NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
553815 | 2lmj | 18119 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 HA2 GLY 1 1.686 0.784 -1.882 3 HA3 GLY 1 HA3 GLY 1 3.111 0.203 -1.034 4 HA PRO 2 HA PRO 2 0.762 -3.680 -2.756 5 HB2 PRO 2 HB2 PRO 2 -1.116 -3.168 -4.648 6 HB3 PRO 2 HB3 PRO 2 -1.492 -3.266 -2.924 7 HG2 PRO 2 HG2 PRO 2 -1.052 -0.848 -4.633 8 HG3 PRO 2 HG3 PRO 2 -2.287 -1.131 -3.392 9 HD2 PRO 2 HD2 PRO 2 -0.058 0.332 -2.922 10 HD3 PRO 2 HD3 PRO 2 -0.841 -0.646 -1.664 11 H LEU 3 H LEU 3 1.256 -0.893 -4.867 12 HA LEU 3 HA LEU 3 2.611 -2.661 -6.796 13 HB2 LEU 3 HB2 LEU 3 2.246 -0.561 -8.311 14 HB3 LEU 3 HB3 LEU 3 0.956 -1.736 -8.066 15 HG LEU 3 HG LEU 3 0.012 -0.211 -6.319 16 HD11 LEU 3 HD11 LEU 3 2.451 1.244 -6.956 17 HD12 LEU 3 HD12 LEU 3 1.390 1.365 -5.553 18 HD13 LEU 3 HD13 LEU 3 1.003 2.249 -7.029 19 HD21 LEU 3 HD21 LEU 3 -1.046 1.248 -7.893 20 HD22 LEU 3 HD22 LEU 3 -0.786 -0.309 -8.679 21 HD23 LEU 3 HD23 LEU 3 0.276 1.051 -9.043 22 H GLY 4 H GLY 4 4.497 -1.768 -7.887 23 HA2 GLY 4 HA2 GLY 4 5.969 0.086 -6.120 24 HA3 GLY 4 HA3 GLY 4 6.720 -1.204 -7.047 25 H SER 5 H SER 5 8.163 0.314 -7.973 26 HA SER 5 HA SER 5 6.917 2.088 -9.970 27 HB2 SER 5 HB2 SER 5 9.288 2.432 -8.196 28 HB3 SER 5 HB3 SER 5 9.361 3.146 -9.806 29 HG SER 5 HG SER 5 8.473 4.541 -8.159 30 HA PRO 6 HA PRO 6 8.917 -0.045 -13.239 31 HB2 PRO 6 HB2 PRO 6 9.663 1.977 -14.890 32 HB3 PRO 6 HB3 PRO 6 7.980 1.479 -14.681 33 HG2 PRO 6 HG2 PRO 6 9.449 3.766 -13.427 34 HG3 PRO 6 HG3 PRO 6 7.812 3.726 -14.108 35 HD2 PRO 6 HD2 PRO 6 8.285 3.586 -11.446 36 HD3 PRO 6 HD3 PRO 6 6.912 2.766 -12.216 37 H GLU 7 H GLU 7 10.697 2.421 -11.545 38 HA GLU 7 HA GLU 7 13.202 1.065 -12.288 39 HB2 GLU 7 HB2 GLU 7 12.557 3.983 -12.289 40 HB3 GLU 7 HB3 GLU 7 14.186 3.478 -11.861 41 HG2 GLU 7 HG2 GLU 7 12.740 2.906 -14.436 42 HG3 GLU 7 HG3 GLU 7 14.091 4.013 -14.200 43 H GLU 8 H GLU 8 13.680 -0.039 -10.485 44 HA GLU 8 HA GLU 8 13.326 1.241 -7.878 45 HB2 GLU 8 HB2 GLU 8 13.757 -0.999 -6.949 46 HB3 GLU 8 HB3 GLU 8 12.427 -1.007 -8.098 47 HG2 GLU 8 HG2 GLU 8 13.967 -1.861 -9.825 48 HG3 GLU 8 HG3 GLU 8 15.243 -1.934 -8.612 49 H THR 9 H THR 9 15.423 2.105 -9.684 50 HA THR 9 HA THR 9 17.845 1.170 -8.310 51 HB THR 9 HB THR 9 17.687 2.867 -10.806 52 HG1 THR 9 HG1 THR 9 18.372 0.128 -10.787 53 HG21 THR 9 HG21 THR 9 19.911 1.494 -9.328 54 HG22 THR 9 HG22 THR 9 19.819 3.162 -9.894 55 HG23 THR 9 HG23 THR 9 20.044 1.850 -11.050 56 H VAL 10 H VAL 10 19.350 2.659 -7.464 57 HA VAL 10 HA VAL 10 18.251 5.345 -6.942 58 HB VAL 10 HB VAL 10 20.058 3.842 -5.054 59 HG11 VAL 10 HG11 VAL 10 18.377 6.329 -4.805 60 HG12 VAL 10 HG12 VAL 10 19.124 5.509 -3.432 61 HG13 VAL 10 HG13 VAL 10 20.133 6.199 -4.705 62 HG21 VAL 10 HG21 VAL 10 18.313 2.522 -4.600 63 HG22 VAL 10 HG22 VAL 10 17.580 3.944 -3.857 64 HG23 VAL 10 HG23 VAL 10 17.202 3.529 -5.529 65 H VAL 11 H VAL 11 19.775 7.058 -6.698 66 HA VAL 11 HA VAL 11 22.453 6.490 -7.781 67 HB VAL 11 HB VAL 11 22.380 8.576 -9.064 68 HG11 VAL 11 HG11 VAL 11 20.077 6.731 -9.692 69 HG12 VAL 11 HG12 VAL 11 20.856 7.838 -10.824 70 HG13 VAL 11 HG13 VAL 11 21.760 6.479 -10.155 71 HG21 VAL 11 HG21 VAL 11 20.750 9.756 -7.639 72 HG22 VAL 11 HG22 VAL 11 20.321 9.820 -9.349 73 HG23 VAL 11 HG23 VAL 11 19.473 8.714 -8.268 74 H ILE 12 H ILE 12 24.130 7.796 -7.037 75 HA ILE 12 HA ILE 12 23.486 9.328 -4.610 76 HB ILE 12 HB ILE 12 26.261 8.438 -5.302 77 HG12 ILE 12 HG12 ILE 12 24.123 6.755 -3.979 78 HG13 ILE 12 HG13 ILE 12 24.915 6.421 -5.516 79 HG21 ILE 12 HG21 ILE 12 25.441 10.005 -3.344 80 HG22 ILE 12 HG22 ILE 12 25.103 8.460 -2.565 81 HG23 ILE 12 HG23 ILE 12 26.739 8.836 -3.104 82 HD11 ILE 12 HD11 ILE 12 27.063 6.214 -4.292 83 HD12 ILE 12 HD12 ILE 12 26.165 6.383 -2.783 84 HD13 ILE 12 HD13 ILE 12 25.857 5.008 -3.843 85 H ALA 13 H ALA 13 23.989 11.437 -4.450 86 HA ALA 13 HA ALA 13 24.766 12.856 -6.817 87 HB1 ALA 13 HB1 ALA 13 23.822 13.568 -4.108 88 HB2 ALA 13 HB2 ALA 13 24.791 14.776 -4.953 89 HB3 ALA 13 HB3 ALA 13 23.308 14.166 -5.686 90 H LEU 14 H LEU 14 26.747 13.424 -7.427 91 HA LEU 14 HA LEU 14 28.994 12.851 -5.685 92 HB2 LEU 14 HB2 LEU 14 29.232 14.049 -8.414 93 HB3 LEU 14 HB3 LEU 14 30.344 12.973 -7.571 94 HG LEU 14 HG LEU 14 27.725 12.225 -8.866 95 HD11 LEU 14 HD11 LEU 14 28.998 11.077 -10.460 96 HD12 LEU 14 HD12 LEU 14 30.471 11.190 -9.496 97 HD13 LEU 14 HD13 LEU 14 29.813 12.630 -10.273 98 HD21 LEU 14 HD21 LEU 14 28.940 9.885 -8.215 99 HD22 LEU 14 HD22 LEU 14 27.654 10.643 -7.275 100 HD23 LEU 14 HD23 LEU 14 29.341 10.883 -6.817 101 H TYR 15 H TYR 15 27.322 15.614 -7.019 102 HA TYR 15 HA TYR 15 28.817 17.356 -5.227 103 HB2 TYR 15 HB2 TYR 15 28.517 18.079 -8.143 104 HB3 TYR 15 HB3 TYR 15 29.423 18.948 -6.909 105 HD1 TYR 15 HD2 TYR 15 31.542 17.990 -6.032 106 HD2 TYR 15 HD1 TYR 15 29.475 16.234 -9.310 107 HE1 TYR 15 HE2 TYR 15 33.573 16.742 -6.637 108 HE2 TYR 15 HE1 TYR 15 31.500 14.981 -9.923 109 HH TYR 15 HH TYR 15 34.439 15.158 -7.949 110 H ASP 16 H ASP 16 27.770 19.371 -4.814 111 HA ASP 16 HA ASP 16 24.946 19.177 -4.711 112 HB2 ASP 16 HB2 ASP 16 25.095 21.563 -3.886 113 HB3 ASP 16 HB3 ASP 16 26.039 20.389 -2.973 114 H TYR 17 H TYR 17 23.855 19.176 -6.594 115 HA TYR 17 HA TYR 17 24.561 21.040 -8.708 116 HB2 TYR 17 HB2 TYR 17 24.013 18.822 -9.433 117 HB3 TYR 17 HB3 TYR 17 22.505 18.835 -8.525 118 HD1 TYR 17 HD1 TYR 17 24.235 20.619 -11.308 119 HD2 TYR 17 HD2 TYR 17 20.530 19.404 -9.605 120 HE1 TYR 17 HE1 TYR 17 23.053 21.454 -13.297 121 HE2 TYR 17 HE2 TYR 17 19.338 20.234 -11.590 122 HH TYR 17 HH TYR 17 20.128 20.618 -14.184 123 H GLN 18 H GLN 18 23.180 22.623 -9.539 124 HA GLN 18 HA GLN 18 20.813 23.280 -7.932 125 HB2 GLN 18 HB2 GLN 18 23.170 25.036 -8.521 126 HB3 GLN 18 HB3 GLN 18 21.576 25.748 -8.305 127 HG2 GLN 18 HG2 GLN 18 21.920 25.741 -6.125 128 HG3 GLN 18 HG3 GLN 18 21.918 23.979 -6.165 129 HE21 GLN 18 HE21 GLN 18 24.120 26.643 -6.981 130 HE22 GLN 18 HE22 GLN 18 25.515 25.941 -6.242 131 H THR 19 H THR 19 19.080 23.823 -9.106 132 HA THR 19 HA THR 19 19.414 24.044 -12.006 133 HB THR 19 HB THR 19 17.828 22.362 -11.357 134 HG1 THR 19 HG1 THR 19 15.811 23.563 -12.196 135 HG21 THR 19 HG21 THR 19 15.692 23.177 -10.155 136 HG22 THR 19 HG22 THR 19 16.685 24.541 -9.640 137 HG23 THR 19 HG23 THR 19 17.142 22.898 -9.191 138 H ASN 20 H ASN 20 18.048 25.596 -13.181 139 HA ASN 20 HA ASN 20 18.017 28.166 -11.783 140 HB2 ASN 20 HB2 ASN 20 18.075 27.376 -14.684 141 HB3 ASN 20 HB3 ASN 20 17.623 29.009 -14.204 142 HD21 ASN 20 HD21 ASN 20 20.143 26.991 -15.003 143 HD22 ASN 20 HD22 ASN 20 21.455 27.958 -14.430 144 H ASP 21 H ASP 21 15.915 25.811 -13.201 145 HA ASP 21 HA ASP 21 13.612 27.556 -12.620 146 HB2 ASP 21 HB2 ASP 21 14.169 25.793 -14.962 147 HB3 ASP 21 HB3 ASP 21 12.504 25.933 -14.406 148 HA PRO 22 HA PRO 22 12.009 24.464 -9.956 149 HB2 PRO 22 HB2 PRO 22 9.345 24.573 -10.468 150 HB3 PRO 22 HB3 PRO 22 10.207 25.844 -9.594 151 HG2 PRO 22 HG2 PRO 22 9.386 25.745 -12.471 152 HG3 PRO 22 HG3 PRO 22 9.287 27.095 -11.325 153 HD2 PRO 22 HD2 PRO 22 11.258 26.893 -13.171 154 HD3 PRO 22 HD3 PRO 22 11.512 27.640 -11.580 155 H GLN 23 H GLN 23 11.564 24.175 -13.354 156 HA GLN 23 HA GLN 23 10.125 21.783 -13.527 157 HB2 GLN 23 HB2 GLN 23 10.905 23.446 -15.379 158 HB3 GLN 23 HB3 GLN 23 12.338 22.428 -15.446 159 HG2 GLN 23 HG2 GLN 23 11.058 20.526 -16.070 160 HG3 GLN 23 HG3 GLN 23 9.542 21.368 -15.749 161 HE21 GLN 23 HE21 GLN 23 8.992 20.730 -17.927 162 HE22 GLN 23 HE22 GLN 23 9.539 21.686 -19.258 163 H GLU 24 H GLU 24 13.555 22.391 -13.019 164 HA GLU 24 HA GLU 24 14.032 19.497 -12.852 165 HB2 GLU 24 HB2 GLU 24 16.174 21.607 -12.824 166 HB3 GLU 24 HB3 GLU 24 16.313 19.909 -13.258 167 HG2 GLU 24 HG2 GLU 24 14.499 20.839 -15.085 168 HG3 GLU 24 HG3 GLU 24 15.591 22.209 -14.891 169 H LEU 25 H LEU 25 15.595 18.805 -11.139 170 HA LEU 25 HA LEU 25 14.990 20.219 -8.630 171 HB2 LEU 25 HB2 LEU 25 14.829 17.469 -9.401 172 HB3 LEU 25 HB3 LEU 25 15.995 17.638 -8.090 173 HG LEU 25 HG LEU 25 14.327 18.585 -6.648 174 HD11 LEU 25 HD11 LEU 25 12.877 18.947 -9.171 175 HD12 LEU 25 HD12 LEU 25 12.817 19.883 -7.678 176 HD13 LEU 25 HD13 LEU 25 11.888 18.391 -7.821 177 HD21 LEU 25 HD21 LEU 25 14.196 15.978 -7.732 178 HD22 LEU 25 HD22 LEU 25 12.539 16.529 -7.483 179 HD23 LEU 25 HD23 LEU 25 13.680 16.527 -6.137 180 H ALA 26 H ALA 26 16.694 19.784 -6.883 181 HA ALA 26 HA ALA 26 19.354 20.209 -8.076 182 HB1 ALA 26 HB1 ALA 26 19.297 22.105 -6.903 183 HB2 ALA 26 HB2 ALA 26 17.900 21.578 -5.964 184 HB3 ALA 26 HB3 ALA 26 19.524 21.098 -5.472 185 H LEU 27 H LEU 27 21.162 19.206 -7.157 186 HA LEU 27 HA LEU 27 20.524 16.810 -5.583 187 HB2 LEU 27 HB2 LEU 27 22.987 17.413 -7.211 188 HB3 LEU 27 HB3 LEU 27 22.606 15.887 -6.417 189 HG LEU 27 HG LEU 27 20.945 17.061 -8.640 190 HD11 LEU 27 HD11 LEU 27 22.869 16.657 -9.807 191 HD12 LEU 27 HD12 LEU 27 22.124 15.061 -9.874 192 HD13 LEU 27 HD13 LEU 27 23.405 15.388 -8.706 193 HD21 LEU 27 HD21 LEU 27 20.325 14.575 -8.802 194 HD22 LEU 27 HD22 LEU 27 19.639 15.517 -7.479 195 HD23 LEU 27 HD23 LEU 27 21.005 14.442 -7.180 196 H ARG 28 H ARG 28 22.083 16.119 -3.952 197 HA ARG 28 HA ARG 28 23.605 18.344 -2.774 198 HB2 ARG 28 HB2 ARG 28 21.514 16.624 -1.520 199 HB3 ARG 28 HB3 ARG 28 22.882 17.122 -0.534 200 HG2 ARG 28 HG2 ARG 28 21.232 19.094 -2.079 201 HG3 ARG 28 HG3 ARG 28 20.800 18.569 -0.451 202 HD2 ARG 28 HD2 ARG 28 22.945 19.352 0.388 203 HD3 ARG 28 HD3 ARG 28 23.424 19.828 -1.240 204 HE ARG 28 HE ARG 28 22.154 21.724 -1.026 205 HH11 ARG 28 HH11 ARG 28 21.309 19.480 1.497 206 HH12 ARG 28 HH12 ARG 28 20.317 20.615 2.353 207 HH21 ARG 28 HH21 ARG 28 20.851 23.227 0.090 208 HH22 ARG 28 HH22 ARG 28 20.057 22.745 1.551 209 H ARG 29 H ARG 29 25.641 17.849 -2.260 210 HA ARG 29 HA ARG 29 26.902 15.521 -3.003 211 HB2 ARG 29 HB2 ARG 29 27.905 17.782 -2.286 212 HB3 ARG 29 HB3 ARG 29 27.849 17.140 -0.650 213 HG2 ARG 29 HG2 ARG 29 29.309 15.321 -1.269 214 HG3 ARG 29 HG3 ARG 29 29.295 15.849 -2.953 215 HD2 ARG 29 HD2 ARG 29 31.252 16.803 -2.262 216 HD3 ARG 29 HD3 ARG 29 30.132 18.112 -1.890 217 HE ARG 29 HE ARG 29 30.367 16.419 0.344 218 HH11 ARG 29 HH11 ARG 29 32.195 18.763 -1.468 219 HH12 ARG 29 HH12 ARG 29 33.153 19.258 -0.112 220 HH21 ARG 29 HH21 ARG 29 31.622 17.062 2.138 221 HH22 ARG 29 HH22 ARG 29 32.827 18.289 1.939 222 H ASN 30 H ASN 30 27.322 13.571 -2.099 223 HA ASN 30 HA ASN 30 27.082 11.762 -0.742 224 HB2 ASN 30 HB2 ASN 30 27.383 14.009 1.218 225 HB3 ASN 30 HB3 ASN 30 27.001 12.393 1.806 226 HD21 ASN 30 HD21 ASN 30 28.919 12.024 2.816 227 HD22 ASN 30 HD22 ASN 30 30.420 11.849 1.979 228 H GLU 31 H GLU 31 24.807 12.232 -1.940 229 HA GLU 31 HA GLU 31 22.813 11.624 0.102 230 HB2 GLU 31 HB2 GLU 31 22.774 14.117 -0.491 231 HB3 GLU 31 HB3 GLU 31 22.175 13.615 -2.065 232 HG2 GLU 31 HG2 GLU 31 20.241 14.105 -0.909 233 HG3 GLU 31 HG3 GLU 31 20.368 12.356 -0.734 234 H GLU 32 H GLU 32 21.026 10.431 -0.665 235 HA GLU 32 HA GLU 32 21.535 9.116 -3.241 236 HB2 GLU 32 HB2 GLU 32 20.329 8.238 -0.666 237 HB3 GLU 32 HB3 GLU 32 19.708 7.513 -2.142 238 HG2 GLU 32 HG2 GLU 32 21.653 6.414 -2.591 239 HG3 GLU 32 HG3 GLU 32 22.649 7.606 -1.759 240 H TYR 33 H TYR 33 19.803 8.686 -4.678 241 HA TYR 33 HA TYR 33 17.304 10.131 -4.213 242 HB2 TYR 33 HB2 TYR 33 19.106 10.556 -6.603 243 HB3 TYR 33 HB3 TYR 33 17.434 11.101 -6.523 244 HD1 TYR 33 HD1 TYR 33 16.792 12.926 -5.015 245 HD2 TYR 33 HD2 TYR 33 20.848 11.698 -5.394 246 HE1 TYR 33 HE1 TYR 33 17.519 15.015 -3.937 247 HE2 TYR 33 HE2 TYR 33 21.586 13.783 -4.317 248 HH TYR 33 HH TYR 33 19.667 15.725 -2.562 249 H CYS 34 H CYS 34 15.603 8.960 -4.808 250 HA CYS 34 HA CYS 34 15.910 6.375 -5.929 251 HB2 CYS 34 HB2 CYS 34 13.889 7.791 -4.583 252 HB3 CYS 34 HB3 CYS 34 13.204 7.358 -6.145 253 HG CYS 34 HG CYS 34 12.336 5.339 -4.592 254 H LEU 35 H LEU 35 16.583 6.165 -7.976 255 HA LEU 35 HA LEU 35 16.062 7.998 -10.053 256 HB2 LEU 35 HB2 LEU 35 17.838 6.069 -9.780 257 HB3 LEU 35 HB3 LEU 35 16.623 5.136 -10.651 258 HG LEU 35 HG LEU 35 18.352 6.016 -12.143 259 HD11 LEU 35 HD11 LEU 35 16.072 7.665 -12.967 260 HD12 LEU 35 HD12 LEU 35 15.673 5.996 -12.563 261 HD13 LEU 35 HD13 LEU 35 16.880 6.338 -13.803 262 HD21 LEU 35 HD21 LEU 35 19.177 8.057 -11.882 263 HD22 LEU 35 HD22 LEU 35 18.021 8.362 -10.585 264 HD23 LEU 35 HD23 LEU 35 17.599 8.753 -12.253 265 H LEU 36 H LEU 36 14.445 8.171 -11.492 266 HA LEU 36 HA LEU 36 12.334 6.116 -11.421 267 HB2 LEU 36 HB2 LEU 36 11.950 9.036 -12.042 268 HB3 LEU 36 HB3 LEU 36 10.699 7.818 -11.800 269 HG LEU 36 HG LEU 36 12.497 8.232 -9.507 270 HD11 LEU 36 HD11 LEU 36 11.919 10.357 -8.932 271 HD12 LEU 36 HD12 LEU 36 10.412 10.317 -9.847 272 HD13 LEU 36 HD13 LEU 36 11.947 10.535 -10.687 273 HD21 LEU 36 HD21 LEU 36 10.042 7.061 -9.999 274 HD22 LEU 36 HD22 LEU 36 9.635 8.544 -9.136 275 HD23 LEU 36 HD23 LEU 36 10.750 7.382 -8.416 276 H ASP 37 H ASP 37 13.799 8.637 -13.461 277 HA ASP 37 HA ASP 37 13.381 6.879 -15.779 278 HB2 ASP 37 HB2 ASP 37 11.956 9.222 -15.361 279 HB3 ASP 37 HB3 ASP 37 13.246 9.713 -16.455 280 H SER 38 H SER 38 15.225 6.463 -16.786 281 HA SER 38 HA SER 38 17.356 8.491 -16.743 282 HB2 SER 38 HB2 SER 38 18.935 6.416 -16.677 283 HB3 SER 38 HB3 SER 38 18.202 6.982 -15.176 284 HG SER 38 HG SER 38 17.776 4.648 -16.589 285 H SER 39 H SER 39 16.679 9.065 -18.862 286 HA SER 39 HA SER 39 16.864 7.055 -20.954 287 HB2 SER 39 HB2 SER 39 15.177 9.080 -20.762 288 HB3 SER 39 HB3 SER 39 16.489 9.964 -21.541 289 HG SER 39 HG SER 39 16.443 8.328 -23.188 290 H GLU 40 H GLU 40 18.506 10.050 -19.993 291 HA GLU 40 HA GLU 40 21.012 9.112 -20.989 292 HB2 GLU 40 HB2 GLU 40 19.641 10.012 -23.025 293 HB3 GLU 40 HB3 GLU 40 20.055 11.591 -22.373 294 HG2 GLU 40 HG2 GLU 40 22.299 11.336 -22.808 295 HG3 GLU 40 HG3 GLU 40 22.205 9.576 -22.816 296 H ILE 41 H ILE 41 22.745 10.761 -20.697 297 HA ILE 41 HA ILE 41 22.678 11.869 -18.149 298 HB ILE 41 HB ILE 41 24.779 11.386 -19.260 299 HG12 ILE 41 HG12 ILE 41 24.544 14.355 -18.729 300 HG13 ILE 41 HG13 ILE 41 24.697 13.126 -17.479 301 HG21 ILE 41 HG21 ILE 41 23.623 12.738 -21.422 302 HG22 ILE 41 HG22 ILE 41 25.013 13.707 -20.936 303 HG23 ILE 41 HG23 ILE 41 25.226 12.005 -21.346 304 HD11 ILE 41 HD11 ILE 41 26.898 12.665 -18.030 305 HD12 ILE 41 HD12 ILE 41 26.745 13.367 -19.641 306 HD13 ILE 41 HD13 ILE 41 26.789 14.415 -18.224 307 H HIS 42 H HIS 42 21.419 13.090 -21.090 308 HA HIS 42 HA HIS 42 21.561 15.837 -20.761 309 HB2 HIS 42 HB2 HIS 42 19.410 14.111 -21.987 310 HB3 HIS 42 HB3 HIS 42 19.375 15.871 -22.058 311 HD1 HIS 42 HD1 HIS 42 22.639 14.104 -22.421 312 HD2 HIS 42 HD2 HIS 42 19.732 15.816 -24.845 313 HE1 HIS 42 HE1 HIS 42 23.679 14.265 -24.705 314 H TRP 43 H TRP 43 19.105 13.586 -19.527 315 HA TRP 43 HA TRP 43 18.596 15.334 -17.285 316 HB2 TRP 43 HB2 TRP 43 16.184 15.540 -17.698 317 HB3 TRP 43 HB3 TRP 43 17.117 16.300 -18.984 318 HD1 TRP 43 HD1 TRP 43 16.889 15.307 -21.414 319 HE1 TRP 43 HE1 TRP 43 15.303 13.575 -22.466 320 HE3 TRP 43 HE3 TRP 43 14.909 13.319 -17.140 321 HZ2 TRP 43 HZ2 TRP 43 13.456 11.624 -21.599 322 HZ3 TRP 43 HZ3 TRP 43 13.239 11.524 -17.339 323 HH2 TRP 43 HH2 TRP 43 12.528 10.695 -19.522 324 H TRP 44 H TRP 44 18.222 14.138 -15.534 325 HA TRP 44 HA TRP 44 17.224 11.390 -15.913 326 HB2 TRP 44 HB2 TRP 44 19.568 12.410 -14.423 327 HB3 TRP 44 HB3 TRP 44 18.611 11.183 -13.598 328 HD1 TRP 44 HD1 TRP 44 18.946 10.991 -17.385 329 HE1 TRP 44 HE1 TRP 44 20.380 8.942 -17.993 330 HE3 TRP 44 HE3 TRP 44 20.526 9.689 -12.701 331 HZ2 TRP 44 HZ2 TRP 44 21.970 7.027 -16.663 332 HZ3 TRP 44 HZ3 TRP 44 22.002 7.735 -12.455 333 HH2 TRP 44 HH2 TRP 44 22.707 6.433 -14.396 334 H ARG 45 H ARG 45 15.305 11.091 -15.013 335 HA ARG 45 HA ARG 45 14.266 12.966 -13.080 336 HB2 ARG 45 HB2 ARG 45 13.175 11.157 -14.981 337 HB3 ARG 45 HB3 ARG 45 12.558 10.697 -13.400 338 HG2 ARG 45 HG2 ARG 45 12.024 13.214 -13.140 339 HG3 ARG 45 HG3 ARG 45 12.194 13.256 -14.896 340 HD2 ARG 45 HD2 ARG 45 10.400 11.788 -15.219 341 HD3 ARG 45 HD3 ARG 45 10.436 11.237 -13.545 342 HE ARG 45 HE ARG 45 9.862 13.947 -13.485 343 HH11 ARG 45 HH11 ARG 45 8.421 11.031 -14.726 344 HH12 ARG 45 HH12 ARG 45 6.797 11.614 -14.574 345 HH21 ARG 45 HH21 ARG 45 7.728 14.726 -13.281 346 HH22 ARG 45 HH22 ARG 45 6.403 13.716 -13.753 347 H VAL 46 H VAL 46 14.671 12.787 -10.985 348 HA VAL 46 HA VAL 46 14.766 10.099 -9.789 349 HB VAL 46 HB VAL 46 16.548 10.761 -8.299 350 HG11 VAL 46 HG11 VAL 46 18.144 10.261 -9.785 351 HG12 VAL 46 HG12 VAL 46 16.843 10.255 -10.978 352 HG13 VAL 46 HG13 VAL 46 17.824 11.703 -10.749 353 HG21 VAL 46 HG21 VAL 46 17.700 12.934 -8.587 354 HG22 VAL 46 HG22 VAL 46 16.434 13.424 -9.713 355 HG23 VAL 46 HG23 VAL 46 16.037 13.104 -8.025 356 H GLN 47 H GLN 47 14.557 10.245 -7.333 357 HA GLN 47 HA GLN 47 12.725 12.417 -6.574 358 HB2 GLN 47 HB2 GLN 47 11.318 10.532 -7.037 359 HB3 GLN 47 HB3 GLN 47 12.361 9.456 -6.116 360 HG2 GLN 47 HG2 GLN 47 11.652 10.324 -4.072 361 HG3 GLN 47 HG3 GLN 47 10.982 11.774 -4.817 362 HE21 GLN 47 HE21 GLN 47 8.879 11.737 -4.450 363 HE22 GLN 47 HE22 GLN 47 7.826 10.398 -4.734 364 H ASP 48 H ASP 48 13.023 13.265 -4.585 365 HA ASP 48 HA ASP 48 15.400 12.519 -3.148 366 HB2 ASP 48 HB2 ASP 48 14.739 14.400 -1.630 367 HB3 ASP 48 HB3 ASP 48 14.892 14.863 -3.322 368 H ARG 49 H ARG 49 14.922 12.817 -0.543 369 HA ARG 49 HA ARG 49 13.329 10.452 0.082 370 HB2 ARG 49 HB2 ARG 49 15.223 12.031 1.832 371 HB3 ARG 49 HB3 ARG 49 14.466 10.499 2.249 372 HG2 ARG 49 HG2 ARG 49 16.436 10.947 0.015 373 HG3 ARG 49 HG3 ARG 49 16.779 10.188 1.571 374 HD2 ARG 49 HD2 ARG 49 14.772 9.164 -0.432 375 HD3 ARG 49 HD3 ARG 49 16.424 8.569 -0.279 376 HE ARG 49 HE ARG 49 14.202 7.926 1.400 377 HH11 ARG 49 HH11 ARG 49 17.664 8.275 1.309 378 HH12 ARG 49 HH12 ARG 49 17.940 7.183 2.626 379 HH21 ARG 49 HH21 ARG 49 14.551 6.486 3.135 380 HH22 ARG 49 HH22 ARG 49 16.169 6.166 3.663 381 H ASN 50 H ASN 50 12.198 13.168 -0.509 382 HA ASN 50 HA ASN 50 10.754 13.569 2.029 383 HB2 ASN 50 HB2 ASN 50 11.153 15.607 -0.171 384 HB3 ASN 50 HB3 ASN 50 10.414 15.883 1.403 385 HD21 ASN 50 HD21 ASN 50 13.419 15.025 -0.208 386 HD22 ASN 50 HD22 ASN 50 14.467 15.634 1.023 387 H GLY 51 H GLY 51 10.523 12.966 -1.378 388 HA2 GLY 51 HA2 GLY 51 8.500 11.711 -2.041 389 HA3 GLY 51 HA3 GLY 51 7.580 12.888 -1.115 390 H HIS 52 H HIS 52 10.249 14.064 -2.935 391 HA HIS 52 HA HIS 52 8.390 15.085 -4.981 392 HB2 HIS 52 HB2 HIS 52 10.894 16.504 -4.083 393 HB3 HIS 52 HB3 HIS 52 9.559 17.152 -5.032 394 HD1 HIS 52 HD1 HIS 52 10.815 16.952 -1.643 395 HD2 HIS 52 HD2 HIS 52 7.091 17.389 -3.433 396 HE1 HIS 52 HE1 HIS 52 9.301 17.833 0.161 397 H GLU 53 H GLU 53 9.049 15.088 -7.107 398 HA GLU 53 HA GLU 53 11.629 13.778 -7.667 399 HB2 GLU 53 HB2 GLU 53 9.175 13.451 -9.383 400 HB3 GLU 53 HB3 GLU 53 10.657 12.506 -9.414 401 HG2 GLU 53 HG2 GLU 53 9.414 11.030 -8.271 402 HG3 GLU 53 HG3 GLU 53 9.875 12.030 -6.895 403 H GLY 54 H GLY 54 12.824 14.537 -9.386 404 HA2 GLY 54 HA2 GLY 54 11.726 16.576 -11.137 405 HA3 GLY 54 HA3 GLY 54 12.958 17.141 -10.018 406 H TYR 55 H TYR 55 13.739 17.602 -12.391 407 HA TYR 55 HA TYR 55 15.155 15.291 -13.489 408 HB2 TYR 55 HB2 TYR 55 14.762 18.088 -14.569 409 HB3 TYR 55 HB3 TYR 55 15.668 16.822 -15.390 410 HD1 TYR 55 HD1 TYR 55 12.298 17.761 -14.169 411 HD2 TYR 55 HD2 TYR 55 14.563 15.183 -16.684 412 HE1 TYR 55 HE1 TYR 55 10.219 16.962 -15.213 413 HE2 TYR 55 HE2 TYR 55 12.490 14.378 -17.735 414 HH TYR 55 HH TYR 55 9.328 15.699 -16.812 415 H VAL 56 H VAL 56 17.357 15.141 -13.608 416 HA VAL 56 HA VAL 56 19.030 17.346 -12.738 417 HB VAL 56 HB VAL 56 20.228 15.790 -11.096 418 HG11 VAL 56 HG11 VAL 56 17.460 16.753 -10.383 419 HG12 VAL 56 HG12 VAL 56 18.786 16.450 -9.259 420 HG13 VAL 56 HG13 VAL 56 18.908 17.757 -10.437 421 HG21 VAL 56 HG21 VAL 56 19.149 13.713 -11.729 422 HG22 VAL 56 HG22 VAL 56 18.800 14.082 -10.040 423 HG23 VAL 56 HG23 VAL 56 17.574 14.365 -11.276 424 HA PRO 57 HA PRO 57 21.901 15.588 -15.554 425 HB2 PRO 57 HB2 PRO 57 24.266 16.317 -14.438 426 HB3 PRO 57 HB3 PRO 57 23.187 17.466 -15.238 427 HG2 PRO 57 HG2 PRO 57 23.525 16.903 -12.317 428 HG3 PRO 57 HG3 PRO 57 23.360 18.463 -13.144 429 HD2 PRO 57 HD2 PRO 57 21.295 17.266 -11.864 430 HD3 PRO 57 HD3 PRO 57 21.068 18.276 -13.306 431 H SER 58 H SER 58 22.615 13.577 -15.866 432 HA SER 58 HA SER 58 22.882 11.750 -13.687 433 HB2 SER 58 HB2 SER 58 22.882 10.095 -15.277 434 HB3 SER 58 HB3 SER 58 22.173 11.394 -16.236 435 HG SER 58 HG SER 58 24.382 10.052 -16.734 436 H SER 59 H SER 59 25.082 13.628 -15.624 437 HA SER 59 HA SER 59 27.464 12.249 -15.209 438 HB2 SER 59 HB2 SER 59 28.032 13.925 -16.597 439 HB3 SER 59 HB3 SER 59 26.679 14.922 -16.062 440 HG SER 59 HG SER 59 29.236 15.231 -15.493 441 H TYR 60 H TYR 60 25.563 14.116 -13.022 442 HA TYR 60 HA TYR 60 27.739 14.113 -11.044 443 HB2 TYR 60 HB2 TYR 60 25.158 15.692 -11.084 444 HB3 TYR 60 HB3 TYR 60 26.380 15.779 -9.821 445 HD1 TYR 60 HD2 TYR 60 26.023 16.200 -13.514 446 HD2 TYR 60 HD1 TYR 60 28.007 17.421 -9.954 447 HE1 TYR 60 HE2 TYR 60 27.193 17.958 -14.776 448 HE2 TYR 60 HE1 TYR 60 29.181 19.183 -11.205 449 HH TYR 60 HH TYR 60 28.615 19.655 -14.682 450 H LEU 61 H LEU 61 25.875 11.873 -11.862 451 HA LEU 61 HA LEU 61 25.069 11.153 -9.137 452 HB2 LEU 61 HB2 LEU 61 23.360 11.135 -11.595 453 HB3 LEU 61 HB3 LEU 61 23.056 9.997 -10.283 454 HG LEU 61 HG LEU 61 23.118 12.977 -9.866 455 HD11 LEU 61 HD11 LEU 61 21.382 12.714 -11.425 456 HD12 LEU 61 HD12 LEU 61 20.590 12.723 -9.850 457 HD13 LEU 61 HD13 LEU 61 20.846 11.199 -10.699 458 HD21 LEU 61 HD21 LEU 61 21.381 11.637 -8.110 459 HD22 LEU 61 HD22 LEU 61 22.927 12.397 -7.734 460 HD23 LEU 61 HD23 LEU 61 22.866 10.687 -8.166 461 H VAL 62 H VAL 62 25.584 9.120 -8.574 462 HA VAL 62 HA VAL 62 26.629 7.355 -10.690 463 HB VAL 62 HB VAL 62 28.263 8.152 -8.943 464 HG11 VAL 62 HG11 VAL 62 26.313 7.658 -7.156 465 HG12 VAL 62 HG12 VAL 62 27.239 6.162 -7.023 466 HG13 VAL 62 HG13 VAL 62 28.026 7.716 -6.741 467 HG21 VAL 62 HG21 VAL 62 29.413 6.109 -8.881 468 HG22 VAL 62 HG22 VAL 62 27.921 5.169 -8.851 469 HG23 VAL 62 HG23 VAL 62 28.406 6.006 -10.326 470 H GLU 63 H GLU 63 25.849 5.325 -10.894 471 HA GLU 63 HA GLU 63 23.356 4.666 -9.762 472 HB2 GLU 63 HB2 GLU 63 25.161 3.549 -11.707 473 HB3 GLU 63 HB3 GLU 63 24.555 2.278 -10.655 474 HG2 GLU 63 HG2 GLU 63 22.372 2.577 -11.318 475 HG3 GLU 63 HG3 GLU 63 22.649 4.237 -11.844 476 H LYS 64 H LYS 64 22.971 4.083 -7.740 477 HA LYS 64 HA LYS 64 25.019 3.157 -5.981 478 HB2 LYS 64 HB2 LYS 64 23.109 4.528 -5.217 479 HB3 LYS 64 HB3 LYS 64 22.020 3.198 -5.588 480 HG2 LYS 64 HG2 LYS 64 22.556 2.063 -3.723 481 HG3 LYS 64 HG3 LYS 64 24.256 2.532 -3.797 482 HD2 LYS 64 HD2 LYS 64 23.764 4.688 -2.867 483 HD3 LYS 64 HD3 LYS 64 22.027 4.390 -2.973 484 HE2 LYS 64 HE2 LYS 64 23.811 2.595 -1.366 485 HE3 LYS 64 HE3 LYS 64 23.203 4.106 -0.693 486 HZ1 LYS 64 HZ1 LYS 64 21.566 2.683 -0.052 487 HZ2 LYS 64 HZ2 LYS 64 21.749 1.662 -1.388 488 HZ3 LYS 64 HZ3 LYS 64 20.940 3.138 -1.556 489 H SER 65 H SER 65 25.831 1.236 -6.820 490 HA SER 65 HA SER 65 24.033 -1.077 -6.536 491 HB2 SER 65 HB2 SER 65 25.345 -2.151 -8.415 492 HB3 SER 65 HB3 SER 65 24.309 -0.808 -8.899 493 HG SER 65 HG SER 65 26.060 0.005 -9.713 494 HA PRO 66 HA PRO 66 27.815 -1.512 -3.870 495 HB2 PRO 66 HB2 PRO 66 26.451 -2.294 -1.656 496 HB3 PRO 66 HB3 PRO 66 26.740 -0.597 -2.057 497 HG2 PRO 66 HG2 PRO 66 24.291 -2.258 -2.504 498 HG3 PRO 66 HG3 PRO 66 24.419 -0.590 -1.916 499 HD2 PRO 66 HD2 PRO 66 23.775 -1.186 -4.477 500 HD3 PRO 66 HD3 PRO 66 24.690 0.270 -4.037 Start of MODEL 2 1 H1 GLY 1 H GLY 1 0.207 -1.094 -1.286 2 HA2 GLY 1 HA2 GLY 1 2.943 -0.851 -2.331 3 HA3 GLY 1 HA3 GLY 1 2.174 -2.343 -1.813 4 HA PRO 2 HA PRO 2 0.307 -1.281 -6.154 5 HB2 PRO 2 HB2 PRO 2 1.526 0.716 -7.530 6 HB3 PRO 2 HB3 PRO 2 0.156 0.992 -6.448 7 HG2 PRO 2 HG2 PRO 2 3.079 1.385 -5.940 8 HG3 PRO 2 HG3 PRO 2 1.717 2.432 -5.501 9 HD2 PRO 2 HD2 PRO 2 2.903 0.763 -3.729 10 HD3 PRO 2 HD3 PRO 2 1.175 1.163 -3.654 11 H LEU 3 H LEU 3 1.132 -3.163 -6.932 12 HA LEU 3 HA LEU 3 3.796 -3.817 -7.332 13 HB2 LEU 3 HB2 LEU 3 1.260 -4.949 -7.915 14 HB3 LEU 3 HB3 LEU 3 2.248 -5.057 -9.371 15 HG LEU 3 HG LEU 3 2.318 -7.076 -7.907 16 HD11 LEU 3 HD11 LEU 3 4.289 -5.927 -9.380 17 HD12 LEU 3 HD12 LEU 3 4.389 -7.523 -8.636 18 HD13 LEU 3 HD13 LEU 3 5.088 -6.125 -7.820 19 HD21 LEU 3 HD21 LEU 3 2.557 -5.277 -5.856 20 HD22 LEU 3 HD22 LEU 3 4.209 -5.869 -6.038 21 HD23 LEU 3 HD23 LEU 3 2.892 -7.005 -5.747 22 H GLY 4 H GLY 4 5.253 -2.818 -8.550 23 HA2 GLY 4 HA2 GLY 4 6.153 -2.345 -10.706 24 HA3 GLY 4 HA3 GLY 4 4.518 -2.095 -11.300 25 H SER 5 H SER 5 7.252 -0.664 -9.730 26 HA SER 5 HA SER 5 6.024 1.977 -10.099 27 HB2 SER 5 HB2 SER 5 7.755 2.097 -7.830 28 HB3 SER 5 HB3 SER 5 6.023 2.420 -7.905 29 HG SER 5 HG SER 5 5.622 0.499 -7.111 30 HA PRO 6 HA PRO 6 9.816 3.194 -11.935 31 HB2 PRO 6 HB2 PRO 6 10.093 5.753 -11.071 32 HB3 PRO 6 HB3 PRO 6 8.883 5.267 -12.265 33 HG2 PRO 6 HG2 PRO 6 8.562 5.736 -9.326 34 HG3 PRO 6 HG3 PRO 6 7.504 6.232 -10.659 35 HD2 PRO 6 HD2 PRO 6 6.981 4.074 -9.109 36 HD3 PRO 6 HD3 PRO 6 6.527 4.151 -10.824 37 H GLU 7 H GLU 7 9.506 3.420 -8.478 38 HA GLU 7 HA GLU 7 12.248 4.045 -7.953 39 HB2 GLU 7 HB2 GLU 7 10.106 2.902 -6.152 40 HB3 GLU 7 HB3 GLU 7 11.683 3.459 -5.610 41 HG2 GLU 7 HG2 GLU 7 10.994 5.691 -6.740 42 HG3 GLU 7 HG3 GLU 7 9.360 5.041 -6.611 43 H GLU 8 H GLU 8 13.333 2.468 -9.245 44 HA GLU 8 HA GLU 8 13.352 -0.217 -8.030 45 HB2 GLU 8 HB2 GLU 8 13.936 -1.145 -10.195 46 HB3 GLU 8 HB3 GLU 8 12.441 -0.229 -10.323 47 HG2 GLU 8 HG2 GLU 8 13.820 1.696 -11.168 48 HG3 GLU 8 HG3 GLU 8 15.178 0.575 -11.260 49 H THR 9 H THR 9 15.232 2.411 -9.390 50 HA THR 9 HA THR 9 17.645 1.223 -8.187 51 HB THR 9 HB THR 9 17.636 2.885 -10.711 52 HG1 THR 9 HG1 THR 9 18.211 0.758 -11.648 53 HG21 THR 9 HG21 THR 9 19.952 1.469 -10.687 54 HG22 THR 9 HG22 THR 9 19.712 1.746 -8.962 55 HG23 THR 9 HG23 THR 9 19.789 3.113 -10.072 56 H VAL 10 H VAL 10 19.172 2.687 -7.325 57 HA VAL 10 HA VAL 10 18.119 5.402 -6.860 58 HB VAL 10 HB VAL 10 19.882 3.894 -4.935 59 HG11 VAL 10 HG11 VAL 10 19.997 6.239 -4.587 60 HG12 VAL 10 HG12 VAL 10 18.249 6.417 -4.753 61 HG13 VAL 10 HG13 VAL 10 18.924 5.595 -3.345 62 HG21 VAL 10 HG21 VAL 10 17.040 3.592 -5.451 63 HG22 VAL 10 HG22 VAL 10 18.119 2.609 -4.461 64 HG23 VAL 10 HG23 VAL 10 17.376 4.058 -3.784 65 H VAL 11 H VAL 11 19.673 7.091 -6.605 66 HA VAL 11 HA VAL 11 22.349 6.469 -7.661 67 HB VAL 11 HB VAL 11 22.325 8.545 -8.960 68 HG11 VAL 11 HG11 VAL 11 20.774 7.831 -10.719 69 HG12 VAL 11 HG12 VAL 11 21.680 6.469 -10.057 70 HG13 VAL 11 HG13 VAL 11 20.001 6.726 -9.583 71 HG21 VAL 11 HG21 VAL 11 19.432 8.746 -8.129 72 HG22 VAL 11 HG22 VAL 11 20.736 9.804 -7.592 73 HG23 VAL 11 HG23 VAL 11 20.251 9.795 -9.287 74 H ILE 12 H ILE 12 24.036 7.824 -6.965 75 HA ILE 12 HA ILE 12 23.400 9.359 -4.535 76 HB ILE 12 HB ILE 12 26.163 8.414 -5.202 77 HG12 ILE 12 HG12 ILE 12 23.993 6.792 -3.855 78 HG13 ILE 12 HG13 ILE 12 24.777 6.420 -5.387 79 HG21 ILE 12 HG21 ILE 12 24.954 8.546 -2.479 80 HG22 ILE 12 HG22 ILE 12 26.628 8.783 -2.980 81 HG23 ILE 12 HG23 ILE 12 25.429 10.038 -3.291 82 HD11 ILE 12 HD11 ILE 12 26.896 6.102 -4.221 83 HD12 ILE 12 HD12 ILE 12 26.105 6.470 -2.688 84 HD13 ILE 12 HD13 ILE 12 25.641 5.033 -3.598 85 H ALA 13 H ALA 13 23.936 11.461 -4.390 86 HA ALA 13 HA ALA 13 24.732 12.853 -6.761 87 HB1 ALA 13 HB1 ALA 13 24.816 14.781 -4.910 88 HB2 ALA 13 HB2 ALA 13 23.310 14.193 -5.617 89 HB3 ALA 13 HB3 ALA 13 23.837 13.597 -4.043 90 H LEU 14 H LEU 14 26.707 13.465 -7.373 91 HA LEU 14 HA LEU 14 28.962 12.838 -5.643 92 HB2 LEU 14 HB2 LEU 14 29.212 13.970 -8.398 93 HB3 LEU 14 HB3 LEU 14 30.299 12.882 -7.538 94 HG LEU 14 HG LEU 14 27.661 12.183 -8.820 95 HD11 LEU 14 HD11 LEU 14 30.083 10.698 -9.506 96 HD12 LEU 14 HD12 LEU 14 30.135 12.403 -9.952 97 HD13 LEU 14 HD13 LEU 14 28.830 11.377 -10.546 98 HD21 LEU 14 HD21 LEU 14 27.952 10.987 -6.694 99 HD22 LEU 14 HD22 LEU 14 29.527 10.413 -7.243 100 HD23 LEU 14 HD23 LEU 14 28.061 9.906 -8.083 101 H TYR 15 H TYR 15 27.317 15.597 -7.008 102 HA TYR 15 HA TYR 15 28.870 17.352 -5.280 103 HB2 TYR 15 HB2 TYR 15 28.535 18.010 -8.208 104 HB3 TYR 15 HB3 TYR 15 29.464 18.903 -7.009 105 HD1 TYR 15 HD2 TYR 15 31.583 17.943 -6.128 106 HD2 TYR 15 HD1 TYR 15 29.464 16.134 -9.344 107 HE1 TYR 15 HE2 TYR 15 33.596 16.661 -6.726 108 HE2 TYR 15 HE1 TYR 15 31.470 14.846 -9.949 109 HH TYR 15 HH TYR 15 33.842 14.890 -9.666 110 H ASP 16 H ASP 16 27.849 19.360 -4.847 111 HA ASP 16 HA ASP 16 25.027 19.220 -4.715 112 HB2 ASP 16 HB2 ASP 16 25.217 21.605 -3.914 113 HB3 ASP 16 HB3 ASP 16 26.179 20.437 -3.012 114 H TYR 17 H TYR 17 23.997 19.136 -6.652 115 HA TYR 17 HA TYR 17 24.675 20.979 -8.779 116 HB2 TYR 17 HB2 TYR 17 24.075 18.763 -9.460 117 HB3 TYR 17 HB3 TYR 17 22.583 18.815 -8.527 118 HD1 TYR 17 HD1 TYR 17 24.290 20.555 -11.354 119 HD2 TYR 17 HD2 TYR 17 20.602 19.366 -9.597 120 HE1 TYR 17 HE1 TYR 17 23.087 21.376 -13.337 121 HE2 TYR 17 HE2 TYR 17 19.389 20.182 -11.575 122 HH TYR 17 HH TYR 17 19.606 21.562 -13.427 123 H GLN 18 H GLN 18 23.314 22.572 -9.626 124 HA GLN 18 HA GLN 18 20.963 23.295 -8.031 125 HB2 GLN 18 HB2 GLN 18 23.394 24.958 -8.530 126 HB3 GLN 18 HB3 GLN 18 21.828 25.752 -8.447 127 HG2 GLN 18 HG2 GLN 18 21.528 24.544 -6.221 128 HG3 GLN 18 HG3 GLN 18 23.256 24.208 -6.314 129 HE21 GLN 18 HE21 GLN 18 24.720 25.959 -6.278 130 HE22 GLN 18 HE22 GLN 18 24.268 27.485 -5.607 131 H THR 19 H THR 19 19.257 23.684 -9.272 132 HA THR 19 HA THR 19 19.630 23.955 -12.149 133 HB THR 19 HB THR 19 17.987 22.328 -11.488 134 HG1 THR 19 HG1 THR 19 17.401 23.471 -13.336 135 HG21 THR 19 HG21 THR 19 17.046 24.518 -9.716 136 HG22 THR 19 HG22 THR 19 17.150 22.784 -9.413 137 HG23 THR 19 HG23 THR 19 15.829 23.432 -10.384 138 H ASN 20 H ASN 20 18.313 25.529 -13.356 139 HA ASN 20 HA ASN 20 18.353 28.118 -11.994 140 HB2 ASN 20 HB2 ASN 20 18.411 27.281 -14.880 141 HB3 ASN 20 HB3 ASN 20 17.988 28.931 -14.434 142 HD21 ASN 20 HD21 ASN 20 20.495 26.632 -14.793 143 HD22 ASN 20 HD22 ASN 20 21.812 27.668 -14.373 144 H ASP 21 H ASP 21 16.186 25.807 -13.384 145 HA ASP 21 HA ASP 21 13.936 27.631 -12.844 146 HB2 ASP 21 HB2 ASP 21 14.443 25.801 -15.147 147 HB3 ASP 21 HB3 ASP 21 12.781 26.019 -14.604 148 HA PRO 22 HA PRO 22 12.231 24.639 -10.129 149 HB2 PRO 22 HB2 PRO 22 9.573 24.824 -10.649 150 HB3 PRO 22 HB3 PRO 22 10.474 26.082 -9.795 151 HG2 PRO 22 HG2 PRO 22 9.656 25.960 -12.672 152 HG3 PRO 22 HG3 PRO 22 9.598 27.332 -11.549 153 HD2 PRO 22 HD2 PRO 22 11.565 27.035 -13.387 154 HD3 PRO 22 HD3 PRO 22 11.840 27.801 -11.809 155 H GLN 23 H GLN 23 11.767 24.310 -13.524 156 HA GLN 23 HA GLN 23 10.259 21.959 -13.655 157 HB2 GLN 23 HB2 GLN 23 11.066 23.560 -15.539 158 HB3 GLN 23 HB3 GLN 23 12.488 22.526 -15.584 159 HG2 GLN 23 HG2 GLN 23 10.839 20.588 -15.844 160 HG3 GLN 23 HG3 GLN 23 9.645 21.830 -16.215 161 HE21 GLN 23 HE21 GLN 23 9.372 21.134 -18.319 162 HE22 GLN 23 HE22 GLN 23 10.574 21.363 -19.538 163 H GLU 24 H GLU 24 13.694 22.477 -13.118 164 HA GLU 24 HA GLU 24 14.083 19.570 -12.910 165 HB2 GLU 24 HB2 GLU 24 16.299 21.601 -12.942 166 HB3 GLU 24 HB3 GLU 24 16.370 19.893 -13.349 167 HG2 GLU 24 HG2 GLU 24 14.576 20.862 -15.176 168 HG3 GLU 24 HG3 GLU 24 15.723 22.191 -15.014 169 H LEU 25 H LEU 25 15.601 18.850 -11.184 170 HA LEU 25 HA LEU 25 15.063 20.342 -8.707 171 HB2 LEU 25 HB2 LEU 25 14.834 17.583 -9.419 172 HB3 LEU 25 HB3 LEU 25 16.015 17.750 -8.121 173 HG LEU 25 HG LEU 25 14.381 18.768 -6.686 174 HD11 LEU 25 HD11 LEU 25 11.929 18.596 -7.844 175 HD12 LEU 25 HD12 LEU 25 12.923 19.114 -9.205 176 HD13 LEU 25 HD13 LEU 25 12.886 20.073 -7.726 177 HD21 LEU 25 HD21 LEU 25 12.542 16.734 -7.459 178 HD22 LEU 25 HD22 LEU 25 13.693 16.736 -6.124 179 HD23 LEU 25 HD23 LEU 25 14.183 16.141 -7.710 180 H ALA 26 H ALA 26 16.767 19.900 -6.959 181 HA ALA 26 HA ALA 26 19.429 20.248 -8.172 182 HB1 ALA 26 HB1 ALA 26 19.627 21.174 -5.582 183 HB2 ALA 26 HB2 ALA 26 19.423 22.162 -7.029 184 HB3 ALA 26 HB3 ALA 26 18.014 21.686 -6.081 185 H LEU 27 H LEU 27 21.232 19.258 -7.197 186 HA LEU 27 HA LEU 27 20.549 16.876 -5.620 187 HB2 LEU 27 HB2 LEU 27 23.071 17.436 -7.169 188 HB3 LEU 27 HB3 LEU 27 22.603 15.909 -6.425 189 HG LEU 27 HG LEU 27 21.004 17.160 -8.642 190 HD11 LEU 27 HD11 LEU 27 22.925 16.896 -9.833 191 HD12 LEU 27 HD12 LEU 27 22.294 15.253 -9.948 192 HD13 LEU 27 HD13 LEU 27 23.547 15.636 -8.768 193 HD21 LEU 27 HD21 LEU 27 21.201 14.407 -7.441 194 HD22 LEU 27 HD22 LEU 27 20.389 14.739 -8.971 195 HD23 LEU 27 HD23 LEU 27 19.800 15.479 -7.482 196 H ARG 28 H ARG 28 22.106 16.177 -3.975 197 HA ARG 28 HA ARG 28 23.595 18.410 -2.769 198 HB2 ARG 28 HB2 ARG 28 21.326 17.884 -1.679 199 HB3 ARG 28 HB3 ARG 28 22.083 16.400 -1.116 200 HG2 ARG 28 HG2 ARG 28 22.263 17.931 0.656 201 HG3 ARG 28 HG3 ARG 28 23.867 17.857 -0.077 202 HD2 ARG 28 HD2 ARG 28 23.632 20.121 0.099 203 HD3 ARG 28 HD3 ARG 28 22.923 19.874 -1.497 204 HE ARG 28 HE ARG 28 20.873 19.662 0.372 205 HH11 ARG 28 HH11 ARG 28 23.098 22.068 -0.803 206 HH12 ARG 28 HH12 ARG 28 22.031 23.396 -0.489 207 HH21 ARG 28 HH21 ARG 28 19.459 21.403 0.790 208 HH22 ARG 28 HH22 ARG 28 19.961 23.017 0.418 209 H ARG 29 H ARG 29 25.638 17.929 -2.300 210 HA ARG 29 HA ARG 29 26.890 15.576 -2.997 211 HB2 ARG 29 HB2 ARG 29 27.876 17.888 -2.343 212 HB3 ARG 29 HB3 ARG 29 27.909 17.234 -0.711 213 HG2 ARG 29 HG2 ARG 29 29.190 15.262 -1.764 214 HG3 ARG 29 HG3 ARG 29 29.446 16.360 -3.121 215 HD2 ARG 29 HD2 ARG 29 30.167 16.961 -0.256 216 HD3 ARG 29 HD3 ARG 29 31.299 16.379 -1.476 217 HE ARG 29 HE ARG 29 29.992 18.712 -2.389 218 HH11 ARG 29 HH11 ARG 29 32.424 17.646 -0.137 219 HH12 ARG 29 HH12 ARG 29 33.293 19.144 -0.165 220 HH21 ARG 29 HH21 ARG 29 31.129 20.689 -2.435 221 HH22 ARG 29 HH22 ARG 29 32.555 20.875 -1.472 222 H ASN 30 H ASN 30 27.285 13.649 -2.052 223 HA ASN 30 HA ASN 30 27.138 11.906 -0.598 224 HB2 ASN 30 HB2 ASN 30 28.383 13.618 0.855 225 HB3 ASN 30 HB3 ASN 30 26.833 13.898 1.642 226 HD21 ASN 30 HD21 ASN 30 29.010 12.993 3.043 227 HD22 ASN 30 HD22 ASN 30 28.733 11.366 3.551 228 H GLU 31 H GLU 31 24.822 12.529 -1.873 229 HA GLU 31 HA GLU 31 22.822 11.826 0.152 230 HB2 GLU 31 HB2 GLU 31 22.847 14.337 -0.698 231 HB3 GLU 31 HB3 GLU 31 21.991 13.640 -2.067 232 HG2 GLU 31 HG2 GLU 31 20.423 14.493 -0.449 233 HG3 GLU 31 HG3 GLU 31 20.301 12.737 -0.545 234 H GLU 32 H GLU 32 20.846 10.878 -0.812 235 HA GLU 32 HA GLU 32 21.491 9.425 -3.294 236 HB2 GLU 32 HB2 GLU 32 20.289 8.543 -0.721 237 HB3 GLU 32 HB3 GLU 32 19.667 7.811 -2.193 238 HG2 GLU 32 HG2 GLU 32 21.645 6.757 -2.674 239 HG3 GLU 32 HG3 GLU 32 22.610 7.921 -1.768 240 H TYR 33 H TYR 33 19.675 8.826 -4.648 241 HA TYR 33 HA TYR 33 17.200 10.310 -4.240 242 HB2 TYR 33 HB2 TYR 33 18.987 10.684 -6.649 243 HB3 TYR 33 HB3 TYR 33 17.312 11.217 -6.576 244 HD1 TYR 33 HD1 TYR 33 16.663 13.080 -5.120 245 HD2 TYR 33 HD2 TYR 33 20.726 11.868 -5.474 246 HE1 TYR 33 HE1 TYR 33 17.378 15.203 -4.103 247 HE2 TYR 33 HE2 TYR 33 21.452 13.987 -4.457 248 HH TYR 33 HH TYR 33 19.738 15.867 -2.699 249 H CYS 34 H CYS 34 15.487 9.153 -4.853 250 HA CYS 34 HA CYS 34 15.812 6.525 -5.885 251 HB2 CYS 34 HB2 CYS 34 13.246 8.108 -5.667 252 HB3 CYS 34 HB3 CYS 34 13.407 6.358 -5.749 253 HG CYS 34 HG CYS 34 13.945 5.914 -3.233 254 H LEU 35 H LEU 35 16.478 6.264 -7.928 255 HA LEU 35 HA LEU 35 15.983 8.036 -10.051 256 HB2 LEU 35 HB2 LEU 35 17.693 6.049 -9.732 257 HB3 LEU 35 HB3 LEU 35 16.444 5.145 -10.584 258 HG LEU 35 HG LEU 35 18.194 5.923 -12.100 259 HD11 LEU 35 HD11 LEU 35 15.504 6.047 -12.496 260 HD12 LEU 35 HD12 LEU 35 16.723 6.267 -13.751 261 HD13 LEU 35 HD13 LEU 35 16.010 7.672 -12.959 262 HD21 LEU 35 HD21 LEU 35 19.124 7.919 -11.840 263 HD22 LEU 35 HD22 LEU 35 17.953 8.321 -10.584 264 HD23 LEU 35 HD23 LEU 35 17.595 8.684 -12.274 265 H LEU 36 H LEU 36 14.359 8.229 -11.478 266 HA LEU 36 HA LEU 36 12.194 6.233 -11.362 267 HB2 LEU 36 HB2 LEU 36 11.866 9.155 -12.004 268 HB3 LEU 36 HB3 LEU 36 10.595 7.967 -11.723 269 HG LEU 36 HG LEU 36 12.390 8.276 -9.445 270 HD11 LEU 36 HD11 LEU 36 10.624 10.624 -10.052 271 HD12 LEU 36 HD12 LEU 36 12.329 10.600 -10.501 272 HD13 LEU 36 HD13 LEU 36 11.861 10.462 -8.806 273 HD21 LEU 36 HD21 LEU 36 10.204 7.080 -9.490 274 HD22 LEU 36 HD22 LEU 36 9.409 8.640 -9.703 275 HD23 LEU 36 HD23 LEU 36 10.326 8.310 -8.232 276 H ASP 37 H ASP 37 13.692 8.710 -13.432 277 HA ASP 37 HA ASP 37 13.214 6.947 -15.735 278 HB2 ASP 37 HB2 ASP 37 11.890 9.376 -15.301 279 HB3 ASP 37 HB3 ASP 37 13.134 9.742 -16.493 280 H SER 38 H SER 38 15.059 6.458 -16.701 281 HA SER 38 HA SER 38 17.223 8.453 -16.716 282 HB2 SER 38 HB2 SER 38 18.774 6.375 -16.622 283 HB3 SER 38 HB3 SER 38 18.021 6.927 -15.126 284 HG SER 38 HG SER 38 17.612 4.608 -16.567 285 H SER 39 H SER 39 16.613 9.037 -18.833 286 HA SER 39 HA SER 39 16.726 6.994 -20.906 287 HB2 SER 39 HB2 SER 39 14.963 8.783 -20.919 288 HB3 SER 39 HB3 SER 39 16.237 9.963 -21.224 289 HG SER 39 HG SER 39 16.000 9.461 -23.241 290 H GLU 40 H GLU 40 18.445 9.927 -19.921 291 HA GLU 40 HA GLU 40 20.920 8.959 -20.937 292 HB2 GLU 40 HB2 GLU 40 19.623 9.807 -23.002 293 HB3 GLU 40 HB3 GLU 40 19.921 11.415 -22.355 294 HG2 GLU 40 HG2 GLU 40 22.266 11.160 -22.559 295 HG3 GLU 40 HG3 GLU 40 22.116 9.437 -22.896 296 H ILE 41 H ILE 41 22.681 10.579 -20.661 297 HA ILE 41 HA ILE 41 22.631 11.717 -18.125 298 HB ILE 41 HB ILE 41 24.723 11.177 -19.236 299 HG12 ILE 41 HG12 ILE 41 24.549 14.151 -18.708 300 HG13 ILE 41 HG13 ILE 41 24.677 12.919 -17.457 301 HG21 ILE 41 HG21 ILE 41 23.605 12.500 -21.413 302 HG22 ILE 41 HG22 ILE 41 24.961 13.511 -20.917 303 HG23 ILE 41 HG23 ILE 41 25.226 11.812 -21.308 304 HD11 ILE 41 HD11 ILE 41 26.794 14.172 -18.222 305 HD12 ILE 41 HD12 ILE 41 26.869 12.424 -17.994 306 HD13 ILE 41 HD13 ILE 41 26.730 13.097 -19.618 307 H HIS 42 H HIS 42 21.400 12.926 -21.082 308 HA HIS 42 HA HIS 42 21.596 15.674 -20.786 309 HB2 HIS 42 HB2 HIS 42 19.418 13.971 -21.997 310 HB3 HIS 42 HB3 HIS 42 19.407 15.730 -22.083 311 HD1 HIS 42 HD1 HIS 42 22.618 13.848 -22.446 312 HD2 HIS 42 HD2 HIS 42 19.794 15.719 -24.851 313 HE1 HIS 42 HE1 HIS 42 23.669 13.995 -24.726 314 H TRP 43 H TRP 43 19.095 13.487 -19.528 315 HA TRP 43 HA TRP 43 18.619 15.270 -17.307 316 HB2 TRP 43 HB2 TRP 43 16.210 15.518 -17.726 317 HB3 TRP 43 HB3 TRP 43 17.162 16.250 -19.015 318 HD1 TRP 43 HD1 TRP 43 16.923 15.243 -21.439 319 HE1 TRP 43 HE1 TRP 43 15.307 13.533 -22.483 320 HE3 TRP 43 HE3 TRP 43 14.890 13.328 -17.157 321 HZ2 TRP 43 HZ2 TRP 43 13.419 11.626 -21.608 322 HZ3 TRP 43 HZ3 TRP 43 13.184 11.564 -17.348 323 HH2 TRP 43 HH2 TRP 43 12.465 10.733 -19.528 324 H TRP 44 H TRP 44 18.217 14.102 -15.544 325 HA TRP 44 HA TRP 44 17.168 11.370 -15.895 326 HB2 TRP 44 HB2 TRP 44 19.519 12.368 -14.399 327 HB3 TRP 44 HB3 TRP 44 18.536 11.164 -13.570 328 HD1 TRP 44 HD1 TRP 44 18.883 10.920 -17.350 329 HE1 TRP 44 HE1 TRP 44 20.292 8.845 -17.927 330 HE3 TRP 44 HE3 TRP 44 20.437 9.661 -12.645 331 HZ2 TRP 44 HZ2 TRP 44 21.856 6.928 -16.567 332 HZ3 TRP 44 HZ3 TRP 44 21.887 7.692 -12.370 333 HH2 TRP 44 HH2 TRP 44 22.580 6.355 -14.291 334 H ARG 45 H ARG 45 15.240 11.112 -15.000 335 HA ARG 45 HA ARG 45 14.223 13.029 -13.097 336 HB2 ARG 45 HB2 ARG 45 13.106 11.251 -14.996 337 HB3 ARG 45 HB3 ARG 45 12.489 10.769 -13.422 338 HG2 ARG 45 HG2 ARG 45 12.115 13.408 -13.234 339 HG3 ARG 45 HG3 ARG 45 11.996 13.222 -14.985 340 HD2 ARG 45 HD2 ARG 45 10.244 11.587 -14.738 341 HD3 ARG 45 HD3 ARG 45 10.430 11.600 -12.985 342 HE ARG 45 HE ARG 45 9.848 14.170 -13.530 343 HH11 ARG 45 HH11 ARG 45 8.353 11.167 -14.459 344 HH12 ARG 45 HH12 ARG 45 6.760 11.840 -14.559 345 HH21 ARG 45 HH21 ARG 45 7.756 15.069 -13.658 346 HH22 ARG 45 HH22 ARG 45 6.421 14.060 -14.104 347 H VAL 46 H VAL 46 14.568 12.865 -10.990 348 HA VAL 46 HA VAL 46 14.572 10.198 -9.756 349 HB VAL 46 HB VAL 46 16.412 10.772 -8.303 350 HG11 VAL 46 HG11 VAL 46 17.641 11.601 -10.840 351 HG12 VAL 46 HG12 VAL 46 18.005 10.226 -9.795 352 HG13 VAL 46 HG13 VAL 46 16.654 10.142 -10.927 353 HG21 VAL 46 HG21 VAL 46 17.695 12.873 -8.671 354 HG22 VAL 46 HG22 VAL 46 16.406 13.423 -9.741 355 HG23 VAL 46 HG23 VAL 46 16.071 13.133 -8.034 356 H GLN 47 H GLN 47 14.323 10.345 -7.338 357 HA GLN 47 HA GLN 47 12.655 12.652 -6.588 358 HB2 GLN 47 HB2 GLN 47 11.137 10.850 -6.983 359 HB3 GLN 47 HB3 GLN 47 12.143 9.723 -6.084 360 HG2 GLN 47 HG2 GLN 47 11.548 10.657 -4.024 361 HG3 GLN 47 HG3 GLN 47 10.905 12.117 -4.775 362 HE21 GLN 47 HE21 GLN 47 8.792 12.213 -4.629 363 HE22 GLN 47 HE22 GLN 47 7.695 10.885 -4.747 364 H ASP 48 H ASP 48 12.993 13.510 -4.604 365 HA ASP 48 HA ASP 48 15.357 12.686 -3.184 366 HB2 ASP 48 HB2 ASP 48 14.802 14.621 -1.693 367 HB3 ASP 48 HB3 ASP 48 14.952 15.048 -3.396 368 H ARG 49 H ARG 49 14.925 13.049 -0.581 369 HA ARG 49 HA ARG 49 13.233 10.770 0.103 370 HB2 ARG 49 HB2 ARG 49 15.292 12.283 1.718 371 HB3 ARG 49 HB3 ARG 49 14.382 10.899 2.307 372 HG2 ARG 49 HG2 ARG 49 15.997 10.664 -0.192 373 HG3 ARG 49 HG3 ARG 49 16.782 10.573 1.385 374 HD2 ARG 49 HD2 ARG 49 14.477 8.847 0.487 375 HD3 ARG 49 HD3 ARG 49 16.171 8.356 0.486 376 HE ARG 49 HE ARG 49 14.410 8.497 2.749 377 HH11 ARG 49 HH11 ARG 49 17.729 8.602 1.703 378 HH12 ARG 49 HH12 ARG 49 18.363 8.092 3.233 379 HH21 ARG 49 HH21 ARG 49 15.233 7.825 4.767 380 HH22 ARG 49 HH22 ARG 49 16.943 7.649 4.974 381 H ASN 50 H ASN 50 12.220 13.525 -0.521 382 HA ASN 50 HA ASN 50 10.831 14.036 2.027 383 HB2 ASN 50 HB2 ASN 50 11.295 16.013 -0.215 384 HB3 ASN 50 HB3 ASN 50 10.586 16.353 1.362 385 HD21 ASN 50 HD21 ASN 50 13.531 15.336 -0.268 386 HD22 ASN 50 HD22 ASN 50 14.619 15.917 0.942 387 H GLY 51 H GLY 51 10.525 13.381 -1.363 388 HA2 GLY 51 HA2 GLY 51 8.444 12.212 -1.987 389 HA3 GLY 51 HA3 GLY 51 7.586 13.432 -1.057 390 H HIS 52 H HIS 52 10.279 14.442 -2.961 391 HA HIS 52 HA HIS 52 8.422 15.556 -4.962 392 HB2 HIS 52 HB2 HIS 52 11.033 16.821 -4.134 393 HB3 HIS 52 HB3 HIS 52 9.736 17.540 -5.084 394 HD1 HIS 52 HD1 HIS 52 11.015 17.334 -1.708 395 HD2 HIS 52 HD2 HIS 52 7.300 17.955 -3.462 396 HE1 HIS 52 HE1 HIS 52 9.581 18.344 0.094 397 H GLU 53 H GLU 53 8.979 15.437 -7.100 398 HA GLU 53 HA GLU 53 11.460 13.972 -7.723 399 HB2 GLU 53 HB2 GLU 53 8.948 13.813 -9.376 400 HB3 GLU 53 HB3 GLU 53 10.352 12.756 -9.423 401 HG2 GLU 53 HG2 GLU 53 9.683 12.220 -6.965 402 HG3 GLU 53 HG3 GLU 53 8.110 12.841 -7.462 403 H GLY 54 H GLY 54 12.729 14.732 -9.346 404 HA2 GLY 54 HA2 GLY 54 11.719 16.763 -11.168 405 HA3 GLY 54 HA3 GLY 54 12.958 17.300 -10.043 406 H TYR 55 H TYR 55 13.781 17.689 -12.417 407 HA TYR 55 HA TYR 55 15.137 15.306 -13.440 408 HB2 TYR 55 HB2 TYR 55 14.817 18.076 -14.612 409 HB3 TYR 55 HB3 TYR 55 15.698 16.763 -15.385 410 HD1 TYR 55 HD1 TYR 55 12.334 17.725 -14.131 411 HD2 TYR 55 HD2 TYR 55 14.574 15.202 -16.723 412 HE1 TYR 55 HE1 TYR 55 10.244 16.941 -15.163 413 HE2 TYR 55 HE2 TYR 55 12.490 14.411 -17.764 414 HH TYR 55 HH TYR 55 10.083 15.395 -18.043 415 H VAL 56 H VAL 56 17.354 15.150 -13.630 416 HA VAL 56 HA VAL 56 19.057 17.328 -12.770 417 HB VAL 56 HB VAL 56 20.235 15.779 -11.109 418 HG11 VAL 56 HG11 VAL 56 18.878 17.782 -10.523 419 HG12 VAL 56 HG12 VAL 56 17.475 16.725 -10.348 420 HG13 VAL 56 HG13 VAL 56 18.869 16.526 -9.285 421 HG21 VAL 56 HG21 VAL 56 19.116 13.711 -11.729 422 HG22 VAL 56 HG22 VAL 56 18.807 14.093 -10.035 423 HG23 VAL 56 HG23 VAL 56 17.560 14.388 -11.247 424 HA PRO 57 HA PRO 57 21.896 15.489 -15.568 425 HB2 PRO 57 HB2 PRO 57 24.274 16.198 -14.467 426 HB3 PRO 57 HB3 PRO 57 23.209 17.352 -15.280 427 HG2 PRO 57 HG2 PRO 57 23.546 16.823 -12.353 428 HG3 PRO 57 HG3 PRO 57 23.402 18.374 -13.200 429 HD2 PRO 57 HD2 PRO 57 21.323 17.225 -11.900 430 HD3 PRO 57 HD3 PRO 57 21.108 18.219 -13.355 431 H SER 58 H SER 58 22.594 13.468 -15.858 432 HA SER 58 HA SER 58 22.828 11.662 -13.658 433 HB2 SER 58 HB2 SER 58 22.816 9.990 -15.232 434 HB3 SER 58 HB3 SER 58 22.127 11.287 -16.207 435 HG SER 58 HG SER 58 24.390 9.931 -16.603 436 H SER 59 H SER 59 25.064 13.474 -15.623 437 HA SER 59 HA SER 59 27.424 12.074 -15.167 438 HB2 SER 59 HB2 SER 59 28.007 13.719 -16.590 439 HB3 SER 59 HB3 SER 59 26.683 14.754 -16.055 440 HG SER 59 HG SER 59 29.303 14.554 -15.063 441 H TYR 60 H TYR 60 25.538 14.006 -13.023 442 HA TYR 60 HA TYR 60 27.703 14.006 -11.033 443 HB2 TYR 60 HB2 TYR 60 25.146 15.621 -11.111 444 HB3 TYR 60 HB3 TYR 60 26.367 15.714 -9.847 445 HD1 TYR 60 HD2 TYR 60 26.028 16.066 -13.550 446 HD2 TYR 60 HD1 TYR 60 28.011 17.335 -10.006 447 HE1 TYR 60 HE2 TYR 60 27.225 17.783 -14.842 448 HE2 TYR 60 HE1 TYR 60 29.212 19.057 -11.288 449 HH TYR 60 HH TYR 60 28.753 19.391 -14.795 450 H LEU 61 H LEU 61 25.876 11.751 -11.799 451 HA LEU 61 HA LEU 61 25.027 11.100 -9.074 452 HB2 LEU 61 HB2 LEU 61 23.322 11.045 -11.537 453 HB3 LEU 61 HB3 LEU 61 22.995 9.959 -10.187 454 HG LEU 61 HG LEU 61 23.120 12.947 -9.856 455 HD11 LEU 61 HD11 LEU 61 20.770 11.218 -10.597 456 HD12 LEU 61 HD12 LEU 61 21.410 12.607 -11.474 457 HD13 LEU 61 HD13 LEU 61 20.619 12.838 -9.916 458 HD21 LEU 61 HD21 LEU 61 21.357 11.905 -8.044 459 HD22 LEU 61 HD22 LEU 61 23.050 12.282 -7.721 460 HD23 LEU 61 HD23 LEU 61 22.579 10.637 -8.150 461 H VAL 62 H VAL 62 25.517 9.070 -8.477 462 HA VAL 62 HA VAL 62 26.532 7.254 -10.565 463 HB VAL 62 HB VAL 62 28.187 8.062 -8.844 464 HG11 VAL 62 HG11 VAL 62 27.153 6.127 -6.876 465 HG12 VAL 62 HG12 VAL 62 27.952 7.681 -6.632 466 HG13 VAL 62 HG13 VAL 62 26.236 7.624 -7.037 467 HG21 VAL 62 HG21 VAL 62 27.801 5.088 -8.692 468 HG22 VAL 62 HG22 VAL 62 28.297 5.889 -10.183 469 HG23 VAL 62 HG23 VAL 62 29.308 6.003 -8.743 470 H GLU 63 H GLU 63 25.730 5.227 -10.723 471 HA GLU 63 HA GLU 63 23.231 4.621 -9.581 472 HB2 GLU 63 HB2 GLU 63 24.971 3.486 -11.532 473 HB3 GLU 63 HB3 GLU 63 24.511 2.213 -10.411 474 HG2 GLU 63 HG2 GLU 63 22.275 2.358 -10.948 475 HG3 GLU 63 HG3 GLU 63 22.419 4.009 -11.548 476 H LYS 64 H LYS 64 22.830 4.103 -7.545 477 HA LYS 64 HA LYS 64 24.854 3.218 -5.742 478 HB2 LYS 64 HB2 LYS 64 22.848 4.611 -5.126 479 HB3 LYS 64 HB3 LYS 64 21.864 3.165 -5.313 480 HG2 LYS 64 HG2 LYS 64 24.214 2.979 -3.522 481 HG3 LYS 64 HG3 LYS 64 22.842 3.943 -2.970 482 HD2 LYS 64 HD2 LYS 64 21.362 2.004 -3.403 483 HD3 LYS 64 HD3 LYS 64 22.785 1.051 -3.832 484 HE2 LYS 64 HE2 LYS 64 23.647 1.801 -1.490 485 HE3 LYS 64 HE3 LYS 64 21.943 2.117 -1.168 486 HZ1 LYS 64 HZ1 LYS 64 21.403 -0.126 -1.484 487 HZ2 LYS 64 HZ2 LYS 64 22.813 -0.156 -0.550 488 HZ3 LYS 64 HZ3 LYS 64 22.889 -0.487 -2.207 489 H SER 65 H SER 65 25.700 1.260 -6.312 490 HA SER 65 HA SER 65 24.000 -1.051 -5.838 491 HB2 SER 65 HB2 SER 65 25.212 -0.377 -8.478 492 HB3 SER 65 HB3 SER 65 25.219 -2.068 -7.978 493 HG SER 65 HG SER 65 23.324 -1.677 -9.084 494 HA PRO 66 HA PRO 66 27.581 -2.752 -3.962 495 HB2 PRO 66 HB2 PRO 66 27.364 -5.390 -4.563 496 HB3 PRO 66 HB3 PRO 66 26.306 -4.579 -3.402 497 HG2 PRO 66 HG2 PRO 66 25.796 -5.266 -6.271 498 HG3 PRO 66 HG3 PRO 66 24.718 -5.429 -4.872 499 HD2 PRO 66 HD2 PRO 66 24.529 -3.374 -6.626 500 HD3 PRO 66 HD3 PRO 66 24.134 -3.200 -4.904 Start of MODEL 3 1 H1 GLY 1 H GLY 1 1.125 -8.614 -1.994 2 HA2 GLY 1 HA2 GLY 1 0.482 -5.842 -1.987 3 HA3 GLY 1 HA3 GLY 1 2.083 -6.107 -1.312 4 HA PRO 2 HA PRO 2 2.212 -7.613 -5.921 5 HB2 PRO 2 HB2 PRO 2 0.118 -6.850 -7.472 6 HB3 PRO 2 HB3 PRO 2 0.153 -8.382 -6.591 7 HG2 PRO 2 HG2 PRO 2 -1.191 -5.807 -5.863 8 HG3 PRO 2 HG3 PRO 2 -1.806 -7.466 -5.735 9 HD2 PRO 2 HD2 PRO 2 -0.820 -6.110 -3.609 10 HD3 PRO 2 HD3 PRO 2 -0.667 -7.871 -3.772 11 H LEU 3 H LEU 3 0.379 -4.585 -5.496 12 HA LEU 3 HA LEU 3 1.513 -3.142 -7.587 13 HB2 LEU 3 HB2 LEU 3 -0.447 -2.403 -6.336 14 HB3 LEU 3 HB3 LEU 3 0.555 -2.135 -4.911 15 HG LEU 3 HG LEU 3 1.805 -0.408 -6.281 16 HD11 LEU 3 HD11 LEU 3 -0.609 -0.287 -8.025 17 HD12 LEU 3 HD12 LEU 3 0.699 -1.397 -8.435 18 HD13 LEU 3 HD13 LEU 3 1.019 0.333 -8.306 19 HD21 LEU 3 HD21 LEU 3 0.575 0.886 -4.961 20 HD22 LEU 3 HD22 LEU 3 -0.751 -0.277 -4.966 21 HD23 LEU 3 HD23 LEU 3 -0.641 0.943 -6.237 22 H GLY 4 H GLY 4 3.207 -1.631 -7.692 23 HA2 GLY 4 HA2 GLY 4 5.108 -1.605 -5.458 24 HA3 GLY 4 HA3 GLY 4 5.676 -2.166 -7.024 25 H SER 5 H SER 5 6.090 0.302 -5.170 26 HA SER 5 HA SER 5 5.285 2.542 -6.735 27 HB2 SER 5 HB2 SER 5 7.494 3.298 -5.154 28 HB3 SER 5 HB3 SER 5 5.785 3.541 -4.793 29 HG SER 5 HG SER 5 5.772 1.757 -3.559 30 HA PRO 6 HA PRO 6 8.467 2.883 -9.734 31 HB2 PRO 6 HB2 PRO 6 8.942 5.555 -9.787 32 HB3 PRO 6 HB3 PRO 6 7.468 4.828 -10.437 33 HG2 PRO 6 HG2 PRO 6 7.914 6.167 -7.797 34 HG3 PRO 6 HG3 PRO 6 6.545 6.322 -8.913 35 HD2 PRO 6 HD2 PRO 6 6.452 4.763 -6.701 36 HD3 PRO 6 HD3 PRO 6 5.571 4.363 -8.188 37 H GLU 7 H GLU 7 9.950 1.727 -8.190 38 HA GLU 7 HA GLU 7 12.316 3.363 -7.770 39 HB2 GLU 7 HB2 GLU 7 12.600 2.308 -5.457 40 HB3 GLU 7 HB3 GLU 7 11.430 3.612 -5.607 41 HG2 GLU 7 HG2 GLU 7 9.739 2.308 -4.994 42 HG3 GLU 7 HG3 GLU 7 10.246 1.003 -6.065 43 H GLU 8 H GLU 8 13.477 2.221 -9.247 44 HA GLU 8 HA GLU 8 13.807 -0.663 -8.734 45 HB2 GLU 8 HB2 GLU 8 14.569 -0.713 -11.181 46 HB3 GLU 8 HB3 GLU 8 12.850 -0.518 -10.871 47 HG2 GLU 8 HG2 GLU 8 14.384 1.978 -11.115 48 HG3 GLU 8 HG3 GLU 8 14.264 1.005 -12.580 49 H THR 9 H THR 9 15.408 2.369 -9.500 50 HA THR 9 HA THR 9 17.920 1.233 -8.510 51 HB THR 9 HB THR 9 17.787 2.920 -11.015 52 HG1 THR 9 HG1 THR 9 18.474 0.167 -10.848 53 HG21 THR 9 HG21 THR 9 19.952 1.959 -9.274 54 HG22 THR 9 HG22 THR 9 19.921 3.313 -10.404 55 HG23 THR 9 HG23 THR 9 20.208 1.677 -10.995 56 H VAL 10 H VAL 10 19.348 2.740 -7.587 57 HA VAL 10 HA VAL 10 18.169 5.396 -7.087 58 HB VAL 10 HB VAL 10 20.010 3.962 -5.181 59 HG11 VAL 10 HG11 VAL 10 18.806 5.562 -3.582 60 HG12 VAL 10 HG12 VAL 10 19.991 6.250 -4.694 61 HG13 VAL 10 HG13 VAL 10 18.267 6.401 -5.037 62 HG21 VAL 10 HG21 VAL 10 17.193 3.477 -5.718 63 HG22 VAL 10 HG22 VAL 10 18.340 2.538 -4.762 64 HG23 VAL 10 HG23 VAL 10 17.502 3.910 -4.037 65 H VAL 11 H VAL 11 19.664 7.143 -6.737 66 HA VAL 11 HA VAL 11 22.354 6.675 -7.837 67 HB VAL 11 HB VAL 11 22.169 8.944 -8.930 68 HG11 VAL 11 HG11 VAL 11 22.062 6.879 -10.216 69 HG12 VAL 11 HG12 VAL 11 20.326 6.769 -9.919 70 HG13 VAL 11 HG13 VAL 11 20.975 8.091 -10.891 71 HG21 VAL 11 HG21 VAL 11 19.785 9.068 -7.522 72 HG22 VAL 11 HG22 VAL 11 20.321 10.182 -8.779 73 HG23 VAL 11 HG23 VAL 11 19.287 8.816 -9.195 74 H ILE 12 H ILE 12 24.004 7.902 -6.976 75 HA ILE 12 HA ILE 12 23.306 9.400 -4.544 76 HB ILE 12 HB ILE 12 26.069 8.429 -5.219 77 HG12 ILE 12 HG12 ILE 12 23.887 6.898 -3.786 78 HG13 ILE 12 HG13 ILE 12 24.612 6.474 -5.333 79 HG21 ILE 12 HG21 ILE 12 24.810 8.782 -2.517 80 HG22 ILE 12 HG22 ILE 12 26.521 8.709 -2.935 81 HG23 ILE 12 HG23 ILE 12 25.565 10.122 -3.380 82 HD11 ILE 12 HD11 ILE 12 26.049 6.558 -2.692 83 HD12 ILE 12 HD12 ILE 12 25.481 5.106 -3.517 84 HD13 ILE 12 HD13 ILE 12 26.748 6.094 -4.243 85 H ALA 13 H ALA 13 23.824 11.500 -4.325 86 HA ALA 13 HA ALA 13 24.674 12.962 -6.639 87 HB1 ALA 13 HB1 ALA 13 23.705 13.637 -3.921 88 HB2 ALA 13 HB2 ALA 13 24.661 14.854 -4.769 89 HB3 ALA 13 HB3 ALA 13 23.179 14.233 -5.496 90 H LEU 14 H LEU 14 26.668 13.563 -7.180 91 HA LEU 14 HA LEU 14 28.861 12.957 -5.363 92 HB2 LEU 14 HB2 LEU 14 29.175 14.052 -8.131 93 HB3 LEU 14 HB3 LEU 14 30.278 13.030 -7.212 94 HG LEU 14 HG LEU 14 27.666 12.153 -8.444 95 HD11 LEU 14 HD11 LEU 14 30.479 12.125 -9.358 96 HD12 LEU 14 HD12 LEU 14 28.982 12.231 -10.285 97 HD13 LEU 14 HD13 LEU 14 29.522 10.673 -9.658 98 HD21 LEU 14 HD21 LEU 14 29.003 11.071 -6.268 99 HD22 LEU 14 HD22 LEU 14 29.521 10.083 -7.634 100 HD23 LEU 14 HD23 LEU 14 27.803 10.263 -7.276 101 H TYR 15 H TYR 15 27.199 15.684 -6.731 102 HA TYR 15 HA TYR 15 28.705 17.465 -4.995 103 HB2 TYR 15 HB2 TYR 15 28.463 18.040 -7.954 104 HB3 TYR 15 HB3 TYR 15 29.258 19.045 -6.748 105 HD1 TYR 15 HD2 TYR 15 31.427 18.396 -5.821 106 HD2 TYR 15 HD1 TYR 15 29.533 16.060 -8.831 107 HE1 TYR 15 HE2 TYR 15 33.551 17.231 -6.245 108 HE2 TYR 15 HE1 TYR 15 31.652 14.888 -9.263 109 HH TYR 15 HH TYR 15 33.847 14.833 -8.835 110 H ASP 16 H ASP 16 27.645 19.446 -4.573 111 HA ASP 16 HA ASP 16 24.822 19.277 -4.531 112 HB2 ASP 16 HB2 ASP 16 24.959 21.652 -3.696 113 HB3 ASP 16 HB3 ASP 16 25.914 20.488 -2.781 114 H TYR 17 H TYR 17 23.967 19.128 -6.577 115 HA TYR 17 HA TYR 17 24.660 21.016 -8.637 116 HB2 TYR 17 HB2 TYR 17 24.091 18.782 -9.321 117 HB3 TYR 17 HB3 TYR 17 22.548 18.860 -8.478 118 HD1 TYR 17 HD1 TYR 17 24.434 20.598 -11.194 119 HD2 TYR 17 HD2 TYR 17 20.645 19.387 -9.685 120 HE1 TYR 17 HE1 TYR 17 23.361 21.418 -13.249 121 HE2 TYR 17 HE2 TYR 17 19.561 20.203 -11.736 122 HH TYR 17 HH TYR 17 19.955 20.863 -13.890 123 H GLN 18 H GLN 18 23.311 22.597 -9.535 124 HA GLN 18 HA GLN 18 20.915 23.313 -8.003 125 HB2 GLN 18 HB2 GLN 18 23.360 24.962 -8.429 126 HB3 GLN 18 HB3 GLN 18 21.801 25.775 -8.468 127 HG2 GLN 18 HG2 GLN 18 21.305 25.115 -6.244 128 HG3 GLN 18 HG3 GLN 18 22.684 24.019 -6.197 129 HE21 GLN 18 HE21 GLN 18 23.326 25.131 -4.279 130 HE22 GLN 18 HE22 GLN 18 24.159 26.641 -4.384 131 H THR 19 H THR 19 19.232 23.876 -9.236 132 HA THR 19 HA THR 19 19.670 24.083 -12.126 133 HB THR 19 HB THR 19 18.055 22.408 -11.542 134 HG1 THR 19 HG1 THR 19 16.076 23.590 -12.451 135 HG21 THR 19 HG21 THR 19 17.055 24.510 -9.709 136 HG22 THR 19 HG22 THR 19 17.149 22.763 -9.486 137 HG23 THR 19 HG23 THR 19 15.848 23.461 -10.451 138 H ASN 20 H ASN 20 18.363 25.642 -13.350 139 HA ASN 20 HA ASN 20 18.285 28.211 -11.952 140 HB2 ASN 20 HB2 ASN 20 19.607 28.111 -14.012 141 HB3 ASN 20 HB3 ASN 20 18.188 27.578 -14.910 142 HD21 ASN 20 HD21 ASN 20 16.888 29.061 -15.766 143 HD22 ASN 20 HD22 ASN 20 16.991 30.762 -15.477 144 H ASP 21 H ASP 21 16.230 25.861 -13.439 145 HA ASP 21 HA ASP 21 13.913 27.617 -12.953 146 HB2 ASP 21 HB2 ASP 21 14.545 25.835 -15.264 147 HB3 ASP 21 HB3 ASP 21 12.861 26.006 -14.776 148 HA PRO 22 HA PRO 22 12.202 24.537 -10.343 149 HB2 PRO 22 HB2 PRO 22 9.558 24.660 -10.948 150 HB3 PRO 22 HB3 PRO 22 10.397 25.927 -10.045 151 HG2 PRO 22 HG2 PRO 22 9.678 25.831 -12.949 152 HG3 PRO 22 HG3 PRO 22 9.546 27.182 -11.808 153 HD2 PRO 22 HD2 PRO 22 11.579 26.968 -13.583 154 HD3 PRO 22 HD3 PRO 22 11.781 27.714 -11.985 155 H GLN 23 H GLN 23 11.856 24.252 -13.756 156 HA GLN 23 HA GLN 23 10.417 21.866 -13.975 157 HB2 GLN 23 HB2 GLN 23 11.238 23.513 -15.807 158 HB3 GLN 23 HB3 GLN 23 12.695 22.528 -15.815 159 HG2 GLN 23 HG2 GLN 23 11.553 20.636 -16.573 160 HG3 GLN 23 HG3 GLN 23 9.980 21.310 -16.152 161 HE21 GLN 23 HE21 GLN 23 12.153 20.762 -18.612 162 HE22 GLN 23 HE22 GLN 23 11.485 21.820 -19.803 163 H GLU 24 H GLU 24 13.812 22.463 -13.297 164 HA GLU 24 HA GLU 24 14.276 19.564 -13.134 165 HB2 GLU 24 HB2 GLU 24 16.425 21.667 -13.038 166 HB3 GLU 24 HB3 GLU 24 16.575 19.966 -13.458 167 HG2 GLU 24 HG2 GLU 24 14.835 20.877 -15.357 168 HG3 GLU 24 HG3 GLU 24 15.902 22.261 -15.126 169 H LEU 25 H LEU 25 15.792 18.876 -11.369 170 HA LEU 25 HA LEU 25 15.105 20.296 -8.884 171 HB2 LEU 25 HB2 LEU 25 14.932 17.552 -9.653 172 HB3 LEU 25 HB3 LEU 25 16.076 17.702 -8.320 173 HG LEU 25 HG LEU 25 14.384 18.699 -6.920 174 HD11 LEU 25 HD11 LEU 25 12.729 19.857 -7.831 175 HD12 LEU 25 HD12 LEU 25 12.003 18.339 -8.356 176 HD13 LEU 25 HD13 LEU 25 13.097 19.210 -9.430 177 HD21 LEU 25 HD21 LEU 25 12.582 16.737 -7.309 178 HD22 LEU 25 HD22 LEU 25 14.140 16.492 -6.520 179 HD23 LEU 25 HD23 LEU 25 13.944 16.093 -8.227 180 H ALA 26 H ALA 26 16.747 19.844 -7.079 181 HA ALA 26 HA ALA 26 19.447 20.255 -8.182 182 HB1 ALA 26 HB1 ALA 26 19.623 21.169 -5.631 183 HB2 ALA 26 HB2 ALA 26 19.261 22.175 -7.034 184 HB3 ALA 26 HB3 ALA 26 17.949 21.563 -6.026 185 H LEU 27 H LEU 27 21.236 19.311 -7.103 186 HA LEU 27 HA LEU 27 20.527 16.887 -5.596 187 HB2 LEU 27 HB2 LEU 27 23.056 17.484 -7.123 188 HB3 LEU 27 HB3 LEU 27 22.633 15.957 -6.351 189 HG LEU 27 HG LEU 27 21.023 17.129 -8.606 190 HD11 LEU 27 HD11 LEU 27 23.091 14.990 -8.955 191 HD12 LEU 27 HD12 LEU 27 23.496 16.696 -9.138 192 HD13 LEU 27 HD13 LEU 27 22.278 15.962 -10.182 193 HD21 LEU 27 HD21 LEU 27 19.888 15.449 -7.285 194 HD22 LEU 27 HD22 LEU 27 21.263 14.356 -7.444 195 HD23 LEU 27 HD23 LEU 27 20.308 14.785 -8.864 196 H ARG 28 H ARG 28 21.902 16.229 -3.845 197 HA ARG 28 HA ARG 28 23.409 18.444 -2.622 198 HB2 ARG 28 HB2 ARG 28 21.056 17.737 -1.644 199 HB3 ARG 28 HB3 ARG 28 21.999 16.452 -0.902 200 HG2 ARG 28 HG2 ARG 28 21.925 18.141 0.705 201 HG3 ARG 28 HG3 ARG 28 23.522 18.298 -0.031 202 HD2 ARG 28 HD2 ARG 28 22.895 20.197 -1.253 203 HD3 ARG 28 HD3 ARG 28 21.175 19.888 -1.014 204 HE ARG 28 HE ARG 28 22.172 20.283 1.502 205 HH11 ARG 28 HH11 ARG 28 22.129 22.108 -1.462 206 HH12 ARG 28 HH12 ARG 28 22.130 23.647 -0.668 207 HH21 ARG 28 HH21 ARG 28 22.173 22.304 2.560 208 HH22 ARG 28 HH22 ARG 28 22.156 23.758 1.620 209 H ARG 29 H ARG 29 25.432 17.966 -2.056 210 HA ARG 29 HA ARG 29 26.719 15.624 -2.735 211 HB2 ARG 29 HB2 ARG 29 27.613 17.977 -1.936 212 HB3 ARG 29 HB3 ARG 29 27.705 17.170 -0.376 213 HG2 ARG 29 HG2 ARG 29 28.896 15.786 -2.711 214 HG3 ARG 29 HG3 ARG 29 29.733 17.202 -2.073 215 HD2 ARG 29 HD2 ARG 29 29.375 16.021 0.226 216 HD3 ARG 29 HD3 ARG 29 29.169 14.576 -0.763 217 HE ARG 29 HE ARG 29 31.618 15.984 -0.239 218 HH11 ARG 29 HH11 ARG 29 29.951 13.870 -2.446 219 HH12 ARG 29 HH12 ARG 29 31.405 13.198 -3.106 220 HH21 ARG 29 HH21 ARG 29 33.540 15.106 -1.099 221 HH22 ARG 29 HH22 ARG 29 33.446 13.901 -2.338 222 H ASN 30 H ASN 30 27.072 13.686 -1.801 223 HA ASN 30 HA ASN 30 26.874 11.927 -0.373 224 HB2 ASN 30 HB2 ASN 30 28.050 13.666 1.140 225 HB3 ASN 30 HB3 ASN 30 26.473 13.855 1.901 226 HD21 ASN 30 HD21 ASN 30 28.788 12.939 3.202 227 HD22 ASN 30 HD22 ASN 30 28.517 11.305 3.694 228 H GLU 31 H GLU 31 24.634 12.389 -1.714 229 HA GLU 31 HA GLU 31 22.556 11.748 0.241 230 HB2 GLU 31 HB2 GLU 31 22.589 14.247 -0.633 231 HB3 GLU 31 HB3 GLU 31 21.797 13.530 -2.029 232 HG2 GLU 31 HG2 GLU 31 19.930 12.897 -0.809 233 HG3 GLU 31 HG3 GLU 31 20.781 13.005 0.732 234 H GLU 32 H GLU 32 20.542 10.923 -0.906 235 HA GLU 32 HA GLU 32 21.317 9.401 -3.308 236 HB2 GLU 32 HB2 GLU 32 20.037 8.517 -0.775 237 HB3 GLU 32 HB3 GLU 32 19.463 7.781 -2.265 238 HG2 GLU 32 HG2 GLU 32 21.107 6.314 -1.739 239 HG3 GLU 32 HG3 GLU 32 22.049 7.463 -2.687 240 H TYR 33 H TYR 33 19.594 8.846 -4.762 241 HA TYR 33 HA TYR 33 17.075 10.279 -4.427 242 HB2 TYR 33 HB2 TYR 33 18.945 10.709 -6.763 243 HB3 TYR 33 HB3 TYR 33 17.266 11.237 -6.730 244 HD1 TYR 33 HD2 TYR 33 20.633 11.827 -5.411 245 HD2 TYR 33 HD1 TYR 33 16.579 13.119 -5.359 246 HE1 TYR 33 HE2 TYR 33 21.322 13.926 -4.331 247 HE2 TYR 33 HE1 TYR 33 17.257 15.222 -4.280 248 HH TYR 33 HH TYR 33 18.944 16.438 -3.512 249 H CYS 34 H CYS 34 15.423 9.061 -5.064 250 HA CYS 34 HA CYS 34 15.830 6.475 -6.156 251 HB2 CYS 34 HB2 CYS 34 13.732 7.852 -4.881 252 HB3 CYS 34 HB3 CYS 34 13.106 7.376 -6.455 253 HG CYS 34 HG CYS 34 13.588 4.663 -6.110 254 H LEU 35 H LEU 35 16.558 6.266 -8.183 255 HA LEU 35 HA LEU 35 16.118 8.066 -10.286 256 HB2 LEU 35 HB2 LEU 35 17.801 6.057 -9.958 257 HB3 LEU 35 HB3 LEU 35 16.568 5.182 -10.864 258 HG LEU 35 HG LEU 35 18.361 5.970 -12.318 259 HD11 LEU 35 HD11 LEU 35 16.223 7.775 -13.182 260 HD12 LEU 35 HD12 LEU 35 15.688 6.143 -12.783 261 HD13 LEU 35 HD13 LEU 35 16.941 6.387 -13.999 262 HD21 LEU 35 HD21 LEU 35 18.125 8.333 -10.751 263 HD22 LEU 35 HD22 LEU 35 17.811 8.745 -12.437 264 HD23 LEU 35 HD23 LEU 35 19.318 7.943 -11.991 265 H LEU 36 H LEU 36 14.533 8.303 -11.748 266 HA LEU 36 HA LEU 36 12.338 6.338 -11.709 267 HB2 LEU 36 HB2 LEU 36 12.102 9.269 -12.353 268 HB3 LEU 36 HB3 LEU 36 10.789 8.111 -12.150 269 HG LEU 36 HG LEU 36 12.586 8.563 -9.830 270 HD11 LEU 36 HD11 LEU 36 11.834 10.639 -9.270 271 HD12 LEU 36 HD12 LEU 36 10.339 10.471 -10.190 272 HD13 LEU 36 HD13 LEU 36 11.856 10.804 -11.026 273 HD21 LEU 36 HD21 LEU 36 10.904 7.618 -8.708 274 HD22 LEU 36 HD22 LEU 36 10.260 7.170 -10.287 275 HD23 LEU 36 HD23 LEU 36 9.695 8.638 -9.488 276 H ASP 37 H ASP 37 13.946 8.776 -13.741 277 HA ASP 37 HA ASP 37 13.518 7.008 -16.049 278 HB2 ASP 37 HB2 ASP 37 12.278 9.530 -15.654 279 HB3 ASP 37 HB3 ASP 37 13.484 9.736 -16.921 280 H SER 38 H SER 38 15.365 6.535 -17.024 281 HA SER 38 HA SER 38 17.544 8.509 -16.980 282 HB2 SER 38 HB2 SER 38 19.079 6.408 -16.805 283 HB3 SER 38 HB3 SER 38 18.322 7.038 -15.343 284 HG SER 38 HG SER 38 18.144 4.610 -16.262 285 H SER 39 H SER 39 17.370 9.099 -19.094 286 HA SER 39 HA SER 39 17.469 6.977 -21.125 287 HB2 SER 39 HB2 SER 39 15.637 8.723 -21.223 288 HB3 SER 39 HB3 SER 39 16.891 9.909 -21.586 289 HG SER 39 HG SER 39 16.640 7.545 -23.103 290 H GLU 40 H GLU 40 18.979 10.054 -20.210 291 HA GLU 40 HA GLU 40 21.538 9.150 -21.144 292 HB2 GLU 40 HB2 GLU 40 20.173 10.095 -23.173 293 HB3 GLU 40 HB3 GLU 40 20.584 11.656 -22.476 294 HG2 GLU 40 HG2 GLU 40 22.844 11.388 -22.870 295 HG3 GLU 40 HG3 GLU 40 22.721 9.633 -22.979 296 H ILE 41 H ILE 41 23.251 10.753 -20.721 297 HA ILE 41 HA ILE 41 23.082 11.831 -18.166 298 HB ILE 41 HB ILE 41 25.223 11.332 -19.213 299 HG12 ILE 41 HG12 ILE 41 25.067 14.293 -18.628 300 HG13 ILE 41 HG13 ILE 41 25.029 13.051 -17.381 301 HG21 ILE 41 HG21 ILE 41 24.264 13.297 -21.196 302 HG22 ILE 41 HG22 ILE 41 25.982 13.352 -20.805 303 HG23 ILE 41 HG23 ILE 41 25.263 11.860 -21.411 304 HD11 ILE 41 HD11 ILE 41 27.276 13.046 -19.324 305 HD12 ILE 41 HD12 ILE 41 27.260 14.252 -18.037 306 HD13 ILE 41 HD13 ILE 41 27.236 12.535 -17.636 307 H HIS 42 H HIS 42 21.944 13.095 -21.131 308 HA HIS 42 HA HIS 42 22.111 15.837 -20.779 309 HB2 HIS 42 HB2 HIS 42 19.750 14.362 -21.960 310 HB3 HIS 42 HB3 HIS 42 20.234 16.022 -22.295 311 HD1 HIS 42 HD1 HIS 42 23.364 15.035 -22.498 312 HD2 HIS 42 HD2 HIS 42 20.086 13.738 -24.697 313 HE1 HIS 42 HE1 HIS 42 24.313 14.096 -24.629 314 H TRP 43 H TRP 43 19.593 13.611 -19.629 315 HA TRP 43 HA TRP 43 19.042 15.354 -17.393 316 HB2 TRP 43 HB2 TRP 43 16.641 15.582 -17.875 317 HB3 TRP 43 HB3 TRP 43 17.622 16.351 -19.119 318 HD1 TRP 43 HD1 TRP 43 17.466 15.392 -21.569 319 HE1 TRP 43 HE1 TRP 43 15.902 13.687 -22.696 320 HE3 TRP 43 HE3 TRP 43 15.330 13.365 -17.391 321 HZ2 TRP 43 HZ2 TRP 43 14.012 11.741 -21.917 322 HZ3 TRP 43 HZ3 TRP 43 13.652 11.587 -17.668 323 HH2 TRP 43 HH2 TRP 43 13.008 10.793 -19.886 324 H TRP 44 H TRP 44 18.587 14.159 -15.658 325 HA TRP 44 HA TRP 44 17.578 11.423 -16.081 326 HB2 TRP 44 HB2 TRP 44 19.876 12.417 -14.499 327 HB3 TRP 44 HB3 TRP 44 18.883 11.183 -13.727 328 HD1 TRP 44 HD1 TRP 44 19.439 11.096 -17.505 329 HE1 TRP 44 HE1 TRP 44 20.856 9.026 -18.084 330 HE3 TRP 44 HE3 TRP 44 20.647 9.591 -12.771 331 HZ2 TRP 44 HZ2 TRP 44 22.294 7.021 -16.714 332 HZ3 TRP 44 HZ3 TRP 44 22.047 7.586 -12.492 333 HH2 TRP 44 HH2 TRP 44 22.852 6.329 -14.424 334 H ARG 45 H ARG 45 15.604 11.188 -15.286 335 HA ARG 45 HA ARG 45 14.531 13.050 -13.367 336 HB2 ARG 45 HB2 ARG 45 13.481 11.296 -15.327 337 HB3 ARG 45 HB3 ARG 45 12.819 10.787 -13.779 338 HG2 ARG 45 HG2 ARG 45 12.745 13.674 -14.171 339 HG3 ARG 45 HG3 ARG 45 11.819 12.771 -15.372 340 HD2 ARG 45 HD2 ARG 45 11.565 12.242 -12.426 341 HD3 ARG 45 HD3 ARG 45 10.607 13.478 -13.240 342 HE ARG 45 HE ARG 45 10.179 10.668 -13.312 343 HH11 ARG 45 HH11 ARG 45 9.921 13.569 -15.219 344 HH12 ARG 45 HH12 ARG 45 8.645 12.955 -16.217 345 HH21 ARG 45 HH21 ARG 45 8.499 9.849 -14.619 346 HH22 ARG 45 HH22 ARG 45 7.836 10.840 -15.874 347 H VAL 46 H VAL 46 14.717 12.849 -11.245 348 HA VAL 46 HA VAL 46 14.745 10.161 -10.060 349 HB VAL 46 HB VAL 46 16.515 10.734 -8.527 350 HG11 VAL 46 HG11 VAL 46 17.779 11.646 -11.035 351 HG12 VAL 46 HG12 VAL 46 18.213 10.314 -9.962 352 HG13 VAL 46 HG13 VAL 46 16.890 10.124 -11.113 353 HG21 VAL 46 HG21 VAL 46 17.779 12.877 -8.833 354 HG22 VAL 46 HG22 VAL 46 16.472 13.425 -9.883 355 HG23 VAL 46 HG23 VAL 46 16.148 13.067 -8.187 356 H GLN 47 H GLN 47 14.455 10.303 -7.620 357 HA GLN 47 HA GLN 47 12.670 12.540 -6.928 358 HB2 GLN 47 HB2 GLN 47 11.240 10.673 -7.358 359 HB3 GLN 47 HB3 GLN 47 12.266 9.593 -6.421 360 HG2 GLN 47 HG2 GLN 47 11.531 10.437 -4.397 361 HG3 GLN 47 HG3 GLN 47 10.964 11.943 -5.117 362 HE21 GLN 47 HE21 GLN 47 8.871 11.967 -4.602 363 HE22 GLN 47 HE22 GLN 47 7.735 10.728 -5.000 364 H ASP 48 H ASP 48 12.845 13.364 -4.891 365 HA ASP 48 HA ASP 48 15.242 12.730 -3.437 366 HB2 ASP 48 HB2 ASP 48 13.006 14.692 -2.905 367 HB3 ASP 48 HB3 ASP 48 14.435 14.540 -1.887 368 H ARG 49 H ARG 49 14.779 12.909 -0.846 369 HA ARG 49 HA ARG 49 13.284 10.471 -0.272 370 HB2 ARG 49 HB2 ARG 49 14.439 10.479 1.868 371 HB3 ARG 49 HB3 ARG 49 15.595 10.677 0.558 372 HG2 ARG 49 HG2 ARG 49 15.275 13.222 1.054 373 HG3 ARG 49 HG3 ARG 49 14.712 12.635 2.620 374 HD2 ARG 49 HD2 ARG 49 17.267 11.578 1.505 375 HD3 ARG 49 HD3 ARG 49 17.247 13.192 2.213 376 HE ARG 49 HE ARG 49 17.116 10.700 3.608 377 HH11 ARG 49 HH11 ARG 49 16.164 14.047 3.714 378 HH12 ARG 49 HH12 ARG 49 16.053 14.096 5.442 379 HH21 ARG 49 HH21 ARG 49 16.973 10.752 5.884 380 HH22 ARG 49 HH22 ARG 49 16.514 12.221 6.675 381 H ASN 50 H ASN 50 12.192 13.323 -0.707 382 HA ASN 50 HA ASN 50 10.604 13.443 1.773 383 HB2 ASN 50 HB2 ASN 50 11.088 15.746 -0.120 384 HB3 ASN 50 HB3 ASN 50 10.381 15.810 1.491 385 HD21 ASN 50 HD21 ASN 50 13.319 15.386 -0.335 386 HD22 ASN 50 HD22 ASN 50 14.408 15.699 0.970 387 H GLY 51 H GLY 51 10.576 13.271 -1.690 388 HA2 GLY 51 HA2 GLY 51 8.554 12.137 -2.587 389 HA3 GLY 51 HA3 GLY 51 7.620 13.275 -1.626 390 H HIS 52 H HIS 52 10.495 14.307 -3.287 391 HA HIS 52 HA HIS 52 8.805 15.724 -5.242 392 HB2 HIS 52 HB2 HIS 52 11.446 16.698 -4.145 393 HB3 HIS 52 HB3 HIS 52 10.323 17.590 -5.167 394 HD1 HIS 52 HD1 HIS 52 11.182 16.990 -1.687 395 HD2 HIS 52 HD2 HIS 52 7.814 18.218 -3.786 396 HE1 HIS 52 HE1 HIS 52 9.672 18.045 0.024 397 H GLU 53 H GLU 53 9.174 15.249 -7.303 398 HA GLU 53 HA GLU 53 11.714 13.931 -7.996 399 HB2 GLU 53 HB2 GLU 53 9.164 13.780 -9.594 400 HB3 GLU 53 HB3 GLU 53 10.583 12.750 -9.718 401 HG2 GLU 53 HG2 GLU 53 9.311 11.334 -8.529 402 HG3 GLU 53 HG3 GLU 53 9.917 12.277 -7.168 403 H GLY 54 H GLY 54 12.906 14.640 -9.728 404 HA2 GLY 54 HA2 GLY 54 11.892 16.673 -11.511 405 HA3 GLY 54 HA3 GLY 54 13.087 17.266 -10.367 406 H TYR 55 H TYR 55 13.996 17.692 -12.673 407 HA TYR 55 HA TYR 55 15.415 15.350 -13.704 408 HB2 TYR 55 HB2 TYR 55 15.099 18.144 -14.818 409 HB3 TYR 55 HB3 TYR 55 16.029 16.865 -15.591 410 HD1 TYR 55 HD1 TYR 55 12.616 17.835 -14.519 411 HD2 TYR 55 HD2 TYR 55 14.968 15.232 -16.926 412 HE1 TYR 55 HE1 TYR 55 10.578 17.047 -15.647 413 HE2 TYR 55 HE2 TYR 55 12.936 14.437 -18.062 414 HH TYR 55 HH TYR 55 9.872 15.976 -17.637 415 H VAL 56 H VAL 56 17.615 15.162 -13.718 416 HA VAL 56 HA VAL 56 19.277 17.355 -12.784 417 HB VAL 56 HB VAL 56 20.396 15.788 -11.106 418 HG11 VAL 56 HG11 VAL 56 19.059 17.740 -10.468 419 HG12 VAL 56 HG12 VAL 56 17.598 16.751 -10.515 420 HG13 VAL 56 HG13 VAL 56 18.857 16.412 -9.326 421 HG21 VAL 56 HG21 VAL 56 18.927 14.068 -10.127 422 HG22 VAL 56 HG22 VAL 56 17.758 14.356 -11.416 423 HG23 VAL 56 HG23 VAL 56 19.354 13.713 -11.801 424 HA PRO 57 HA PRO 57 22.232 15.590 -15.508 425 HB2 PRO 57 HB2 PRO 57 24.560 16.307 -14.308 426 HB3 PRO 57 HB3 PRO 57 23.514 17.462 -15.142 427 HG2 PRO 57 HG2 PRO 57 23.747 16.890 -12.213 428 HG3 PRO 57 HG3 PRO 57 23.618 18.453 -13.041 429 HD2 PRO 57 HD2 PRO 57 21.505 17.262 -11.837 430 HD3 PRO 57 HD3 PRO 57 21.333 18.277 -13.284 431 H SER 58 H SER 58 23.034 13.605 -15.814 432 HA SER 58 HA SER 58 23.194 11.763 -13.623 433 HB2 SER 58 HB2 SER 58 22.383 11.140 -15.909 434 HB3 SER 58 HB3 SER 58 24.034 11.329 -16.499 435 HG SER 58 HG SER 58 24.642 9.701 -14.967 436 H SER 59 H SER 59 25.447 13.657 -15.472 437 HA SER 59 HA SER 59 27.817 12.270 -15.000 438 HB2 SER 59 HB2 SER 59 27.086 14.753 -16.113 439 HB3 SER 59 HB3 SER 59 28.273 15.114 -14.860 440 HG SER 59 HG SER 59 29.741 13.829 -15.875 441 H TYR 60 H TYR 60 25.833 14.067 -12.848 442 HA TYR 60 HA TYR 60 27.949 14.030 -10.801 443 HB2 TYR 60 HB2 TYR 60 25.429 15.702 -10.889 444 HB3 TYR 60 HB3 TYR 60 26.664 15.767 -9.637 445 HD1 TYR 60 HD2 TYR 60 26.272 16.168 -13.328 446 HD2 TYR 60 HD1 TYR 60 28.358 17.339 -9.809 447 HE1 TYR 60 HE2 TYR 60 27.485 17.873 -14.621 448 HE2 TYR 60 HE1 TYR 60 29.575 19.048 -11.093 449 HH TYR 60 HH TYR 60 30.218 19.474 -13.443 450 H LEU 61 H LEU 61 25.975 11.897 -11.713 451 HA LEU 61 HA LEU 61 25.036 11.212 -9.017 452 HB2 LEU 61 HB2 LEU 61 23.459 11.254 -11.558 453 HB3 LEU 61 HB3 LEU 61 23.050 10.113 -10.279 454 HG LEU 61 HG LEU 61 23.190 13.080 -9.805 455 HD11 LEU 61 HD11 LEU 61 20.684 12.984 -9.987 456 HD12 LEU 61 HD12 LEU 61 20.878 11.416 -10.771 457 HD13 LEU 61 HD13 LEU 61 21.562 12.863 -11.512 458 HD21 LEU 61 HD21 LEU 61 22.889 12.423 -7.704 459 HD22 LEU 61 HD22 LEU 61 22.677 10.743 -8.198 460 HD23 LEU 61 HD23 LEU 61 21.295 11.839 -8.180 461 H VAL 62 H VAL 62 25.460 9.171 -8.413 462 HA VAL 62 HA VAL 62 26.463 7.321 -10.479 463 HB VAL 62 HB VAL 62 27.312 7.599 -7.595 464 HG11 VAL 62 HG11 VAL 62 27.833 5.430 -9.600 465 HG12 VAL 62 HG12 VAL 62 28.973 5.769 -8.296 466 HG13 VAL 62 HG13 VAL 62 27.318 5.288 -7.919 467 HG21 VAL 62 HG21 VAL 62 29.006 7.763 -10.074 468 HG22 VAL 62 HG22 VAL 62 28.234 9.175 -9.354 469 HG23 VAL 62 HG23 VAL 62 29.421 8.254 -8.431 470 H GLU 63 H GLU 63 25.356 5.500 -10.749 471 HA GLU 63 HA GLU 63 23.007 4.916 -9.334 472 HB2 GLU 63 HB2 GLU 63 24.689 3.452 -11.318 473 HB3 GLU 63 HB3 GLU 63 23.447 2.559 -10.453 474 HG2 GLU 63 HG2 GLU 63 21.735 3.675 -11.466 475 HG3 GLU 63 HG3 GLU 63 22.695 5.128 -11.737 476 H LYS 64 H LYS 64 22.833 4.241 -7.311 477 HA LYS 64 HA LYS 64 25.015 3.049 -5.894 478 HB2 LYS 64 HB2 LYS 64 23.325 4.558 -4.847 479 HB3 LYS 64 HB3 LYS 64 22.123 3.290 -5.046 480 HG2 LYS 64 HG2 LYS 64 24.624 2.602 -3.611 481 HG3 LYS 64 HG3 LYS 64 23.453 3.633 -2.786 482 HD2 LYS 64 HD2 LYS 64 21.709 1.894 -3.387 483 HD3 LYS 64 HD3 LYS 64 23.051 0.848 -3.857 484 HE2 LYS 64 HE2 LYS 64 23.945 1.489 -1.464 485 HE3 LYS 64 HE3 LYS 64 22.239 1.813 -1.157 486 HZ1 LYS 64 HZ1 LYS 64 23.531 -0.646 -1.140 487 HZ2 LYS 64 HZ2 LYS 64 22.501 -0.659 -2.481 488 HZ3 LYS 64 HZ3 LYS 64 21.878 -0.346 -0.939 489 H SER 65 H SER 65 25.584 1.055 -6.583 490 HA SER 65 HA SER 65 25.502 -1.192 -6.923 491 HB2 SER 65 HB2 SER 65 24.417 -0.943 -4.574 492 HB3 SER 65 HB3 SER 65 22.906 -1.304 -5.409 493 HG SER 65 HG SER 65 25.236 -2.920 -5.295 494 HA PRO 66 HA PRO 66 22.389 -0.558 -10.312 495 HB2 PRO 66 HB2 PRO 66 24.135 -1.065 -12.329 496 HB3 PRO 66 HB3 PRO 66 23.926 0.541 -11.620 497 HG2 PRO 66 HG2 PRO 66 26.043 -1.506 -11.081 498 HG3 PRO 66 HG3 PRO 66 26.209 0.247 -11.292 499 HD2 PRO 66 HD2 PRO 66 26.201 -0.934 -8.855 500 HD3 PRO 66 HD3 PRO 66 25.551 0.696 -9.128 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -1.583 1.555 -3.618 2 HA2 GLY 1 HA2 GLY 1 -2.854 1.784 -5.570 3 HA3 GLY 1 HA3 GLY 1 -2.143 3.371 -5.820 4 HA PRO 2 HA PRO 2 0.703 1.814 -8.761 5 HB2 PRO 2 HB2 PRO 2 3.075 2.939 -8.069 6 HB3 PRO 2 HB3 PRO 2 1.742 3.863 -8.771 7 HG2 PRO 2 HG2 PRO 2 2.565 3.606 -5.905 8 HG3 PRO 2 HG3 PRO 2 2.066 5.053 -6.800 9 HD2 PRO 2 HD2 PRO 2 0.393 3.716 -5.144 10 HD3 PRO 2 HD3 PRO 2 -0.176 4.557 -6.600 11 H LEU 3 H LEU 3 0.670 -0.410 -8.229 12 HA LEU 3 HA LEU 3 2.370 -1.507 -6.210 13 HB2 LEU 3 HB2 LEU 3 0.314 -2.618 -6.897 14 HB3 LEU 3 HB3 LEU 3 0.957 -2.825 -8.525 15 HG LEU 3 HG LEU 3 2.802 -4.217 -7.404 16 HD11 LEU 3 HD11 LEU 3 2.712 -4.051 -5.159 17 HD12 LEU 3 HD12 LEU 3 1.528 -5.348 -5.322 18 HD13 LEU 3 HD13 LEU 3 0.988 -3.678 -5.145 19 HD21 LEU 3 HD21 LEU 3 0.435 -4.865 -8.586 20 HD22 LEU 3 HD22 LEU 3 0.307 -5.709 -7.043 21 HD23 LEU 3 HD23 LEU 3 1.677 -6.023 -8.109 22 H GLY 4 H GLY 4 4.478 -0.870 -6.598 23 HA2 GLY 4 HA2 GLY 4 6.588 -1.593 -7.365 24 HA3 GLY 4 HA3 GLY 4 5.805 -2.334 -8.753 25 H SER 5 H SER 5 8.135 -0.580 -8.674 26 HA SER 5 HA SER 5 7.090 1.727 -10.179 27 HB2 SER 5 HB2 SER 5 9.411 1.391 -8.344 28 HB3 SER 5 HB3 SER 5 9.611 2.487 -9.712 29 HG SER 5 HG SER 5 7.898 2.672 -7.507 30 HA PRO 6 HA PRO 6 9.023 0.391 -13.883 31 HB2 PRO 6 HB2 PRO 6 9.970 2.714 -14.922 32 HB3 PRO 6 HB3 PRO 6 8.248 2.316 -14.870 33 HG2 PRO 6 HG2 PRO 6 9.846 4.057 -13.033 34 HG3 PRO 6 HG3 PRO 6 8.233 4.334 -13.715 35 HD2 PRO 6 HD2 PRO 6 8.612 3.449 -11.184 36 HD3 PRO 6 HD3 PRO 6 7.205 2.979 -12.160 37 H GLU 7 H GLU 7 10.904 2.008 -11.485 38 HA GLU 7 HA GLU 7 13.258 0.529 -12.280 39 HB2 GLU 7 HB2 GLU 7 13.165 2.850 -13.494 40 HB3 GLU 7 HB3 GLU 7 13.652 3.476 -11.925 41 HG2 GLU 7 HG2 GLU 7 15.625 2.030 -11.964 42 HG3 GLU 7 HG3 GLU 7 15.141 1.423 -13.546 43 H GLU 8 H GLU 8 13.868 -0.384 -10.441 44 HA GLU 8 HA GLU 8 13.457 1.053 -7.919 45 HB2 GLU 8 HB2 GLU 8 13.881 -1.165 -6.864 46 HB3 GLU 8 HB3 GLU 8 12.495 -1.150 -7.945 47 HG2 GLU 8 HG2 GLU 8 13.627 -2.360 -9.598 48 HG3 GLU 8 HG3 GLU 8 15.200 -2.057 -8.862 49 H THR 9 H THR 9 15.447 2.234 -9.155 50 HA THR 9 HA THR 9 17.871 1.176 -7.856 51 HB THR 9 HB THR 9 17.841 2.719 -10.454 52 HG1 THR 9 HG1 THR 9 18.193 0.737 -11.449 53 HG21 THR 9 HG21 THR 9 20.207 1.537 -10.446 54 HG22 THR 9 HG22 THR 9 19.959 1.575 -8.701 55 HG23 THR 9 HG23 THR 9 19.949 3.076 -9.625 56 H VAL 10 H VAL 10 19.344 2.714 -7.037 57 HA VAL 10 HA VAL 10 18.189 5.402 -6.662 58 HB VAL 10 HB VAL 10 20.092 4.065 -4.746 59 HG11 VAL 10 HG11 VAL 10 19.075 5.747 -3.180 60 HG12 VAL 10 HG12 VAL 10 20.049 6.429 -4.484 61 HG13 VAL 10 HG13 VAL 10 18.289 6.471 -4.582 62 HG21 VAL 10 HG21 VAL 10 18.435 2.681 -4.182 63 HG22 VAL 10 HG22 VAL 10 17.612 4.097 -3.526 64 HG23 VAL 10 HG23 VAL 10 17.263 3.556 -5.168 65 H VAL 11 H VAL 11 19.679 7.169 -6.473 66 HA VAL 11 HA VAL 11 22.324 6.647 -7.662 67 HB VAL 11 HB VAL 11 22.150 8.777 -8.892 68 HG11 VAL 11 HG11 VAL 11 19.821 6.998 -9.580 69 HG12 VAL 11 HG12 VAL 11 20.813 7.963 -10.674 70 HG13 VAL 11 HG13 VAL 11 21.500 6.548 -9.876 71 HG21 VAL 11 HG21 VAL 11 19.269 8.762 -7.997 72 HG22 VAL 11 HG22 VAL 11 20.513 9.869 -7.419 73 HG23 VAL 11 HG23 VAL 11 20.012 9.912 -9.109 74 H ILE 12 H ILE 12 24.024 7.876 -6.913 75 HA ILE 12 HA ILE 12 23.475 9.400 -4.464 76 HB ILE 12 HB ILE 12 26.197 8.483 -5.349 77 HG12 ILE 12 HG12 ILE 12 24.171 6.929 -3.725 78 HG13 ILE 12 HG13 ILE 12 24.771 6.500 -5.323 79 HG21 ILE 12 HG21 ILE 12 26.880 8.939 -3.204 80 HG22 ILE 12 HG22 ILE 12 25.649 10.180 -3.433 81 HG23 ILE 12 HG23 ILE 12 25.267 8.716 -2.527 82 HD11 ILE 12 HD11 ILE 12 26.379 6.601 -2.783 83 HD12 ILE 12 HD12 ILE 12 25.839 5.153 -3.633 84 HD13 ILE 12 HD13 ILE 12 27.020 6.227 -4.382 85 H ALA 13 H ALA 13 23.951 11.514 -4.295 86 HA ALA 13 HA ALA 13 24.615 12.974 -6.675 87 HB1 ALA 13 HB1 ALA 13 23.735 13.639 -3.933 88 HB2 ALA 13 HB2 ALA 13 24.650 14.876 -4.795 89 HB3 ALA 13 HB3 ALA 13 23.160 14.238 -5.489 90 H LEU 14 H LEU 14 26.557 13.639 -7.324 91 HA LEU 14 HA LEU 14 28.861 13.119 -5.621 92 HB2 LEU 14 HB2 LEU 14 28.997 14.210 -8.405 93 HB3 LEU 14 HB3 LEU 14 30.174 13.222 -7.542 94 HG LEU 14 HG LEU 14 27.527 12.264 -8.631 95 HD11 LEU 14 HD11 LEU 14 29.343 10.844 -9.956 96 HD12 LEU 14 HD12 LEU 14 30.290 12.309 -9.696 97 HD13 LEU 14 HD13 LEU 14 28.744 12.396 -10.540 98 HD21 LEU 14 HD21 LEU 14 29.493 10.258 -7.924 99 HD22 LEU 14 HD22 LEU 14 27.790 10.377 -7.481 100 HD23 LEU 14 HD23 LEU 14 29.010 11.228 -6.532 101 H TYR 15 H TYR 15 27.048 15.784 -6.927 102 HA TYR 15 HA TYR 15 28.579 17.623 -5.275 103 HB2 TYR 15 HB2 TYR 15 28.164 18.176 -8.219 104 HB3 TYR 15 HB3 TYR 15 28.997 19.206 -7.060 105 HD1 TYR 15 HD2 TYR 15 31.226 18.605 -6.238 106 HD2 TYR 15 HD1 TYR 15 29.242 16.236 -9.164 107 HE1 TYR 15 HE2 TYR 15 33.354 17.496 -6.776 108 HE2 TYR 15 HE1 TYR 15 31.365 15.120 -9.708 109 HH TYR 15 HH TYR 15 34.079 16.047 -9.336 110 H ASP 16 H ASP 16 27.489 19.608 -4.860 111 HA ASP 16 HA ASP 16 24.671 19.337 -4.661 112 HB2 ASP 16 HB2 ASP 16 25.678 20.595 -2.949 113 HB3 ASP 16 HB3 ASP 16 26.594 21.578 -4.088 114 H TYR 17 H TYR 17 23.840 19.095 -6.741 115 HA TYR 17 HA TYR 17 24.349 21.006 -8.810 116 HB2 TYR 17 HB2 TYR 17 23.801 18.762 -9.462 117 HB3 TYR 17 HB3 TYR 17 22.304 18.799 -8.537 118 HD1 TYR 17 HD1 TYR 17 23.988 20.591 -11.349 119 HD2 TYR 17 HD2 TYR 17 20.326 19.250 -9.648 120 HE1 TYR 17 HE1 TYR 17 22.782 21.369 -13.347 121 HE2 TYR 17 HE2 TYR 17 19.110 20.023 -11.642 122 HH TYR 17 HH TYR 17 19.390 21.625 -13.461 123 H GLN 18 H GLN 18 22.963 22.578 -9.635 124 HA GLN 18 HA GLN 18 20.585 23.231 -8.050 125 HB2 GLN 18 HB2 GLN 18 22.981 24.957 -8.513 126 HB3 GLN 18 HB3 GLN 18 21.394 25.712 -8.426 127 HG2 GLN 18 HG2 GLN 18 21.109 24.480 -6.218 128 HG3 GLN 18 HG3 GLN 18 22.841 24.163 -6.307 129 HE21 GLN 18 HE21 GLN 18 20.531 26.239 -5.179 130 HE22 GLN 18 HE22 GLN 18 21.515 27.631 -4.902 131 H THR 19 H THR 19 18.886 23.538 -9.318 132 HA THR 19 HA THR 19 19.276 23.866 -12.182 133 HB THR 19 HB THR 19 17.663 22.198 -11.538 134 HG1 THR 19 HG1 THR 19 17.184 23.605 -13.375 135 HG21 THR 19 HG21 THR 19 16.592 24.392 -9.824 136 HG22 THR 19 HG22 THR 19 16.839 22.687 -9.447 137 HG23 THR 19 HG23 THR 19 15.475 23.179 -10.450 138 H ASN 20 H ASN 20 17.922 25.417 -13.385 139 HA ASN 20 HA ASN 20 17.924 28.003 -12.021 140 HB2 ASN 20 HB2 ASN 20 17.392 27.621 -14.954 141 HB3 ASN 20 HB3 ASN 20 18.090 29.011 -14.129 142 HD21 ASN 20 HD21 ASN 20 20.050 27.916 -12.630 143 HD22 ASN 20 HD22 ASN 20 21.242 27.181 -13.641 144 H ASP 21 H ASP 21 15.770 25.648 -13.354 145 HA ASP 21 HA ASP 21 13.499 27.434 -12.774 146 HB2 ASP 21 HB2 ASP 21 14.001 25.623 -15.088 147 HB3 ASP 21 HB3 ASP 21 12.347 25.771 -14.503 148 HA PRO 22 HA PRO 22 11.907 24.424 -10.011 149 HB2 PRO 22 HB2 PRO 22 9.236 24.557 -10.476 150 HB3 PRO 22 HB3 PRO 22 10.131 25.836 -9.646 151 HG2 PRO 22 HG2 PRO 22 9.255 25.684 -12.505 152 HG3 PRO 22 HG3 PRO 22 9.195 27.060 -11.388 153 HD2 PRO 22 HD2 PRO 22 11.128 26.791 -13.265 154 HD3 PRO 22 HD3 PRO 22 11.421 27.570 -11.697 155 H GLN 23 H GLN 23 11.364 24.072 -13.395 156 HA GLN 23 HA GLN 23 9.899 21.700 -13.492 157 HB2 GLN 23 HB2 GLN 23 10.668 23.298 -15.394 158 HB3 GLN 23 HB3 GLN 23 12.098 22.277 -15.450 159 HG2 GLN 23 HG2 GLN 23 10.550 20.316 -15.743 160 HG3 GLN 23 HG3 GLN 23 9.247 21.484 -15.960 161 HE21 GLN 23 HE21 GLN 23 8.757 21.656 -18.018 162 HE22 GLN 23 HE22 GLN 23 9.874 21.712 -19.335 163 H GLU 24 H GLU 24 13.364 22.247 -13.108 164 HA GLU 24 HA GLU 24 13.788 19.353 -12.868 165 HB2 GLU 24 HB2 GLU 24 15.965 21.427 -12.888 166 HB3 GLU 24 HB3 GLU 24 16.070 19.723 -13.306 167 HG2 GLU 24 HG2 GLU 24 14.277 20.608 -15.141 168 HG3 GLU 24 HG3 GLU 24 15.306 22.026 -14.944 169 H LEU 25 H LEU 25 15.397 18.685 -11.168 170 HA LEU 25 HA LEU 25 14.801 20.115 -8.666 171 HB2 LEU 25 HB2 LEU 25 14.593 17.386 -9.399 172 HB3 LEU 25 HB3 LEU 25 15.871 17.518 -8.193 173 HG LEU 25 HG LEU 25 14.334 18.513 -6.615 174 HD11 LEU 25 HD11 LEU 25 11.806 18.252 -7.564 175 HD12 LEU 25 HD12 LEU 25 12.661 18.793 -9.008 176 HD13 LEU 25 HD13 LEU 25 12.716 19.763 -7.536 177 HD21 LEU 25 HD21 LEU 25 14.218 16.270 -6.255 178 HD22 LEU 25 HD22 LEU 25 13.692 15.918 -7.902 179 HD23 LEU 25 HD23 LEU 25 12.543 16.556 -6.725 180 H ALA 26 H ALA 26 16.536 19.676 -6.930 181 HA ALA 26 HA ALA 26 19.179 20.127 -8.155 182 HB1 ALA 26 HB1 ALA 26 19.360 21.090 -5.580 183 HB2 ALA 26 HB2 ALA 26 19.111 22.055 -7.036 184 HB3 ALA 26 HB3 ALA 26 17.727 21.542 -6.071 185 H LEU 27 H LEU 27 21.019 19.231 -7.133 186 HA LEU 27 HA LEU 27 20.407 16.849 -5.522 187 HB2 LEU 27 HB2 LEU 27 22.858 17.443 -7.172 188 HB3 LEU 27 HB3 LEU 27 22.512 15.938 -6.323 189 HG LEU 27 HG LEU 27 20.629 16.897 -8.435 190 HD11 LEU 27 HD11 LEU 27 22.209 15.197 -9.818 191 HD12 LEU 27 HD12 LEU 27 23.411 16.038 -8.839 192 HD13 LEU 27 HD13 LEU 27 22.336 16.954 -9.895 193 HD21 LEU 27 HD21 LEU 27 19.701 14.925 -8.032 194 HD22 LEU 27 HD22 LEU 27 20.912 14.610 -6.789 195 HD23 LEU 27 HD23 LEU 27 21.207 14.111 -8.456 196 H ARG 28 H ARG 28 21.918 16.244 -3.839 197 HA ARG 28 HA ARG 28 23.405 18.527 -2.723 198 HB2 ARG 28 HB2 ARG 28 21.117 17.813 -1.625 199 HB3 ARG 28 HB3 ARG 28 22.099 16.541 -0.912 200 HG2 ARG 28 HG2 ARG 28 22.945 19.401 -0.713 201 HG3 ARG 28 HG3 ARG 28 21.741 18.734 0.391 202 HD2 ARG 28 HD2 ARG 28 23.473 16.852 0.764 203 HD3 ARG 28 HD3 ARG 28 24.623 17.988 0.061 204 HE ARG 28 HE ARG 28 23.491 18.089 2.681 205 HH11 ARG 28 HH11 ARG 28 24.745 20.032 0.079 206 HH12 ARG 28 HH12 ARG 28 25.207 21.347 1.109 207 HH21 ARG 28 HH21 ARG 28 24.095 19.813 4.048 208 HH22 ARG 28 HH22 ARG 28 24.837 21.220 3.367 209 H ARG 29 H ARG 29 25.456 18.109 -2.208 210 HA ARG 29 HA ARG 29 26.782 15.796 -2.902 211 HB2 ARG 29 HB2 ARG 29 27.687 18.140 -2.225 212 HB3 ARG 29 HB3 ARG 29 27.744 17.465 -0.602 213 HG2 ARG 29 HG2 ARG 29 29.267 15.750 -1.309 214 HG3 ARG 29 HG3 ARG 29 29.114 16.255 -2.993 215 HD2 ARG 29 HD2 ARG 29 29.896 18.573 -1.996 216 HD3 ARG 29 HD3 ARG 29 30.578 17.538 -0.743 217 HE ARG 29 HE ARG 29 31.508 17.829 -3.442 218 HH11 ARG 29 HH11 ARG 29 31.379 15.710 -0.683 219 HH12 ARG 29 HH12 ARG 29 32.799 14.825 -1.132 220 HH21 ARG 29 HH21 ARG 29 33.379 16.671 -4.044 221 HH22 ARG 29 HH22 ARG 29 33.936 15.373 -3.043 222 H ASN 30 H ASN 30 27.170 13.865 -1.983 223 HA ASN 30 HA ASN 30 27.054 12.111 -0.540 224 HB2 ASN 30 HB2 ASN 30 28.253 13.924 0.911 225 HB3 ASN 30 HB3 ASN 30 26.719 13.992 1.773 226 HD21 ASN 30 HD21 ASN 30 27.988 13.268 3.594 227 HD22 ASN 30 HD22 ASN 30 28.308 11.581 3.788 228 H GLU 31 H GLU 31 24.768 12.455 -1.768 229 HA GLU 31 HA GLU 31 22.790 11.804 0.271 230 HB2 GLU 31 HB2 GLU 31 22.752 14.328 -0.523 231 HB3 GLU 31 HB3 GLU 31 21.900 13.647 -1.902 232 HG2 GLU 31 HG2 GLU 31 20.116 12.912 -0.588 233 HG3 GLU 31 HG3 GLU 31 21.037 13.068 0.906 234 H GLU 32 H GLU 32 20.891 10.731 -0.607 235 HA GLU 32 HA GLU 32 21.497 9.372 -3.149 236 HB2 GLU 32 HB2 GLU 32 20.410 8.421 -0.559 237 HB3 GLU 32 HB3 GLU 32 19.707 7.718 -2.009 238 HG2 GLU 32 HG2 GLU 32 21.646 6.667 -2.612 239 HG3 GLU 32 HG3 GLU 32 22.668 7.831 -1.772 240 H TYR 33 H TYR 33 19.725 8.826 -4.534 241 HA TYR 33 HA TYR 33 17.201 10.212 -4.042 242 HB2 TYR 33 HB2 TYR 33 18.955 10.680 -6.458 243 HB3 TYR 33 HB3 TYR 33 17.263 11.156 -6.371 244 HD1 TYR 33 HD1 TYR 33 16.558 12.987 -4.914 245 HD2 TYR 33 HD2 TYR 33 20.655 11.888 -5.237 246 HE1 TYR 33 HE1 TYR 33 17.205 15.115 -3.863 247 HE2 TYR 33 HE2 TYR 33 21.314 14.012 -4.186 248 HH TYR 33 HH TYR 33 19.104 16.587 -3.705 249 H CYS 34 H CYS 34 15.525 8.985 -4.600 250 HA CYS 34 HA CYS 34 15.887 6.399 -5.694 251 HB2 CYS 34 HB2 CYS 34 13.363 8.012 -5.271 252 HB3 CYS 34 HB3 CYS 34 13.400 6.303 -5.688 253 HG CYS 34 HG CYS 34 14.248 7.785 -2.748 254 H LEU 35 H LEU 35 16.537 6.163 -7.743 255 HA LEU 35 HA LEU 35 16.006 7.950 -9.846 256 HB2 LEU 35 HB2 LEU 35 17.744 5.988 -9.562 257 HB3 LEU 35 HB3 LEU 35 16.498 5.065 -10.400 258 HG LEU 35 HG LEU 35 18.222 5.879 -11.933 259 HD11 LEU 35 HD11 LEU 35 15.526 5.942 -12.302 260 HD12 LEU 35 HD12 LEU 35 16.726 6.192 -13.569 261 HD13 LEU 35 HD13 LEU 35 15.989 7.579 -12.768 262 HD21 LEU 35 HD21 LEU 35 19.106 7.898 -11.704 263 HD22 LEU 35 HD22 LEU 35 17.962 8.263 -10.412 264 HD23 LEU 35 HD23 LEU 35 17.547 8.629 -12.087 265 H LEU 36 H LEU 36 14.368 8.143 -11.254 266 HA LEU 36 HA LEU 36 12.197 6.156 -11.094 267 HB2 LEU 36 HB2 LEU 36 11.920 9.049 -11.879 268 HB3 LEU 36 HB3 LEU 36 10.627 7.896 -11.555 269 HG LEU 36 HG LEU 36 12.540 8.579 -9.369 270 HD11 LEU 36 HD11 LEU 36 11.573 10.593 -8.848 271 HD12 LEU 36 HD12 LEU 36 10.099 10.245 -9.752 272 HD13 LEU 36 HD13 LEU 36 11.579 10.672 -10.610 273 HD21 LEU 36 HD21 LEU 36 10.819 6.794 -9.150 274 HD22 LEU 36 HD22 LEU 36 9.577 8.027 -9.365 275 HD23 LEU 36 HD23 LEU 36 10.655 8.096 -7.971 276 H ASP 37 H ASP 37 13.750 8.499 -13.276 277 HA ASP 37 HA ASP 37 13.321 6.614 -15.482 278 HB2 ASP 37 HB2 ASP 37 11.968 9.103 -15.180 279 HB3 ASP 37 HB3 ASP 37 13.099 9.261 -16.521 280 H SER 38 H SER 38 15.160 6.206 -16.503 281 HA SER 38 HA SER 38 17.214 8.304 -16.634 282 HB2 SER 38 HB2 SER 38 18.917 6.408 -16.327 283 HB3 SER 38 HB3 SER 38 18.045 6.941 -14.890 284 HG SER 38 HG SER 38 17.686 4.597 -16.415 285 H SER 39 H SER 39 16.827 8.723 -18.784 286 HA SER 39 HA SER 39 17.042 6.490 -20.673 287 HB2 SER 39 HB2 SER 39 16.240 9.353 -21.238 288 HB3 SER 39 HB3 SER 39 16.086 7.975 -22.328 289 HG SER 39 HG SER 39 14.138 8.615 -21.140 290 H GLU 40 H GLU 40 18.402 9.696 -20.003 291 HA GLU 40 HA GLU 40 20.965 8.867 -21.023 292 HB2 GLU 40 HB2 GLU 40 19.455 9.725 -22.990 293 HB3 GLU 40 HB3 GLU 40 19.841 11.311 -22.337 294 HG2 GLU 40 HG2 GLU 40 22.115 11.080 -22.795 295 HG3 GLU 40 HG3 GLU 40 21.991 9.332 -22.986 296 H ILE 41 H ILE 41 22.635 10.512 -20.678 297 HA ILE 41 HA ILE 41 22.523 11.644 -18.142 298 HB ILE 41 HB ILE 41 24.638 11.167 -19.261 299 HG12 ILE 41 HG12 ILE 41 24.390 14.120 -18.657 300 HG13 ILE 41 HG13 ILE 41 24.520 12.862 -17.433 301 HG21 ILE 41 HG21 ILE 41 23.863 11.916 -21.521 302 HG22 ILE 41 HG22 ILE 41 24.118 13.577 -20.989 303 HG23 ILE 41 HG23 ILE 41 25.481 12.461 -21.077 304 HD11 ILE 41 HD11 ILE 41 26.729 12.479 -17.868 305 HD12 ILE 41 HD12 ILE 41 26.612 13.036 -19.537 306 HD13 ILE 41 HD13 ILE 41 26.619 14.204 -18.216 307 H HIS 42 H HIS 42 21.250 12.804 -21.092 308 HA HIS 42 HA HIS 42 21.365 15.558 -20.820 309 HB2 HIS 42 HB2 HIS 42 19.262 13.758 -22.010 310 HB3 HIS 42 HB3 HIS 42 19.126 15.513 -22.068 311 HD1 HIS 42 HD1 HIS 42 22.151 13.301 -22.729 312 HD2 HIS 42 HD2 HIS 42 19.777 16.140 -24.618 313 HE1 HIS 42 HE1 HIS 42 23.231 13.701 -24.965 314 H TRP 43 H TRP 43 18.950 13.308 -19.508 315 HA TRP 43 HA TRP 43 18.444 15.103 -17.302 316 HB2 TRP 43 HB2 TRP 43 16.027 15.271 -17.691 317 HB3 TRP 43 HB3 TRP 43 16.932 16.004 -19.012 318 HD1 TRP 43 HD1 TRP 43 16.680 14.939 -21.409 319 HE1 TRP 43 HE1 TRP 43 15.101 13.157 -22.386 320 HE3 TRP 43 HE3 TRP 43 14.790 13.050 -17.050 321 HZ2 TRP 43 HZ2 TRP 43 13.293 11.208 -21.435 322 HZ3 TRP 43 HZ3 TRP 43 13.140 11.229 -17.171 323 HH2 TRP 43 HH2 TRP 43 12.408 10.329 -19.320 324 H TRP 44 H TRP 44 18.098 13.948 -15.517 325 HA TRP 44 HA TRP 44 17.135 11.179 -15.817 326 HB2 TRP 44 HB2 TRP 44 19.480 12.266 -14.371 327 HB3 TRP 44 HB3 TRP 44 18.552 11.033 -13.522 328 HD1 TRP 44 HD1 TRP 44 18.951 10.865 -17.320 329 HE1 TRP 44 HE1 TRP 44 20.381 8.807 -17.907 330 HE3 TRP 44 HE3 TRP 44 20.373 9.491 -12.605 331 HZ2 TRP 44 HZ2 TRP 44 21.909 6.858 -16.552 332 HZ3 TRP 44 HZ3 TRP 44 21.818 7.518 -12.337 333 HH2 TRP 44 HH2 TRP 44 22.569 6.230 -14.271 334 H ARG 45 H ARG 45 15.198 10.941 -14.937 335 HA ARG 45 HA ARG 45 14.181 12.827 -13.011 336 HB2 ARG 45 HB2 ARG 45 13.093 10.832 -14.800 337 HB3 ARG 45 HB3 ARG 45 12.396 10.674 -13.193 338 HG2 ARG 45 HG2 ARG 45 12.546 13.405 -14.311 339 HG3 ARG 45 HG3 ARG 45 11.400 12.292 -15.061 340 HD2 ARG 45 HD2 ARG 45 10.768 11.795 -12.550 341 HD3 ARG 45 HD3 ARG 45 11.450 13.401 -12.299 342 HE ARG 45 HE ARG 45 9.506 13.246 -14.422 343 HH11 ARG 45 HH11 ARG 45 10.035 13.769 -11.021 344 HH12 ARG 45 HH12 ARG 45 8.566 14.659 -10.796 345 HH21 ARG 45 HH21 ARG 45 7.569 14.418 -14.139 346 HH22 ARG 45 HH22 ARG 45 7.164 15.027 -12.570 347 H VAL 46 H VAL 46 14.389 12.667 -10.885 348 HA VAL 46 HA VAL 46 14.558 10.007 -9.656 349 HB VAL 46 HB VAL 46 16.352 10.677 -8.184 350 HG11 VAL 46 HG11 VAL 46 17.605 11.554 -10.679 351 HG12 VAL 46 HG12 VAL 46 17.955 10.155 -9.662 352 HG13 VAL 46 HG13 VAL 46 16.637 10.088 -10.833 353 HG21 VAL 46 HG21 VAL 46 15.911 13.014 -7.919 354 HG22 VAL 46 HG22 VAL 46 17.541 12.840 -8.571 355 HG23 VAL 46 HG23 VAL 46 16.213 13.318 -9.630 356 H GLN 47 H GLN 47 14.363 10.203 -7.201 357 HA GLN 47 HA GLN 47 12.561 12.410 -6.473 358 HB2 GLN 47 HB2 GLN 47 11.121 10.545 -6.900 359 HB3 GLN 47 HB3 GLN 47 12.153 9.462 -5.976 360 HG2 GLN 47 HG2 GLN 47 11.455 10.326 -3.940 361 HG3 GLN 47 HG3 GLN 47 10.855 11.815 -4.668 362 HE21 GLN 47 HE21 GLN 47 9.258 10.531 -2.942 363 HE22 GLN 47 HE22 GLN 47 7.946 9.767 -3.766 364 H ASP 48 H ASP 48 12.724 13.172 -4.396 365 HA ASP 48 HA ASP 48 15.161 12.518 -3.000 366 HB2 ASP 48 HB2 ASP 48 12.957 14.502 -2.413 367 HB3 ASP 48 HB3 ASP 48 14.408 14.328 -1.430 368 H ARG 49 H ARG 49 14.763 12.657 -0.409 369 HA ARG 49 HA ARG 49 13.220 10.250 0.168 370 HB2 ARG 49 HB2 ARG 49 15.007 11.759 2.072 371 HB3 ARG 49 HB3 ARG 49 14.470 10.088 2.187 372 HG2 ARG 49 HG2 ARG 49 16.343 9.465 1.193 373 HG3 ARG 49 HG3 ARG 49 15.814 10.306 -0.265 374 HD2 ARG 49 HD2 ARG 49 17.792 11.382 0.082 375 HD3 ARG 49 HD3 ARG 49 16.737 12.406 1.054 376 HE ARG 49 HE ARG 49 17.939 10.224 2.503 377 HH11 ARG 49 HH11 ARG 49 18.279 13.527 1.456 378 HH12 ARG 49 HH12 ARG 49 19.395 13.947 2.713 379 HH21 ARG 49 HH21 ARG 49 19.407 10.765 4.162 380 HH22 ARG 49 HH22 ARG 49 20.037 12.375 4.251 381 H ASN 50 H ASN 50 12.197 13.142 -0.196 382 HA ASN 50 HA ASN 50 10.666 13.258 2.320 383 HB2 ASN 50 HB2 ASN 50 11.171 15.589 0.467 384 HB3 ASN 50 HB3 ASN 50 10.517 15.634 2.102 385 HD21 ASN 50 HD21 ASN 50 13.392 15.040 0.192 386 HD22 ASN 50 HD22 ASN 50 14.526 15.339 1.460 387 H GLY 51 H GLY 51 10.564 13.161 -1.144 388 HA2 GLY 51 HA2 GLY 51 8.483 12.104 -2.011 389 HA3 GLY 51 HA3 GLY 51 7.612 13.266 -1.022 390 H HIS 52 H HIS 52 10.494 14.186 -2.742 391 HA HIS 52 HA HIS 52 8.824 15.709 -4.633 392 HB2 HIS 52 HB2 HIS 52 11.544 16.521 -3.597 393 HB3 HIS 52 HB3 HIS 52 10.458 17.483 -4.596 394 HD1 HIS 52 HD1 HIS 52 11.342 16.815 -1.134 395 HD2 HIS 52 HD2 HIS 52 8.018 18.257 -3.167 396 HE1 HIS 52 HE1 HIS 52 9.929 17.952 0.608 397 H GLU 53 H GLU 53 9.078 15.190 -6.698 398 HA GLU 53 HA GLU 53 11.562 13.823 -7.500 399 HB2 GLU 53 HB2 GLU 53 8.919 13.628 -8.936 400 HB3 GLU 53 HB3 GLU 53 10.332 12.599 -9.123 401 HG2 GLU 53 HG2 GLU 53 9.341 11.187 -7.735 402 HG3 GLU 53 HG3 GLU 53 9.691 12.344 -6.451 403 H GLY 54 H GLY 54 12.608 14.446 -9.372 404 HA2 GLY 54 HA2 GLY 54 11.500 16.429 -11.136 405 HA3 GLY 54 HA3 GLY 54 12.737 17.080 -10.069 406 H TYR 55 H TYR 55 13.620 17.479 -12.344 407 HA TYR 55 HA TYR 55 15.000 15.116 -13.396 408 HB2 TYR 55 HB2 TYR 55 14.598 17.871 -14.576 409 HB3 TYR 55 HB3 TYR 55 15.513 16.582 -15.349 410 HD1 TYR 55 HD1 TYR 55 12.131 17.506 -14.136 411 HD2 TYR 55 HD2 TYR 55 14.425 14.928 -16.624 412 HE1 TYR 55 HE1 TYR 55 10.060 16.658 -15.156 413 HE2 TYR 55 HE2 TYR 55 12.361 14.073 -17.652 414 HH TYR 55 HH TYR 55 9.372 15.575 -17.297 415 H VAL 56 H VAL 56 17.208 14.981 -13.532 416 HA VAL 56 HA VAL 56 18.862 17.220 -12.706 417 HB VAL 56 HB VAL 56 20.086 15.704 -11.050 418 HG11 VAL 56 HG11 VAL 56 17.320 16.433 -10.145 419 HG12 VAL 56 HG12 VAL 56 18.839 16.530 -9.253 420 HG13 VAL 56 HG13 VAL 56 18.510 17.665 -10.562 421 HG21 VAL 56 HG21 VAL 56 17.452 14.237 -11.167 422 HG22 VAL 56 HG22 VAL 56 19.014 13.606 -11.688 423 HG23 VAL 56 HG23 VAL 56 18.732 13.964 -9.985 424 HA PRO 57 HA PRO 57 21.734 15.459 -15.520 425 HB2 PRO 57 HB2 PRO 57 24.097 16.237 -14.433 426 HB3 PRO 57 HB3 PRO 57 22.996 17.359 -15.241 427 HG2 PRO 57 HG2 PRO 57 23.363 16.843 -12.315 428 HG3 PRO 57 HG3 PRO 57 23.170 18.388 -13.163 429 HD2 PRO 57 HD2 PRO 57 21.132 17.182 -11.851 430 HD3 PRO 57 HD3 PRO 57 20.881 18.168 -13.306 431 H SER 58 H SER 58 22.541 13.477 -15.823 432 HA SER 58 HA SER 58 22.827 11.676 -13.616 433 HB2 SER 58 HB2 SER 58 21.946 10.999 -15.856 434 HB3 SER 58 HB3 SER 58 23.567 11.218 -16.515 435 HG SER 58 HG SER 58 24.108 9.356 -15.718 436 H SER 59 H SER 59 24.980 13.569 -15.588 437 HA SER 59 HA SER 59 27.389 12.235 -15.169 438 HB2 SER 59 HB2 SER 59 26.569 14.698 -16.288 439 HB3 SER 59 HB3 SER 59 27.822 15.078 -15.106 440 HG SER 59 HG SER 59 29.115 14.496 -16.661 441 H TYR 60 H TYR 60 25.453 14.053 -12.987 442 HA TYR 60 HA TYR 60 27.643 14.113 -11.021 443 HB2 TYR 60 HB2 TYR 60 25.064 15.695 -11.058 444 HB3 TYR 60 HB3 TYR 60 26.322 15.817 -9.833 445 HD1 TYR 60 HD2 TYR 60 25.855 16.142 -13.524 446 HD2 TYR 60 HD1 TYR 60 27.943 17.455 -10.057 447 HE1 TYR 60 HE2 TYR 60 26.984 17.868 -14.864 448 HE2 TYR 60 HE1 TYR 60 29.077 19.185 -11.388 449 HH TYR 60 HH TYR 60 29.486 19.212 -14.404 450 H LEU 61 H LEU 61 25.708 11.895 -11.818 451 HA LEU 61 HA LEU 61 24.914 11.221 -9.074 452 HB2 LEU 61 HB2 LEU 61 23.219 11.177 -11.538 453 HB3 LEU 61 HB3 LEU 61 22.905 10.045 -10.225 454 HG LEU 61 HG LEU 61 22.972 13.024 -9.808 455 HD11 LEU 61 HD11 LEU 61 20.502 12.923 -9.907 456 HD12 LEU 61 HD12 LEU 61 20.623 11.275 -10.521 457 HD13 LEU 61 HD13 LEU 61 21.274 12.616 -11.463 458 HD21 LEU 61 HD21 LEU 61 22.468 10.655 -8.166 459 HD22 LEU 61 HD22 LEU 61 21.240 11.912 -8.016 460 HD23 LEU 61 HD23 LEU 61 22.933 12.289 -7.693 461 H VAL 62 H VAL 62 25.425 9.200 -8.466 462 HA VAL 62 HA VAL 62 26.362 7.343 -10.557 463 HB VAL 62 HB VAL 62 27.406 7.703 -7.746 464 HG11 VAL 62 HG11 VAL 62 27.692 5.478 -9.691 465 HG12 VAL 62 HG12 VAL 62 29.117 5.952 -8.764 466 HG13 VAL 62 HG13 VAL 62 27.649 5.444 -7.929 467 HG21 VAL 62 HG21 VAL 62 29.422 8.434 -8.740 468 HG22 VAL 62 HG22 VAL 62 28.905 7.922 -10.347 469 HG23 VAL 62 HG23 VAL 62 28.132 9.304 -9.570 470 H GLU 63 H GLU 63 25.303 5.480 -10.702 471 HA GLU 63 HA GLU 63 23.052 4.843 -9.208 472 HB2 GLU 63 HB2 GLU 63 24.601 3.622 -11.304 473 HB3 GLU 63 HB3 GLU 63 24.114 2.402 -10.136 474 HG2 GLU 63 HG2 GLU 63 21.768 3.482 -10.375 475 HG3 GLU 63 HG3 GLU 63 22.421 4.136 -11.875 476 H LYS 64 H LYS 64 22.891 4.332 -7.138 477 HA LYS 64 HA LYS 64 25.112 3.480 -5.572 478 HB2 LYS 64 HB2 LYS 64 23.217 4.846 -4.701 479 HB3 LYS 64 HB3 LYS 64 22.176 3.436 -4.849 480 HG2 LYS 64 HG2 LYS 64 24.670 3.135 -3.276 481 HG3 LYS 64 HG3 LYS 64 23.363 4.093 -2.575 482 HD2 LYS 64 HD2 LYS 64 21.830 2.159 -3.044 483 HD3 LYS 64 HD3 LYS 64 23.259 1.220 -3.481 484 HE2 LYS 64 HE2 LYS 64 23.115 0.639 -1.286 485 HE3 LYS 64 HE3 LYS 64 24.084 2.102 -1.116 486 HZ1 LYS 64 HZ1 LYS 64 21.145 2.257 -1.009 487 HZ2 LYS 64 HZ2 LYS 64 22.293 3.302 -0.338 488 HZ3 LYS 64 HZ3 LYS 64 22.017 1.787 0.362 489 H SER 65 H SER 65 25.942 1.524 -6.083 490 HA SER 65 HA SER 65 24.497 -0.812 -5.305 491 HB2 SER 65 HB2 SER 65 24.782 -0.155 -8.200 492 HB3 SER 65 HB3 SER 65 24.997 -1.836 -7.712 493 HG SER 65 HG SER 65 22.831 -1.468 -8.180 494 HA PRO 66 HA PRO 66 28.543 -2.376 -4.658 495 HB2 PRO 66 HB2 PRO 66 28.228 -5.031 -5.131 496 HB3 PRO 66 HB3 PRO 66 27.572 -4.226 -3.700 497 HG2 PRO 66 HG2 PRO 66 26.192 -4.983 -6.246 498 HG3 PRO 66 HG3 PRO 66 25.625 -5.147 -4.575 499 HD2 PRO 66 HD2 PRO 66 24.819 -3.133 -6.196 500 HD3 PRO 66 HD3 PRO 66 24.991 -2.935 -4.440 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -2.398 -0.795 -8.769 2 HA2 GLY 1 HA2 GLY 1 -0.352 -1.384 -6.939 3 HA3 GLY 1 HA3 GLY 1 -0.759 -2.346 -8.352 4 HA PRO 2 HA PRO 2 3.521 -0.573 -8.865 5 HB2 PRO 2 HB2 PRO 2 4.710 -2.944 -9.445 6 HB3 PRO 2 HB3 PRO 2 4.511 -2.347 -7.793 7 HG2 PRO 2 HG2 PRO 2 2.865 -4.345 -9.296 8 HG3 PRO 2 HG3 PRO 2 3.429 -4.398 -7.616 9 HD2 PRO 2 HD2 PRO 2 0.907 -3.676 -8.283 10 HD3 PRO 2 HD3 PRO 2 1.753 -3.000 -6.876 11 H LEU 3 H LEU 3 4.562 -0.192 -10.813 12 HA LEU 3 HA LEU 3 3.053 -0.971 -13.193 13 HB2 LEU 3 HB2 LEU 3 5.112 1.155 -12.666 14 HB3 LEU 3 HB3 LEU 3 4.547 0.764 -14.289 15 HG LEU 3 HG LEU 3 2.189 1.255 -13.287 16 HD11 LEU 3 HD11 LEU 3 2.394 1.645 -11.065 17 HD12 LEU 3 HD12 LEU 3 2.680 3.288 -11.638 18 HD13 LEU 3 HD13 LEU 3 4.043 2.255 -11.209 19 HD21 LEU 3 HD21 LEU 3 2.473 3.647 -13.861 20 HD22 LEU 3 HD22 LEU 3 3.167 2.556 -15.061 21 HD23 LEU 3 HD23 LEU 3 4.218 3.395 -13.918 22 H GLY 4 H GLY 4 6.166 -1.373 -11.676 23 HA2 GLY 4 HA2 GLY 4 7.533 -3.269 -12.144 24 HA3 GLY 4 HA3 GLY 4 6.864 -3.313 -13.768 25 H SER 5 H SER 5 7.266 -0.284 -13.841 26 HA SER 5 HA SER 5 9.600 -0.228 -15.335 27 HB2 SER 5 HB2 SER 5 7.835 1.798 -14.100 28 HB3 SER 5 HB3 SER 5 9.468 2.344 -14.479 29 HG SER 5 HG SER 5 8.522 2.643 -16.366 30 HA PRO 6 HA PRO 6 12.999 -0.083 -12.568 31 HB2 PRO 6 HB2 PRO 6 14.627 1.751 -13.733 32 HB3 PRO 6 HB3 PRO 6 14.363 0.137 -14.404 33 HG2 PRO 6 HG2 PRO 6 13.110 2.741 -15.185 34 HG3 PRO 6 HG3 PRO 6 13.726 1.441 -16.221 35 HD2 PRO 6 HD2 PRO 6 11.090 1.757 -15.692 36 HD3 PRO 6 HD3 PRO 6 11.825 0.164 -15.963 37 H GLU 7 H GLU 7 11.546 0.919 -10.905 38 HA GLU 7 HA GLU 7 12.497 3.629 -10.263 39 HB2 GLU 7 HB2 GLU 7 10.287 4.106 -9.260 40 HB3 GLU 7 HB3 GLU 7 10.198 3.826 -10.994 41 HG2 GLU 7 HG2 GLU 7 8.436 2.568 -10.346 42 HG3 GLU 7 HG3 GLU 7 9.703 1.352 -10.195 43 H GLU 8 H GLU 8 13.405 0.940 -9.433 44 HA GLU 8 HA GLU 8 12.937 1.207 -6.535 45 HB2 GLU 8 HB2 GLU 8 13.370 -1.222 -6.358 46 HB3 GLU 8 HB3 GLU 8 11.952 -0.856 -7.330 47 HG2 GLU 8 HG2 GLU 8 12.923 -2.431 -8.644 48 HG3 GLU 8 HG3 GLU 8 13.687 -0.986 -9.304 49 H THR 9 H THR 9 14.994 2.428 -8.300 50 HA THR 9 HA THR 9 17.380 1.315 -6.973 51 HB THR 9 HB THR 9 17.358 2.715 -9.652 52 HG1 THR 9 HG1 THR 9 17.686 -0.067 -9.128 53 HG21 THR 9 HG21 THR 9 19.517 2.980 -8.963 54 HG22 THR 9 HG22 THR 9 19.645 1.346 -9.615 55 HG23 THR 9 HG23 THR 9 19.457 1.590 -7.879 56 H VAL 10 H VAL 10 18.978 2.797 -6.290 57 HA VAL 10 HA VAL 10 17.995 5.561 -6.000 58 HB VAL 10 HB VAL 10 19.944 4.219 -4.136 59 HG11 VAL 10 HG11 VAL 10 19.108 6.015 -2.596 60 HG12 VAL 10 HG12 VAL 10 20.019 6.596 -3.991 61 HG13 VAL 10 HG13 VAL 10 18.258 6.710 -3.976 62 HG21 VAL 10 HG21 VAL 10 18.258 2.934 -3.434 63 HG22 VAL 10 HG22 VAL 10 17.564 4.410 -2.763 64 HG23 VAL 10 HG23 VAL 10 17.065 3.847 -4.358 65 H VAL 11 H VAL 11 19.577 7.255 -5.991 66 HA VAL 11 HA VAL 11 22.121 6.541 -7.292 67 HB VAL 11 HB VAL 11 21.972 8.622 -8.621 68 HG11 VAL 11 HG11 VAL 11 20.280 7.812 -10.223 69 HG12 VAL 11 HG12 VAL 11 21.338 6.523 -9.644 70 HG13 VAL 11 HG13 VAL 11 19.700 6.675 -9.006 71 HG21 VAL 11 HG21 VAL 11 19.801 9.759 -8.826 72 HG22 VAL 11 HG22 VAL 11 19.159 8.746 -7.533 73 HG23 VAL 11 HG23 VAL 11 20.462 9.885 -7.196 74 H ILE 12 H ILE 12 23.915 7.724 -6.705 75 HA ILE 12 HA ILE 12 23.576 9.396 -4.317 76 HB ILE 12 HB ILE 12 26.207 8.343 -5.312 77 HG12 ILE 12 HG12 ILE 12 24.227 6.920 -3.521 78 HG13 ILE 12 HG13 ILE 12 24.724 6.411 -5.131 79 HG21 ILE 12 HG21 ILE 12 26.945 8.676 -3.090 80 HG22 ILE 12 HG22 ILE 12 26.040 10.123 -3.531 81 HG23 ILE 12 HG23 ILE 12 25.298 8.899 -2.500 82 HD11 ILE 12 HD11 ILE 12 25.843 5.092 -3.457 83 HD12 ILE 12 HD12 ILE 12 27.015 6.109 -4.295 84 HD13 ILE 12 HD13 ILE 12 26.462 6.548 -2.680 85 H ALA 13 H ALA 13 24.142 11.495 -4.284 86 HA ALA 13 HA ALA 13 24.679 12.822 -6.765 87 HB1 ALA 13 HB1 ALA 13 23.791 13.559 -4.132 88 HB2 ALA 13 HB2 ALA 13 25.056 14.656 -4.687 89 HB3 ALA 13 HB3 ALA 13 23.604 14.420 -5.660 90 H LEU 14 H LEU 14 26.579 13.408 -7.600 91 HA LEU 14 HA LEU 14 29.004 12.800 -6.110 92 HB2 LEU 14 HB2 LEU 14 28.820 13.810 -8.934 93 HB3 LEU 14 HB3 LEU 14 30.155 12.946 -8.174 94 HG LEU 14 HG LEU 14 27.466 11.786 -8.904 95 HD11 LEU 14 HD11 LEU 14 30.146 11.795 -10.197 96 HD12 LEU 14 HD12 LEU 14 28.542 11.906 -10.920 97 HD13 LEU 14 HD13 LEU 14 29.138 10.354 -10.333 98 HD21 LEU 14 HD21 LEU 14 29.498 9.861 -8.299 99 HD22 LEU 14 HD22 LEU 14 27.907 10.070 -7.568 100 HD23 LEU 14 HD23 LEU 14 29.293 10.959 -6.934 101 H TYR 15 H TYR 15 27.261 15.545 -7.397 102 HA TYR 15 HA TYR 15 28.961 17.327 -5.846 103 HB2 TYR 15 HB2 TYR 15 28.441 17.862 -8.775 104 HB3 TYR 15 HB3 TYR 15 29.413 18.834 -7.676 105 HD1 TYR 15 HD1 TYR 15 29.272 15.687 -9.579 106 HD2 TYR 15 HD2 TYR 15 31.670 18.217 -7.139 107 HE1 TYR 15 HE1 TYR 15 31.270 14.404 -10.221 108 HE2 TYR 15 HE2 TYR 15 33.674 16.941 -7.776 109 HH TYR 15 HH TYR 15 34.447 15.482 -9.532 110 H ASP 16 H ASP 16 28.023 19.437 -5.526 111 HA ASP 16 HA ASP 16 25.208 19.326 -5.143 112 HB2 ASP 16 HB2 ASP 16 26.858 21.845 -5.037 113 HB3 ASP 16 HB3 ASP 16 25.408 21.448 -4.120 114 H TYR 17 H TYR 17 24.146 19.099 -7.083 115 HA TYR 17 HA TYR 17 24.650 20.948 -9.255 116 HB2 TYR 17 HB2 TYR 17 24.161 18.690 -9.889 117 HB3 TYR 17 HB3 TYR 17 22.697 18.669 -8.913 118 HD1 TYR 17 HD1 TYR 17 24.235 20.237 -11.908 119 HD2 TYR 17 HD2 TYR 17 20.636 19.322 -9.831 120 HE1 TYR 17 HE1 TYR 17 22.930 20.960 -13.863 121 HE2 TYR 17 HE2 TYR 17 19.321 20.041 -11.781 122 HH TYR 17 HH TYR 17 19.420 21.166 -13.754 123 H GLN 18 H GLN 18 23.170 22.448 -10.072 124 HA GLN 18 HA GLN 18 20.851 23.064 -8.382 125 HB2 GLN 18 HB2 GLN 18 23.215 24.747 -8.882 126 HB3 GLN 18 HB3 GLN 18 21.672 25.559 -9.113 127 HG2 GLN 18 HG2 GLN 18 21.961 23.963 -6.648 128 HG3 GLN 18 HG3 GLN 18 22.934 25.429 -6.762 129 HE21 GLN 18 HE21 GLN 18 21.696 26.263 -5.015 130 HE22 GLN 18 HE22 GLN 18 20.123 26.921 -5.288 131 H THR 19 H THR 19 19.110 24.013 -9.435 132 HA THR 19 HA THR 19 19.269 23.946 -12.374 133 HB THR 19 HB THR 19 17.690 22.322 -11.676 134 HG1 THR 19 HG1 THR 19 16.942 23.720 -13.363 135 HG21 THR 19 HG21 THR 19 16.916 22.513 -9.580 136 HG22 THR 19 HG22 THR 19 15.666 23.548 -10.270 137 HG23 THR 19 HG23 THR 19 17.119 24.264 -9.574 138 H ASN 20 H ASN 20 17.942 25.492 -13.552 139 HA ASN 20 HA ASN 20 17.985 28.104 -12.242 140 HB2 ASN 20 HB2 ASN 20 17.546 28.909 -14.635 141 HB3 ASN 20 HB3 ASN 20 19.111 28.167 -14.316 142 HD21 ASN 20 HD21 ASN 20 19.201 27.827 -16.609 143 HD22 ASN 20 HD22 ASN 20 18.396 26.468 -17.309 144 H ASP 21 H ASP 21 15.786 25.715 -13.398 145 HA ASP 21 HA ASP 21 13.538 27.538 -12.840 146 HB2 ASP 21 HB2 ASP 21 13.980 25.637 -15.085 147 HB3 ASP 21 HB3 ASP 21 12.345 25.755 -14.441 148 HA PRO 22 HA PRO 22 12.030 24.684 -9.872 149 HB2 PRO 22 HB2 PRO 22 9.345 24.800 -10.258 150 HB3 PRO 22 HB3 PRO 22 10.268 26.118 -9.527 151 HG2 PRO 22 HG2 PRO 22 9.302 25.818 -12.344 152 HG3 PRO 22 HG3 PRO 22 9.279 27.251 -11.300 153 HD2 PRO 22 HD2 PRO 22 11.151 26.877 -13.221 154 HD3 PRO 22 HD3 PRO 22 11.495 27.737 -11.706 155 H GLN 23 H GLN 23 11.436 24.141 -13.211 156 HA GLN 23 HA GLN 23 9.956 21.759 -13.116 157 HB2 GLN 23 HB2 GLN 23 10.565 23.256 -15.136 158 HB3 GLN 23 HB3 GLN 23 12.041 22.303 -15.211 159 HG2 GLN 23 HG2 GLN 23 10.512 20.262 -15.270 160 HG3 GLN 23 HG3 GLN 23 9.213 21.403 -15.614 161 HE21 GLN 23 HE21 GLN 23 8.979 20.267 -17.620 162 HE22 GLN 23 HE22 GLN 23 10.024 20.630 -18.946 163 H GLU 24 H GLU 24 13.433 22.362 -12.975 164 HA GLU 24 HA GLU 24 13.906 19.491 -12.596 165 HB2 GLU 24 HB2 GLU 24 16.057 21.572 -12.869 166 HB3 GLU 24 HB3 GLU 24 16.147 19.849 -13.206 167 HG2 GLU 24 HG2 GLU 24 14.220 20.664 -14.954 168 HG3 GLU 24 HG3 GLU 24 15.297 22.059 -14.914 169 H LEU 25 H LEU 25 15.487 18.858 -10.927 170 HA LEU 25 HA LEU 25 15.120 20.486 -8.505 171 HB2 LEU 25 HB2 LEU 25 14.799 17.708 -9.046 172 HB3 LEU 25 HB3 LEU 25 16.099 17.904 -7.872 173 HG LEU 25 HG LEU 25 14.603 19.074 -6.366 174 HD11 LEU 25 HD11 LEU 25 13.019 19.370 -8.739 175 HD12 LEU 25 HD12 LEU 25 12.858 20.174 -7.177 176 HD13 LEU 25 HD13 LEU 25 12.063 18.624 -7.457 177 HD21 LEU 25 HD21 LEU 25 12.823 16.850 -6.965 178 HD22 LEU 25 HD22 LEU 25 13.818 17.154 -5.541 179 HD23 LEU 25 HD23 LEU 25 14.526 16.391 -6.965 180 H ALA 26 H ALA 26 16.941 20.029 -6.836 181 HA ALA 26 HA ALA 26 19.517 20.328 -8.237 182 HB1 ALA 26 HB1 ALA 26 19.239 22.364 -7.211 183 HB2 ALA 26 HB2 ALA 26 18.379 21.676 -5.833 184 HB3 ALA 26 HB3 ALA 26 20.126 21.481 -5.968 185 H LEU 27 H LEU 27 21.354 19.318 -7.392 186 HA LEU 27 HA LEU 27 20.764 17.043 -5.632 187 HB2 LEU 27 HB2 LEU 27 23.170 17.443 -7.396 188 HB3 LEU 27 HB3 LEU 27 22.687 15.963 -6.569 189 HG LEU 27 HG LEU 27 20.936 17.195 -8.669 190 HD11 LEU 27 HD11 LEU 27 22.295 15.123 -9.895 191 HD12 LEU 27 HD12 LEU 27 23.557 16.021 -9.053 192 HD13 LEU 27 HD13 LEU 27 22.506 16.846 -10.204 193 HD21 LEU 27 HD21 LEU 27 19.786 15.517 -7.558 194 HD22 LEU 27 HD22 LEU 27 21.229 14.524 -7.349 195 HD23 LEU 27 HD23 LEU 27 20.476 14.662 -8.938 196 H ARG 28 H ARG 28 22.310 16.439 -4.006 197 HA ARG 28 HA ARG 28 23.995 18.673 -3.085 198 HB2 ARG 28 HB2 ARG 28 21.850 18.354 -1.772 199 HB3 ARG 28 HB3 ARG 28 22.493 16.801 -1.257 200 HG2 ARG 28 HG2 ARG 28 22.987 18.270 0.490 201 HG3 ARG 28 HG3 ARG 28 24.504 18.098 -0.395 202 HD2 ARG 28 HD2 ARG 28 23.886 20.196 -1.640 203 HD3 ARG 28 HD3 ARG 28 22.557 20.392 -0.498 204 HE ARG 28 HE ARG 28 25.348 20.880 -0.012 205 HH11 ARG 28 HH11 ARG 28 22.274 20.131 1.438 206 HH12 ARG 28 HH12 ARG 28 22.701 20.774 2.989 207 HH21 ARG 28 HH21 ARG 28 25.923 21.730 2.025 208 HH22 ARG 28 HH22 ARG 28 24.777 21.684 3.321 209 H ARG 29 H ARG 29 26.061 18.155 -2.816 210 HA ARG 29 HA ARG 29 27.180 15.719 -3.440 211 HB2 ARG 29 HB2 ARG 29 28.288 18.032 -3.075 212 HB3 ARG 29 HB3 ARG 29 28.450 17.521 -1.400 213 HG2 ARG 29 HG2 ARG 29 29.986 15.889 -1.901 214 HG3 ARG 29 HG3 ARG 29 29.428 15.726 -3.567 215 HD2 ARG 29 HD2 ARG 29 31.386 16.850 -3.919 216 HD3 ARG 29 HD3 ARG 29 30.283 18.213 -3.734 217 HE ARG 29 HE ARG 29 31.323 17.530 -1.218 218 HH11 ARG 29 HH11 ARG 29 32.331 18.914 -4.249 219 HH12 ARG 29 HH12 ARG 29 33.590 19.872 -3.543 220 HH21 ARG 29 HH21 ARG 29 32.978 18.787 -0.276 221 HH22 ARG 29 HH22 ARG 29 33.957 19.798 -1.283 222 H ASN 30 H ASN 30 27.645 13.862 -2.384 223 HA ASN 30 HA ASN 30 27.607 12.240 -0.789 224 HB2 ASN 30 HB2 ASN 30 27.558 14.472 1.247 225 HB3 ASN 30 HB3 ASN 30 28.132 12.823 1.477 226 HD21 ASN 30 HD21 ASN 30 29.484 15.402 1.846 227 HD22 ASN 30 HD22 ASN 30 30.903 15.329 0.864 228 H GLU 31 H GLU 31 25.251 12.504 -1.876 229 HA GLU 31 HA GLU 31 23.415 12.037 0.328 230 HB2 GLU 31 HB2 GLU 31 23.412 14.529 -0.764 231 HB3 GLU 31 HB3 GLU 31 22.235 13.718 -1.788 232 HG2 GLU 31 HG2 GLU 31 21.951 13.339 1.128 233 HG3 GLU 31 HG3 GLU 31 21.588 14.940 0.487 234 H GLU 32 H GLU 32 21.288 11.179 -0.493 235 HA GLU 32 HA GLU 32 21.725 9.607 -2.948 236 HB2 GLU 32 HB2 GLU 32 20.698 8.845 -0.265 237 HB3 GLU 32 HB3 GLU 32 19.929 8.096 -1.657 238 HG2 GLU 32 HG2 GLU 32 21.789 6.913 -2.231 239 HG3 GLU 32 HG3 GLU 32 22.894 8.101 -1.539 240 H TYR 33 H TYR 33 19.788 9.008 -4.136 241 HA TYR 33 HA TYR 33 17.404 10.601 -3.613 242 HB2 TYR 33 HB2 TYR 33 19.013 10.797 -6.164 243 HB3 TYR 33 HB3 TYR 33 17.367 11.397 -5.991 244 HD1 TYR 33 HD2 TYR 33 20.874 11.930 -5.085 245 HD2 TYR 33 HD1 TYR 33 16.897 13.385 -4.677 246 HE1 TYR 33 HE2 TYR 33 21.748 14.063 -4.227 247 HE2 TYR 33 HE1 TYR 33 17.760 15.522 -3.819 248 HH TYR 33 HH TYR 33 19.592 16.772 -3.499 249 H CYS 34 H CYS 34 15.613 9.477 -4.026 250 HA CYS 34 HA CYS 34 15.769 6.798 -4.969 251 HB2 CYS 34 HB2 CYS 34 13.537 8.624 -4.148 252 HB3 CYS 34 HB3 CYS 34 13.168 7.097 -4.941 253 HG CYS 34 HG CYS 34 14.088 7.688 -1.802 254 H LEU 35 H LEU 35 16.225 6.414 -7.046 255 HA LEU 35 HA LEU 35 15.619 8.122 -9.195 256 HB2 LEU 35 HB2 LEU 35 17.261 6.061 -8.927 257 HB3 LEU 35 HB3 LEU 35 15.908 5.200 -9.658 258 HG LEU 35 HG LEU 35 17.576 5.848 -11.320 259 HD11 LEU 35 HD11 LEU 35 16.009 6.241 -12.874 260 HD12 LEU 35 HD12 LEU 35 15.411 7.682 -12.053 261 HD13 LEU 35 HD13 LEU 35 14.879 6.085 -11.528 262 HD21 LEU 35 HD21 LEU 35 17.651 8.247 -9.850 263 HD22 LEU 35 HD22 LEU 35 17.048 8.656 -11.456 264 HD23 LEU 35 HD23 LEU 35 18.592 7.819 -11.279 265 H LEU 36 H LEU 36 13.898 8.305 -10.512 266 HA LEU 36 HA LEU 36 11.659 6.437 -10.087 267 HB2 LEU 36 HB2 LEU 36 11.635 9.396 -10.636 268 HB3 LEU 36 HB3 LEU 36 10.204 8.377 -10.770 269 HG LEU 36 HG LEU 36 11.194 7.864 -8.219 270 HD11 LEU 36 HD11 LEU 36 12.360 10.233 -8.972 271 HD12 LEU 36 HD12 LEU 36 12.072 9.704 -7.315 272 HD13 LEU 36 HD13 LEU 36 10.910 10.760 -8.117 273 HD21 LEU 36 HD21 LEU 36 9.190 9.382 -7.604 274 HD22 LEU 36 HD22 LEU 36 8.897 7.903 -8.519 275 HD23 LEU 36 HD23 LEU 36 8.928 9.461 -9.346 276 H ASP 37 H ASP 37 13.112 8.668 -12.447 277 HA ASP 37 HA ASP 37 12.427 6.756 -14.562 278 HB2 ASP 37 HB2 ASP 37 11.148 9.252 -14.206 279 HB3 ASP 37 HB3 ASP 37 12.220 9.429 -15.592 280 H SER 38 H SER 38 14.258 6.171 -15.503 281 HA SER 38 HA SER 38 16.386 8.187 -15.814 282 HB2 SER 38 HB2 SER 38 17.893 6.058 -15.884 283 HB3 SER 38 HB3 SER 38 17.323 6.653 -14.325 284 HG SER 38 HG SER 38 17.076 4.279 -14.985 285 H SER 39 H SER 39 15.683 8.813 -17.870 286 HA SER 39 HA SER 39 15.465 6.809 -19.962 287 HB2 SER 39 HB2 SER 39 13.959 8.863 -19.763 288 HB3 SER 39 HB3 SER 39 15.342 9.804 -20.322 289 HG SER 39 HG SER 39 14.936 9.153 -22.269 290 H GLU 40 H GLU 40 17.552 9.549 -19.121 291 HA GLU 40 HA GLU 40 19.877 8.352 -20.158 292 HB2 GLU 40 HB2 GLU 40 18.400 9.181 -22.230 293 HB3 GLU 40 HB3 GLU 40 19.213 10.695 -21.861 294 HG2 GLU 40 HG2 GLU 40 21.045 10.011 -22.887 295 HG3 GLU 40 HG3 GLU 40 21.128 8.579 -21.863 296 H ILE 41 H ILE 41 21.725 9.954 -20.263 297 HA ILE 41 HA ILE 41 21.949 11.343 -17.879 298 HB ILE 41 HB ILE 41 23.928 10.720 -19.083 299 HG12 ILE 41 HG12 ILE 41 23.866 13.732 -19.198 300 HG13 ILE 41 HG13 ILE 41 23.872 12.857 -17.671 301 HG21 ILE 41 HG21 ILE 41 22.950 12.594 -21.229 302 HG22 ILE 41 HG22 ILE 41 24.567 11.894 -21.185 303 HG23 ILE 41 HG23 ILE 41 23.157 10.847 -21.347 304 HD11 ILE 41 HD11 ILE 41 25.973 12.434 -19.769 305 HD12 ILE 41 HD12 ILE 41 26.101 13.680 -18.527 306 HD13 ILE 41 HD13 ILE 41 26.013 11.981 -18.065 307 H HIS 42 H HIS 42 20.456 12.310 -20.824 308 HA HIS 42 HA HIS 42 20.662 15.073 -20.747 309 HB2 HIS 42 HB2 HIS 42 18.209 13.499 -21.553 310 HB3 HIS 42 HB3 HIS 42 18.623 15.132 -22.064 311 HD1 HIS 42 HD1 HIS 42 21.746 14.088 -22.463 312 HD2 HIS 42 HD2 HIS 42 18.268 12.743 -24.297 313 HE1 HIS 42 HE1 HIS 42 22.491 13.013 -24.612 314 H TRP 43 H TRP 43 18.247 12.993 -19.173 315 HA TRP 43 HA TRP 43 17.941 14.912 -17.040 316 HB2 TRP 43 HB2 TRP 43 15.521 15.197 -17.314 317 HB3 TRP 43 HB3 TRP 43 16.390 15.813 -18.718 318 HD1 TRP 43 HD1 TRP 43 15.945 14.651 -21.039 319 HE1 TRP 43 HE1 TRP 43 14.225 12.911 -21.839 320 HE3 TRP 43 HE3 TRP 43 14.212 13.076 -16.495 321 HZ2 TRP 43 HZ2 TRP 43 12.378 11.110 -20.694 322 HZ3 TRP 43 HZ3 TRP 43 12.468 11.341 -16.435 323 HH2 TRP 43 HH2 TRP 43 11.571 10.380 -18.492 324 H TRP 44 H TRP 44 17.630 13.858 -15.187 325 HA TRP 44 HA TRP 44 16.515 11.132 -15.308 326 HB2 TRP 44 HB2 TRP 44 18.989 12.155 -14.054 327 HB3 TRP 44 HB3 TRP 44 18.042 11.044 -13.068 328 HD1 TRP 44 HD1 TRP 44 18.099 10.527 -16.838 329 HE1 TRP 44 HE1 TRP 44 19.405 8.373 -17.365 330 HE3 TRP 44 HE3 TRP 44 19.961 9.546 -12.179 331 HZ2 TRP 44 HZ2 TRP 44 21.012 6.504 -15.988 332 HZ3 TRP 44 HZ3 TRP 44 21.374 7.556 -11.868 333 HH2 TRP 44 HH2 TRP 44 21.887 6.067 -13.734 334 H ARG 45 H ARG 45 14.654 10.963 -14.265 335 HA ARG 45 HA ARG 45 13.809 13.008 -12.409 336 HB2 ARG 45 HB2 ARG 45 12.543 10.978 -14.034 337 HB3 ARG 45 HB3 ARG 45 11.926 10.933 -12.388 338 HG2 ARG 45 HG2 ARG 45 11.810 13.567 -12.807 339 HG3 ARG 45 HG3 ARG 45 11.634 13.005 -14.470 340 HD2 ARG 45 HD2 ARG 45 9.693 11.773 -13.955 341 HD3 ARG 45 HD3 ARG 45 9.985 11.891 -12.220 342 HE ARG 45 HE ARG 45 8.723 13.855 -13.909 343 HH11 ARG 45 HH11 ARG 45 10.391 13.276 -10.909 344 HH12 ARG 45 HH12 ARG 45 9.732 14.672 -10.122 345 HH21 ARG 45 HH21 ARG 45 7.850 15.697 -12.885 346 HH22 ARG 45 HH22 ARG 45 8.287 16.048 -11.247 347 H VAL 46 H VAL 46 14.446 12.943 -10.361 348 HA VAL 46 HA VAL 46 14.428 10.348 -8.971 349 HB VAL 46 HB VAL 46 16.389 10.943 -7.701 350 HG11 VAL 46 HG11 VAL 46 17.828 10.264 -9.283 351 HG12 VAL 46 HG12 VAL 46 16.404 10.215 -10.325 352 HG13 VAL 46 HG13 VAL 46 17.462 11.626 -10.341 353 HG21 VAL 46 HG21 VAL 46 16.363 13.515 -9.278 354 HG22 VAL 46 HG22 VAL 46 16.085 13.336 -7.545 355 HG23 VAL 46 HG23 VAL 46 17.676 12.990 -8.223 356 H GLN 47 H GLN 47 14.380 10.635 -6.550 357 HA GLN 47 HA GLN 47 12.798 13.008 -5.815 358 HB2 GLN 47 HB2 GLN 47 11.263 11.173 -5.952 359 HB3 GLN 47 HB3 GLN 47 12.344 10.126 -5.041 360 HG2 GLN 47 HG2 GLN 47 11.826 11.107 -3.031 361 HG3 GLN 47 HG3 GLN 47 11.328 12.624 -3.778 362 HE21 GLN 47 HE21 GLN 47 10.379 9.251 -4.319 363 HE22 GLN 47 HE22 GLN 47 8.689 9.506 -4.067 364 H ASP 48 H ASP 48 13.194 13.923 -3.835 365 HA ASP 48 HA ASP 48 15.738 13.317 -2.642 366 HB2 ASP 48 HB2 ASP 48 13.611 15.334 -1.892 367 HB3 ASP 48 HB3 ASP 48 15.200 15.230 -1.140 368 H ARG 49 H ARG 49 15.544 13.678 -0.014 369 HA ARG 49 HA ARG 49 14.127 11.280 0.856 370 HB2 ARG 49 HB2 ARG 49 16.261 12.982 2.142 371 HB3 ARG 49 HB3 ARG 49 15.454 11.666 2.984 372 HG2 ARG 49 HG2 ARG 49 16.215 10.182 1.063 373 HG3 ARG 49 HG3 ARG 49 17.271 11.519 0.604 374 HD2 ARG 49 HD2 ARG 49 18.534 11.353 2.550 375 HD3 ARG 49 HD3 ARG 49 17.271 10.469 3.407 376 HE ARG 49 HE ARG 49 19.292 9.372 1.673 377 HH11 ARG 49 HH11 ARG 49 16.159 8.885 3.112 378 HH12 ARG 49 HH12 ARG 49 16.222 7.159 2.980 379 HH21 ARG 49 HH21 ARG 49 19.387 7.100 1.494 380 HH22 ARG 49 HH22 ARG 49 18.059 6.144 2.060 381 H ASN 50 H ASN 50 12.978 14.095 0.362 382 HA ASN 50 HA ASN 50 11.659 14.372 2.983 383 HB2 ASN 50 HB2 ASN 50 11.928 16.558 0.917 384 HB3 ASN 50 HB3 ASN 50 11.406 16.717 2.591 385 HD21 ASN 50 HD21 ASN 50 14.140 16.035 0.507 386 HD22 ASN 50 HD22 ASN 50 15.360 16.476 1.648 387 H GLY 51 H GLY 51 11.273 13.993 -0.441 388 HA2 GLY 51 HA2 GLY 51 9.174 12.813 -1.055 389 HA3 GLY 51 HA3 GLY 51 8.340 14.008 -0.072 390 H HIS 52 H HIS 52 11.024 14.880 -2.119 391 HA HIS 52 HA HIS 52 9.134 16.226 -3.937 392 HB2 HIS 52 HB2 HIS 52 11.910 17.185 -3.224 393 HB3 HIS 52 HB3 HIS 52 10.700 18.044 -4.172 394 HD1 HIS 52 HD1 HIS 52 11.928 17.628 -0.773 395 HD2 HIS 52 HD2 HIS 52 8.389 18.857 -2.569 396 HE1 HIS 52 HE1 HIS 52 10.652 18.844 1.020 397 H GLU 53 H GLU 53 9.249 15.661 -6.007 398 HA GLU 53 HA GLU 53 11.637 14.198 -6.915 399 HB2 GLU 53 HB2 GLU 53 8.906 14.086 -8.186 400 HB3 GLU 53 HB3 GLU 53 10.264 13.000 -8.446 401 HG2 GLU 53 HG2 GLU 53 9.300 11.650 -6.977 402 HG3 GLU 53 HG3 GLU 53 9.800 12.801 -5.739 403 H GLY 54 H GLY 54 12.713 14.845 -8.717 404 HA2 GLY 54 HA2 GLY 54 11.559 16.809 -10.511 405 HA3 GLY 54 HA3 GLY 54 12.895 17.400 -9.534 406 H TYR 55 H TYR 55 13.578 17.693 -11.928 407 HA TYR 55 HA TYR 55 14.796 15.245 -12.982 408 HB2 TYR 55 HB2 TYR 55 14.415 17.974 -14.227 409 HB3 TYR 55 HB3 TYR 55 15.217 16.622 -15.019 410 HD1 TYR 55 HD1 TYR 55 11.975 17.721 -13.583 411 HD2 TYR 55 HD2 TYR 55 13.970 14.983 -16.158 412 HE1 TYR 55 HE1 TYR 55 9.801 16.929 -14.415 413 HE2 TYR 55 HE2 TYR 55 11.801 14.184 -16.998 414 HH TYR 55 HH TYR 55 8.802 15.760 -16.134 415 H VAL 56 H VAL 56 16.981 15.017 -13.283 416 HA VAL 56 HA VAL 56 18.787 17.205 -12.696 417 HB VAL 56 HB VAL 56 20.050 15.729 -11.025 418 HG11 VAL 56 HG11 VAL 56 17.417 16.670 -9.950 419 HG12 VAL 56 HG12 VAL 56 19.024 16.791 -9.230 420 HG13 VAL 56 HG13 VAL 56 18.590 17.816 -10.598 421 HG21 VAL 56 HG21 VAL 56 18.793 13.671 -11.444 422 HG22 VAL 56 HG22 VAL 56 18.695 14.150 -9.749 423 HG23 VAL 56 HG23 VAL 56 17.329 14.438 -10.826 424 HA PRO 57 HA PRO 57 21.378 15.113 -15.556 425 HB2 PRO 57 HB2 PRO 57 23.844 15.827 -14.674 426 HB3 PRO 57 HB3 PRO 57 22.750 16.954 -15.485 427 HG2 PRO 57 HG2 PRO 57 23.284 16.607 -12.560 428 HG3 PRO 57 HG3 PRO 57 23.114 18.103 -13.497 429 HD2 PRO 57 HD2 PRO 57 21.108 17.097 -11.981 430 HD3 PRO 57 HD3 PRO 57 20.811 18.000 -13.480 431 H SER 58 H SER 58 21.991 13.055 -15.755 432 HA SER 58 HA SER 58 22.364 11.400 -13.454 433 HB2 SER 58 HB2 SER 58 22.137 9.629 -14.889 434 HB3 SER 58 HB3 SER 58 21.442 10.882 -15.917 435 HG SER 58 HG SER 58 23.717 11.138 -16.680 436 H SER 59 H SER 59 24.457 13.066 -15.661 437 HA SER 59 HA SER 59 26.816 11.612 -15.378 438 HB2 SER 59 HB2 SER 59 26.055 14.037 -16.565 439 HB3 SER 59 HB3 SER 59 27.348 14.457 -15.443 440 HG SER 59 HG SER 59 27.940 13.753 -17.666 441 H TYR 60 H TYR 60 25.170 13.644 -13.134 442 HA TYR 60 HA TYR 60 27.503 13.639 -11.343 443 HB2 TYR 60 HB2 TYR 60 25.002 15.339 -11.242 444 HB3 TYR 60 HB3 TYR 60 26.346 15.435 -10.110 445 HD1 TYR 60 HD2 TYR 60 25.613 15.703 -13.760 446 HD2 TYR 60 HD1 TYR 60 28.047 16.961 -10.504 447 HE1 TYR 60 HE2 TYR 60 26.724 17.334 -15.228 448 HE2 TYR 60 HE1 TYR 60 29.164 18.596 -11.963 449 HH TYR 60 HH TYR 60 29.576 18.980 -14.321 450 H LEU 61 H LEU 61 25.385 11.505 -11.913 451 HA LEU 61 HA LEU 61 24.780 10.959 -9.090 452 HB2 LEU 61 HB2 LEU 61 22.924 10.898 -11.432 453 HB3 LEU 61 HB3 LEU 61 22.663 9.805 -10.074 454 HG LEU 61 HG LEU 61 22.834 12.795 -9.760 455 HD11 LEU 61 HD11 LEU 61 20.992 12.407 -11.229 456 HD12 LEU 61 HD12 LEU 61 20.347 12.704 -9.614 457 HD13 LEU 61 HD13 LEU 61 20.422 11.058 -10.245 458 HD21 LEU 61 HD21 LEU 61 21.226 11.719 -7.800 459 HD22 LEU 61 HD22 LEU 61 22.914 12.195 -7.613 460 HD23 LEU 61 HD23 LEU 61 22.506 10.519 -7.980 461 H VAL 62 H VAL 62 25.261 8.948 -8.430 462 HA VAL 62 HA VAL 62 25.982 6.969 -10.495 463 HB VAL 62 HB VAL 62 27.249 7.415 -7.791 464 HG11 VAL 62 HG11 VAL 62 28.818 5.562 -8.713 465 HG12 VAL 62 HG12 VAL 62 27.289 5.106 -7.958 466 HG13 VAL 62 HG13 VAL 62 27.432 5.134 -9.716 467 HG21 VAL 62 HG21 VAL 62 28.527 7.481 -10.515 468 HG22 VAL 62 HG22 VAL 62 27.896 8.917 -9.710 469 HG23 VAL 62 HG23 VAL 62 29.217 8.006 -8.979 470 H GLU 63 H GLU 63 24.854 5.141 -10.472 471 HA GLU 63 HA GLU 63 22.693 4.648 -8.818 472 HB2 GLU 63 HB2 GLU 63 24.081 3.268 -10.916 473 HB3 GLU 63 HB3 GLU 63 23.681 2.127 -9.640 474 HG2 GLU 63 HG2 GLU 63 21.324 3.244 -9.786 475 HG3 GLU 63 HG3 GLU 63 21.878 3.723 -11.390 476 H LYS 64 H LYS 64 22.606 4.243 -6.721 477 HA LYS 64 HA LYS 64 24.890 3.463 -5.204 478 HB2 LYS 64 HB2 LYS 64 23.054 4.907 -4.334 479 HB3 LYS 64 HB3 LYS 64 21.989 3.507 -4.351 480 HG2 LYS 64 HG2 LYS 64 24.537 3.217 -2.882 481 HG3 LYS 64 HG3 LYS 64 23.327 4.297 -2.185 482 HD2 LYS 64 HD2 LYS 64 21.668 2.410 -2.457 483 HD3 LYS 64 HD3 LYS 64 23.043 1.371 -2.840 484 HE2 LYS 64 HE2 LYS 64 22.953 0.999 -0.602 485 HE3 LYS 64 HE3 LYS 64 23.966 2.441 -0.584 486 HZ1 LYS 64 HZ1 LYS 64 21.313 2.065 0.431 487 HZ2 LYS 64 HZ2 LYS 64 21.435 3.430 -0.560 488 HZ3 LYS 64 HZ3 LYS 64 22.443 3.272 0.789 489 H SER 65 H SER 65 25.684 1.469 -5.557 490 HA SER 65 HA SER 65 23.815 -0.798 -5.312 491 HB2 SER 65 HB2 SER 65 26.241 -1.618 -6.579 492 HB3 SER 65 HB3 SER 65 24.607 -1.608 -7.242 493 HG SER 65 HG SER 65 26.523 0.479 -7.311 494 HA PRO 66 HA PRO 66 26.114 -2.352 -1.915 495 HB2 PRO 66 HB2 PRO 66 26.101 -5.028 -2.371 496 HB3 PRO 66 HB3 PRO 66 24.663 -4.132 -1.868 497 HG2 PRO 66 HG2 PRO 66 25.472 -5.033 -4.606 498 HG3 PRO 66 HG3 PRO 66 23.876 -5.091 -3.836 499 HD2 PRO 66 HD2 PRO 66 24.564 -3.173 -5.619 500 HD3 PRO 66 HD3 PRO 66 23.444 -2.870 -4.276 Start of MODEL 6 1 H1 GLY 1 H GLY 1 0.017 3.538 2.632 2 HA2 GLY 1 HA2 GLY 1 0.952 1.100 3.946 3 HA3 GLY 1 HA3 GLY 1 -0.273 1.199 2.689 4 HA PRO 2 HA PRO 2 3.879 -0.221 0.961 5 HB2 PRO 2 HB2 PRO 2 3.073 -2.697 0.193 6 HB3 PRO 2 HB3 PRO 2 3.741 -2.358 1.794 7 HG2 PRO 2 HG2 PRO 2 0.881 -2.641 0.957 8 HG3 PRO 2 HG3 PRO 2 1.694 -3.281 2.397 9 HD2 PRO 2 HD2 PRO 2 0.156 -1.053 2.461 10 HD3 PRO 2 HD3 PRO 2 1.567 -1.270 3.516 11 H LEU 3 H LEU 3 4.367 -0.343 -1.233 12 HA LEU 3 HA LEU 3 2.364 -0.721 -3.236 13 HB2 LEU 3 HB2 LEU 3 2.066 1.412 -4.041 14 HB3 LEU 3 HB3 LEU 3 2.085 1.678 -2.299 15 HG LEU 3 HG LEU 3 4.436 2.137 -4.133 16 HD11 LEU 3 HD11 LEU 3 2.109 3.697 -3.776 17 HD12 LEU 3 HD12 LEU 3 3.585 4.116 -4.645 18 HD13 LEU 3 HD13 LEU 3 3.426 4.514 -2.935 19 HD21 LEU 3 HD21 LEU 3 5.447 1.872 -2.113 20 HD22 LEU 3 HD22 LEU 3 4.001 2.311 -1.204 21 HD23 LEU 3 HD23 LEU 3 4.983 3.567 -1.961 22 H GLY 4 H GLY 4 3.259 -0.405 -5.449 23 HA2 GLY 4 HA2 GLY 4 6.154 -0.974 -5.424 24 HA3 GLY 4 HA3 GLY 4 5.023 -1.589 -6.620 25 H SER 5 H SER 5 6.884 1.165 -5.570 26 HA SER 5 HA SER 5 5.985 2.817 -7.778 27 HB2 SER 5 HB2 SER 5 7.633 3.205 -5.349 28 HB3 SER 5 HB3 SER 5 8.075 4.193 -6.742 29 HG SER 5 HG SER 5 6.375 5.361 -6.389 30 HA PRO 6 HA PRO 6 9.134 1.870 -10.681 31 HB2 PRO 6 HB2 PRO 6 9.731 4.308 -11.715 32 HB3 PRO 6 HB3 PRO 6 8.215 3.465 -12.055 33 HG2 PRO 6 HG2 PRO 6 8.763 5.660 -10.094 34 HG3 PRO 6 HG3 PRO 6 7.386 5.459 -11.192 35 HD2 PRO 6 HD2 PRO 6 7.255 4.832 -8.561 36 HD3 PRO 6 HD3 PRO 6 6.333 3.955 -9.799 37 H GLU 7 H GLU 7 10.593 1.286 -8.833 38 HA GLU 7 HA GLU 7 12.893 3.124 -8.759 39 HB2 GLU 7 HB2 GLU 7 13.346 2.214 -6.449 40 HB3 GLU 7 HB3 GLU 7 11.936 3.255 -6.588 41 HG2 GLU 7 HG2 GLU 7 10.454 1.524 -6.282 42 HG3 GLU 7 HG3 GLU 7 11.604 0.303 -6.823 43 H GLU 8 H GLU 8 13.407 1.710 -10.674 44 HA GLU 8 HA GLU 8 14.202 -1.005 -10.120 45 HB2 GLU 8 HB2 GLU 8 14.926 0.576 -12.579 46 HB3 GLU 8 HB3 GLU 8 14.745 -1.166 -12.417 47 HG2 GLU 8 HG2 GLU 8 12.533 0.871 -12.293 48 HG3 GLU 8 HG3 GLU 8 12.885 -0.214 -13.637 49 H THR 9 H THR 9 15.843 2.068 -10.778 50 HA THR 9 HA THR 9 18.272 0.936 -9.567 51 HB THR 9 HB THR 9 18.271 2.742 -11.993 52 HG1 THR 9 HG1 THR 9 19.015 -0.003 -11.845 53 HG21 THR 9 HG21 THR 9 20.738 1.615 -11.842 54 HG22 THR 9 HG22 THR 9 20.342 1.791 -10.132 55 HG23 THR 9 HG23 THR 9 20.329 3.201 -11.191 56 H VAL 10 H VAL 10 19.586 2.402 -8.443 57 HA VAL 10 HA VAL 10 18.309 4.997 -7.868 58 HB VAL 10 HB VAL 10 20.097 3.498 -5.962 59 HG11 VAL 10 HG11 VAL 10 18.876 4.963 -4.311 60 HG12 VAL 10 HG12 VAL 10 19.962 5.802 -5.420 61 HG13 VAL 10 HG13 VAL 10 18.220 5.835 -5.695 62 HG21 VAL 10 HG21 VAL 10 17.529 3.328 -4.959 63 HG22 VAL 10 HG22 VAL 10 17.330 2.970 -6.674 64 HG23 VAL 10 HG23 VAL 10 18.447 2.017 -5.698 65 H VAL 11 H VAL 11 19.710 6.772 -7.364 66 HA VAL 11 HA VAL 11 22.470 6.459 -8.342 67 HB VAL 11 HB VAL 11 22.320 8.685 -9.395 68 HG11 VAL 11 HG11 VAL 11 20.164 6.871 -10.458 69 HG12 VAL 11 HG12 VAL 11 21.184 7.989 -11.366 70 HG13 VAL 11 HG13 VAL 11 21.888 6.544 -10.639 71 HG21 VAL 11 HG21 VAL 11 20.129 9.719 -9.754 72 HG22 VAL 11 HG22 VAL 11 19.379 8.477 -8.752 73 HG23 VAL 11 HG23 VAL 11 20.521 9.615 -8.038 74 H ILE 12 H ILE 12 24.033 7.677 -7.323 75 HA ILE 12 HA ILE 12 23.170 8.986 -4.836 76 HB ILE 12 HB ILE 12 25.996 8.168 -5.452 77 HG12 ILE 12 HG12 ILE 12 23.824 6.469 -4.207 78 HG13 ILE 12 HG13 ILE 12 24.619 6.173 -5.749 79 HG21 ILE 12 HG21 ILE 12 26.436 8.619 -3.283 80 HG22 ILE 12 HG22 ILE 12 25.025 9.663 -3.445 81 HG23 ILE 12 HG23 ILE 12 24.858 8.059 -2.733 82 HD11 ILE 12 HD11 ILE 12 25.380 5.311 -3.158 83 HD12 ILE 12 HD12 ILE 12 26.146 4.967 -4.710 84 HD13 ILE 12 HD13 ILE 12 26.633 6.384 -3.780 85 H ALA 13 H ALA 13 23.585 11.086 -4.459 86 HA ALA 13 HA ALA 13 24.467 12.734 -6.629 87 HB1 ALA 13 HB1 ALA 13 24.310 14.485 -4.623 88 HB2 ALA 13 HB2 ALA 13 22.887 13.879 -5.472 89 HB3 ALA 13 HB3 ALA 13 23.355 13.178 -3.922 90 H LEU 14 H LEU 14 26.452 13.455 -7.044 91 HA LEU 14 HA LEU 14 28.600 12.799 -5.191 92 HB2 LEU 14 HB2 LEU 14 28.913 14.098 -7.878 93 HB3 LEU 14 HB3 LEU 14 30.089 13.142 -6.978 94 HG LEU 14 HG LEU 14 27.607 12.090 -8.336 95 HD11 LEU 14 HD11 LEU 14 30.459 12.307 -9.119 96 HD12 LEU 14 HD12 LEU 14 29.000 12.395 -10.106 97 HD13 LEU 14 HD13 LEU 14 29.597 10.831 -9.552 98 HD21 LEU 14 HD21 LEU 14 29.564 10.124 -7.569 99 HD22 LEU 14 HD22 LEU 14 27.842 10.200 -7.193 100 HD23 LEU 14 HD23 LEU 14 29.009 11.031 -6.162 101 H TYR 15 H TYR 15 26.884 15.562 -6.422 102 HA TYR 15 HA TYR 15 28.231 17.256 -4.482 103 HB2 TYR 15 HB2 TYR 15 28.116 18.048 -7.398 104 HB3 TYR 15 HB3 TYR 15 28.806 18.988 -6.079 105 HD1 TYR 15 HD1 TYR 15 29.281 16.086 -8.275 106 HD2 TYR 15 HD2 TYR 15 30.980 18.448 -5.171 107 HE1 TYR 15 HE1 TYR 15 31.466 15.030 -8.676 108 HE2 TYR 15 HE2 TYR 15 33.170 17.400 -5.565 109 HH TYR 15 HH TYR 15 33.545 14.674 -7.707 110 H ASP 16 H ASP 16 27.070 19.153 -3.961 111 HA ASP 16 HA ASP 16 24.260 18.883 -4.079 112 HB2 ASP 16 HB2 ASP 16 25.845 21.356 -3.358 113 HB3 ASP 16 HB3 ASP 16 24.176 21.009 -2.913 114 H TYR 17 H TYR 17 23.503 18.855 -6.167 115 HA TYR 17 HA TYR 17 24.219 20.913 -8.051 116 HB2 TYR 17 HB2 TYR 17 23.770 18.709 -8.914 117 HB3 TYR 17 HB3 TYR 17 22.182 18.681 -8.155 118 HD1 TYR 17 HD1 TYR 17 24.155 20.645 -10.644 119 HD2 TYR 17 HD2 TYR 17 20.327 19.250 -9.419 120 HE1 TYR 17 HE1 TYR 17 23.166 21.575 -12.696 121 HE2 TYR 17 HE2 TYR 17 19.328 20.174 -11.468 122 HH TYR 17 HH TYR 17 19.806 21.892 -13.135 123 H GLN 18 H GLN 18 22.846 22.500 -8.906 124 HA GLN 18 HA GLN 18 20.352 23.012 -7.452 125 HB2 GLN 18 HB2 GLN 18 22.739 24.793 -7.636 126 HB3 GLN 18 HB3 GLN 18 21.142 25.529 -7.654 127 HG2 GLN 18 HG2 GLN 18 20.674 24.215 -5.538 128 HG3 GLN 18 HG3 GLN 18 22.403 23.876 -5.492 129 HE21 GLN 18 HE21 GLN 18 23.857 25.694 -5.377 130 HE22 GLN 18 HE22 GLN 18 23.346 27.149 -4.600 131 H THR 19 H THR 19 18.715 23.576 -8.742 132 HA THR 19 HA THR 19 19.298 24.040 -11.573 133 HB THR 19 HB THR 19 17.728 22.261 -11.207 134 HG1 THR 19 HG1 THR 19 17.195 23.546 -12.978 135 HG21 THR 19 HG21 THR 19 16.676 22.414 -9.201 136 HG22 THR 19 HG22 THR 19 15.417 23.171 -10.178 137 HG23 THR 19 HG23 THR 19 16.556 24.171 -9.277 138 H ASN 20 H ASN 20 17.988 25.638 -12.747 139 HA ASN 20 HA ASN 20 17.724 28.083 -11.161 140 HB2 ASN 20 HB2 ASN 20 19.122 28.443 -13.028 141 HB3 ASN 20 HB3 ASN 20 18.053 27.552 -14.107 142 HD21 ASN 20 HD21 ASN 20 17.065 28.819 -15.485 143 HD22 ASN 20 HD22 ASN 20 16.497 30.422 -15.178 144 H ASP 21 H ASP 21 15.861 25.781 -12.947 145 HA ASP 21 HA ASP 21 13.447 27.402 -12.469 146 HB2 ASP 21 HB2 ASP 21 14.285 25.827 -14.863 147 HB3 ASP 21 HB3 ASP 21 12.570 25.895 -14.465 148 HA PRO 22 HA PRO 22 11.724 24.069 -10.199 149 HB2 PRO 22 HB2 PRO 22 9.116 24.135 -10.952 150 HB3 PRO 22 HB3 PRO 22 9.846 25.362 -9.909 151 HG2 PRO 22 HG2 PRO 22 9.299 25.458 -12.851 152 HG3 PRO 22 HG3 PRO 22 9.043 26.712 -11.624 153 HD2 PRO 22 HD2 PRO 22 11.182 26.712 -13.284 154 HD3 PRO 22 HD3 PRO 22 11.260 27.343 -11.627 155 H GLN 23 H GLN 23 11.582 24.031 -13.640 156 HA GLN 23 HA GLN 23 10.265 21.613 -14.117 157 HB2 GLN 23 HB2 GLN 23 11.181 23.455 -15.750 158 HB3 GLN 23 HB3 GLN 23 12.609 22.429 -15.788 159 HG2 GLN 23 HG2 GLN 23 11.498 21.544 -17.545 160 HG3 GLN 23 HG3 GLN 23 10.795 20.560 -16.263 161 HE21 GLN 23 HE21 GLN 23 9.983 21.977 -18.973 162 HE22 GLN 23 HE22 GLN 23 8.376 22.505 -18.622 163 H GLU 24 H GLU 24 13.585 22.291 -13.194 164 HA GLU 24 HA GLU 24 14.163 19.408 -13.213 165 HB2 GLU 24 HB2 GLU 24 16.217 21.573 -12.848 166 HB3 GLU 24 HB3 GLU 24 16.455 19.916 -13.386 167 HG2 GLU 24 HG2 GLU 24 14.784 20.903 -15.305 168 HG3 GLU 24 HG3 GLU 24 15.771 22.309 -14.910 169 H LEU 25 H LEU 25 15.592 18.640 -11.418 170 HA LEU 25 HA LEU 25 14.723 19.857 -8.883 171 HB2 LEU 25 HB2 LEU 25 14.708 17.169 -9.850 172 HB3 LEU 25 HB3 LEU 25 15.763 17.268 -8.442 173 HG LEU 25 HG LEU 25 13.951 18.098 -7.085 174 HD11 LEU 25 HD11 LEU 25 12.800 18.750 -9.622 175 HD12 LEU 25 HD12 LEU 25 12.298 19.249 -8.007 176 HD13 LEU 25 HD13 LEU 25 11.680 17.749 -8.699 177 HD21 LEU 25 HD21 LEU 25 13.707 15.576 -8.587 178 HD22 LEU 25 HD22 LEU 25 12.258 16.102 -7.729 179 HD23 LEU 25 HD23 LEU 25 13.768 15.864 -6.848 180 H ALA 26 H ALA 26 16.283 19.334 -7.024 181 HA ALA 26 HA ALA 26 19.018 19.930 -7.940 182 HB1 ALA 26 HB1 ALA 26 19.026 20.644 -5.323 183 HB2 ALA 26 HB2 ALA 26 18.682 21.744 -6.659 184 HB3 ALA 26 HB3 ALA 26 17.356 20.996 -5.769 185 H LEU 27 H LEU 27 20.787 18.981 -6.827 186 HA LEU 27 HA LEU 27 20.106 16.417 -5.555 187 HB2 LEU 27 HB2 LEU 27 22.685 17.216 -6.893 188 HB3 LEU 27 HB3 LEU 27 22.270 15.617 -6.278 189 HG LEU 27 HG LEU 27 20.587 16.836 -8.422 190 HD11 LEU 27 HD11 LEU 27 22.390 15.281 -9.788 191 HD12 LEU 27 HD12 LEU 27 23.413 16.172 -8.662 192 HD13 LEU 27 HD13 LEU 27 22.353 17.045 -9.769 193 HD21 LEU 27 HD21 LEU 27 19.822 14.780 -7.447 194 HD22 LEU 27 HD22 LEU 27 21.403 14.032 -7.673 195 HD23 LEU 27 HD23 LEU 27 20.415 14.446 -9.074 196 H ARG 28 H ARG 28 21.357 15.695 -3.762 197 HA ARG 28 HA ARG 28 22.734 17.858 -2.310 198 HB2 ARG 28 HB2 ARG 28 20.942 15.711 -1.160 199 HB3 ARG 28 HB3 ARG 28 21.860 16.875 -0.214 200 HG2 ARG 28 HG2 ARG 28 19.986 17.904 -2.277 201 HG3 ARG 28 HG3 ARG 28 19.320 17.252 -0.778 202 HD2 ARG 28 HD2 ARG 28 20.260 18.901 0.515 203 HD3 ARG 28 HD3 ARG 28 21.574 19.193 -0.624 204 HE ARG 28 HE ARG 28 20.257 20.729 -1.697 205 HH11 ARG 28 HH11 ARG 28 18.273 18.787 0.404 206 HH12 ARG 28 HH12 ARG 28 16.858 19.763 0.184 207 HH21 ARG 28 HH21 ARG 28 18.401 22.021 -1.994 208 HH22 ARG 28 HH22 ARG 28 16.932 21.602 -1.180 209 H ARG 29 H ARG 29 24.753 17.421 -1.715 210 HA ARG 29 HA ARG 29 26.161 15.181 -2.486 211 HB2 ARG 29 HB2 ARG 29 27.123 17.373 -1.726 212 HB3 ARG 29 HB3 ARG 29 26.812 16.872 -0.069 213 HG2 ARG 29 HG2 ARG 29 28.222 14.785 -0.721 214 HG3 ARG 29 HG3 ARG 29 28.810 15.826 -2.019 215 HD2 ARG 29 HD2 ARG 29 28.771 16.869 0.773 216 HD3 ARG 29 HD3 ARG 29 30.035 15.733 0.303 217 HE ARG 29 HE ARG 29 29.821 18.480 -0.458 218 HH11 ARG 29 HH11 ARG 29 30.990 15.358 -1.460 219 HH12 ARG 29 HH12 ARG 29 32.219 16.005 -2.496 220 HH21 ARG 29 HH21 ARG 29 31.434 19.345 -1.819 221 HH22 ARG 29 HH22 ARG 29 32.471 18.273 -2.699 222 H ASN 30 H ASN 30 26.571 13.203 -1.659 223 HA ASN 30 HA ASN 30 26.391 11.347 -0.357 224 HB2 ASN 30 HB2 ASN 30 25.766 13.047 2.036 225 HB3 ASN 30 HB3 ASN 30 26.707 11.561 1.945 226 HD21 ASN 30 HD21 ASN 30 28.751 11.725 0.675 227 HD22 ASN 30 HD22 ASN 30 29.677 13.174 0.849 228 H GLU 31 H GLU 31 24.181 11.866 -1.775 229 HA GLU 31 HA GLU 31 22.054 10.965 0.023 230 HB2 GLU 31 HB2 GLU 31 22.019 13.530 -0.647 231 HB3 GLU 31 HB3 GLU 31 21.308 12.896 -2.125 232 HG2 GLU 31 HG2 GLU 31 19.625 13.598 -0.485 233 HG3 GLU 31 HG3 GLU 31 19.511 11.885 -0.886 234 H GLU 32 H GLU 32 20.184 10.052 -1.204 235 HA GLU 32 HA GLU 32 21.109 8.807 -3.710 236 HB2 GLU 32 HB2 GLU 32 19.750 7.667 -1.319 237 HB3 GLU 32 HB3 GLU 32 19.309 7.018 -2.892 238 HG2 GLU 32 HG2 GLU 32 21.359 6.082 -3.242 239 HG3 GLU 32 HG3 GLU 32 22.193 7.261 -2.232 240 H TYR 33 H TYR 33 19.491 8.313 -5.289 241 HA TYR 33 HA TYR 33 16.891 9.599 -4.956 242 HB2 TYR 33 HB2 TYR 33 18.850 10.287 -7.153 243 HB3 TYR 33 HB3 TYR 33 17.143 10.717 -7.191 244 HD1 TYR 33 HD2 TYR 33 20.383 11.395 -5.618 245 HD2 TYR 33 HD1 TYR 33 16.266 12.462 -5.753 246 HE1 TYR 33 HE2 TYR 33 20.880 13.449 -4.360 247 HE2 TYR 33 HE1 TYR 33 16.752 14.520 -4.497 248 HH TYR 33 HH TYR 33 18.335 15.539 -3.174 249 H CYS 34 H CYS 34 15.300 8.431 -5.828 250 HA CYS 34 HA CYS 34 15.862 5.924 -7.051 251 HB2 CYS 34 HB2 CYS 34 13.342 7.456 -6.471 252 HB3 CYS 34 HB3 CYS 34 13.294 5.974 -7.419 253 HG CYS 34 HG CYS 34 13.596 6.381 -4.131 254 H LEU 35 H LEU 35 16.710 5.890 -9.042 255 HA LEU 35 HA LEU 35 16.312 7.822 -11.035 256 HB2 LEU 35 HB2 LEU 35 18.057 5.860 -10.753 257 HB3 LEU 35 HB3 LEU 35 16.914 5.006 -11.787 258 HG LEU 35 HG LEU 35 18.756 5.971 -13.070 259 HD11 LEU 35 HD11 LEU 35 16.099 6.060 -13.677 260 HD12 LEU 35 HD12 LEU 35 17.411 6.409 -14.802 261 HD13 LEU 35 HD13 LEU 35 16.596 7.728 -13.962 262 HD21 LEU 35 HD21 LEU 35 19.585 7.962 -12.559 263 HD22 LEU 35 HD22 LEU 35 18.304 8.209 -11.373 264 HD23 LEU 35 HD23 LEU 35 18.067 8.717 -13.046 265 H LEU 36 H LEU 36 14.808 8.096 -12.578 266 HA LEU 36 HA LEU 36 12.693 6.055 -12.794 267 HB2 LEU 36 HB2 LEU 36 12.371 9.010 -13.270 268 HB3 LEU 36 HB3 LEU 36 11.100 7.791 -13.200 269 HG LEU 36 HG LEU 36 12.767 8.186 -10.773 270 HD11 LEU 36 HD11 LEU 36 12.014 10.459 -11.847 271 HD12 LEU 36 HD12 LEU 36 11.843 10.174 -10.115 272 HD13 LEU 36 HD13 LEU 36 10.446 10.006 -11.179 273 HD21 LEU 36 HD21 LEU 36 11.061 7.147 -9.758 274 HD22 LEU 36 HD22 LEU 36 10.582 6.674 -11.388 275 HD23 LEU 36 HD23 LEU 36 9.845 8.084 -10.625 276 H ASP 37 H ASP 37 14.321 8.676 -14.566 277 HA ASP 37 HA ASP 37 14.104 7.050 -17.002 278 HB2 ASP 37 HB2 ASP 37 12.737 9.501 -16.521 279 HB3 ASP 37 HB3 ASP 37 13.980 9.807 -17.731 280 H SER 38 H SER 38 16.028 6.724 -17.883 281 HA SER 38 HA SER 38 18.092 8.799 -17.604 282 HB2 SER 38 HB2 SER 38 18.194 5.977 -16.708 283 HB3 SER 38 HB3 SER 38 19.626 6.573 -17.546 284 HG SER 38 HG SER 38 19.689 6.921 -15.263 285 H SER 39 H SER 39 17.964 9.481 -19.703 286 HA SER 39 HA SER 39 18.310 7.476 -21.820 287 HB2 SER 39 HB2 SER 39 16.456 8.808 -22.366 288 HB3 SER 39 HB3 SER 39 17.235 10.286 -21.801 289 HG SER 39 HG SER 39 17.428 10.407 -23.956 290 H GLU 40 H GLU 40 19.602 10.574 -20.672 291 HA GLU 40 HA GLU 40 22.250 9.843 -21.523 292 HB2 GLU 40 HB2 GLU 40 20.687 11.170 -23.395 293 HB3 GLU 40 HB3 GLU 40 21.647 12.452 -22.669 294 HG2 GLU 40 HG2 GLU 40 23.328 11.882 -23.980 295 HG3 GLU 40 HG3 GLU 40 23.418 10.332 -23.147 296 H ILE 41 H ILE 41 23.867 11.465 -20.883 297 HA ILE 41 HA ILE 41 23.516 12.346 -18.271 298 HB ILE 41 HB ILE 41 25.729 11.996 -19.225 299 HG12 ILE 41 HG12 ILE 41 25.387 14.889 -18.412 300 HG13 ILE 41 HG13 ILE 41 25.412 13.538 -17.284 301 HG21 ILE 41 HG21 ILE 41 26.392 14.272 -20.604 302 HG22 ILE 41 HG22 ILE 41 26.028 12.704 -21.322 303 HG23 ILE 41 HG23 ILE 41 24.764 13.925 -21.185 304 HD11 ILE 41 HD11 ILE 41 27.654 13.220 -17.505 305 HD12 ILE 41 HD12 ILE 41 27.695 13.848 -19.153 306 HD13 ILE 41 HD13 ILE 41 27.563 14.958 -17.788 307 H HIS 42 H HIS 42 22.494 13.780 -21.200 308 HA HIS 42 HA HIS 42 22.541 16.495 -20.653 309 HB2 HIS 42 HB2 HIS 42 20.581 14.806 -22.199 310 HB3 HIS 42 HB3 HIS 42 20.425 16.557 -22.098 311 HD1 HIS 42 HD1 HIS 42 23.377 14.260 -22.843 312 HD2 HIS 42 HD2 HIS 42 21.446 17.613 -24.355 313 HE1 HIS 42 HE1 HIS 42 24.687 14.927 -24.883 314 H TRP 43 H TRP 43 20.052 14.111 -19.792 315 HA TRP 43 HA TRP 43 19.322 15.676 -17.477 316 HB2 TRP 43 HB2 TRP 43 16.942 15.855 -18.070 317 HB3 TRP 43 HB3 TRP 43 17.954 16.739 -19.208 318 HD1 TRP 43 HD1 TRP 43 17.957 15.942 -21.720 319 HE1 TRP 43 HE1 TRP 43 16.517 14.263 -23.036 320 HE3 TRP 43 HE3 TRP 43 15.694 13.565 -17.800 321 HZ2 TRP 43 HZ2 TRP 43 14.666 12.204 -22.485 322 HZ3 TRP 43 HZ3 TRP 43 14.101 11.753 -18.280 323 HH2 TRP 43 HH2 TRP 43 13.599 11.088 -20.575 324 H TRP 44 H TRP 44 18.824 14.352 -15.852 325 HA TRP 44 HA TRP 44 17.945 11.616 -16.509 326 HB2 TRP 44 HB2 TRP 44 20.116 12.580 -14.741 327 HB3 TRP 44 HB3 TRP 44 19.134 11.261 -14.110 328 HD1 TRP 44 HD1 TRP 44 19.899 11.465 -17.849 329 HE1 TRP 44 HE1 TRP 44 21.421 9.491 -18.489 330 HE3 TRP 44 HE3 TRP 44 20.896 9.660 -13.171 331 HZ2 TRP 44 HZ2 TRP 44 22.855 7.440 -17.183 332 HZ3 TRP 44 HZ3 TRP 44 22.351 7.689 -12.953 333 HH2 TRP 44 HH2 TRP 44 23.309 6.602 -14.919 334 H ARG 45 H ARG 45 15.943 11.259 -15.839 335 HA ARG 45 HA ARG 45 14.704 12.946 -13.857 336 HB2 ARG 45 HB2 ARG 45 13.827 11.243 -15.971 337 HB3 ARG 45 HB3 ARG 45 13.061 10.706 -14.482 338 HG2 ARG 45 HG2 ARG 45 12.626 13.319 -14.232 339 HG3 ARG 45 HG3 ARG 45 12.723 13.226 -15.992 340 HD2 ARG 45 HD2 ARG 45 10.970 11.582 -16.054 341 HD3 ARG 45 HD3 ARG 45 10.950 11.478 -14.294 342 HE ARG 45 HE ARG 45 9.688 13.475 -15.927 343 HH11 ARG 45 HH11 ARG 45 11.012 12.773 -12.785 344 HH12 ARG 45 HH12 ARG 45 10.066 13.976 -11.973 345 HH21 ARG 45 HH21 ARG 45 8.437 15.063 -14.870 346 HH22 ARG 45 HH22 ARG 45 8.601 15.277 -13.160 347 H VAL 46 H VAL 46 14.782 12.597 -11.747 348 HA VAL 46 HA VAL 46 14.869 9.830 -10.761 349 HB VAL 46 HB VAL 46 16.500 10.383 -9.068 350 HG11 VAL 46 HG11 VAL 46 17.040 10.108 -11.749 351 HG12 VAL 46 HG12 VAL 46 17.995 11.522 -11.296 352 HG13 VAL 46 HG13 VAL 46 18.219 9.994 -10.442 353 HG21 VAL 46 HG21 VAL 46 17.648 12.582 -9.089 354 HG22 VAL 46 HG22 VAL 46 16.469 13.149 -10.271 355 HG23 VAL 46 HG23 VAL 46 15.943 12.690 -8.652 356 H GLN 47 H GLN 47 14.451 9.797 -8.320 357 HA GLN 47 HA GLN 47 12.487 11.868 -7.600 358 HB2 GLN 47 HB2 GLN 47 11.191 9.970 -8.236 359 HB3 GLN 47 HB3 GLN 47 12.231 8.875 -7.335 360 HG2 GLN 47 HG2 GLN 47 11.389 9.591 -5.272 361 HG3 GLN 47 HG3 GLN 47 10.656 11.032 -5.976 362 HE21 GLN 47 HE21 GLN 47 9.392 9.040 -4.341 363 HE22 GLN 47 HE22 GLN 47 8.122 8.345 -5.283 364 H ASP 48 H ASP 48 12.494 12.558 -5.507 365 HA ASP 48 HA ASP 48 14.832 11.950 -3.948 366 HB2 ASP 48 HB2 ASP 48 12.464 13.757 -3.434 367 HB3 ASP 48 HB3 ASP 48 13.837 13.608 -2.340 368 H ARG 49 H ARG 49 14.208 11.927 -1.387 369 HA ARG 49 HA ARG 49 12.805 9.388 -1.069 370 HB2 ARG 49 HB2 ARG 49 13.810 9.365 1.183 371 HB3 ARG 49 HB3 ARG 49 15.019 9.547 -0.081 372 HG2 ARG 49 HG2 ARG 49 15.294 11.857 0.398 373 HG3 ARG 49 HG3 ARG 49 13.893 11.862 1.470 374 HD2 ARG 49 HD2 ARG 49 15.127 10.193 2.899 375 HD3 ARG 49 HD3 ARG 49 16.548 10.511 1.904 376 HE ARG 49 HE ARG 49 15.392 12.899 2.977 377 HH11 ARG 49 HH11 ARG 49 17.508 10.222 3.667 378 HH12 ARG 49 HH12 ARG 49 18.409 11.076 4.876 379 HH21 ARG 49 HH21 ARG 49 16.570 14.034 4.566 380 HH22 ARG 49 HH22 ARG 49 17.873 13.244 5.387 381 H ASN 50 H ASN 50 11.615 12.225 -1.362 382 HA ASN 50 HA ASN 50 9.883 12.091 1.018 383 HB2 ASN 50 HB2 ASN 50 10.407 14.547 -0.663 384 HB3 ASN 50 HB3 ASN 50 9.561 14.469 0.880 385 HD21 ASN 50 HD21 ASN 50 12.675 14.163 -0.691 386 HD22 ASN 50 HD22 ASN 50 13.628 14.463 0.719 387 H GLY 51 H GLY 51 10.064 12.190 -2.442 388 HA2 GLY 51 HA2 GLY 51 8.142 11.050 -3.538 389 HA3 GLY 51 HA3 GLY 51 7.112 12.086 -2.561 390 H HIS 52 H HIS 52 10.038 13.337 -3.953 391 HA HIS 52 HA HIS 52 8.420 14.823 -5.919 392 HB2 HIS 52 HB2 HIS 52 10.941 15.823 -4.588 393 HB3 HIS 52 HB3 HIS 52 9.837 16.739 -5.608 394 HD1 HIS 52 HD1 HIS 52 10.554 15.986 -2.142 395 HD2 HIS 52 HD2 HIS 52 7.198 17.084 -4.332 396 HE1 HIS 52 HE1 HIS 52 8.893 16.827 -0.451 397 H GLU 53 H GLU 53 8.941 14.503 -7.975 398 HA GLU 53 HA GLU 53 11.584 13.352 -8.581 399 HB2 GLU 53 HB2 GLU 53 9.148 13.178 -10.347 400 HB3 GLU 53 HB3 GLU 53 10.625 12.229 -10.441 401 HG2 GLU 53 HG2 GLU 53 9.273 10.699 -9.464 402 HG3 GLU 53 HG3 GLU 53 9.886 11.495 -8.015 403 H GLY 54 H GLY 54 12.812 14.189 -10.248 404 HA2 GLY 54 HA2 GLY 54 11.805 16.306 -11.929 405 HA3 GLY 54 HA3 GLY 54 12.922 16.864 -10.693 406 H TYR 55 H TYR 55 13.986 17.502 -12.840 407 HA TYR 55 HA TYR 55 15.520 15.281 -13.983 408 HB2 TYR 55 HB2 TYR 55 15.152 18.133 -14.918 409 HB3 TYR 55 HB3 TYR 55 16.167 16.945 -15.727 410 HD1 TYR 55 HD1 TYR 55 12.670 17.708 -14.764 411 HD2 TYR 55 HD2 TYR 55 15.239 15.383 -17.233 412 HE1 TYR 55 HE1 TYR 55 10.722 16.930 -16.049 413 HE2 TYR 55 HE2 TYR 55 13.299 14.600 -18.526 414 HH TYR 55 HH TYR 55 11.040 15.221 -19.015 415 H VAL 56 H VAL 56 17.727 15.184 -13.907 416 HA VAL 56 HA VAL 56 19.250 17.361 -12.735 417 HB VAL 56 HB VAL 56 20.345 15.718 -11.111 418 HG11 VAL 56 HG11 VAL 56 18.804 16.255 -9.366 419 HG12 VAL 56 HG12 VAL 56 18.821 17.604 -10.503 420 HG13 VAL 56 HG13 VAL 56 17.484 16.453 -10.518 421 HG21 VAL 56 HG21 VAL 56 17.749 14.245 -11.550 422 HG22 VAL 56 HG22 VAL 56 19.340 13.685 -12.066 423 HG23 VAL 56 HG23 VAL 56 18.981 13.859 -10.348 424 HA PRO 57 HA PRO 57 22.410 15.894 -15.407 425 HB2 PRO 57 HB2 PRO 57 24.643 16.601 -14.036 426 HB3 PRO 57 HB3 PRO 57 23.600 17.777 -14.843 427 HG2 PRO 57 HG2 PRO 57 23.702 17.006 -11.952 428 HG3 PRO 57 HG3 PRO 57 23.558 18.618 -12.676 429 HD2 PRO 57 HD2 PRO 57 21.430 17.275 -11.675 430 HD3 PRO 57 HD3 PRO 57 21.296 18.384 -13.055 431 H SER 58 H SER 58 23.311 13.968 -15.806 432 HA SER 58 HA SER 58 23.426 11.982 -13.738 433 HB2 SER 58 HB2 SER 58 22.743 11.489 -16.095 434 HB3 SER 58 HB3 SER 58 24.410 11.776 -16.594 435 HG SER 58 HG SER 58 25.013 9.933 -15.706 436 H SER 59 H SER 59 25.686 14.086 -15.325 437 HA SER 59 HA SER 59 28.083 12.744 -14.841 438 HB2 SER 59 HB2 SER 59 27.322 15.256 -15.839 439 HB3 SER 59 HB3 SER 59 28.399 15.597 -14.485 440 HG SER 59 HG SER 59 29.169 13.599 -16.268 441 H TYR 60 H TYR 60 25.926 14.281 -12.666 442 HA TYR 60 HA TYR 60 27.948 14.185 -10.526 443 HB2 TYR 60 HB2 TYR 60 25.374 15.772 -10.624 444 HB3 TYR 60 HB3 TYR 60 26.542 15.788 -9.308 445 HD1 TYR 60 HD2 TYR 60 26.310 16.448 -12.974 446 HD2 TYR 60 HD1 TYR 60 28.189 17.419 -9.283 447 HE1 TYR 60 HE2 TYR 60 27.520 18.282 -14.079 448 HE2 TYR 60 HE1 TYR 60 29.403 19.256 -10.377 449 HH TYR 60 HH TYR 60 28.733 20.182 -13.695 450 H LEU 61 H LEU 61 26.090 12.062 -11.686 451 HA LEU 61 HA LEU 61 25.045 11.157 -9.094 452 HB2 LEU 61 HB2 LEU 61 23.612 11.315 -11.713 453 HB3 LEU 61 HB3 LEU 61 23.184 10.065 -10.546 454 HG LEU 61 HG LEU 61 23.156 12.997 -9.867 455 HD11 LEU 61 HD11 LEU 61 20.982 11.286 -11.048 456 HD12 LEU 61 HD12 LEU 61 21.618 12.813 -11.658 457 HD13 LEU 61 HD13 LEU 61 20.667 12.785 -10.173 458 HD21 LEU 61 HD21 LEU 61 22.709 12.247 -7.829 459 HD22 LEU 61 HD22 LEU 61 22.785 10.580 -8.399 460 HD23 LEU 61 HD23 LEU 61 21.258 11.461 -8.450 461 H VAL 62 H VAL 62 25.524 9.099 -8.598 462 HA VAL 62 HA VAL 62 26.707 7.425 -10.718 463 HB VAL 62 HB VAL 62 27.411 7.552 -7.785 464 HG11 VAL 62 HG11 VAL 62 28.236 5.592 -9.914 465 HG12 VAL 62 HG12 VAL 62 29.149 5.835 -8.424 466 HG13 VAL 62 HG13 VAL 62 27.484 5.254 -8.355 467 HG21 VAL 62 HG21 VAL 62 29.193 7.977 -10.172 468 HG22 VAL 62 HG22 VAL 62 28.336 9.292 -9.369 469 HG23 VAL 62 HG23 VAL 62 29.531 8.347 -8.481 470 H GLU 63 H GLU 63 25.691 5.583 -11.148 471 HA GLU 63 HA GLU 63 23.305 4.816 -9.905 472 HB2 GLU 63 HB2 GLU 63 25.148 3.602 -11.889 473 HB3 GLU 63 HB3 GLU 63 24.026 2.515 -11.083 474 HG2 GLU 63 HG2 GLU 63 22.185 3.474 -12.042 475 HG3 GLU 63 HG3 GLU 63 22.973 5.036 -12.255 476 H LYS 64 H LYS 64 23.027 4.028 -7.936 477 HA LYS 64 HA LYS 64 25.169 2.892 -6.419 478 HB2 LYS 64 HB2 LYS 64 23.296 4.248 -5.450 479 HB3 LYS 64 HB3 LYS 64 22.218 2.896 -5.766 480 HG2 LYS 64 HG2 LYS 64 24.622 2.187 -4.256 481 HG3 LYS 64 HG3 LYS 64 23.550 3.325 -3.437 482 HD2 LYS 64 HD2 LYS 64 21.995 1.245 -4.647 483 HD3 LYS 64 HD3 LYS 64 23.271 0.528 -3.660 484 HE2 LYS 64 HE2 LYS 64 22.399 2.499 -2.019 485 HE3 LYS 64 HE3 LYS 64 20.907 2.092 -2.866 486 HZ1 LYS 64 HZ1 LYS 64 21.185 0.782 -0.851 487 HZ2 LYS 64 HZ2 LYS 64 22.649 0.163 -1.428 488 HZ3 LYS 64 HZ3 LYS 64 21.202 -0.211 -2.221 489 H SER 65 H SER 65 25.911 0.965 -7.117 490 HA SER 65 HA SER 65 24.368 -1.065 -8.291 491 HB2 SER 65 HB2 SER 65 26.433 -2.494 -7.397 492 HB3 SER 65 HB3 SER 65 26.597 -1.377 -8.752 493 HG SER 65 HG SER 65 28.241 -1.042 -7.222 494 HA PRO 66 HA PRO 66 22.456 -3.212 -4.979 495 HB2 PRO 66 HB2 PRO 66 22.761 -5.809 -5.709 496 HB3 PRO 66 HB3 PRO 66 21.655 -4.703 -6.532 497 HG2 PRO 66 HG2 PRO 66 24.412 -5.562 -7.322 498 HG3 PRO 66 HG3 PRO 66 22.964 -5.381 -8.331 499 HD2 PRO 66 HD2 PRO 66 24.920 -3.511 -8.241 500 HD3 PRO 66 HD3 PRO 66 23.213 -3.096 -8.498 Start of MODEL 7 1 H1 GLY 1 H GLY 1 1.759 3.996 -3.457 2 HA2 GLY 1 HA2 GLY 1 4.075 4.480 -5.087 3 HA3 GLY 1 HA3 GLY 1 4.469 4.337 -3.380 4 HA PRO 2 HA PRO 2 2.631 0.074 -4.791 5 HB2 PRO 2 HB2 PRO 2 2.459 -0.303 -7.474 6 HB3 PRO 2 HB3 PRO 2 1.133 0.356 -6.510 7 HG2 PRO 2 HG2 PRO 2 3.142 1.793 -8.201 8 HG3 PRO 2 HG3 PRO 2 1.396 2.068 -8.062 9 HD2 PRO 2 HD2 PRO 2 3.219 3.608 -6.782 10 HD3 PRO 2 HD3 PRO 2 1.613 3.269 -6.106 11 H LEU 3 H LEU 3 4.326 -1.177 -4.321 12 HA LEU 3 HA LEU 3 6.889 -0.850 -5.541 13 HB2 LEU 3 HB2 LEU 3 5.757 -2.281 -3.316 14 HB3 LEU 3 HB3 LEU 3 6.818 -3.336 -4.249 15 HG LEU 3 HG LEU 3 8.078 -2.358 -2.463 16 HD11 LEU 3 HD11 LEU 3 8.807 -0.881 -4.983 17 HD12 LEU 3 HD12 LEU 3 9.136 -2.592 -4.713 18 HD13 LEU 3 HD13 LEU 3 9.881 -1.377 -3.675 19 HD21 LEU 3 HD21 LEU 3 6.685 -0.431 -1.995 20 HD22 LEU 3 HD22 LEU 3 7.148 0.307 -3.528 21 HD23 LEU 3 HD23 LEU 3 8.353 0.079 -2.260 22 H GLY 4 H GLY 4 8.046 -2.972 -6.293 23 HA2 GLY 4 HA2 GLY 4 8.164 -4.766 -7.751 24 HA3 GLY 4 HA3 GLY 4 6.408 -4.833 -7.753 25 H SER 5 H SER 5 8.502 -2.110 -8.611 26 HA SER 5 HA SER 5 7.265 -2.129 -11.281 27 HB2 SER 5 HB2 SER 5 8.314 0.329 -11.173 28 HB3 SER 5 HB3 SER 5 6.725 -0.040 -10.504 29 HG SER 5 HG SER 5 8.611 1.052 -9.202 30 HA PRO 6 HA PRO 6 11.095 -2.810 -13.307 31 HB2 PRO 6 HB2 PRO 6 10.929 -1.153 -15.451 32 HB3 PRO 6 HB3 PRO 6 9.966 -2.628 -15.299 33 HG2 PRO 6 HG2 PRO 6 9.185 0.209 -14.749 34 HG3 PRO 6 HG3 PRO 6 8.269 -1.063 -15.578 35 HD2 PRO 6 HD2 PRO 6 7.808 -0.382 -12.998 36 HD3 PRO 6 HD3 PRO 6 7.590 -2.037 -13.603 37 H GLU 7 H GLU 7 10.280 0.442 -12.370 38 HA GLU 7 HA GLU 7 13.103 1.238 -12.596 39 HB2 GLU 7 HB2 GLU 7 10.559 2.850 -12.492 40 HB3 GLU 7 HB3 GLU 7 12.139 3.578 -12.238 41 HG2 GLU 7 HG2 GLU 7 11.248 2.117 -14.713 42 HG3 GLU 7 HG3 GLU 7 11.385 3.865 -14.530 43 H GLU 8 H GLU 8 13.677 0.103 -10.666 44 HA GLU 8 HA GLU 8 12.861 1.533 -8.224 45 HB2 GLU 8 HB2 GLU 8 13.066 -0.578 -6.977 46 HB3 GLU 8 HB3 GLU 8 11.823 -0.668 -8.216 47 HG2 GLU 8 HG2 GLU 8 13.115 -2.050 -9.582 48 HG3 GLU 8 HG3 GLU 8 14.603 -1.658 -8.722 49 H THR 9 H THR 9 15.039 2.318 -9.715 50 HA THR 9 HA THR 9 17.347 1.280 -8.210 51 HB THR 9 HB THR 9 17.431 2.884 -10.769 52 HG1 THR 9 HG1 THR 9 16.490 0.886 -11.220 53 HG21 THR 9 HG21 THR 9 19.450 1.661 -8.976 54 HG22 THR 9 HG22 THR 9 19.551 3.113 -9.973 55 HG23 THR 9 HG23 THR 9 19.732 1.521 -10.711 56 H VAL 10 H VAL 10 18.868 2.748 -7.341 57 HA VAL 10 HA VAL 10 17.809 5.469 -6.930 58 HB VAL 10 HB VAL 10 19.617 4.022 -5.003 59 HG11 VAL 10 HG11 VAL 10 19.656 6.381 -4.695 60 HG12 VAL 10 HG12 VAL 10 17.900 6.490 -4.824 61 HG13 VAL 10 HG13 VAL 10 18.635 5.710 -3.424 62 HG21 VAL 10 HG21 VAL 10 17.145 4.100 -3.810 63 HG22 VAL 10 HG22 VAL 10 16.761 3.664 -5.475 64 HG23 VAL 10 HG23 VAL 10 17.888 2.678 -4.543 65 H VAL 11 H VAL 11 19.364 7.171 -6.676 66 HA VAL 11 HA VAL 11 22.012 6.566 -7.817 67 HB VAL 11 HB VAL 11 21.944 8.732 -9.005 68 HG11 VAL 11 HG11 VAL 11 19.605 7.004 -9.786 69 HG12 VAL 11 HG12 VAL 11 20.615 7.996 -10.839 70 HG13 VAL 11 HG13 VAL 11 21.287 6.557 -10.070 71 HG21 VAL 11 HG21 VAL 11 19.047 8.775 -8.162 72 HG22 VAL 11 HG22 VAL 11 20.308 9.866 -7.586 73 HG23 VAL 11 HG23 VAL 11 19.815 9.904 -9.279 74 H ILE 12 H ILE 12 23.741 7.719 -7.012 75 HA ILE 12 HA ILE 12 23.198 9.213 -4.544 76 HB ILE 12 HB ILE 12 25.905 8.230 -5.406 77 HG12 ILE 12 HG12 ILE 12 23.808 6.707 -3.845 78 HG13 ILE 12 HG13 ILE 12 24.416 6.294 -5.444 79 HG21 ILE 12 HG21 ILE 12 25.377 9.904 -3.462 80 HG22 ILE 12 HG22 ILE 12 24.935 8.434 -2.595 81 HG23 ILE 12 HG23 ILE 12 26.565 8.620 -3.240 82 HD11 ILE 12 HD11 ILE 12 25.890 4.992 -4.433 83 HD12 ILE 12 HD12 ILE 12 26.681 6.456 -3.847 84 HD13 ILE 12 HD13 ILE 12 25.474 5.646 -2.849 85 H ALA 13 H ALA 13 23.735 11.307 -4.321 86 HA ALA 13 HA ALA 13 24.482 12.796 -6.658 87 HB1 ALA 13 HB1 ALA 13 23.041 14.072 -5.464 88 HB2 ALA 13 HB2 ALA 13 23.585 13.434 -3.913 89 HB3 ALA 13 HB3 ALA 13 24.541 14.660 -4.746 90 H LEU 14 H LEU 14 26.454 13.415 -7.261 91 HA LEU 14 HA LEU 14 28.713 12.787 -5.535 92 HB2 LEU 14 HB2 LEU 14 28.910 13.929 -8.297 93 HB3 LEU 14 HB3 LEU 14 30.064 12.912 -7.435 94 HG LEU 14 HG LEU 14 27.418 12.012 -8.576 95 HD11 LEU 14 HD11 LEU 14 28.682 12.156 -10.458 96 HD12 LEU 14 HD12 LEU 14 29.219 10.575 -9.892 97 HD13 LEU 14 HD13 LEU 14 30.206 12.004 -9.584 98 HD21 LEU 14 HD21 LEU 14 28.866 10.923 -6.468 99 HD22 LEU 14 HD22 LEU 14 29.319 9.952 -7.869 100 HD23 LEU 14 HD23 LEU 14 27.620 10.120 -7.424 101 H TYR 15 H TYR 15 27.004 15.535 -6.808 102 HA TYR 15 HA TYR 15 28.560 17.288 -5.087 103 HB2 TYR 15 HB2 TYR 15 28.220 17.919 -8.025 104 HB3 TYR 15 HB3 TYR 15 29.059 18.898 -6.827 105 HD1 TYR 15 HD2 TYR 15 31.259 18.234 -5.997 106 HD2 TYR 15 HD1 TYR 15 29.252 15.946 -8.970 107 HE1 TYR 15 HE2 TYR 15 33.365 17.074 -6.517 108 HE2 TYR 15 HE1 TYR 15 31.351 14.779 -9.498 109 HH TYR 15 HH TYR 15 33.465 14.362 -8.749 110 H ASP 16 H ASP 16 27.512 19.264 -4.601 111 HA ASP 16 HA ASP 16 24.689 19.086 -4.478 112 HB2 ASP 16 HB2 ASP 16 24.842 21.430 -3.581 113 HB3 ASP 16 HB3 ASP 16 25.847 20.257 -2.735 114 H TYR 17 H TYR 17 23.890 18.921 -6.578 115 HA TYR 17 HA TYR 17 24.494 20.865 -8.590 116 HB2 TYR 17 HB2 TYR 17 23.884 18.653 -9.300 117 HB3 TYR 17 HB3 TYR 17 22.370 18.723 -8.405 118 HD1 TYR 17 HD1 TYR 17 24.176 20.511 -11.144 119 HD2 TYR 17 HD2 TYR 17 20.433 19.273 -9.545 120 HE1 TYR 17 HE1 TYR 17 23.041 21.375 -13.148 121 HE2 TYR 17 HE2 TYR 17 19.287 20.132 -11.545 122 HH TYR 17 HH TYR 17 20.816 22.149 -13.813 123 H GLN 18 H GLN 18 23.152 22.484 -9.417 124 HA GLN 18 HA GLN 18 20.771 23.177 -7.860 125 HB2 GLN 18 HB2 GLN 18 23.235 24.831 -8.198 126 HB3 GLN 18 HB3 GLN 18 21.675 25.641 -8.144 127 HG2 GLN 18 HG2 GLN 18 21.221 24.617 -5.971 128 HG3 GLN 18 HG3 GLN 18 22.792 23.818 -6.025 129 HE21 GLN 18 HE21 GLN 18 22.162 25.411 -3.920 130 HE22 GLN 18 HE22 GLN 18 23.099 26.862 -3.970 131 H THR 19 H THR 19 19.116 23.593 -9.155 132 HA THR 19 HA THR 19 19.593 23.997 -11.998 133 HB THR 19 HB THR 19 17.917 22.355 -11.455 134 HG1 THR 19 HG1 THR 19 17.480 23.692 -13.278 135 HG21 THR 19 HG21 THR 19 16.942 24.480 -9.633 136 HG22 THR 19 HG22 THR 19 16.976 22.730 -9.417 137 HG23 THR 19 HG23 THR 19 15.722 23.472 -10.410 138 H ASN 20 H ASN 20 18.316 25.627 -13.182 139 HA ASN 20 HA ASN 20 18.344 28.162 -11.723 140 HB2 ASN 20 HB2 ASN 20 18.266 29.203 -13.965 141 HB3 ASN 20 HB3 ASN 20 19.625 28.096 -13.796 142 HD21 ASN 20 HD21 ASN 20 17.240 29.056 -15.808 143 HD22 ASN 20 HD22 ASN 20 17.088 27.640 -16.787 144 H ASP 21 H ASP 21 16.181 25.919 -13.224 145 HA ASP 21 HA ASP 21 13.938 27.748 -12.666 146 HB2 ASP 21 HB2 ASP 21 14.458 25.964 -15.006 147 HB3 ASP 21 HB3 ASP 21 12.792 26.204 -14.486 148 HA PRO 22 HA PRO 22 12.167 24.702 -10.056 149 HB2 PRO 22 HB2 PRO 22 9.518 24.930 -10.606 150 HB3 PRO 22 HB3 PRO 22 10.422 26.154 -9.705 151 HG2 PRO 22 HG2 PRO 22 9.641 26.120 -12.595 152 HG3 PRO 22 HG3 PRO 22 9.583 27.460 -11.436 153 HD2 PRO 22 HD2 PRO 22 11.571 27.193 -13.255 154 HD3 PRO 22 HD3 PRO 22 11.832 27.912 -11.653 155 H GLN 23 H GLN 23 11.738 24.472 -13.465 156 HA GLN 23 HA GLN 23 10.207 22.147 -13.686 157 HB2 GLN 23 HB2 GLN 23 11.126 23.801 -15.500 158 HB3 GLN 23 HB3 GLN 23 12.475 22.675 -15.569 159 HG2 GLN 23 HG2 GLN 23 11.193 21.743 -17.171 160 HG3 GLN 23 HG3 GLN 23 10.486 20.925 -15.778 161 HE21 GLN 23 HE21 GLN 23 10.140 23.986 -17.545 162 HE22 GLN 23 HE22 GLN 23 8.413 23.988 -17.542 163 H GLU 24 H GLU 24 13.637 22.597 -13.066 164 HA GLU 24 HA GLU 24 13.983 19.681 -12.935 165 HB2 GLU 24 HB2 GLU 24 16.222 21.684 -12.849 166 HB3 GLU 24 HB3 GLU 24 16.285 19.987 -13.304 167 HG2 GLU 24 HG2 GLU 24 14.587 20.938 -15.175 168 HG3 GLU 24 HG3 GLU 24 15.605 22.352 -14.904 169 H LEU 25 H LEU 25 15.554 18.944 -11.211 170 HA LEU 25 HA LEU 25 14.924 20.336 -8.695 171 HB2 LEU 25 HB2 LEU 25 14.667 17.621 -9.492 172 HB3 LEU 25 HB3 LEU 25 15.889 17.705 -8.225 173 HG LEU 25 HG LEU 25 14.311 18.696 -6.699 174 HD11 LEU 25 HD11 LEU 25 12.769 19.117 -9.158 175 HD12 LEU 25 HD12 LEU 25 12.795 20.042 -7.657 176 HD13 LEU 25 HD13 LEU 25 11.824 18.574 -7.771 177 HD21 LEU 25 HD21 LEU 25 12.450 16.685 -7.505 178 HD22 LEU 25 HD22 LEU 25 13.613 16.657 -6.179 179 HD23 LEU 25 HD23 LEU 25 14.092 16.105 -7.785 180 H ALA 26 H ALA 26 16.608 19.732 -6.921 181 HA ALA 26 HA ALA 26 19.290 20.155 -8.069 182 HB1 ALA 26 HB1 ALA 26 19.341 22.013 -6.852 183 HB2 ALA 26 HB2 ALA 26 17.829 21.595 -6.044 184 HB3 ALA 26 HB3 ALA 26 19.362 20.995 -5.412 185 H LEU 27 H LEU 27 21.081 19.184 -7.008 186 HA LEU 27 HA LEU 27 20.351 16.762 -5.507 187 HB2 LEU 27 HB2 LEU 27 22.865 17.320 -7.073 188 HB3 LEU 27 HB3 LEU 27 22.429 15.797 -6.300 189 HG LEU 27 HG LEU 27 20.656 16.930 -8.422 190 HD11 LEU 27 HD11 LEU 27 22.427 15.064 -9.597 191 HD12 LEU 27 HD12 LEU 27 23.402 16.313 -8.825 192 HD13 LEU 27 HD13 LEU 27 22.181 16.759 -10.017 193 HD21 LEU 27 HD21 LEU 27 19.979 14.968 -7.076 194 HD22 LEU 27 HD22 LEU 27 21.397 14.105 -7.670 195 HD23 LEU 27 HD23 LEU 27 20.134 14.606 -8.795 196 H ARG 28 H ARG 28 21.744 16.071 -3.782 197 HA ARG 28 HA ARG 28 23.296 18.260 -2.567 198 HB2 ARG 28 HB2 ARG 28 20.980 17.618 -1.536 199 HB3 ARG 28 HB3 ARG 28 21.857 16.237 -0.890 200 HG2 ARG 28 HG2 ARG 28 22.960 18.974 -0.485 201 HG3 ARG 28 HG3 ARG 28 21.602 18.430 0.503 202 HD2 ARG 28 HD2 ARG 28 23.077 16.315 0.871 203 HD3 ARG 28 HD3 ARG 28 24.394 17.371 0.364 204 HE ARG 28 HE ARG 28 22.988 17.437 2.863 205 HH11 ARG 28 HH11 ARG 28 24.822 19.314 0.575 206 HH12 ARG 28 HH12 ARG 28 25.343 20.477 1.749 207 HH21 ARG 28 HH21 ARG 28 23.667 18.961 4.418 208 HH22 ARG 28 HH22 ARG 28 24.686 20.275 3.935 209 H ARG 29 H ARG 29 25.331 17.768 -2.069 210 HA ARG 29 HA ARG 29 26.592 15.428 -2.798 211 HB2 ARG 29 HB2 ARG 29 27.525 17.761 -2.012 212 HB3 ARG 29 HB3 ARG 29 27.627 16.963 -0.449 213 HG2 ARG 29 HG2 ARG 29 29.196 15.411 -1.210 214 HG3 ARG 29 HG3 ARG 29 28.832 15.742 -2.904 215 HD2 ARG 29 HD2 ARG 29 29.795 17.978 -2.675 216 HD3 ARG 29 HD3 ARG 29 30.148 17.654 -0.978 217 HE ARG 29 HE ARG 29 31.335 15.683 -2.619 218 HH11 ARG 29 HH11 ARG 29 31.668 19.018 -1.676 219 HH12 ARG 29 HH12 ARG 29 33.380 19.056 -1.937 220 HH21 ARG 29 HH21 ARG 29 33.590 15.721 -2.966 221 HH22 ARG 29 HH22 ARG 29 34.472 17.181 -2.671 222 H ASN 30 H ASN 30 26.944 13.476 -1.900 223 HA ASN 30 HA ASN 30 26.770 11.701 -0.488 224 HB2 ASN 30 HB2 ASN 30 28.015 13.390 1.012 225 HB3 ASN 30 HB3 ASN 30 26.463 13.622 1.810 226 HD21 ASN 30 HD21 ASN 30 28.876 11.209 0.951 227 HD22 ASN 30 HD22 ASN 30 28.533 10.136 2.261 228 H GLU 31 H GLU 31 24.500 12.189 -1.759 229 HA GLU 31 HA GLU 31 22.478 11.494 0.226 230 HB2 GLU 31 HB2 GLU 31 22.497 14.040 -0.440 231 HB3 GLU 31 HB3 GLU 31 21.699 13.456 -1.893 232 HG2 GLU 31 HG2 GLU 31 20.086 14.198 -0.239 233 HG3 GLU 31 HG3 GLU 31 19.932 12.469 -0.546 234 H GLU 32 H GLU 32 20.550 10.527 -0.737 235 HA GLU 32 HA GLU 32 21.174 9.232 -3.307 236 HB2 GLU 32 HB2 GLU 32 19.951 8.233 -0.786 237 HB3 GLU 32 HB3 GLU 32 19.338 7.576 -2.297 238 HG2 GLU 32 HG2 GLU 32 21.278 6.490 -2.779 239 HG3 GLU 32 HG3 GLU 32 22.277 7.655 -1.913 240 H TYR 33 H TYR 33 19.418 8.790 -4.748 241 HA TYR 33 HA TYR 33 16.936 10.258 -4.266 242 HB2 TYR 33 HB2 TYR 33 18.767 10.703 -6.627 243 HB3 TYR 33 HB3 TYR 33 17.085 11.218 -6.596 244 HD1 TYR 33 HD2 TYR 33 20.441 11.818 -5.254 245 HD2 TYR 33 HD1 TYR 33 16.380 13.087 -5.220 246 HE1 TYR 33 HE2 TYR 33 21.111 13.914 -4.154 247 HE2 TYR 33 HE1 TYR 33 17.039 15.187 -4.122 248 HH TYR 33 HH TYR 33 19.874 15.655 -2.601 249 H CYS 34 H CYS 34 15.213 9.132 -4.897 250 HA CYS 34 HA CYS 34 15.481 6.542 -6.010 251 HB2 CYS 34 HB2 CYS 34 13.181 8.310 -5.282 252 HB3 CYS 34 HB3 CYS 34 12.878 6.881 -6.263 253 HG CYS 34 HG CYS 34 12.287 5.798 -3.937 254 H LEU 35 H LEU 35 16.179 6.301 -8.044 255 HA LEU 35 HA LEU 35 15.784 8.134 -10.137 256 HB2 LEU 35 HB2 LEU 35 17.426 6.092 -9.828 257 HB3 LEU 35 HB3 LEU 35 16.168 5.241 -10.721 258 HG LEU 35 HG LEU 35 17.981 6.004 -12.180 259 HD11 LEU 35 HD11 LEU 35 16.555 6.393 -13.861 260 HD12 LEU 35 HD12 LEU 35 15.845 7.798 -13.067 261 HD13 LEU 35 HD13 LEU 35 15.302 6.176 -12.638 262 HD21 LEU 35 HD21 LEU 35 18.929 7.988 -11.900 263 HD22 LEU 35 HD22 LEU 35 17.766 8.371 -10.631 264 HD23 LEU 35 HD23 LEU 35 17.409 8.783 -12.309 265 H LEU 36 H LEU 36 14.211 8.392 -11.615 266 HA LEU 36 HA LEU 36 11.960 6.490 -11.548 267 HB2 LEU 36 HB2 LEU 36 11.803 9.418 -12.231 268 HB3 LEU 36 HB3 LEU 36 10.461 8.299 -12.003 269 HG LEU 36 HG LEU 36 12.256 8.676 -9.685 270 HD11 LEU 36 HD11 LEU 36 11.483 10.797 -9.073 271 HD12 LEU 36 HD12 LEU 36 10.233 10.800 -10.317 272 HD13 LEU 36 HD13 LEU 36 11.929 10.964 -10.772 273 HD21 LEU 36 HD21 LEU 36 10.318 8.302 -8.459 274 HD22 LEU 36 HD22 LEU 36 10.094 7.286 -9.883 275 HD23 LEU 36 HD23 LEU 36 9.266 8.840 -9.768 276 H ASP 37 H ASP 37 13.646 8.848 -13.611 277 HA ASP 37 HA ASP 37 13.221 7.049 -15.887 278 HB2 ASP 37 HB2 ASP 37 11.884 9.522 -15.543 279 HB3 ASP 37 HB3 ASP 37 13.090 9.764 -16.804 280 H SER 38 H SER 38 15.103 6.590 -16.795 281 HA SER 38 HA SER 38 17.195 8.656 -16.856 282 HB2 SER 38 HB2 SER 38 18.864 6.768 -16.489 283 HB3 SER 38 HB3 SER 38 17.901 7.229 -15.085 284 HG SER 38 HG SER 38 17.814 4.906 -16.629 285 H SER 39 H SER 39 16.719 9.070 -19.025 286 HA SER 39 HA SER 39 17.003 6.865 -20.925 287 HB2 SER 39 HB2 SER 39 15.107 8.523 -21.112 288 HB3 SER 39 HB3 SER 39 16.308 9.746 -21.527 289 HG SER 39 HG SER 39 15.141 8.073 -23.158 290 H GLU 40 H GLU 40 18.403 10.047 -20.214 291 HA GLU 40 HA GLU 40 20.969 9.164 -21.203 292 HB2 GLU 40 HB2 GLU 40 19.288 10.427 -23.009 293 HB3 GLU 40 HB3 GLU 40 20.324 11.726 -22.436 294 HG2 GLU 40 HG2 GLU 40 21.878 11.053 -23.852 295 HG3 GLU 40 HG3 GLU 40 22.021 9.555 -22.935 296 H ILE 41 H ILE 41 22.684 10.731 -20.764 297 HA ILE 41 HA ILE 41 22.557 11.787 -18.195 298 HB ILE 41 HB ILE 41 24.677 11.262 -19.283 299 HG12 ILE 41 HG12 ILE 41 24.527 14.202 -18.589 300 HG13 ILE 41 HG13 ILE 41 24.584 12.901 -17.405 301 HG21 ILE 41 HG21 ILE 41 25.224 13.552 -20.807 302 HG22 ILE 41 HG22 ILE 41 25.026 11.897 -21.381 303 HG23 ILE 41 HG23 ILE 41 23.638 12.983 -21.328 304 HD11 ILE 41 HD11 ILE 41 26.787 12.465 -17.790 305 HD12 ILE 41 HD12 ILE 41 26.726 13.042 -19.455 306 HD13 ILE 41 HD13 ILE 41 26.746 14.196 -18.122 307 H HIS 42 H HIS 42 21.392 13.082 -21.132 308 HA HIS 42 HA HIS 42 21.608 15.820 -20.779 309 HB2 HIS 42 HB2 HIS 42 19.233 14.341 -21.929 310 HB3 HIS 42 HB3 HIS 42 19.652 16.026 -22.223 311 HD1 HIS 42 HD1 HIS 42 22.817 15.050 -22.484 312 HD2 HIS 42 HD2 HIS 42 19.514 13.917 -24.735 313 HE1 HIS 42 HE1 HIS 42 23.744 14.237 -24.676 314 H TRP 43 H TRP 43 19.085 13.631 -19.573 315 HA TRP 43 HA TRP 43 18.607 15.384 -17.328 316 HB2 TRP 43 HB2 TRP 43 16.201 15.646 -17.753 317 HB3 TRP 43 HB3 TRP 43 17.160 16.391 -19.029 318 HD1 TRP 43 HD1 TRP 43 16.925 15.419 -21.466 319 HE1 TRP 43 HE1 TRP 43 15.308 13.727 -22.539 320 HE3 TRP 43 HE3 TRP 43 14.875 13.449 -17.217 321 HZ2 TRP 43 HZ2 TRP 43 13.414 11.812 -21.695 322 HZ3 TRP 43 HZ3 TRP 43 13.167 11.691 -17.437 323 HH2 TRP 43 HH2 TRP 43 12.453 10.891 -19.631 324 H TRP 44 H TRP 44 18.183 14.197 -15.581 325 HA TRP 44 HA TRP 44 17.126 11.473 -15.973 326 HB2 TRP 44 HB2 TRP 44 19.477 12.437 -14.449 327 HB3 TRP 44 HB3 TRP 44 18.489 11.213 -13.657 328 HD1 TRP 44 HD1 TRP 44 18.966 11.141 -17.449 329 HE1 TRP 44 HE1 TRP 44 20.336 9.052 -18.068 330 HE3 TRP 44 HE3 TRP 44 20.235 9.582 -12.748 331 HZ2 TRP 44 HZ2 TRP 44 21.766 7.013 -16.739 332 HZ3 TRP 44 HZ3 TRP 44 21.605 7.552 -12.509 333 HH2 TRP 44 HH2 TRP 44 22.353 6.296 -14.464 334 H ARG 45 H ARG 45 15.148 11.320 -15.164 335 HA ARG 45 HA ARG 45 14.166 13.180 -13.203 336 HB2 ARG 45 HB2 ARG 45 13.046 11.233 -15.042 337 HB3 ARG 45 HB3 ARG 45 12.292 11.128 -13.457 338 HG2 ARG 45 HG2 ARG 45 12.619 13.836 -14.595 339 HG3 ARG 45 HG3 ARG 45 11.439 12.775 -15.369 340 HD2 ARG 45 HD2 ARG 45 10.706 12.340 -12.875 341 HD3 ARG 45 HD3 ARG 45 11.466 13.910 -12.616 342 HE ARG 45 HE ARG 45 9.584 13.844 -14.798 343 HH11 ARG 45 HH11 ARG 45 10.027 14.353 -11.383 344 HH12 ARG 45 HH12 ARG 45 8.600 15.320 -11.209 345 HH21 ARG 45 HH21 ARG 45 7.702 15.116 -14.582 346 HH22 ARG 45 HH22 ARG 45 7.278 15.753 -13.030 347 H VAL 46 H VAL 46 14.381 12.968 -11.084 348 HA VAL 46 HA VAL 46 14.382 10.280 -9.906 349 HB VAL 46 HB VAL 46 16.206 10.806 -8.417 350 HG11 VAL 46 HG11 VAL 46 17.848 10.330 -9.893 351 HG12 VAL 46 HG12 VAL 46 16.495 10.190 -11.017 352 HG13 VAL 46 HG13 VAL 46 17.438 11.679 -10.951 353 HG21 VAL 46 HG21 VAL 46 16.209 13.492 -9.780 354 HG22 VAL 46 HG22 VAL 46 15.906 13.151 -8.076 355 HG23 VAL 46 HG23 VAL 46 17.518 12.912 -8.750 356 H GLN 47 H GLN 47 14.186 10.442 -7.447 357 HA GLN 47 HA GLN 47 12.496 12.730 -6.696 358 HB2 GLN 47 HB2 GLN 47 10.978 10.929 -7.142 359 HB3 GLN 47 HB3 GLN 47 11.956 9.800 -6.215 360 HG2 GLN 47 HG2 GLN 47 11.337 10.779 -4.169 361 HG3 GLN 47 HG3 GLN 47 10.670 12.204 -4.965 362 HE21 GLN 47 HE21 GLN 47 10.269 8.676 -5.049 363 HE22 GLN 47 HE22 GLN 47 8.542 8.702 -5.077 364 H ASP 48 H ASP 48 12.816 13.553 -4.692 365 HA ASP 48 HA ASP 48 15.160 12.684 -3.262 366 HB2 ASP 48 HB2 ASP 48 14.620 14.609 -1.756 367 HB3 ASP 48 HB3 ASP 48 14.786 15.054 -3.453 368 H ARG 49 H ARG 49 14.706 13.021 -0.659 369 HA ARG 49 HA ARG 49 12.973 10.760 -0.020 370 HB2 ARG 49 HB2 ARG 49 14.109 10.806 2.178 371 HB3 ARG 49 HB3 ARG 49 15.234 10.645 0.836 372 HG2 ARG 49 HG2 ARG 49 16.374 12.336 1.696 373 HG3 ARG 49 HG3 ARG 49 15.022 13.387 1.267 374 HD2 ARG 49 HD2 ARG 49 15.663 13.598 3.634 375 HD3 ARG 49 HD3 ARG 49 14.008 13.025 3.433 376 HE ARG 49 HE ARG 49 15.911 10.901 3.732 377 HH11 ARG 49 HH11 ARG 49 13.927 13.204 5.429 378 HH12 ARG 49 HH12 ARG 49 13.846 12.261 6.880 379 HH21 ARG 49 HH21 ARG 49 15.811 9.650 5.637 380 HH22 ARG 49 HH22 ARG 49 14.919 10.240 6.998 381 H ASN 50 H ASN 50 12.011 13.540 -0.617 382 HA ASN 50 HA ASN 50 10.608 14.041 1.926 383 HB2 ASN 50 HB2 ASN 50 11.132 16.036 -0.288 384 HB3 ASN 50 HB3 ASN 50 10.401 16.370 1.279 385 HD21 ASN 50 HD21 ASN 50 13.357 15.384 -0.334 386 HD22 ASN 50 HD22 ASN 50 14.433 15.913 0.910 387 H GLY 51 H GLY 51 10.321 13.428 -1.473 388 HA2 GLY 51 HA2 GLY 51 8.226 12.303 -2.129 389 HA3 GLY 51 HA3 GLY 51 7.380 13.525 -1.192 390 H HIS 52 H HIS 52 10.106 14.507 -3.066 391 HA HIS 52 HA HIS 52 8.285 15.680 -5.064 392 HB2 HIS 52 HB2 HIS 52 10.914 16.886 -4.208 393 HB3 HIS 52 HB3 HIS 52 9.634 17.641 -5.154 394 HD1 HIS 52 HD1 HIS 52 10.889 17.352 -1.771 395 HD2 HIS 52 HD2 HIS 52 7.205 18.096 -3.542 396 HE1 HIS 52 HE1 HIS 52 9.467 18.370 0.037 397 H GLU 53 H GLU 53 8.836 15.547 -7.198 398 HA GLU 53 HA GLU 53 11.310 14.071 -7.826 399 HB2 GLU 53 HB2 GLU 53 8.798 13.918 -9.477 400 HB3 GLU 53 HB3 GLU 53 10.196 12.853 -9.517 401 HG2 GLU 53 HG2 GLU 53 9.531 12.308 -7.072 402 HG3 GLU 53 HG3 GLU 53 7.966 12.970 -7.538 403 H GLY 54 H GLY 54 12.568 14.814 -9.470 404 HA2 GLY 54 HA2 GLY 54 11.561 16.847 -11.287 405 HA3 GLY 54 HA3 GLY 54 12.799 17.388 -10.163 406 H TYR 55 H TYR 55 13.755 17.817 -12.411 407 HA TYR 55 HA TYR 55 15.057 15.420 -13.489 408 HB2 TYR 55 HB2 TYR 55 14.776 18.208 -14.625 409 HB3 TYR 55 HB3 TYR 55 15.666 16.904 -15.403 410 HD1 TYR 55 HD1 TYR 55 12.288 17.906 -14.235 411 HD2 TYR 55 HD2 TYR 55 14.555 15.323 -16.743 412 HE1 TYR 55 HE1 TYR 55 10.214 17.146 -15.317 413 HE2 TYR 55 HE2 TYR 55 12.487 14.557 -17.832 414 HH TYR 55 HH TYR 55 9.745 16.062 -17.839 415 H VAL 56 H VAL 56 17.259 15.201 -13.578 416 HA VAL 56 HA VAL 56 18.976 17.362 -12.671 417 HB VAL 56 HB VAL 56 20.114 15.759 -11.035 418 HG11 VAL 56 HG11 VAL 56 17.359 16.798 -10.376 419 HG12 VAL 56 HG12 VAL 56 18.622 16.397 -9.210 420 HG13 VAL 56 HG13 VAL 56 18.854 17.733 -10.339 421 HG21 VAL 56 HG21 VAL 56 18.980 13.721 -11.740 422 HG22 VAL 56 HG22 VAL 56 18.669 14.050 -10.035 423 HG23 VAL 56 HG23 VAL 56 17.429 14.397 -11.240 424 HA PRO 57 HA PRO 57 21.839 15.573 -15.478 425 HB2 PRO 57 HB2 PRO 57 24.206 16.237 -14.327 426 HB3 PRO 57 HB3 PRO 57 23.161 17.418 -15.125 427 HG2 PRO 57 HG2 PRO 57 23.453 16.814 -12.208 428 HG3 PRO 57 HG3 PRO 57 23.331 18.387 -13.018 429 HD2 PRO 57 HD2 PRO 57 21.227 17.222 -11.776 430 HD3 PRO 57 HD3 PRO 57 21.038 18.253 -13.209 431 H SER 58 H SER 58 22.627 13.586 -15.825 432 HA SER 58 HA SER 58 22.792 11.714 -13.658 433 HB2 SER 58 HB2 SER 58 21.929 11.122 -15.928 434 HB3 SER 58 HB3 SER 58 23.566 11.308 -16.556 435 HG SER 58 HG SER 58 24.220 9.630 -15.168 436 H SER 59 H SER 59 25.042 13.585 -15.540 437 HA SER 59 HA SER 59 27.397 12.159 -15.114 438 HB2 SER 59 HB2 SER 59 26.682 14.672 -16.189 439 HB3 SER 59 HB3 SER 59 27.922 14.984 -14.975 440 HG SER 59 HG SER 59 28.785 14.518 -17.067 441 H TYR 60 H TYR 60 25.482 13.982 -12.922 442 HA TYR 60 HA TYR 60 27.637 13.925 -10.918 443 HB2 TYR 60 HB2 TYR 60 25.111 15.590 -10.953 444 HB3 TYR 60 HB3 TYR 60 26.357 15.644 -9.712 445 HD1 TYR 60 HD2 TYR 60 25.945 16.067 -13.399 446 HD2 TYR 60 HD1 TYR 60 28.032 17.234 -9.880 447 HE1 TYR 60 HE2 TYR 60 27.143 17.786 -14.687 448 HE2 TYR 60 HE1 TYR 60 29.235 18.957 -11.158 449 HH TYR 60 HH TYR 60 28.439 20.261 -13.690 450 H LEU 61 H LEU 61 25.635 11.797 -11.805 451 HA LEU 61 HA LEU 61 24.767 11.086 -9.092 452 HB2 LEU 61 HB2 LEU 61 23.128 11.148 -11.593 453 HB3 LEU 61 HB3 LEU 61 22.752 9.994 -10.316 454 HG LEU 61 HG LEU 61 22.891 12.962 -9.833 455 HD11 LEU 61 HD11 LEU 61 20.429 12.938 -9.983 456 HD12 LEU 61 HD12 LEU 61 20.504 11.289 -10.602 457 HD13 LEU 61 HD13 LEU 61 21.212 12.612 -11.529 458 HD21 LEU 61 HD21 LEU 61 22.308 10.577 -8.244 459 HD22 LEU 61 HD22 LEU 61 21.101 11.854 -8.093 460 HD23 LEU 61 HD23 LEU 61 22.795 12.193 -7.732 461 H VAL 62 H VAL 62 25.204 9.039 -8.516 462 HA VAL 62 HA VAL 62 26.139 7.200 -10.624 463 HB VAL 62 HB VAL 62 27.113 7.468 -7.779 464 HG11 VAL 62 HG11 VAL 62 28.762 5.666 -8.577 465 HG12 VAL 62 HG12 VAL 62 27.131 5.161 -8.128 466 HG13 VAL 62 HG13 VAL 62 27.568 5.328 -9.829 467 HG21 VAL 62 HG21 VAL 62 29.183 8.143 -8.704 468 HG22 VAL 62 HG22 VAL 62 28.688 7.686 -10.334 469 HG23 VAL 62 HG23 VAL 62 27.946 9.077 -9.545 470 H GLU 63 H GLU 63 25.029 5.375 -10.844 471 HA GLU 63 HA GLU 63 22.718 4.774 -9.428 472 HB2 GLU 63 HB2 GLU 63 24.234 3.602 -11.546 473 HB3 GLU 63 HB3 GLU 63 23.801 2.334 -10.407 474 HG2 GLU 63 HG2 GLU 63 21.428 3.445 -10.573 475 HG3 GLU 63 HG3 GLU 63 22.057 4.031 -12.112 476 H LYS 64 H LYS 64 22.484 4.215 -7.377 477 HA LYS 64 HA LYS 64 24.625 3.276 -5.763 478 HB2 LYS 64 HB2 LYS 64 22.794 4.623 -4.846 479 HB3 LYS 64 HB3 LYS 64 21.653 3.335 -5.209 480 HG2 LYS 64 HG2 LYS 64 22.296 2.074 -3.442 481 HG3 LYS 64 HG3 LYS 64 23.970 2.629 -3.512 482 HD2 LYS 64 HD2 LYS 64 23.430 4.670 -2.431 483 HD3 LYS 64 HD3 LYS 64 21.698 4.393 -2.623 484 HE2 LYS 64 HE2 LYS 64 23.417 2.506 -1.048 485 HE3 LYS 64 HE3 LYS 64 22.759 3.970 -0.318 486 HZ1 LYS 64 HZ1 LYS 64 21.483 1.511 -0.733 487 HZ2 LYS 64 HZ2 LYS 64 20.690 2.670 -1.674 488 HZ3 LYS 64 HZ3 LYS 64 20.859 2.906 -0.007 489 H SER 65 H SER 65 25.417 1.357 -6.595 490 HA SER 65 HA SER 65 23.609 -0.898 -6.936 491 HB2 SER 65 HB2 SER 65 25.979 -2.007 -7.429 492 HB3 SER 65 HB3 SER 65 25.157 -1.014 -8.633 493 HG SER 65 HG SER 65 27.511 -0.584 -7.372 494 HA PRO 66 HA PRO 66 24.354 -2.873 -3.092 495 HB2 PRO 66 HB2 PRO 66 24.543 -5.487 -3.802 496 HB3 PRO 66 HB3 PRO 66 23.018 -4.593 -3.824 497 HG2 PRO 66 HG2 PRO 66 24.867 -5.241 -6.087 498 HG3 PRO 66 HG3 PRO 66 23.096 -5.316 -6.033 499 HD2 PRO 66 HD2 PRO 66 24.432 -3.255 -7.172 500 HD3 PRO 66 HD3 PRO 66 22.864 -3.047 -6.366 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -0.321 0.883 -1.807 2 HA2 GLY 1 HA2 GLY 1 1.039 1.092 0.425 3 HA3 GLY 1 HA3 GLY 1 0.552 -0.590 0.571 4 HA PRO 2 HA PRO 2 3.900 -1.946 -1.905 5 HB2 PRO 2 HB2 PRO 2 2.793 -3.726 -3.630 6 HB3 PRO 2 HB3 PRO 2 2.988 -4.055 -1.905 7 HG2 PRO 2 HG2 PRO 2 0.557 -3.146 -3.397 8 HG3 PRO 2 HG3 PRO 2 0.694 -4.369 -2.121 9 HD2 PRO 2 HD2 PRO 2 -0.189 -1.855 -1.640 10 HD3 PRO 2 HD3 PRO 2 0.722 -2.793 -0.439 11 H LEU 3 H LEU 3 4.715 -0.300 -3.121 12 HA LEU 3 HA LEU 3 3.384 0.365 -5.649 13 HB2 LEU 3 HB2 LEU 3 4.653 1.914 -3.677 14 HB3 LEU 3 HB3 LEU 3 5.698 1.970 -5.095 15 HG LEU 3 HG LEU 3 4.093 3.854 -4.956 16 HD11 LEU 3 HD11 LEU 3 3.668 3.912 -7.235 17 HD12 LEU 3 HD12 LEU 3 3.378 2.175 -7.328 18 HD13 LEU 3 HD13 LEU 3 5.019 2.784 -7.113 19 HD21 LEU 3 HD21 LEU 3 1.914 3.568 -4.609 20 HD22 LEU 3 HD22 LEU 3 2.277 1.879 -4.251 21 HD23 LEU 3 HD23 LEU 3 1.799 2.353 -5.882 22 H GLY 4 H GLY 4 4.051 -0.817 -7.319 23 HA2 GLY 4 HA2 GLY 4 6.910 -1.538 -7.463 24 HA3 GLY 4 HA3 GLY 4 5.612 -2.467 -8.197 25 H SER 5 H SER 5 8.025 -0.249 -8.767 26 HA SER 5 HA SER 5 6.724 0.701 -11.235 27 HB2 SER 5 HB2 SER 5 9.132 2.154 -10.620 28 HB3 SER 5 HB3 SER 5 7.481 2.757 -10.769 29 HG SER 5 HG SER 5 8.862 1.887 -8.482 30 HA PRO 6 HA PRO 6 9.665 -1.378 -13.738 31 HB2 PRO 6 HB2 PRO 6 10.147 0.431 -15.704 32 HB3 PRO 6 HB3 PRO 6 8.623 -0.454 -15.565 33 HG2 PRO 6 HG2 PRO 6 9.280 2.334 -14.695 34 HG3 PRO 6 HG3 PRO 6 7.828 1.731 -15.516 35 HD2 PRO 6 HD2 PRO 6 7.901 2.214 -12.852 36 HD3 PRO 6 HD3 PRO 6 6.904 0.928 -13.563 37 H GLU 7 H GLU 7 10.508 1.739 -12.441 38 HA GLU 7 HA GLU 7 13.363 1.113 -12.823 39 HB2 GLU 7 HB2 GLU 7 11.863 3.700 -12.839 40 HB3 GLU 7 HB3 GLU 7 13.538 3.689 -12.303 41 HG2 GLU 7 HG2 GLU 7 13.703 4.194 -14.551 42 HG3 GLU 7 HG3 GLU 7 14.019 2.460 -14.506 43 H GLU 8 H GLU 8 13.640 -0.076 -10.948 44 HA GLU 8 HA GLU 8 13.059 1.284 -8.409 45 HB2 GLU 8 HB2 GLU 8 13.314 -0.909 -7.357 46 HB3 GLU 8 HB3 GLU 8 12.112 -0.961 -8.639 47 HG2 GLU 8 HG2 GLU 8 13.686 -2.016 -10.131 48 HG3 GLU 8 HG3 GLU 8 14.965 -1.874 -8.926 49 H THR 9 H THR 9 15.258 2.119 -10.010 50 HA THR 9 HA THR 9 17.578 1.114 -8.510 51 HB THR 9 HB THR 9 17.619 2.816 -11.006 52 HG1 THR 9 HG1 THR 9 16.778 0.883 -11.654 53 HG21 THR 9 HG21 THR 9 19.668 2.964 -9.741 54 HG22 THR 9 HG22 THR 9 19.948 1.956 -11.161 55 HG23 THR 9 HG23 THR 9 19.739 1.210 -9.577 56 H VAL 10 H VAL 10 19.069 2.577 -7.587 57 HA VAL 10 HA VAL 10 17.989 5.282 -7.121 58 HB VAL 10 HB VAL 10 19.678 3.758 -5.143 59 HG11 VAL 10 HG11 VAL 10 19.744 6.116 -4.790 60 HG12 VAL 10 HG12 VAL 10 17.995 6.252 -4.975 61 HG13 VAL 10 HG13 VAL 10 18.673 5.428 -3.570 62 HG21 VAL 10 HG21 VAL 10 17.909 2.453 -4.760 63 HG22 VAL 10 HG22 VAL 10 17.125 3.886 -4.094 64 HG23 VAL 10 HG23 VAL 10 16.861 3.440 -5.779 65 H VAL 11 H VAL 11 19.533 6.966 -6.779 66 HA VAL 11 HA VAL 11 22.251 6.356 -7.733 67 HB VAL 11 HB VAL 11 22.252 8.518 -8.957 68 HG11 VAL 11 HG11 VAL 11 20.779 7.735 -10.832 69 HG12 VAL 11 HG12 VAL 11 21.931 6.537 -10.240 70 HG13 VAL 11 HG13 VAL 11 20.233 6.437 -9.772 71 HG21 VAL 11 HG21 VAL 11 20.459 9.626 -7.729 72 HG22 VAL 11 HG22 VAL 11 20.119 9.608 -9.459 73 HG23 VAL 11 HG23 VAL 11 19.289 8.481 -8.386 74 H ILE 12 H ILE 12 23.907 7.692 -6.944 75 HA ILE 12 HA ILE 12 23.172 9.192 -4.522 76 HB ILE 12 HB ILE 12 25.969 8.296 -5.112 77 HG12 ILE 12 HG12 ILE 12 23.776 6.613 -3.882 78 HG13 ILE 12 HG13 ILE 12 24.623 6.287 -5.391 79 HG21 ILE 12 HG21 ILE 12 26.363 8.670 -2.891 80 HG22 ILE 12 HG22 ILE 12 25.090 9.856 -3.179 81 HG23 ILE 12 HG23 ILE 12 24.701 8.312 -2.422 82 HD11 ILE 12 HD11 ILE 12 25.823 6.275 -2.633 83 HD12 ILE 12 HD12 ILE 12 25.459 4.868 -3.632 84 HD13 ILE 12 HD13 ILE 12 26.710 6.006 -4.133 85 H ALA 13 H ALA 13 23.680 11.297 -4.321 86 HA ALA 13 HA ALA 13 24.543 12.738 -6.641 87 HB1 ALA 13 HB1 ALA 13 23.069 14.054 -5.545 88 HB2 ALA 13 HB2 ALA 13 23.512 13.420 -3.960 89 HB3 ALA 13 HB3 ALA 13 24.530 14.630 -4.741 90 H LEU 14 H LEU 14 26.545 13.299 -7.186 91 HA LEU 14 HA LEU 14 28.736 12.690 -5.385 92 HB2 LEU 14 HB2 LEU 14 29.062 13.915 -8.093 93 HB3 LEU 14 HB3 LEU 14 30.142 12.824 -7.228 94 HG LEU 14 HG LEU 14 27.552 12.100 -8.595 95 HD11 LEU 14 HD11 LEU 14 29.096 10.667 -9.948 96 HD12 LEU 14 HD12 LEU 14 30.444 11.518 -9.195 97 HD13 LEU 14 HD13 LEU 14 29.289 12.403 -10.191 98 HD21 LEU 14 HD21 LEU 14 29.014 9.811 -7.852 99 HD22 LEU 14 HD22 LEU 14 27.434 10.330 -7.263 100 HD23 LEU 14 HD23 LEU 14 28.900 10.830 -6.416 101 H TYR 15 H TYR 15 27.112 15.477 -6.721 102 HA TYR 15 HA TYR 15 28.573 17.189 -4.873 103 HB2 TYR 15 HB2 TYR 15 28.352 17.947 -7.788 104 HB3 TYR 15 HB3 TYR 15 29.229 18.799 -6.521 105 HD1 TYR 15 HD2 TYR 15 31.318 17.816 -5.595 106 HD2 TYR 15 HD1 TYR 15 29.334 16.117 -8.954 107 HE1 TYR 15 HE2 TYR 15 33.359 16.566 -6.161 108 HE2 TYR 15 HE1 TYR 15 31.369 14.861 -9.528 109 HH TYR 15 HH TYR 15 34.206 15.489 -8.728 110 H ASP 16 H ASP 16 27.530 19.211 -4.471 111 HA ASP 16 HA ASP 16 24.699 19.029 -4.449 112 HB2 ASP 16 HB2 ASP 16 25.771 20.194 -2.656 113 HB3 ASP 16 HB3 ASP 16 26.591 21.282 -3.772 114 H TYR 17 H TYR 17 23.723 19.030 -6.407 115 HA TYR 17 HA TYR 17 24.493 20.942 -8.446 116 HB2 TYR 17 HB2 TYR 17 23.946 18.747 -9.231 117 HB3 TYR 17 HB3 TYR 17 22.414 18.753 -8.366 118 HD1 TYR 17 HD1 TYR 17 24.238 20.520 -11.093 119 HD2 TYR 17 HD2 TYR 17 20.467 19.416 -9.461 120 HE1 TYR 17 HE1 TYR 17 23.119 21.401 -13.098 121 HE2 TYR 17 HE2 TYR 17 19.338 20.293 -11.462 122 HH TYR 17 HH TYR 17 20.864 22.272 -13.714 123 H GLN 18 H GLN 18 23.157 22.555 -9.294 124 HA GLN 18 HA GLN 18 20.731 23.201 -7.778 125 HB2 GLN 18 HB2 GLN 18 23.164 24.900 -8.118 126 HB3 GLN 18 HB3 GLN 18 21.588 25.678 -8.078 127 HG2 GLN 18 HG2 GLN 18 21.187 24.446 -5.906 128 HG3 GLN 18 HG3 GLN 18 22.902 24.039 -5.936 129 HE21 GLN 18 HE21 GLN 18 20.747 26.107 -4.670 130 HE22 GLN 18 HE22 GLN 18 21.758 27.482 -4.402 131 H THR 19 H THR 19 19.074 23.614 -9.076 132 HA THR 19 HA THR 19 19.564 23.987 -11.924 133 HB THR 19 HB THR 19 17.915 22.320 -11.389 134 HG1 THR 19 HG1 THR 19 17.494 23.772 -13.193 135 HG21 THR 19 HG21 THR 19 15.699 23.347 -10.339 136 HG22 THR 19 HG22 THR 19 16.863 24.443 -9.594 137 HG23 THR 19 HG23 THR 19 16.996 22.704 -9.332 138 H ASN 20 H ASN 20 18.276 25.587 -13.131 139 HA ASN 20 HA ASN 20 18.240 28.130 -11.688 140 HB2 ASN 20 HB2 ASN 20 19.530 27.898 -13.828 141 HB3 ASN 20 HB3 ASN 20 17.999 27.659 -14.666 142 HD21 ASN 20 HD21 ASN 20 16.832 29.383 -15.249 143 HD22 ASN 20 HD22 ASN 20 17.233 31.020 -14.865 144 H ASP 21 H ASP 21 16.138 25.839 -13.202 145 HA ASP 21 HA ASP 21 13.854 27.625 -12.675 146 HB2 ASP 21 HB2 ASP 21 14.449 25.877 -15.020 147 HB3 ASP 21 HB3 ASP 21 12.769 26.054 -14.518 148 HA PRO 22 HA PRO 22 12.102 24.533 -10.107 149 HB2 PRO 22 HB2 PRO 22 9.459 24.705 -10.701 150 HB3 PRO 22 HB3 PRO 22 10.320 25.946 -9.782 151 HG2 PRO 22 HG2 PRO 22 9.589 25.904 -12.685 152 HG3 PRO 22 HG3 PRO 22 9.482 27.240 -11.523 153 HD2 PRO 22 HD2 PRO 22 11.506 27.021 -13.309 154 HD3 PRO 22 HD3 PRO 22 11.725 27.740 -11.701 155 H GLN 23 H GLN 23 11.744 24.303 -13.523 156 HA GLN 23 HA GLN 23 10.267 21.944 -13.773 157 HB2 GLN 23 HB2 GLN 23 11.195 23.636 -15.563 158 HB3 GLN 23 HB3 GLN 23 12.542 22.508 -15.630 159 HG2 GLN 23 HG2 GLN 23 10.864 22.061 -17.352 160 HG3 GLN 23 HG3 GLN 23 11.059 20.707 -16.239 161 HE21 GLN 23 HE21 GLN 23 9.203 19.769 -15.824 162 HE22 GLN 23 HE22 GLN 23 7.680 20.557 -15.619 163 H GLU 24 H GLU 24 13.681 22.474 -13.120 164 HA GLU 24 HA GLU 24 14.091 19.567 -12.983 165 HB2 GLU 24 HB2 GLU 24 16.287 21.617 -12.882 166 HB3 GLU 24 HB3 GLU 24 16.387 19.922 -13.341 167 HG2 GLU 24 HG2 GLU 24 14.654 20.906 -15.201 168 HG3 GLU 24 HG3 GLU 24 15.739 22.272 -14.947 169 H LEU 25 H LEU 25 15.527 18.791 -11.228 170 HA LEU 25 HA LEU 25 14.901 20.204 -8.727 171 HB2 LEU 25 HB2 LEU 25 14.715 17.475 -9.531 172 HB3 LEU 25 HB3 LEU 25 15.881 17.597 -8.215 173 HG LEU 25 HG LEU 25 14.223 18.558 -6.762 174 HD11 LEU 25 HD11 LEU 25 12.731 19.881 -7.792 175 HD12 LEU 25 HD12 LEU 25 11.784 18.400 -7.932 176 HD13 LEU 25 HD13 LEU 25 12.774 18.945 -9.286 177 HD21 LEU 25 HD21 LEU 25 12.415 16.530 -7.602 178 HD22 LEU 25 HD22 LEU 25 13.574 16.495 -6.273 179 HD23 LEU 25 HD23 LEU 25 14.061 15.962 -7.882 180 H ALA 26 H ALA 26 16.554 19.719 -6.935 181 HA ALA 26 HA ALA 26 19.248 20.149 -8.046 182 HB1 ALA 26 HB1 ALA 26 19.316 20.982 -5.404 183 HB2 ALA 26 HB2 ALA 26 19.206 22.014 -6.831 184 HB3 ALA 26 HB3 ALA 26 17.740 21.517 -5.987 185 H LEU 27 H LEU 27 21.031 19.149 -7.050 186 HA LEU 27 HA LEU 27 20.334 16.708 -5.574 187 HB2 LEU 27 HB2 LEU 27 22.896 17.357 -7.019 188 HB3 LEU 27 HB3 LEU 27 22.431 15.799 -6.339 189 HG LEU 27 HG LEU 27 20.837 17.071 -8.540 190 HD11 LEU 27 HD11 LEU 27 22.340 15.223 -9.825 191 HD12 LEU 27 HD12 LEU 27 23.517 15.883 -8.690 192 HD13 LEU 27 HD13 LEU 27 22.680 16.953 -9.815 193 HD21 LEU 27 HD21 LEU 27 19.785 15.229 -7.402 194 HD22 LEU 27 HD22 LEU 27 21.235 14.240 -7.580 195 HD23 LEU 27 HD23 LEU 27 20.299 14.698 -9.004 196 H ARG 28 H ARG 28 21.812 15.984 -3.883 197 HA ARG 28 HA ARG 28 23.252 18.186 -2.567 198 HB2 ARG 28 HB2 ARG 28 21.022 17.803 -1.511 199 HB3 ARG 28 HB3 ARG 28 21.522 16.157 -1.145 200 HG2 ARG 28 HG2 ARG 28 21.766 17.558 0.804 201 HG3 ARG 28 HG3 ARG 28 23.352 17.034 0.235 202 HD2 ARG 28 HD2 ARG 28 23.855 19.147 -0.651 203 HD3 ARG 28 HD3 ARG 28 22.169 19.663 -0.600 204 HE ARG 28 HE ARG 28 23.140 19.097 2.006 205 HH11 ARG 28 HH11 ARG 28 23.263 21.475 -0.534 206 HH12 ARG 28 HH12 ARG 28 23.576 22.797 0.541 207 HH21 ARG 28 HH21 ARG 28 23.552 20.829 3.432 208 HH22 ARG 28 HH22 ARG 28 23.741 22.429 2.797 209 H ARG 29 H ARG 29 25.273 17.691 -2.022 210 HA ARG 29 HA ARG 29 26.553 15.354 -2.724 211 HB2 ARG 29 HB2 ARG 29 27.381 17.734 -1.762 212 HB3 ARG 29 HB3 ARG 29 27.621 16.737 -0.333 213 HG2 ARG 29 HG2 ARG 29 28.862 15.143 -1.946 214 HG3 ARG 29 HG3 ARG 29 28.938 16.551 -3.008 215 HD2 ARG 29 HD2 ARG 29 29.681 17.413 -0.423 216 HD3 ARG 29 HD3 ARG 29 30.554 15.914 -0.740 217 HE ARG 29 HE ARG 29 31.798 17.010 -2.321 218 HH11 ARG 29 HH11 ARG 29 29.014 18.937 -1.509 219 HH12 ARG 29 HH12 ARG 29 29.552 20.323 -2.399 220 HH21 ARG 29 HH21 ARG 29 32.516 18.829 -3.496 221 HH22 ARG 29 HH22 ARG 29 31.544 20.260 -3.529 222 H ASN 30 H ASN 30 26.890 13.400 -1.821 223 HA ASN 30 HA ASN 30 26.677 11.620 -0.421 224 HB2 ASN 30 HB2 ASN 30 26.294 13.531 1.873 225 HB3 ASN 30 HB3 ASN 30 27.039 11.935 1.887 226 HD21 ASN 30 HD21 ASN 30 27.827 14.900 2.446 227 HD22 ASN 30 HD22 ASN 30 29.401 15.004 1.740 228 H GLU 31 H GLU 31 24.419 12.261 -1.761 229 HA GLU 31 HA GLU 31 22.341 11.539 0.175 230 HB2 GLU 31 HB2 GLU 31 22.420 14.069 -0.641 231 HB3 GLU 31 HB3 GLU 31 21.581 13.393 -2.030 232 HG2 GLU 31 HG2 GLU 31 19.879 14.106 -0.617 233 HG3 GLU 31 HG3 GLU 31 19.970 12.367 -0.345 234 H GLU 32 H GLU 32 20.464 10.516 -0.806 235 HA GLU 32 HA GLU 32 21.173 9.139 -3.310 236 HB2 GLU 32 HB2 GLU 32 19.853 8.236 -0.803 237 HB3 GLU 32 HB3 GLU 32 19.292 7.527 -2.310 238 HG2 GLU 32 HG2 GLU 32 21.259 6.437 -2.697 239 HG3 GLU 32 HG3 GLU 32 22.215 7.610 -1.794 240 H TYR 33 H TYR 33 19.460 8.632 -4.790 241 HA TYR 33 HA TYR 33 16.964 10.111 -4.459 242 HB2 TYR 33 HB2 TYR 33 18.885 10.509 -6.757 243 HB3 TYR 33 HB3 TYR 33 17.203 11.026 -6.795 244 HD1 TYR 33 HD1 TYR 33 16.433 12.856 -5.339 245 HD2 TYR 33 HD2 TYR 33 20.530 11.720 -5.494 246 HE1 TYR 33 HE1 TYR 33 17.056 14.978 -4.262 247 HE2 TYR 33 HE2 TYR 33 21.165 13.837 -4.417 248 HH TYR 33 HH TYR 33 18.745 16.077 -3.198 249 H CYS 34 H CYS 34 15.278 8.956 -5.130 250 HA CYS 34 HA CYS 34 15.631 6.350 -6.209 251 HB2 CYS 34 HB2 CYS 34 13.319 8.047 -5.418 252 HB3 CYS 34 HB3 CYS 34 12.998 6.713 -6.519 253 HG CYS 34 HG CYS 34 12.347 5.621 -4.150 254 H LEU 35 H LEU 35 16.355 6.125 -8.236 255 HA LEU 35 HA LEU 35 15.947 7.941 -10.337 256 HB2 LEU 35 HB2 LEU 35 17.601 5.900 -10.000 257 HB3 LEU 35 HB3 LEU 35 16.366 5.059 -10.935 258 HG LEU 35 HG LEU 35 18.203 5.845 -12.345 259 HD11 LEU 35 HD11 LEU 35 16.810 6.266 -14.045 260 HD12 LEU 35 HD12 LEU 35 16.098 7.666 -13.245 261 HD13 LEU 35 HD13 LEU 35 15.533 6.044 -12.849 262 HD21 LEU 35 HD21 LEU 35 17.951 8.193 -10.762 263 HD22 LEU 35 HD22 LEU 35 17.658 8.625 -12.447 264 HD23 LEU 35 HD23 LEU 35 19.158 7.815 -11.992 265 H LEU 36 H LEU 36 14.390 8.169 -11.840 266 HA LEU 36 HA LEU 36 12.180 6.220 -11.815 267 HB2 LEU 36 HB2 LEU 36 11.931 9.160 -12.407 268 HB3 LEU 36 HB3 LEU 36 10.626 7.993 -12.206 269 HG LEU 36 HG LEU 36 12.398 8.320 -9.875 270 HD11 LEU 36 HD11 LEU 36 11.445 10.415 -9.173 271 HD12 LEU 36 HD12 LEU 36 10.483 10.515 -10.647 272 HD13 LEU 36 HD13 LEU 36 12.240 10.635 -10.732 273 HD21 LEU 36 HD21 LEU 36 10.627 7.440 -8.863 274 HD22 LEU 36 HD22 LEU 36 9.876 7.272 -10.450 275 HD23 LEU 36 HD23 LEU 36 9.572 8.713 -9.477 276 H ASP 37 H ASP 37 13.787 8.703 -13.793 277 HA ASP 37 HA ASP 37 13.396 6.975 -16.134 278 HB2 ASP 37 HB2 ASP 37 12.049 9.425 -15.701 279 HB3 ASP 37 HB3 ASP 37 13.267 9.730 -16.936 280 H SER 38 H SER 38 15.294 6.532 -17.014 281 HA SER 38 HA SER 38 17.389 8.599 -16.979 282 HB2 SER 38 HB2 SER 38 19.023 6.620 -16.764 283 HB3 SER 38 HB3 SER 38 18.141 7.105 -15.317 284 HG SER 38 HG SER 38 18.202 4.775 -15.860 285 H SER 39 H SER 39 16.969 9.157 -19.116 286 HA SER 39 HA SER 39 17.198 7.071 -21.151 287 HB2 SER 39 HB2 SER 39 16.439 9.994 -21.355 288 HB3 SER 39 HB3 SER 39 16.530 8.891 -22.728 289 HG SER 39 HG SER 39 14.934 8.317 -20.471 290 H GLU 40 H GLU 40 18.733 10.106 -20.163 291 HA GLU 40 HA GLU 40 21.281 9.220 -21.121 292 HB2 GLU 40 HB2 GLU 40 19.953 10.159 -23.157 293 HB3 GLU 40 HB3 GLU 40 20.296 11.727 -22.440 294 HG2 GLU 40 HG2 GLU 40 22.558 11.561 -22.819 295 HG3 GLU 40 HG3 GLU 40 22.524 9.800 -22.890 296 H ILE 41 H ILE 41 22.997 10.817 -20.682 297 HA ILE 41 HA ILE 41 22.830 11.870 -18.118 298 HB ILE 41 HB ILE 41 24.971 11.386 -19.157 299 HG12 ILE 41 HG12 ILE 41 24.752 14.341 -18.543 300 HG13 ILE 41 HG13 ILE 41 24.829 13.072 -17.326 301 HG21 ILE 41 HG21 ILE 41 24.571 13.818 -20.886 302 HG22 ILE 41 HG22 ILE 41 25.898 12.659 -20.941 303 HG23 ILE 41 HG23 ILE 41 24.278 12.169 -21.439 304 HD11 ILE 41 HD11 ILE 41 26.982 13.266 -19.374 305 HD12 ILE 41 HD12 ILE 41 26.970 14.376 -18.004 306 HD13 ILE 41 HD13 ILE 41 27.045 12.636 -17.728 307 H HIS 42 H HIS 42 21.701 13.168 -21.076 308 HA HIS 42 HA HIS 42 21.863 15.906 -20.691 309 HB2 HIS 42 HB2 HIS 42 19.757 14.211 -22.028 310 HB3 HIS 42 HB3 HIS 42 19.692 15.971 -22.039 311 HD1 HIS 42 HD1 HIS 42 22.761 13.804 -22.554 312 HD2 HIS 42 HD2 HIS 42 20.369 16.496 -24.625 313 HE1 HIS 42 HE1 HIS 42 23.924 14.185 -24.751 314 H TRP 43 H TRP 43 19.342 13.666 -19.573 315 HA TRP 43 HA TRP 43 18.786 15.382 -17.318 316 HB2 TRP 43 HB2 TRP 43 16.389 15.624 -17.801 317 HB3 TRP 43 HB3 TRP 43 17.372 16.398 -19.042 318 HD1 TRP 43 HD1 TRP 43 17.214 15.452 -21.497 319 HE1 TRP 43 HE1 TRP 43 15.642 13.761 -22.634 320 HE3 TRP 43 HE3 TRP 43 15.068 13.412 -17.330 321 HZ2 TRP 43 HZ2 TRP 43 13.743 11.818 -21.865 322 HZ3 TRP 43 HZ3 TRP 43 13.383 11.643 -17.617 323 HH2 TRP 43 HH2 TRP 43 12.735 10.864 -19.839 324 H TRP 44 H TRP 44 18.341 14.162 -15.600 325 HA TRP 44 HA TRP 44 17.316 11.437 -16.057 326 HB2 TRP 44 HB2 TRP 44 19.633 12.393 -14.483 327 HB3 TRP 44 HB3 TRP 44 18.636 11.163 -13.712 328 HD1 TRP 44 HD1 TRP 44 19.145 11.094 -17.496 329 HE1 TRP 44 HE1 TRP 44 20.539 9.018 -18.105 330 HE3 TRP 44 HE3 TRP 44 20.407 9.554 -12.787 331 HZ2 TRP 44 HZ2 TRP 44 21.983 6.995 -16.766 332 HZ3 TRP 44 HZ3 TRP 44 21.797 7.539 -12.538 333 HH2 TRP 44 HH2 TRP 44 22.567 6.287 -14.488 334 H ARG 45 H ARG 45 15.354 11.184 -15.238 335 HA ARG 45 HA ARG 45 14.310 13.026 -13.277 336 HB2 ARG 45 HB2 ARG 45 13.235 11.172 -15.210 337 HB3 ARG 45 HB3 ARG 45 12.479 10.926 -13.641 338 HG2 ARG 45 HG2 ARG 45 12.304 13.573 -13.742 339 HG3 ARG 45 HG3 ARG 45 12.340 13.244 -15.475 340 HD2 ARG 45 HD2 ARG 45 10.399 11.914 -15.366 341 HD3 ARG 45 HD3 ARG 45 10.485 11.795 -13.609 342 HE ARG 45 HE ARG 45 10.176 14.443 -14.015 343 HH11 ARG 45 HH11 ARG 45 8.456 11.649 -15.178 344 HH12 ARG 45 HH12 ARG 45 6.937 12.473 -15.299 345 HH21 ARG 45 HH21 ARG 45 8.182 15.539 -14.171 346 HH22 ARG 45 HH22 ARG 45 6.782 14.686 -14.727 347 H VAL 46 H VAL 46 14.546 12.767 -11.165 348 HA VAL 46 HA VAL 46 14.520 10.050 -10.050 349 HB VAL 46 HB VAL 46 16.318 10.548 -8.521 350 HG11 VAL 46 HG11 VAL 46 17.968 10.088 -9.987 351 HG12 VAL 46 HG12 VAL 46 16.642 10.021 -11.149 352 HG13 VAL 46 HG13 VAL 46 17.608 11.489 -10.995 353 HG21 VAL 46 HG21 VAL 46 15.997 12.884 -8.134 354 HG22 VAL 46 HG22 VAL 46 17.624 12.666 -8.778 355 HG23 VAL 46 HG23 VAL 46 16.336 13.266 -9.822 356 H GLN 47 H GLN 47 14.321 10.176 -7.574 357 HA GLN 47 HA GLN 47 12.528 12.393 -6.838 358 HB2 GLN 47 HB2 GLN 47 11.117 10.500 -7.205 359 HB3 GLN 47 HB3 GLN 47 12.194 9.444 -6.301 360 HG2 GLN 47 HG2 GLN 47 11.515 10.281 -4.256 361 HG3 GLN 47 HG3 GLN 47 10.900 11.776 -4.959 362 HE21 GLN 47 HE21 GLN 47 10.351 8.342 -5.665 363 HE22 GLN 47 HE22 GLN 47 8.631 8.411 -5.519 364 H ASP 48 H ASP 48 12.725 13.216 -4.795 365 HA ASP 48 HA ASP 48 15.190 12.665 -3.424 366 HB2 ASP 48 HB2 ASP 48 13.702 14.907 -3.699 367 HB3 ASP 48 HB3 ASP 48 13.160 14.372 -2.111 368 H ARG 49 H ARG 49 14.719 12.900 -0.796 369 HA ARG 49 HA ARG 49 13.363 10.383 -0.183 370 HB2 ARG 49 HB2 ARG 49 14.567 10.462 1.940 371 HB3 ARG 49 HB3 ARG 49 15.677 10.649 0.588 372 HG2 ARG 49 HG2 ARG 49 15.310 13.203 1.039 373 HG3 ARG 49 HG3 ARG 49 14.835 12.631 2.640 374 HD2 ARG 49 HD2 ARG 49 17.360 11.609 1.433 375 HD3 ARG 49 HD3 ARG 49 17.336 13.242 2.099 376 HE ARG 49 HE ARG 49 16.277 11.780 4.096 377 HH11 ARG 49 HH11 ARG 49 19.159 11.413 2.178 378 HH12 ARG 49 HH12 ARG 49 20.054 10.628 3.437 379 HH21 ARG 49 HH21 ARG 49 17.445 10.748 5.761 380 HH22 ARG 49 HH22 ARG 49 19.078 10.250 5.474 381 H ASN 50 H ASN 50 12.190 13.227 -0.576 382 HA ASN 50 HA ASN 50 10.642 13.271 1.932 383 HB2 ASN 50 HB2 ASN 50 11.031 15.616 0.068 384 HB3 ASN 50 HB3 ASN 50 10.365 15.634 1.699 385 HD21 ASN 50 HD21 ASN 50 13.276 15.213 -0.197 386 HD22 ASN 50 HD22 ASN 50 14.386 15.569 1.079 387 H GLY 51 H GLY 51 10.559 13.153 -1.533 388 HA2 GLY 51 HA2 GLY 51 8.542 11.981 -2.403 389 HA3 GLY 51 HA3 GLY 51 7.605 13.099 -1.422 390 H HIS 52 H HIS 52 10.442 14.146 -3.152 391 HA HIS 52 HA HIS 52 8.697 15.581 -5.045 392 HB2 HIS 52 HB2 HIS 52 11.374 16.529 -4.011 393 HB3 HIS 52 HB3 HIS 52 10.247 17.431 -5.020 394 HD1 HIS 52 HD1 HIS 52 11.161 16.851 -1.555 395 HD2 HIS 52 HD2 HIS 52 7.758 18.077 -3.599 396 HE1 HIS 52 HE1 HIS 52 9.688 17.926 0.176 397 H GLU 53 H GLU 53 8.997 15.123 -7.121 398 HA GLU 53 HA GLU 53 11.497 13.778 -7.903 399 HB2 GLU 53 HB2 GLU 53 8.916 13.689 -9.451 400 HB3 GLU 53 HB3 GLU 53 10.304 12.620 -9.587 401 HG2 GLU 53 HG2 GLU 53 9.764 11.969 -7.155 402 HG3 GLU 53 HG3 GLU 53 8.193 12.702 -7.473 403 H GLY 54 H GLY 54 12.702 14.551 -9.571 404 HA2 GLY 54 HA2 GLY 54 11.664 16.580 -11.354 405 HA3 GLY 54 HA3 GLY 54 12.861 17.170 -10.210 406 H TYR 55 H TYR 55 13.770 17.619 -12.507 407 HA TYR 55 HA TYR 55 15.186 15.289 -13.569 408 HB2 TYR 55 HB2 TYR 55 14.879 18.098 -14.646 409 HB3 TYR 55 HB3 TYR 55 15.797 16.822 -15.438 410 HD1 TYR 55 HD1 TYR 55 12.388 17.740 -14.286 411 HD2 TYR 55 HD2 TYR 55 14.728 15.275 -16.845 412 HE1 TYR 55 HE1 TYR 55 10.340 16.978 -15.417 413 HE2 TYR 55 HE2 TYR 55 12.687 14.508 -17.983 414 HH TYR 55 HH TYR 55 9.551 15.919 -17.281 415 H VAL 56 H VAL 56 17.403 15.141 -13.662 416 HA VAL 56 HA VAL 56 19.060 17.306 -12.676 417 HB VAL 56 HB VAL 56 20.189 15.714 -11.025 418 HG11 VAL 56 HG11 VAL 56 19.038 16.682 -9.317 419 HG12 VAL 56 HG12 VAL 56 18.421 17.662 -10.648 420 HG13 VAL 56 HG13 VAL 56 17.464 16.319 -10.024 421 HG21 VAL 56 HG21 VAL 56 18.728 13.984 -10.060 422 HG22 VAL 56 HG22 VAL 56 17.542 14.297 -11.327 423 HG23 VAL 56 HG23 VAL 56 19.129 13.653 -11.746 424 HA PRO 57 HA PRO 57 22.004 15.579 -15.437 425 HB2 PRO 57 HB2 PRO 57 24.337 16.283 -14.240 426 HB3 PRO 57 HB3 PRO 57 23.286 17.447 -15.054 427 HG2 PRO 57 HG2 PRO 57 23.534 16.839 -12.134 428 HG3 PRO 57 HG3 PRO 57 23.399 18.412 -12.942 429 HD2 PRO 57 HD2 PRO 57 21.293 17.204 -11.743 430 HD3 PRO 57 HD3 PRO 57 21.112 18.236 -13.176 431 H SER 58 H SER 58 22.706 13.565 -15.756 432 HA SER 58 HA SER 58 22.901 11.705 -13.601 433 HB2 SER 58 HB2 SER 58 22.109 11.131 -15.912 434 HB3 SER 58 HB3 SER 58 23.772 11.307 -16.472 435 HG SER 58 HG SER 58 23.733 9.224 -15.993 436 H SER 59 H SER 59 25.177 13.596 -15.440 437 HA SER 59 HA SER 59 27.537 12.204 -14.952 438 HB2 SER 59 HB2 SER 59 26.819 14.705 -16.046 439 HB3 SER 59 HB3 SER 59 28.016 15.039 -14.795 440 HG SER 59 HG SER 59 29.469 13.766 -15.835 441 H TYR 60 H TYR 60 25.559 14.039 -12.812 442 HA TYR 60 HA TYR 60 27.664 14.012 -10.758 443 HB2 TYR 60 HB2 TYR 60 25.095 15.606 -10.874 444 HB3 TYR 60 HB3 TYR 60 26.273 15.674 -9.568 445 HD1 TYR 60 HD2 TYR 60 26.064 16.116 -13.272 446 HD2 TYR 60 HD1 TYR 60 27.892 17.325 -9.625 447 HE1 TYR 60 HE2 TYR 60 27.285 17.880 -14.475 448 HE2 TYR 60 HE1 TYR 60 29.118 19.093 -10.817 449 HH TYR 60 HH TYR 60 29.208 20.273 -12.771 450 H LEU 61 H LEU 61 25.855 11.776 -11.654 451 HA LEU 61 HA LEU 61 24.928 11.043 -8.973 452 HB2 LEU 61 HB2 LEU 61 23.323 11.033 -11.500 453 HB3 LEU 61 HB3 LEU 61 22.961 9.897 -10.201 454 HG LEU 61 HG LEU 61 23.042 12.861 -9.723 455 HD11 LEU 61 HD11 LEU 61 21.467 12.545 -11.521 456 HD12 LEU 61 HD12 LEU 61 20.593 12.852 -10.021 457 HD13 LEU 61 HD13 LEU 61 20.699 11.212 -10.658 458 HD21 LEU 61 HD21 LEU 61 21.123 11.630 -8.147 459 HD22 LEU 61 HD22 LEU 61 22.734 12.140 -7.640 460 HD23 LEU 61 HD23 LEU 61 22.461 10.481 -8.177 461 H VAL 62 H VAL 62 25.419 9.005 -8.402 462 HA VAL 62 HA VAL 62 26.547 7.253 -10.485 463 HB VAL 62 HB VAL 62 28.110 8.043 -8.668 464 HG11 VAL 62 HG11 VAL 62 27.007 6.031 -6.813 465 HG12 VAL 62 HG12 VAL 62 27.794 7.576 -6.480 466 HG13 VAL 62 HG13 VAL 62 26.097 7.534 -6.962 467 HG21 VAL 62 HG21 VAL 62 28.897 5.625 -8.173 468 HG22 VAL 62 HG22 VAL 62 27.580 5.153 -9.248 469 HG23 VAL 62 HG23 VAL 62 28.875 6.193 -9.843 470 H GLU 63 H GLU 63 25.796 5.210 -10.714 471 HA GLU 63 HA GLU 63 23.251 4.545 -9.728 472 HB2 GLU 63 HB2 GLU 63 25.009 3.536 -11.655 473 HB3 GLU 63 HB3 GLU 63 24.775 2.213 -10.522 474 HG2 GLU 63 HG2 GLU 63 22.248 2.834 -10.790 475 HG3 GLU 63 HG3 GLU 63 22.804 3.561 -12.296 476 H LYS 64 H LYS 64 22.737 4.006 -7.722 477 HA LYS 64 HA LYS 64 24.676 3.104 -5.824 478 HB2 LYS 64 HB2 LYS 64 22.650 4.533 -5.315 479 HB3 LYS 64 HB3 LYS 64 21.674 3.082 -5.506 480 HG2 LYS 64 HG2 LYS 64 23.969 2.962 -3.632 481 HG3 LYS 64 HG3 LYS 64 22.549 3.891 -3.147 482 HD2 LYS 64 HD2 LYS 64 21.151 1.890 -3.645 483 HD3 LYS 64 HD3 LYS 64 22.636 0.983 -3.944 484 HE2 LYS 64 HE2 LYS 64 22.313 0.454 -1.750 485 HE3 LYS 64 HE3 LYS 64 23.260 1.928 -1.552 486 HZ1 LYS 64 HZ1 LYS 64 21.510 3.046 -0.730 487 HZ2 LYS 64 HZ2 LYS 64 20.928 1.505 -0.350 488 HZ3 LYS 64 HZ3 LYS 64 20.387 2.292 -1.746 489 H SER 65 H SER 65 25.509 1.125 -6.262 490 HA SER 65 HA SER 65 23.597 -1.115 -6.396 491 HB2 SER 65 HB2 SER 65 25.707 -2.224 -7.594 492 HB3 SER 65 HB3 SER 65 24.510 -1.295 -8.496 493 HG SER 65 HG SER 65 27.115 -0.814 -8.218 494 HA PRO 66 HA PRO 66 25.580 -2.956 -2.944 495 HB2 PRO 66 HB2 PRO 66 25.571 -5.591 -3.598 496 HB3 PRO 66 HB3 PRO 66 24.107 -4.707 -3.151 497 HG2 PRO 66 HG2 PRO 66 25.134 -5.420 -5.871 498 HG3 PRO 66 HG3 PRO 66 23.478 -5.504 -5.243 499 HD2 PRO 66 HD2 PRO 66 24.339 -3.475 -6.816 500 HD3 PRO 66 HD3 PRO 66 23.113 -3.249 -5.552 Start of MODEL 9 1 H1 GLY 1 H GLY 1 6.117 -1.128 4.268 2 HA2 GLY 1 HA2 GLY 1 5.705 1.697 4.104 3 HA3 GLY 1 HA3 GLY 1 7.156 1.204 3.242 4 HA PRO 2 HA PRO 2 3.482 0.876 0.394 5 HB2 PRO 2 HB2 PRO 2 4.595 2.317 -1.620 6 HB3 PRO 2 HB3 PRO 2 3.681 3.057 -0.300 7 HG2 PRO 2 HG2 PRO 2 6.644 2.813 -0.650 8 HG3 PRO 2 HG3 PRO 2 5.694 4.203 -0.093 9 HD2 PRO 2 HD2 PRO 2 7.013 2.564 1.611 10 HD3 PRO 2 HD3 PRO 2 5.491 3.368 2.046 11 H LEU 3 H LEU 3 3.371 -0.927 -0.776 12 HA LEU 3 HA LEU 3 5.839 -1.964 -2.003 13 HB2 LEU 3 HB2 LEU 3 3.384 -3.585 -1.409 14 HB3 LEU 3 HB3 LEU 3 5.022 -4.152 -1.728 15 HG LEU 3 HG LEU 3 4.165 -2.675 0.760 16 HD11 LEU 3 HD11 LEU 3 3.866 -4.658 1.841 17 HD12 LEU 3 HD12 LEU 3 4.956 -5.537 0.771 18 HD13 LEU 3 HD13 LEU 3 3.330 -5.125 0.227 19 HD21 LEU 3 HD21 LEU 3 6.486 -2.313 0.318 20 HD22 LEU 3 HD22 LEU 3 6.739 -4.021 -0.045 21 HD23 LEU 3 HD23 LEU 3 6.359 -3.515 1.602 22 H GLY 4 H GLY 4 5.642 -0.840 -3.955 23 HA2 GLY 4 HA2 GLY 4 4.829 -1.839 -6.196 24 HA3 GLY 4 HA3 GLY 4 3.246 -1.414 -5.562 25 H SER 5 H SER 5 6.434 0.029 -6.212 26 HA SER 5 HA SER 5 5.053 2.376 -7.303 27 HB2 SER 5 HB2 SER 5 6.908 2.300 -4.999 28 HB3 SER 5 HB3 SER 5 7.210 3.574 -6.181 29 HG SER 5 HG SER 5 5.037 4.228 -5.916 30 HA PRO 6 HA PRO 6 7.932 2.189 -10.606 31 HB2 PRO 6 HB2 PRO 6 8.387 4.812 -11.138 32 HB3 PRO 6 HB3 PRO 6 6.861 4.005 -11.518 33 HG2 PRO 6 HG2 PRO 6 7.552 5.750 -9.186 34 HG3 PRO 6 HG3 PRO 6 6.081 5.737 -10.176 35 HD2 PRO 6 HD2 PRO 6 6.208 4.559 -7.741 36 HD3 PRO 6 HD3 PRO 6 5.189 3.932 -9.053 37 H GLU 7 H GLU 7 9.569 1.278 -9.066 38 HA GLU 7 HA GLU 7 11.901 3.048 -8.994 39 HB2 GLU 7 HB2 GLU 7 12.497 2.144 -6.738 40 HB3 GLU 7 HB3 GLU 7 11.078 3.182 -6.749 41 HG2 GLU 7 HG2 GLU 7 9.721 1.026 -6.904 42 HG3 GLU 7 HG3 GLU 7 11.214 0.204 -6.454 43 H GLU 8 H GLU 8 13.281 2.072 -10.324 44 HA GLU 8 HA GLU 8 13.611 -0.848 -10.094 45 HB2 GLU 8 HB2 GLU 8 14.355 -0.826 -12.447 46 HB3 GLU 8 HB3 GLU 8 12.701 -0.259 -12.264 47 HG2 GLU 8 HG2 GLU 8 13.858 2.095 -12.183 48 HG3 GLU 8 HG3 GLU 8 15.149 1.243 -13.029 49 H THR 9 H THR 9 15.257 2.233 -10.630 50 HA THR 9 HA THR 9 17.697 1.046 -9.513 51 HB THR 9 HB THR 9 17.727 2.890 -11.907 52 HG1 THR 9 HG1 THR 9 18.318 0.105 -11.857 53 HG21 THR 9 HG21 THR 9 19.782 3.202 -10.926 54 HG22 THR 9 HG22 THR 9 20.128 1.799 -11.937 55 HG23 THR 9 HG23 THR 9 19.809 1.589 -10.216 56 H VAL 10 H VAL 10 19.078 2.509 -8.440 57 HA VAL 10 HA VAL 10 17.874 5.140 -7.874 58 HB VAL 10 HB VAL 10 19.502 3.548 -5.898 59 HG11 VAL 10 HG11 VAL 10 18.159 5.136 -4.345 60 HG12 VAL 10 HG12 VAL 10 19.558 5.761 -5.220 61 HG13 VAL 10 HG13 VAL 10 17.929 6.089 -5.810 62 HG21 VAL 10 HG21 VAL 10 17.732 2.176 -5.772 63 HG22 VAL 10 HG22 VAL 10 16.953 3.512 -4.925 64 HG23 VAL 10 HG23 VAL 10 16.684 3.288 -6.653 65 H VAL 11 H VAL 11 19.327 6.858 -7.386 66 HA VAL 11 HA VAL 11 22.110 6.390 -8.230 67 HB VAL 11 HB VAL 11 22.082 8.655 -9.280 68 HG11 VAL 11 HG11 VAL 11 21.874 6.605 -10.613 69 HG12 VAL 11 HG12 VAL 11 20.119 6.685 -10.449 70 HG13 VAL 11 HG13 VAL 11 20.982 7.947 -11.329 71 HG21 VAL 11 HG21 VAL 11 19.119 8.558 -9.432 72 HG22 VAL 11 HG22 VAL 11 19.846 9.147 -7.938 73 HG23 VAL 11 HG23 VAL 11 20.210 9.943 -9.469 74 H ILE 12 H ILE 12 23.689 7.664 -7.244 75 HA ILE 12 HA ILE 12 22.793 9.025 -4.793 76 HB ILE 12 HB ILE 12 25.620 8.139 -5.233 77 HG12 ILE 12 HG12 ILE 12 23.341 6.410 -4.248 78 HG13 ILE 12 HG13 ILE 12 24.283 6.160 -5.714 79 HG21 ILE 12 HG21 ILE 12 24.883 9.624 -3.324 80 HG22 ILE 12 HG22 ILE 12 24.000 8.230 -2.702 81 HG23 ILE 12 HG23 ILE 12 25.753 8.158 -2.874 82 HD11 ILE 12 HD11 ILE 12 25.068 5.740 -2.867 83 HD12 ILE 12 HD12 ILE 12 25.212 4.649 -4.246 84 HD13 ILE 12 HD13 ILE 12 26.297 6.031 -4.097 85 H ALA 13 H ALA 13 23.291 11.112 -4.446 86 HA ALA 13 HA ALA 13 24.317 12.670 -6.617 87 HB1 ALA 13 HB1 ALA 13 22.795 13.952 -5.555 88 HB2 ALA 13 HB2 ALA 13 23.100 13.206 -3.986 89 HB3 ALA 13 HB3 ALA 13 24.194 14.445 -4.601 90 H LEU 14 H LEU 14 26.337 13.342 -6.969 91 HA LEU 14 HA LEU 14 28.408 12.585 -5.071 92 HB2 LEU 14 HB2 LEU 14 28.898 13.937 -7.696 93 HB3 LEU 14 HB3 LEU 14 29.940 12.827 -6.808 94 HG LEU 14 HG LEU 14 27.467 12.135 -8.387 95 HD11 LEU 14 HD11 LEU 14 28.873 11.142 -9.932 96 HD12 LEU 14 HD12 LEU 14 30.221 11.046 -8.800 97 HD13 LEU 14 HD13 LEU 14 29.760 12.602 -9.491 98 HD21 LEU 14 HD21 LEU 14 28.627 9.768 -7.719 99 HD22 LEU 14 HD22 LEU 14 27.238 10.475 -6.894 100 HD23 LEU 14 HD23 LEU 14 28.862 10.703 -6.242 101 H TYR 15 H TYR 15 26.903 15.449 -6.395 102 HA TYR 15 HA TYR 15 28.229 17.057 -4.359 103 HB2 TYR 15 HB2 TYR 15 28.213 17.975 -7.234 104 HB3 TYR 15 HB3 TYR 15 29.021 18.732 -5.866 105 HD1 TYR 15 HD2 TYR 15 31.034 17.659 -4.876 106 HD2 TYR 15 HD1 TYR 15 29.236 16.195 -8.444 107 HE1 TYR 15 HE2 TYR 15 33.086 16.404 -5.388 108 HE2 TYR 15 HE1 TYR 15 31.283 14.935 -8.965 109 HH TYR 15 HH TYR 15 33.394 14.529 -8.384 110 H ASP 16 H ASP 16 27.159 19.048 -3.914 111 HA ASP 16 HA ASP 16 24.342 18.893 -4.077 112 HB2 ASP 16 HB2 ASP 16 24.479 21.290 -3.185 113 HB3 ASP 16 HB3 ASP 16 25.208 20.025 -2.198 114 H TYR 17 H TYR 17 23.451 18.958 -6.070 115 HA TYR 17 HA TYR 17 24.334 20.922 -8.018 116 HB2 TYR 17 HB2 TYR 17 23.853 18.731 -8.877 117 HB3 TYR 17 HB3 TYR 17 22.260 18.727 -8.127 118 HD1 TYR 17 HD1 TYR 17 24.268 20.667 -10.608 119 HD2 TYR 17 HD2 TYR 17 20.422 19.294 -9.415 120 HE1 TYR 17 HE1 TYR 17 23.303 21.596 -12.671 121 HE2 TYR 17 HE2 TYR 17 19.447 20.218 -11.475 122 HH TYR 17 HH TYR 17 20.196 20.829 -13.754 123 H GLN 18 H GLN 18 23.024 22.539 -8.905 124 HA GLN 18 HA GLN 18 20.489 23.105 -7.555 125 HB2 GLN 18 HB2 GLN 18 22.929 24.828 -7.560 126 HB3 GLN 18 HB3 GLN 18 21.350 25.600 -7.625 127 HG2 GLN 18 HG2 GLN 18 20.706 24.479 -5.560 128 HG3 GLN 18 HG3 GLN 18 22.277 23.681 -5.499 129 HE21 GLN 18 HE21 GLN 18 23.684 24.593 -4.201 130 HE22 GLN 18 HE22 GLN 18 23.745 26.265 -3.769 131 H THR 19 H THR 19 18.961 23.547 -8.991 132 HA THR 19 HA THR 19 19.703 24.095 -11.749 133 HB THR 19 HB THR 19 18.006 22.417 -11.450 134 HG1 THR 19 HG1 THR 19 17.694 23.780 -13.249 135 HG21 THR 19 HG21 THR 19 16.829 24.441 -9.630 136 HG22 THR 19 HG22 THR 19 16.881 22.684 -9.487 137 HG23 THR 19 HG23 THR 19 15.708 23.447 -10.559 138 H ASN 20 H ASN 20 18.538 25.768 -12.980 139 HA ASN 20 HA ASN 20 18.398 28.236 -11.422 140 HB2 ASN 20 HB2 ASN 20 19.783 27.923 -13.590 141 HB3 ASN 20 HB3 ASN 20 18.239 28.078 -14.421 142 HD21 ASN 20 HD21 ASN 20 17.277 30.045 -14.581 143 HD22 ASN 20 HD22 ASN 20 18.010 31.516 -14.046 144 H ASP 21 H ASP 21 16.400 26.049 -13.215 145 HA ASP 21 HA ASP 21 14.096 27.836 -12.779 146 HB2 ASP 21 HB2 ASP 21 14.863 26.177 -15.131 147 HB3 ASP 21 HB3 ASP 21 13.150 26.300 -14.742 148 HA PRO 22 HA PRO 22 12.133 24.693 -10.435 149 HB2 PRO 22 HB2 PRO 22 9.542 24.915 -11.212 150 HB3 PRO 22 HB3 PRO 22 10.347 26.118 -10.197 151 HG2 PRO 22 HG2 PRO 22 9.827 26.169 -13.145 152 HG3 PRO 22 HG3 PRO 22 9.650 27.472 -11.955 153 HD2 PRO 22 HD2 PRO 22 11.795 27.280 -13.596 154 HD3 PRO 22 HD3 PRO 22 11.905 27.950 -11.956 155 H GLN 23 H GLN 23 12.011 24.569 -13.875 156 HA GLN 23 HA GLN 23 10.535 22.236 -14.300 157 HB2 GLN 23 HB2 GLN 23 11.593 23.964 -15.972 158 HB3 GLN 23 HB3 GLN 23 12.945 22.838 -15.968 159 HG2 GLN 23 HG2 GLN 23 11.803 21.956 -17.697 160 HG3 GLN 23 HG3 GLN 23 10.973 21.102 -16.397 161 HE21 GLN 23 HE21 GLN 23 9.974 21.710 -19.020 162 HE22 GLN 23 HE22 GLN 23 8.572 22.697 -18.809 163 H GLU 24 H GLU 24 13.966 22.688 -13.567 164 HA GLU 24 HA GLU 24 14.325 19.783 -13.453 165 HB2 GLU 24 HB2 GLU 24 16.526 21.778 -13.039 166 HB3 GLU 24 HB3 GLU 24 16.626 20.132 -13.649 167 HG2 GLU 24 HG2 GLU 24 15.522 22.529 -15.094 168 HG3 GLU 24 HG3 GLU 24 17.028 21.681 -15.438 169 H LEU 25 H LEU 25 15.583 18.896 -11.629 170 HA LEU 25 HA LEU 25 14.759 20.180 -9.118 171 HB2 LEU 25 HB2 LEU 25 14.653 17.501 -10.078 172 HB3 LEU 25 HB3 LEU 25 15.717 17.549 -8.674 173 HG LEU 25 HG LEU 25 13.950 18.426 -7.298 174 HD11 LEU 25 HD11 LEU 25 12.544 19.809 -8.375 175 HD12 LEU 25 HD12 LEU 25 11.605 18.340 -8.636 176 HD13 LEU 25 HD13 LEU 25 12.681 18.934 -9.901 177 HD21 LEU 25 HD21 LEU 25 13.845 15.901 -8.623 178 HD22 LEU 25 HD22 LEU 25 12.200 16.461 -8.321 179 HD23 LEU 25 HD23 LEU 25 13.342 16.316 -6.984 180 H ALA 26 H ALA 26 16.261 19.602 -7.223 181 HA ALA 26 HA ALA 26 19.038 20.085 -8.081 182 HB1 ALA 26 HB1 ALA 26 18.905 20.828 -5.427 183 HB2 ALA 26 HB2 ALA 26 18.861 21.913 -6.818 184 HB3 ALA 26 HB3 ALA 26 17.356 21.358 -6.085 185 H LEU 27 H LEU 27 20.731 19.052 -6.963 186 HA LEU 27 HA LEU 27 19.914 16.554 -5.652 187 HB2 LEU 27 HB2 LEU 27 22.600 17.253 -6.821 188 HB3 LEU 27 HB3 LEU 27 22.062 15.668 -6.268 189 HG LEU 27 HG LEU 27 20.675 17.053 -8.537 190 HD11 LEU 27 HD11 LEU 27 22.260 16.559 -10.049 191 HD12 LEU 27 HD12 LEU 27 22.726 15.069 -9.230 192 HD13 LEU 27 HD13 LEU 27 23.345 16.619 -8.659 193 HD21 LEU 27 HD21 LEU 27 20.791 14.334 -7.360 194 HD22 LEU 27 HD22 LEU 27 20.605 14.458 -9.109 195 HD23 LEU 27 HD23 LEU 27 19.426 15.219 -8.041 196 H ARG 28 H ARG 28 21.446 15.736 -3.956 197 HA ARG 28 HA ARG 28 22.661 17.905 -2.396 198 HB2 ARG 28 HB2 ARG 28 20.647 15.884 -1.421 199 HB3 ARG 28 HB3 ARG 28 21.721 16.746 -0.326 200 HG2 ARG 28 HG2 ARG 28 19.866 18.136 -2.239 201 HG3 ARG 28 HG3 ARG 28 19.419 17.710 -0.586 202 HD2 ARG 28 HD2 ARG 28 21.925 19.252 -1.099 203 HD3 ARG 28 HD3 ARG 28 20.369 20.081 -1.120 204 HE ARG 28 HE ARG 28 21.783 19.152 1.174 205 HH11 ARG 28 HH11 ARG 28 18.597 19.699 -0.120 206 HH12 ARG 28 HH12 ARG 28 17.861 19.914 1.434 207 HH21 ARG 28 HH21 ARG 28 20.826 19.433 3.225 208 HH22 ARG 28 HH22 ARG 28 19.130 19.764 3.336 209 H ARG 29 H ARG 29 24.661 17.427 -1.773 210 HA ARG 29 HA ARG 29 26.027 15.140 -2.476 211 HB2 ARG 29 HB2 ARG 29 26.848 17.451 -1.536 212 HB3 ARG 29 HB3 ARG 29 26.817 16.610 0.008 213 HG2 ARG 29 HG2 ARG 29 28.245 15.413 -2.327 214 HG3 ARG 29 HG3 ARG 29 29.006 16.682 -1.365 215 HD2 ARG 29 HD2 ARG 29 28.269 15.157 0.641 216 HD3 ARG 29 HD3 ARG 29 28.252 13.901 -0.596 217 HE ARG 29 HE ARG 29 30.670 15.137 -0.898 218 HH11 ARG 29 HH11 ARG 29 29.007 13.567 1.727 219 HH12 ARG 29 HH12 ARG 29 30.462 13.026 2.497 220 HH21 ARG 29 HH21 ARG 29 32.592 14.431 0.107 221 HH22 ARG 29 HH22 ARG 29 32.500 13.519 1.575 222 H ASN 30 H ASN 30 26.361 13.165 -1.615 223 HA ASN 30 HA ASN 30 26.108 11.335 -0.288 224 HB2 ASN 30 HB2 ASN 30 27.116 13.069 1.383 225 HB3 ASN 30 HB3 ASN 30 25.493 13.094 2.065 226 HD21 ASN 30 HD21 ASN 30 27.562 12.297 3.606 227 HD22 ASN 30 HD22 ASN 30 27.475 10.596 3.897 228 H GLU 31 H GLU 31 23.924 11.969 -1.751 229 HA GLU 31 HA GLU 31 21.745 11.129 0.021 230 HB2 GLU 31 HB2 GLU 31 21.755 13.668 -0.602 231 HB3 GLU 31 HB3 GLU 31 21.179 13.102 -2.163 232 HG2 GLU 31 HG2 GLU 31 19.177 12.350 -1.305 233 HG3 GLU 31 HG3 GLU 31 19.812 12.209 0.333 234 H GLU 32 H GLU 32 19.824 10.352 -1.294 235 HA GLU 32 HA GLU 32 20.767 9.012 -3.744 236 HB2 GLU 32 HB2 GLU 32 19.364 7.941 -1.356 237 HB3 GLU 32 HB3 GLU 32 18.864 7.312 -2.919 238 HG2 GLU 32 HG2 GLU 32 20.491 5.817 -2.443 239 HG3 GLU 32 HG3 GLU 32 21.477 7.045 -3.234 240 H TYR 33 H TYR 33 19.105 8.484 -5.307 241 HA TYR 33 HA TYR 33 16.562 9.879 -5.043 242 HB2 TYR 33 HB2 TYR 33 18.573 10.504 -7.211 243 HB3 TYR 33 HB3 TYR 33 16.881 10.983 -7.274 244 HD1 TYR 33 HD2 TYR 33 20.109 11.552 -5.624 245 HD2 TYR 33 HD1 TYR 33 16.043 12.777 -5.888 246 HE1 TYR 33 HE2 TYR 33 20.649 13.594 -4.365 247 HE2 TYR 33 HE1 TYR 33 16.572 14.823 -4.631 248 HH TYR 33 HH TYR 33 19.440 15.246 -2.930 249 H CYS 34 H CYS 34 14.967 8.708 -5.888 250 HA CYS 34 HA CYS 34 15.468 6.193 -7.091 251 HB2 CYS 34 HB2 CYS 34 13.269 7.499 -5.923 252 HB3 CYS 34 HB3 CYS 34 12.779 7.125 -7.571 253 HG CYS 34 HG CYS 34 14.007 4.805 -5.375 254 H LEU 35 H LEU 35 16.371 6.095 -9.055 255 HA LEU 35 HA LEU 35 16.105 8.009 -11.087 256 HB2 LEU 35 HB2 LEU 35 17.774 6.000 -10.726 257 HB3 LEU 35 HB3 LEU 35 16.629 5.158 -11.769 258 HG LEU 35 HG LEU 35 18.535 6.036 -13.024 259 HD11 LEU 35 HD11 LEU 35 15.903 6.183 -13.707 260 HD12 LEU 35 HD12 LEU 35 17.252 6.482 -14.803 261 HD13 LEU 35 HD13 LEU 35 16.445 7.834 -14.008 262 HD21 LEU 35 HD21 LEU 35 19.409 8.017 -12.551 263 HD22 LEU 35 HD22 LEU 35 18.119 8.321 -11.388 264 HD23 LEU 35 HD23 LEU 35 17.920 8.804 -13.073 265 H LEU 36 H LEU 36 14.653 8.318 -12.671 266 HA LEU 36 HA LEU 36 12.478 6.346 -12.928 267 HB2 LEU 36 HB2 LEU 36 12.437 9.346 -13.036 268 HB3 LEU 36 HB3 LEU 36 11.137 8.373 -13.723 269 HG LEU 36 HG LEU 36 11.466 7.428 -11.111 270 HD11 LEU 36 HD11 LEU 36 12.625 9.905 -11.128 271 HD12 LEU 36 HD12 LEU 36 11.912 9.118 -9.721 272 HD13 LEU 36 HD13 LEU 36 10.963 10.268 -10.662 273 HD21 LEU 36 HD21 LEU 36 9.237 7.992 -10.890 274 HD22 LEU 36 HD22 LEU 36 9.416 7.882 -12.642 275 HD23 LEU 36 HD23 LEU 36 9.403 9.460 -11.853 276 H ASP 37 H ASP 37 14.241 8.893 -14.679 277 HA ASP 37 HA ASP 37 14.070 7.239 -17.097 278 HB2 ASP 37 HB2 ASP 37 12.524 9.490 -16.779 279 HB3 ASP 37 HB3 ASP 37 13.934 10.120 -17.627 280 H SER 38 H SER 38 16.032 6.864 -17.864 281 HA SER 38 HA SER 38 18.088 8.948 -17.596 282 HB2 SER 38 HB2 SER 38 19.736 7.011 -17.238 283 HB3 SER 38 HB3 SER 38 18.702 7.446 -15.878 284 HG SER 38 HG SER 38 18.187 5.348 -17.721 285 H SER 39 H SER 39 17.808 9.503 -19.766 286 HA SER 39 HA SER 39 18.312 7.431 -21.770 287 HB2 SER 39 HB2 SER 39 16.403 9.168 -21.926 288 HB3 SER 39 HB3 SER 39 17.669 10.310 -22.376 289 HG SER 39 HG SER 39 16.557 9.122 -24.132 290 H GLU 40 H GLU 40 19.543 10.592 -20.730 291 HA GLU 40 HA GLU 40 22.212 9.848 -21.542 292 HB2 GLU 40 HB2 GLU 40 20.653 11.181 -23.409 293 HB3 GLU 40 HB3 GLU 40 21.599 12.465 -22.668 294 HG2 GLU 40 HG2 GLU 40 23.265 11.923 -24.012 295 HG3 GLU 40 HG3 GLU 40 23.411 10.400 -23.137 296 H ILE 41 H ILE 41 23.830 11.411 -20.840 297 HA ILE 41 HA ILE 41 23.433 12.306 -18.238 298 HB ILE 41 HB ILE 41 25.660 11.896 -19.129 299 HG12 ILE 41 HG12 ILE 41 25.361 14.798 -18.331 300 HG13 ILE 41 HG13 ILE 41 25.346 13.447 -17.202 301 HG21 ILE 41 HG21 ILE 41 26.719 13.290 -20.737 302 HG22 ILE 41 HG22 ILE 41 25.150 12.837 -21.400 303 HG23 ILE 41 HG23 ILE 41 25.385 14.442 -20.709 304 HD11 ILE 41 HD11 ILE 41 27.665 13.743 -19.035 305 HD12 ILE 41 HD12 ILE 41 27.526 14.823 -17.647 306 HD13 ILE 41 HD13 ILE 41 27.587 13.077 -17.404 307 H HIS 42 H HIS 42 22.530 13.761 -21.196 308 HA HIS 42 HA HIS 42 22.634 16.474 -20.655 309 HB2 HIS 42 HB2 HIS 42 20.656 14.839 -22.238 310 HB3 HIS 42 HB3 HIS 42 20.567 16.596 -22.157 311 HD1 HIS 42 HD1 HIS 42 23.595 14.346 -22.660 312 HD2 HIS 42 HD2 HIS 42 21.532 17.421 -24.546 313 HE1 HIS 42 HE1 HIS 42 24.941 14.900 -24.711 314 H TRP 43 H TRP 43 20.068 14.157 -19.841 315 HA TRP 43 HA TRP 43 19.320 15.758 -17.556 316 HB2 TRP 43 HB2 TRP 43 16.963 15.992 -18.202 317 HB3 TRP 43 HB3 TRP 43 18.019 16.828 -19.338 318 HD1 TRP 43 HD1 TRP 43 18.048 15.983 -21.834 319 HE1 TRP 43 HE1 TRP 43 16.587 14.319 -23.146 320 HE3 TRP 43 HE3 TRP 43 15.649 13.744 -17.914 321 HZ2 TRP 43 HZ2 TRP 43 14.670 12.322 -22.593 322 HZ3 TRP 43 HZ3 TRP 43 14.016 11.966 -18.391 323 HH2 TRP 43 HH2 TRP 43 13.538 11.271 -20.683 324 H TRP 44 H TRP 44 18.776 14.452 -15.932 325 HA TRP 44 HA TRP 44 17.832 11.738 -16.585 326 HB2 TRP 44 HB2 TRP 44 20.016 12.649 -14.806 327 HB3 TRP 44 HB3 TRP 44 18.990 11.366 -14.171 328 HD1 TRP 44 HD1 TRP 44 19.780 11.507 -17.906 329 HE1 TRP 44 HE1 TRP 44 21.247 9.483 -18.517 330 HE3 TRP 44 HE3 TRP 44 20.704 9.727 -13.204 331 HZ2 TRP 44 HZ2 TRP 44 22.615 7.406 -17.181 332 HZ3 TRP 44 HZ3 TRP 44 22.101 7.717 -12.957 333 HH2 TRP 44 HH2 TRP 44 23.036 6.581 -14.906 334 H ARG 45 H ARG 45 15.806 11.463 -15.947 335 HA ARG 45 HA ARG 45 14.594 13.187 -13.990 336 HB2 ARG 45 HB2 ARG 45 13.702 11.414 -16.064 337 HB3 ARG 45 HB3 ARG 45 12.876 11.016 -14.564 338 HG2 ARG 45 HG2 ARG 45 12.573 13.657 -14.491 339 HG3 ARG 45 HG3 ARG 45 12.709 13.448 -16.239 340 HD2 ARG 45 HD2 ARG 45 10.987 11.423 -15.287 341 HD3 ARG 45 HD3 ARG 45 10.479 12.931 -14.529 342 HE ARG 45 HE ARG 45 10.916 13.288 -17.309 343 HH11 ARG 45 HH11 ARG 45 8.660 11.958 -15.016 344 HH12 ARG 45 HH12 ARG 45 7.287 12.155 -16.054 345 HH21 ARG 45 HH21 ARG 45 9.116 13.553 -18.686 346 HH22 ARG 45 HH22 ARG 45 7.548 13.062 -18.142 347 H VAL 46 H VAL 46 14.657 12.870 -11.874 348 HA VAL 46 HA VAL 46 14.625 10.124 -10.837 349 HB VAL 46 HB VAL 46 16.312 10.609 -9.178 350 HG11 VAL 46 HG11 VAL 46 17.737 11.610 -11.557 351 HG12 VAL 46 HG12 VAL 46 18.065 10.204 -10.541 352 HG13 VAL 46 HG13 VAL 46 16.813 10.125 -11.781 353 HG21 VAL 46 HG21 VAL 46 15.917 12.947 -8.792 354 HG22 VAL 46 HG22 VAL 46 17.599 12.736 -9.277 355 HG23 VAL 46 HG23 VAL 46 16.418 13.348 -10.435 356 H GLN 47 H GLN 47 14.092 10.060 -8.486 357 HA GLN 47 HA GLN 47 12.323 12.295 -7.742 358 HB2 GLN 47 HB2 GLN 47 10.931 10.445 -8.369 359 HB3 GLN 47 HB3 GLN 47 11.886 9.328 -7.402 360 HG2 GLN 47 HG2 GLN 47 11.042 10.162 -5.391 361 HG3 GLN 47 HG3 GLN 47 10.433 11.630 -6.154 362 HE21 GLN 47 HE21 GLN 47 10.100 8.180 -6.908 363 HE22 GLN 47 HE22 GLN 47 8.373 8.174 -6.923 364 H ASP 48 H ASP 48 12.355 12.984 -5.642 365 HA ASP 48 HA ASP 48 14.674 12.281 -4.096 366 HB2 ASP 48 HB2 ASP 48 13.302 14.580 -4.358 367 HB3 ASP 48 HB3 ASP 48 12.550 13.965 -2.889 368 H ARG 49 H ARG 49 13.977 12.361 -1.511 369 HA ARG 49 HA ARG 49 12.526 9.845 -1.183 370 HB2 ARG 49 HB2 ARG 49 13.572 9.677 0.966 371 HB3 ARG 49 HB3 ARG 49 14.807 10.145 -0.195 372 HG2 ARG 49 HG2 ARG 49 14.055 12.574 0.642 373 HG3 ARG 49 HG3 ARG 49 13.687 11.635 2.090 374 HD2 ARG 49 HD2 ARG 49 16.242 10.868 1.014 375 HD3 ARG 49 HD3 ARG 49 16.182 12.611 1.270 376 HE ARG 49 HE ARG 49 16.124 12.250 3.538 377 HH11 ARG 49 HH11 ARG 49 15.556 9.252 1.862 378 HH12 ARG 49 HH12 ARG 49 15.682 8.279 3.290 379 HH21 ARG 49 HH21 ARG 49 16.294 10.980 5.425 380 HH22 ARG 49 HH22 ARG 49 16.101 9.263 5.316 381 H ASN 50 H ASN 50 11.418 12.712 -1.525 382 HA ASN 50 HA ASN 50 9.648 12.648 0.831 383 HB2 ASN 50 HB2 ASN 50 10.223 15.084 -0.858 384 HB3 ASN 50 HB3 ASN 50 9.418 15.023 0.707 385 HD21 ASN 50 HD21 ASN 50 12.476 14.706 -0.955 386 HD22 ASN 50 HD22 ASN 50 13.475 14.961 0.432 387 H GLY 51 H GLY 51 9.884 12.715 -2.627 388 HA2 GLY 51 HA2 GLY 51 7.950 11.622 -3.747 389 HA3 GLY 51 HA3 GLY 51 6.933 12.689 -2.790 390 H HIS 52 H HIS 52 9.911 13.851 -4.150 391 HA HIS 52 HA HIS 52 8.353 15.411 -6.106 392 HB2 HIS 52 HB2 HIS 52 10.946 16.228 -4.781 393 HB3 HIS 52 HB3 HIS 52 9.949 17.216 -5.846 394 HD1 HIS 52 HD1 HIS 52 10.530 16.501 -2.353 395 HD2 HIS 52 HD2 HIS 52 7.308 17.787 -4.639 396 HE1 HIS 52 HE1 HIS 52 8.907 17.509 -0.719 397 H GLU 53 H GLU 53 8.778 14.996 -8.165 398 HA GLU 53 HA GLU 53 11.335 13.701 -8.835 399 HB2 GLU 53 HB2 GLU 53 8.867 13.690 -10.560 400 HB3 GLU 53 HB3 GLU 53 10.264 12.627 -10.654 401 HG2 GLU 53 HG2 GLU 53 9.547 11.885 -8.279 402 HG3 GLU 53 HG3 GLU 53 7.994 12.596 -8.716 403 H GLY 54 H GLY 54 12.654 14.553 -10.371 404 HA2 GLY 54 HA2 GLY 54 11.740 16.664 -12.126 405 HA3 GLY 54 HA3 GLY 54 12.852 17.198 -10.874 406 H TYR 55 H TYR 55 13.970 17.772 -13.015 407 HA TYR 55 HA TYR 55 15.452 15.488 -14.099 408 HB2 TYR 55 HB2 TYR 55 15.198 18.339 -15.074 409 HB3 TYR 55 HB3 TYR 55 16.191 17.109 -15.848 410 HD1 TYR 55 HD1 TYR 55 12.697 17.979 -14.952 411 HD2 TYR 55 HD2 TYR 55 15.246 15.578 -17.369 412 HE1 TYR 55 HE1 TYR 55 10.752 17.249 -16.269 413 HE2 TYR 55 HE2 TYR 55 13.308 14.842 -18.693 414 HH TYR 55 HH TYR 55 10.469 16.338 -18.785 415 H VAL 56 H VAL 56 17.655 15.320 -13.986 416 HA VAL 56 HA VAL 56 19.223 17.457 -12.795 417 HB VAL 56 HB VAL 56 20.242 15.792 -11.149 418 HG11 VAL 56 HG11 VAL 56 17.426 16.335 -10.362 419 HG12 VAL 56 HG12 VAL 56 18.925 16.619 -9.474 420 HG13 VAL 56 HG13 VAL 56 18.456 17.702 -10.785 421 HG21 VAL 56 HG21 VAL 56 18.760 13.986 -10.397 422 HG22 VAL 56 HG22 VAL 56 17.642 14.364 -11.708 423 HG23 VAL 56 HG23 VAL 56 19.260 13.764 -12.074 424 HA PRO 57 HA PRO 57 22.379 15.897 -15.418 425 HB2 PRO 57 HB2 PRO 57 24.610 16.550 -14.017 426 HB3 PRO 57 HB3 PRO 57 23.610 17.750 -14.844 427 HG2 PRO 57 HG2 PRO 57 23.649 16.988 -11.949 428 HG3 PRO 57 HG3 PRO 57 23.558 18.601 -12.681 429 HD2 PRO 57 HD2 PRO 57 21.381 17.318 -11.706 430 HD3 PRO 57 HD3 PRO 57 21.297 18.424 -13.092 431 H SER 58 H SER 58 23.178 13.927 -15.794 432 HA SER 58 HA SER 58 23.211 11.945 -13.736 433 HB2 SER 58 HB2 SER 58 22.608 11.480 -16.121 434 HB3 SER 58 HB3 SER 58 24.301 11.727 -16.551 435 HG SER 58 HG SER 58 24.664 9.761 -15.940 436 H SER 59 H SER 59 25.597 13.961 -15.277 437 HA SER 59 HA SER 59 27.929 12.562 -14.670 438 HB2 SER 59 HB2 SER 59 27.266 15.114 -15.694 439 HB3 SER 59 HB3 SER 59 28.372 15.385 -14.348 440 HG SER 59 HG SER 59 29.313 14.975 -16.514 441 H TYR 60 H TYR 60 25.749 14.239 -12.611 442 HA TYR 60 HA TYR 60 27.687 14.149 -10.398 443 HB2 TYR 60 HB2 TYR 60 25.115 15.724 -10.645 444 HB3 TYR 60 HB3 TYR 60 26.187 15.741 -9.249 445 HD1 TYR 60 HD2 TYR 60 26.263 16.356 -12.933 446 HD2 TYR 60 HD1 TYR 60 27.785 17.407 -9.101 447 HE1 TYR 60 HE2 TYR 60 27.552 18.185 -13.953 448 HE2 TYR 60 HE1 TYR 60 29.077 19.240 -10.111 449 HH TYR 60 HH TYR 60 29.186 20.573 -12.036 450 H LEU 61 H LEU 61 25.914 11.976 -11.573 451 HA LEU 61 HA LEU 61 24.817 11.087 -9.003 452 HB2 LEU 61 HB2 LEU 61 23.396 11.236 -11.632 453 HB3 LEU 61 HB3 LEU 61 22.950 10.013 -10.444 454 HG LEU 61 HG LEU 61 22.971 12.942 -9.774 455 HD11 LEU 61 HD11 LEU 61 21.467 12.927 -11.554 456 HD12 LEU 61 HD12 LEU 61 20.444 12.713 -10.135 457 HD13 LEU 61 HD13 LEU 61 20.851 11.326 -11.145 458 HD21 LEU 61 HD21 LEU 61 22.524 12.119 -7.758 459 HD22 LEU 61 HD22 LEU 61 22.370 10.481 -8.392 460 HD23 LEU 61 HD23 LEU 61 20.978 11.565 -8.402 461 H VAL 62 H VAL 62 25.276 9.021 -8.513 462 HA VAL 62 HA VAL 62 26.536 7.380 -10.612 463 HB VAL 62 HB VAL 62 28.002 8.071 -8.688 464 HG11 VAL 62 HG11 VAL 62 26.797 6.009 -6.960 465 HG12 VAL 62 HG12 VAL 62 27.556 7.545 -6.538 466 HG13 VAL 62 HG13 VAL 62 25.889 7.513 -7.113 467 HG21 VAL 62 HG21 VAL 62 28.358 6.044 -10.128 468 HG22 VAL 62 HG22 VAL 62 29.087 5.957 -8.525 469 HG23 VAL 62 HG23 VAL 62 27.587 5.092 -8.859 470 H GLU 63 H GLU 63 25.768 5.379 -11.017 471 HA GLU 63 HA GLU 63 23.190 4.660 -10.131 472 HB2 GLU 63 HB2 GLU 63 25.157 3.653 -11.993 473 HB3 GLU 63 HB3 GLU 63 24.416 2.331 -11.103 474 HG2 GLU 63 HG2 GLU 63 22.352 2.692 -11.999 475 HG3 GLU 63 HG3 GLU 63 22.639 4.413 -12.250 476 H LYS 64 H LYS 64 22.651 3.928 -8.195 477 HA LYS 64 HA LYS 64 24.534 2.919 -6.324 478 HB2 LYS 64 HB2 LYS 64 22.566 4.095 -5.553 479 HB3 LYS 64 HB3 LYS 64 21.511 2.913 -6.316 480 HG2 LYS 64 HG2 LYS 64 21.583 1.587 -4.540 481 HG3 LYS 64 HG3 LYS 64 23.346 1.645 -4.485 482 HD2 LYS 64 HD2 LYS 64 22.923 4.041 -3.501 483 HD3 LYS 64 HD3 LYS 64 21.341 3.368 -3.102 484 HE2 LYS 64 HE2 LYS 64 22.844 3.092 -1.229 485 HE3 LYS 64 HE3 LYS 64 22.457 1.516 -1.920 486 HZ1 LYS 64 HZ1 LYS 64 24.879 2.020 -1.340 487 HZ2 LYS 64 HZ2 LYS 64 24.890 2.975 -2.735 488 HZ3 LYS 64 HZ3 LYS 64 24.560 1.320 -2.847 489 H SER 65 H SER 65 25.546 1.072 -6.949 490 HA SER 65 HA SER 65 23.881 -1.333 -7.084 491 HB2 SER 65 HB2 SER 65 25.633 -0.286 -9.226 492 HB3 SER 65 HB3 SER 65 25.791 -2.009 -8.884 493 HG SER 65 HG SER 65 24.129 -1.298 -10.475 494 HA PRO 66 HA PRO 66 26.886 -3.171 -4.472 495 HB2 PRO 66 HB2 PRO 66 26.971 -5.728 -5.382 496 HB3 PRO 66 HB3 PRO 66 25.597 -5.073 -4.483 497 HG2 PRO 66 HG2 PRO 66 25.929 -5.438 -7.436 498 HG3 PRO 66 HG3 PRO 66 24.517 -5.778 -6.418 499 HD2 PRO 66 HD2 PRO 66 24.718 -3.541 -7.930 500 HD3 PRO 66 HD3 PRO 66 23.857 -3.570 -6.378 Start of MODEL 10 1 H1 GLY 1 H GLY 1 1.794 7.863 2.246 2 HA2 GLY 1 HA2 GLY 1 0.330 8.615 0.256 3 HA3 GLY 1 HA3 GLY 1 1.887 8.910 -0.503 4 HA PRO 2 HA PRO 2 0.381 4.454 -1.112 5 HB2 PRO 2 HB2 PRO 2 -0.179 4.623 -3.763 6 HB3 PRO 2 HB3 PRO 2 -1.377 4.949 -2.505 7 HG2 PRO 2 HG2 PRO 2 0.261 6.877 -4.105 8 HG3 PRO 2 HG3 PRO 2 -1.456 6.960 -3.671 9 HD2 PRO 2 HD2 PRO 2 0.449 8.360 -2.352 10 HD3 PRO 2 HD3 PRO 2 -1.011 7.747 -1.550 11 H LEU 3 H LEU 3 1.214 3.004 -3.040 12 HA LEU 3 HA LEU 3 4.055 3.668 -3.385 13 HB2 LEU 3 HB2 LEU 3 2.641 1.281 -2.666 14 HB3 LEU 3 HB3 LEU 3 3.572 0.997 -4.136 15 HG LEU 3 HG LEU 3 4.895 0.323 -2.266 16 HD11 LEU 3 HD11 LEU 3 5.892 1.740 -4.177 17 HD12 LEU 3 HD12 LEU 3 6.860 1.463 -2.730 18 HD13 LEU 3 HD13 LEU 3 6.032 3.004 -2.955 19 HD21 LEU 3 HD21 LEU 3 3.699 1.645 -0.560 20 HD22 LEU 3 HD22 LEU 3 4.513 3.097 -1.145 21 HD23 LEU 3 HD23 LEU 3 5.452 1.787 -0.427 22 H GLY 4 H GLY 4 4.907 3.973 -5.353 23 HA2 GLY 4 HA2 GLY 4 3.867 2.788 -7.727 24 HA3 GLY 4 HA3 GLY 4 3.380 4.472 -7.602 25 H SER 5 H SER 5 6.403 2.761 -6.813 26 HA SER 5 HA SER 5 7.799 4.625 -8.622 27 HB2 SER 5 HB2 SER 5 8.422 3.770 -5.835 28 HB3 SER 5 HB3 SER 5 9.775 4.028 -6.935 29 HG SER 5 HG SER 5 7.711 5.922 -6.494 30 HA PRO 6 HA PRO 6 9.609 1.219 -10.710 31 HB2 PRO 6 HB2 PRO 6 12.137 2.093 -11.176 32 HB3 PRO 6 HB3 PRO 6 10.726 2.739 -12.022 33 HG2 PRO 6 HG2 PRO 6 12.211 3.867 -9.681 34 HG3 PRO 6 HG3 PRO 6 11.589 4.699 -11.118 35 HD2 PRO 6 HD2 PRO 6 10.301 4.744 -8.736 36 HD3 PRO 6 HD3 PRO 6 9.441 4.792 -10.288 37 H GLU 7 H GLU 7 11.868 2.546 -8.284 38 HA GLU 7 HA GLU 7 13.334 1.537 -6.860 39 HB2 GLU 7 HB2 GLU 7 10.912 0.691 -6.188 40 HB3 GLU 7 HB3 GLU 7 11.569 -0.861 -6.691 41 HG2 GLU 7 HG2 GLU 7 13.176 0.790 -4.824 42 HG3 GLU 7 HG3 GLU 7 11.734 -0.009 -4.200 43 H GLU 8 H GLU 8 13.937 1.119 -9.551 44 HA GLU 8 HA GLU 8 14.817 -1.680 -9.668 45 HB2 GLU 8 HB2 GLU 8 14.955 0.320 -11.916 46 HB3 GLU 8 HB3 GLU 8 15.030 -1.433 -12.018 47 HG2 GLU 8 HG2 GLU 8 12.593 -1.007 -10.840 48 HG3 GLU 8 HG3 GLU 8 12.726 0.344 -11.965 49 H THR 9 H THR 9 16.025 1.617 -10.245 50 HA THR 9 HA THR 9 18.673 0.727 -9.348 51 HB THR 9 HB THR 9 18.213 2.418 -11.814 52 HG1 THR 9 HG1 THR 9 19.347 -0.188 -11.611 53 HG21 THR 9 HG21 THR 9 20.824 1.650 -11.856 54 HG22 THR 9 HG22 THR 9 20.562 1.892 -10.129 55 HG23 THR 9 HG23 THR 9 20.250 3.207 -11.262 56 H VAL 10 H VAL 10 19.911 2.291 -8.317 57 HA VAL 10 HA VAL 10 18.545 4.851 -7.789 58 HB VAL 10 HB VAL 10 20.335 3.447 -5.813 59 HG11 VAL 10 HG11 VAL 10 20.160 5.768 -5.357 60 HG12 VAL 10 HG12 VAL 10 18.418 5.762 -5.644 61 HG13 VAL 10 HG13 VAL 10 19.082 4.950 -4.226 62 HG21 VAL 10 HG21 VAL 10 18.704 1.948 -5.532 63 HG22 VAL 10 HG22 VAL 10 17.769 3.264 -4.821 64 HG23 VAL 10 HG23 VAL 10 17.575 2.867 -6.528 65 H VAL 11 H VAL 11 19.911 6.667 -7.336 66 HA VAL 11 HA VAL 11 22.682 6.366 -8.286 67 HB VAL 11 HB VAL 11 22.494 8.586 -9.371 68 HG11 VAL 11 HG11 VAL 11 22.235 6.494 -10.649 69 HG12 VAL 11 HG12 VAL 11 20.490 6.579 -10.398 70 HG13 VAL 11 HG13 VAL 11 21.310 7.826 -11.339 71 HG21 VAL 11 HG21 VAL 11 19.539 8.281 -8.846 72 HG22 VAL 11 HG22 VAL 11 20.605 9.430 -8.038 73 HG23 VAL 11 HG23 VAL 11 20.310 9.570 -9.771 74 H ILE 12 H ILE 12 24.218 7.724 -7.355 75 HA ILE 12 HA ILE 12 23.336 9.039 -4.875 76 HB ILE 12 HB ILE 12 26.196 8.349 -5.434 77 HG12 ILE 12 HG12 ILE 12 24.081 6.465 -4.370 78 HG13 ILE 12 HG13 ILE 12 24.987 6.281 -5.868 79 HG21 ILE 12 HG21 ILE 12 25.388 9.774 -3.484 80 HG22 ILE 12 HG22 ILE 12 24.705 8.287 -2.829 81 HG23 ILE 12 HG23 ILE 12 26.443 8.414 -3.100 82 HD11 ILE 12 HD11 ILE 12 26.132 6.201 -3.087 83 HD12 ILE 12 HD12 ILE 12 25.846 4.816 -4.141 84 HD13 ILE 12 HD13 ILE 12 27.048 6.028 -4.584 85 H ALA 13 H ALA 13 23.709 11.156 -4.547 86 HA ALA 13 HA ALA 13 24.542 12.772 -6.760 87 HB1 ALA 13 HB1 ALA 13 24.356 14.561 -4.784 88 HB2 ALA 13 HB2 ALA 13 22.948 13.918 -5.630 89 HB3 ALA 13 HB3 ALA 13 23.418 13.250 -4.067 90 H LEU 14 H LEU 14 26.502 13.555 -7.193 91 HA LEU 14 HA LEU 14 28.684 12.957 -5.367 92 HB2 LEU 14 HB2 LEU 14 28.990 14.338 -8.004 93 HB3 LEU 14 HB3 LEU 14 30.132 13.297 -7.157 94 HG LEU 14 HG LEU 14 27.654 12.448 -8.650 95 HD11 LEU 14 HD11 LEU 14 29.567 11.061 -9.790 96 HD12 LEU 14 HD12 LEU 14 30.582 12.369 -9.183 97 HD13 LEU 14 HD13 LEU 14 29.244 12.726 -10.274 98 HD21 LEU 14 HD21 LEU 14 27.581 10.673 -7.315 99 HD22 LEU 14 HD22 LEU 14 29.054 11.166 -6.479 100 HD23 LEU 14 HD23 LEU 14 29.156 10.205 -7.955 101 H TYR 15 H TYR 15 26.947 15.713 -6.642 102 HA TYR 15 HA TYR 15 28.225 17.409 -4.647 103 HB2 TYR 15 HB2 TYR 15 28.056 18.321 -7.520 104 HB3 TYR 15 HB3 TYR 15 28.857 19.130 -6.178 105 HD1 TYR 15 HD2 TYR 15 30.969 18.194 -5.258 106 HD2 TYR 15 HD1 TYR 15 29.151 16.607 -8.763 107 HE1 TYR 15 HE2 TYR 15 33.081 17.077 -5.841 108 HE2 TYR 15 HE1 TYR 15 31.258 15.484 -9.354 109 HH TYR 15 HH TYR 15 33.331 14.998 -8.706 110 H ASP 16 H ASP 16 27.046 19.343 -4.189 111 HA ASP 16 HA ASP 16 24.239 18.994 -4.254 112 HB2 ASP 16 HB2 ASP 16 24.211 21.353 -3.329 113 HB3 ASP 16 HB3 ASP 16 25.159 20.187 -2.410 114 H TYR 17 H TYR 17 23.211 19.042 -6.164 115 HA TYR 17 HA TYR 17 23.918 21.042 -8.159 116 HB2 TYR 17 HB2 TYR 17 23.574 18.837 -9.027 117 HB3 TYR 17 HB3 TYR 17 22.028 18.687 -8.201 118 HD1 TYR 17 HD1 TYR 17 23.747 20.743 -10.796 119 HD2 TYR 17 HD2 TYR 17 20.068 19.168 -9.350 120 HE1 TYR 17 HE1 TYR 17 22.602 21.595 -12.799 121 HE2 TYR 17 HE2 TYR 17 18.913 20.014 -11.350 122 HH TYR 17 HH TYR 17 19.417 22.012 -13.058 123 H GLN 18 H GLN 18 22.470 22.565 -8.991 124 HA GLN 18 HA GLN 18 19.961 22.954 -7.527 125 HB2 GLN 18 HB2 GLN 18 22.248 24.869 -7.737 126 HB3 GLN 18 HB3 GLN 18 20.607 25.499 -7.688 127 HG2 GLN 18 HG2 GLN 18 20.332 24.047 -5.589 128 HG3 GLN 18 HG3 GLN 18 22.093 23.964 -5.595 129 HE21 GLN 18 HE21 GLN 18 19.451 25.661 -4.521 130 HE22 GLN 18 HE22 GLN 18 20.234 27.136 -4.078 131 H THR 19 H THR 19 18.301 23.394 -8.825 132 HA THR 19 HA THR 19 18.844 23.882 -11.654 133 HB THR 19 HB THR 19 17.314 22.076 -11.245 134 HG1 THR 19 HG1 THR 19 15.301 23.233 -12.167 135 HG21 THR 19 HG21 THR 19 15.003 22.867 -10.208 136 HG22 THR 19 HG22 THR 19 16.050 24.027 -9.389 137 HG23 THR 19 HG23 THR 19 16.327 22.296 -9.192 138 H ASN 20 H ASN 20 17.478 25.433 -12.833 139 HA ASN 20 HA ASN 20 17.215 27.904 -11.294 140 HB2 ASN 20 HB2 ASN 20 18.559 28.030 -13.323 141 HB3 ASN 20 HB3 ASN 20 17.215 27.412 -14.280 142 HD21 ASN 20 HD21 ASN 20 17.499 29.901 -11.768 143 HD22 ASN 20 HD22 ASN 20 16.786 31.167 -12.704 144 H ASP 21 H ASP 21 15.316 25.528 -12.941 145 HA ASP 21 HA ASP 21 12.896 27.119 -12.393 146 HB2 ASP 21 HB2 ASP 21 13.674 25.527 -14.788 147 HB3 ASP 21 HB3 ASP 21 11.979 25.506 -14.307 148 HA PRO 22 HA PRO 22 11.337 23.823 -9.957 149 HB2 PRO 22 HB2 PRO 22 8.698 23.822 -10.594 150 HB3 PRO 22 HB3 PRO 22 9.450 25.090 -9.620 151 HG2 PRO 22 HG2 PRO 22 8.772 25.092 -12.536 152 HG3 PRO 22 HG3 PRO 22 8.547 26.377 -11.334 153 HD2 PRO 22 HD2 PRO 22 10.610 26.367 -13.088 154 HD3 PRO 22 HD3 PRO 22 10.750 27.046 -11.454 155 H GLN 23 H GLN 23 11.037 23.685 -13.387 156 HA GLN 23 HA GLN 23 9.747 21.234 -13.740 157 HB2 GLN 23 HB2 GLN 23 10.565 23.041 -15.461 158 HB3 GLN 23 HB3 GLN 23 12.007 22.037 -15.530 159 HG2 GLN 23 HG2 GLN 23 10.845 21.075 -17.209 160 HG3 GLN 23 HG3 GLN 23 10.195 20.130 -15.870 161 HE21 GLN 23 HE21 GLN 23 8.400 19.767 -17.330 162 HE22 GLN 23 HE22 GLN 23 7.141 20.946 -17.432 163 H GLU 24 H GLU 24 13.143 21.980 -13.127 164 HA GLU 24 HA GLU 24 13.754 19.112 -13.051 165 HB2 GLU 24 HB2 GLU 24 15.779 21.319 -12.800 166 HB3 GLU 24 HB3 GLU 24 16.023 19.661 -13.331 167 HG2 GLU 24 HG2 GLU 24 14.258 20.594 -15.189 168 HG3 GLU 24 HG3 GLU 24 15.230 22.025 -14.848 169 H LEU 25 H LEU 25 15.179 18.348 -11.296 170 HA LEU 25 HA LEU 25 14.402 19.592 -8.749 171 HB2 LEU 25 HB2 LEU 25 14.408 16.908 -9.682 172 HB3 LEU 25 HB3 LEU 25 15.571 17.032 -8.364 173 HG LEU 25 HG LEU 25 13.842 17.847 -6.873 174 HD11 LEU 25 HD11 LEU 25 11.435 17.437 -8.102 175 HD12 LEU 25 HD12 LEU 25 12.386 18.193 -9.380 176 HD13 LEU 25 HD13 LEU 25 12.189 19.007 -7.828 177 HD21 LEU 25 HD21 LEU 25 14.063 15.281 -7.857 178 HD22 LEU 25 HD22 LEU 25 12.331 15.604 -7.943 179 HD23 LEU 25 HD23 LEU 25 13.184 15.767 -6.407 180 H ALA 26 H ALA 26 16.047 19.131 -6.939 181 HA ALA 26 HA ALA 26 18.728 19.808 -7.957 182 HB1 ALA 26 HB1 ALA 26 17.076 20.964 -5.868 183 HB2 ALA 26 HB2 ALA 26 18.691 20.544 -5.296 184 HB3 ALA 26 HB3 ALA 26 18.498 21.620 -6.680 185 H LEU 27 H LEU 27 20.554 18.901 -6.946 186 HA LEU 27 HA LEU 27 19.998 16.354 -5.594 187 HB2 LEU 27 HB2 LEU 27 22.550 17.246 -6.922 188 HB3 LEU 27 HB3 LEU 27 22.169 15.628 -6.334 189 HG LEU 27 HG LEU 27 20.521 16.872 -8.503 190 HD11 LEU 27 HD11 LEU 27 22.314 17.004 -9.819 191 HD12 LEU 27 HD12 LEU 27 22.318 15.241 -9.801 192 HD13 LEU 27 HD13 LEU 27 23.329 16.136 -8.667 193 HD21 LEU 27 HD21 LEU 27 19.670 14.847 -7.529 194 HD22 LEU 27 HD22 LEU 27 21.232 14.048 -7.719 195 HD23 LEU 27 HD23 LEU 27 20.285 14.485 -9.142 196 H ARG 28 H ARG 28 21.582 15.656 -3.941 197 HA ARG 28 HA ARG 28 22.777 17.904 -2.473 198 HB2 ARG 28 HB2 ARG 28 20.797 15.890 -1.483 199 HB3 ARG 28 HB3 ARG 28 22.010 16.518 -0.375 200 HG2 ARG 28 HG2 ARG 28 20.260 18.342 -1.985 201 HG3 ARG 28 HG3 ARG 28 19.737 17.672 -0.439 202 HD2 ARG 28 HD2 ARG 28 21.957 18.580 0.475 203 HD3 ARG 28 HD3 ARG 28 22.022 19.531 -1.008 204 HE ARG 28 HE ARG 28 19.518 19.918 0.171 205 HH11 ARG 28 HH11 ARG 28 22.872 20.612 0.795 206 HH12 ARG 28 HH12 ARG 28 22.540 22.046 1.710 207 HH21 ARG 28 HH21 ARG 28 19.068 21.804 1.373 208 HH22 ARG 28 HH22 ARG 28 20.376 22.722 2.038 209 H ARG 29 H ARG 29 24.820 17.542 -1.903 210 HA ARG 29 HA ARG 29 26.293 15.347 -2.678 211 HB2 ARG 29 HB2 ARG 29 27.022 17.688 -1.763 212 HB3 ARG 29 HB3 ARG 29 27.070 16.861 -0.212 213 HG2 ARG 29 HG2 ARG 29 28.612 15.186 -1.254 214 HG3 ARG 29 HG3 ARG 29 28.675 16.231 -2.675 215 HD2 ARG 29 HD2 ARG 29 30.545 16.878 -1.457 216 HD3 ARG 29 HD3 ARG 29 29.337 18.083 -1.011 217 HE ARG 29 HE ARG 29 29.442 15.823 0.766 218 HH11 ARG 29 HH11 ARG 29 30.759 18.961 0.032 219 HH12 ARG 29 HH12 ARG 29 31.293 19.261 1.653 220 HH21 ARG 29 HH21 ARG 29 30.139 16.207 2.904 221 HH22 ARG 29 HH22 ARG 29 30.940 17.693 3.285 222 H ASN 30 H ASN 30 26.766 13.386 -1.853 223 HA ASN 30 HA ASN 30 26.669 11.533 -0.537 224 HB2 ASN 30 HB2 ASN 30 27.701 13.216 1.107 225 HB3 ASN 30 HB3 ASN 30 26.092 13.324 1.817 226 HD21 ASN 30 HD21 ASN 30 28.187 10.716 0.621 227 HD22 ASN 30 HD22 ASN 30 28.030 9.720 2.023 228 H GLU 31 H GLU 31 24.386 12.097 -1.903 229 HA GLU 31 HA GLU 31 22.332 11.113 -0.056 230 HB2 GLU 31 HB2 GLU 31 22.222 13.669 -0.749 231 HB3 GLU 31 HB3 GLU 31 21.498 13.004 -2.207 232 HG2 GLU 31 HG2 GLU 31 19.802 13.658 -0.599 233 HG3 GLU 31 HG3 GLU 31 19.777 11.918 -0.878 234 H GLU 32 H GLU 32 20.473 10.122 -1.218 235 HA GLU 32 HA GLU 32 21.374 8.872 -3.731 236 HB2 GLU 32 HB2 GLU 32 20.097 7.742 -1.296 237 HB3 GLU 32 HB3 GLU 32 19.600 7.074 -2.844 238 HG2 GLU 32 HG2 GLU 32 21.648 6.158 -3.270 239 HG3 GLU 32 HG3 GLU 32 22.506 7.342 -2.285 240 H TYR 33 H TYR 33 19.683 8.234 -5.228 241 HA TYR 33 HA TYR 33 17.086 9.505 -4.888 242 HB2 TYR 33 HB2 TYR 33 18.967 10.192 -7.153 243 HB3 TYR 33 HB3 TYR 33 17.259 10.617 -7.119 244 HD1 TYR 33 HD1 TYR 33 16.428 12.277 -5.492 245 HD2 TYR 33 HD2 TYR 33 20.577 11.410 -5.863 246 HE1 TYR 33 HE1 TYR 33 16.963 14.346 -4.274 247 HE2 TYR 33 HE2 TYR 33 21.123 13.476 -4.645 248 HH TYR 33 HH TYR 33 18.597 15.749 -3.656 249 H CYS 34 H CYS 34 15.526 8.237 -5.654 250 HA CYS 34 HA CYS 34 16.119 5.744 -6.866 251 HB2 CYS 34 HB2 CYS 34 13.888 6.954 -5.624 252 HB3 CYS 34 HB3 CYS 34 13.362 6.477 -7.233 253 HG CYS 34 HG CYS 34 12.804 4.552 -5.120 254 H LEU 35 H LEU 35 16.931 5.687 -8.871 255 HA LEU 35 HA LEU 35 16.447 7.572 -10.894 256 HB2 LEU 35 HB2 LEU 35 18.260 5.673 -10.600 257 HB3 LEU 35 HB3 LEU 35 17.129 4.763 -11.600 258 HG LEU 35 HG LEU 35 18.923 5.763 -12.927 259 HD11 LEU 35 HD11 LEU 35 16.682 7.422 -13.818 260 HD12 LEU 35 HD12 LEU 35 16.261 5.739 -13.503 261 HD13 LEU 35 HD13 LEU 35 17.542 6.127 -14.651 262 HD21 LEU 35 HD21 LEU 35 18.122 8.486 -12.933 263 HD22 LEU 35 HD22 LEU 35 19.685 7.799 -12.492 264 HD23 LEU 35 HD23 LEU 35 18.435 8.010 -11.264 265 H LEU 36 H LEU 36 14.915 7.764 -12.422 266 HA LEU 36 HA LEU 36 12.878 5.640 -12.584 267 HB2 LEU 36 HB2 LEU 36 12.406 8.575 -13.054 268 HB3 LEU 36 HB3 LEU 36 11.198 7.297 -12.941 269 HG LEU 36 HG LEU 36 12.838 7.590 -10.534 270 HD11 LEU 36 HD11 LEU 36 12.662 9.953 -11.358 271 HD12 LEU 36 HD12 LEU 36 11.938 9.653 -9.778 272 HD13 LEU 36 HD13 LEU 36 10.911 9.803 -11.204 273 HD21 LEU 36 HD21 LEU 36 9.997 7.960 -10.247 274 HD22 LEU 36 HD22 LEU 36 11.025 6.656 -9.654 275 HD23 LEU 36 HD23 LEU 36 10.346 6.574 -11.280 276 H ASP 37 H ASP 37 14.364 8.329 -14.377 277 HA ASP 37 HA ASP 37 14.157 6.706 -16.816 278 HB2 ASP 37 HB2 ASP 37 12.617 8.989 -16.328 279 HB3 ASP 37 HB3 ASP 37 13.910 9.537 -17.392 280 H SER 38 H SER 38 16.093 6.420 -17.680 281 HA SER 38 HA SER 38 18.087 8.570 -17.439 282 HB2 SER 38 HB2 SER 38 19.788 6.604 -17.327 283 HB3 SER 38 HB3 SER 38 18.912 7.053 -15.864 284 HG SER 38 HG SER 38 18.258 4.936 -17.640 285 H SER 39 H SER 39 17.687 9.234 -19.555 286 HA SER 39 HA SER 39 18.129 7.286 -21.695 287 HB2 SER 39 HB2 SER 39 16.168 8.959 -21.665 288 HB3 SER 39 HB3 SER 39 17.372 10.176 -22.089 289 HG SER 39 HG SER 39 16.540 7.917 -23.562 290 H GLU 40 H GLU 40 19.298 10.468 -20.625 291 HA GLU 40 HA GLU 40 21.963 9.834 -21.521 292 HB2 GLU 40 HB2 GLU 40 20.300 11.074 -23.360 293 HB3 GLU 40 HB3 GLU 40 21.205 12.409 -22.660 294 HG2 GLU 40 HG2 GLU 40 22.893 11.923 -23.994 295 HG3 GLU 40 HG3 GLU 40 23.070 10.374 -23.171 296 H ILE 41 H ILE 41 23.526 11.520 -20.924 297 HA ILE 41 HA ILE 41 23.206 12.399 -18.309 298 HB ILE 41 HB ILE 41 25.405 12.142 -19.322 299 HG12 ILE 41 HG12 ILE 41 24.946 15.016 -18.496 300 HG13 ILE 41 HG13 ILE 41 25.089 13.667 -17.375 301 HG21 ILE 41 HG21 ILE 41 26.276 13.610 -20.978 302 HG22 ILE 41 HG22 ILE 41 24.710 13.044 -21.558 303 HG23 ILE 41 HG23 ILE 41 24.865 14.663 -20.876 304 HD11 ILE 41 HD11 ILE 41 27.139 15.188 -17.917 305 HD12 ILE 41 HD12 ILE 41 27.338 13.447 -17.716 306 HD13 ILE 41 HD13 ILE 41 27.274 14.147 -19.333 307 H HIS 42 H HIS 42 22.056 13.782 -21.218 308 HA HIS 42 HA HIS 42 21.994 16.496 -20.671 309 HB2 HIS 42 HB2 HIS 42 20.059 14.732 -22.168 310 HB3 HIS 42 HB3 HIS 42 19.867 16.481 -22.084 311 HD1 HIS 42 HD1 HIS 42 23.115 14.599 -22.601 312 HD2 HIS 42 HD2 HIS 42 20.558 17.168 -24.632 313 HE1 HIS 42 HE1 HIS 42 24.304 15.178 -24.741 314 H TRP 43 H TRP 43 19.630 14.005 -19.763 315 HA TRP 43 HA TRP 43 18.878 15.537 -17.433 316 HB2 TRP 43 HB2 TRP 43 16.484 15.619 -17.976 317 HB3 TRP 43 HB3 TRP 43 17.433 16.534 -19.145 318 HD1 TRP 43 HD1 TRP 43 17.409 15.717 -21.650 319 HE1 TRP 43 HE1 TRP 43 16.007 13.972 -22.919 320 HE3 TRP 43 HE3 TRP 43 15.336 13.285 -17.660 321 HZ2 TRP 43 HZ2 TRP 43 14.253 11.846 -22.310 322 HZ3 TRP 43 HZ3 TRP 43 13.806 11.407 -18.089 323 HH2 TRP 43 HH2 TRP 43 13.276 10.704 -20.367 324 H TRP 44 H TRP 44 18.486 14.187 -15.801 325 HA TRP 44 HA TRP 44 17.697 11.421 -16.441 326 HB2 TRP 44 HB2 TRP 44 19.888 12.463 -14.746 327 HB3 TRP 44 HB3 TRP 44 18.974 11.114 -14.077 328 HD1 TRP 44 HD1 TRP 44 19.590 11.315 -17.841 329 HE1 TRP 44 HE1 TRP 44 21.161 9.394 -18.525 330 HE3 TRP 44 HE3 TRP 44 20.837 9.592 -13.192 331 HZ2 TRP 44 HZ2 TRP 44 22.721 7.410 -17.261 332 HZ3 TRP 44 HZ3 TRP 44 22.374 7.678 -13.017 333 HH2 TRP 44 HH2 TRP 44 23.295 6.611 -15.010 334 H ARG 45 H ARG 45 15.737 10.974 -15.702 335 HA ARG 45 HA ARG 45 14.482 12.613 -13.696 336 HB2 ARG 45 HB2 ARG 45 13.613 10.917 -15.782 337 HB3 ARG 45 HB3 ARG 45 12.986 10.234 -14.288 338 HG2 ARG 45 HG2 ARG 45 12.294 12.739 -13.839 339 HG3 ARG 45 HG3 ARG 45 12.368 12.822 -15.600 340 HD2 ARG 45 HD2 ARG 45 10.983 10.451 -14.644 341 HD3 ARG 45 HD3 ARG 45 10.229 11.945 -14.091 342 HE ARG 45 HE ARG 45 10.659 12.349 -16.753 343 HH11 ARG 45 HH11 ARG 45 9.016 9.925 -14.869 344 HH12 ARG 45 HH12 ARG 45 7.846 9.576 -16.098 345 HH21 ARG 45 HH21 ARG 45 9.124 11.898 -18.379 346 HH22 ARG 45 HH22 ARG 45 7.909 10.698 -18.095 347 H VAL 46 H VAL 46 14.635 12.296 -11.584 348 HA VAL 46 HA VAL 46 14.857 9.556 -10.558 349 HB VAL 46 HB VAL 46 16.568 10.165 -8.965 350 HG11 VAL 46 HG11 VAL 46 16.990 9.743 -11.605 351 HG12 VAL 46 HG12 VAL 46 17.844 11.269 -11.373 352 HG13 VAL 46 HG13 VAL 46 18.274 9.861 -10.402 353 HG21 VAL 46 HG21 VAL 46 16.427 12.903 -10.221 354 HG22 VAL 46 HG22 VAL 46 16.012 12.471 -8.562 355 HG23 VAL 46 HG23 VAL 46 17.688 12.379 -9.104 356 H GLN 47 H GLN 47 14.537 9.534 -8.119 357 HA GLN 47 HA GLN 47 12.602 11.604 -7.320 358 HB2 GLN 47 HB2 GLN 47 11.317 9.659 -7.880 359 HB3 GLN 47 HB3 GLN 47 12.395 8.614 -6.965 360 HG2 GLN 47 HG2 GLN 47 11.529 9.257 -4.941 361 HG3 GLN 47 HG3 GLN 47 10.963 10.810 -5.555 362 HE21 GLN 47 HE21 GLN 47 8.867 10.688 -4.967 363 HE22 GLN 47 HE22 GLN 47 7.758 9.502 -5.556 364 H ASP 48 H ASP 48 12.526 12.131 -5.122 365 HA ASP 48 HA ASP 48 15.010 11.639 -3.709 366 HB2 ASP 48 HB2 ASP 48 12.650 13.330 -2.864 367 HB3 ASP 48 HB3 ASP 48 14.271 13.363 -2.175 368 H ARG 49 H ARG 49 14.510 11.602 -1.128 369 HA ARG 49 HA ARG 49 13.157 9.046 -0.745 370 HB2 ARG 49 HB2 ARG 49 14.285 8.969 1.403 371 HB3 ARG 49 HB3 ARG 49 15.443 9.348 0.135 372 HG2 ARG 49 HG2 ARG 49 14.912 11.822 0.829 373 HG3 ARG 49 HG3 ARG 49 14.414 11.057 2.339 374 HD2 ARG 49 HD2 ARG 49 17.042 10.338 1.120 375 HD3 ARG 49 HD3 ARG 49 16.883 11.855 2.004 376 HE ARG 49 HE ARG 49 16.898 9.193 3.105 377 HH11 ARG 49 HH11 ARG 49 15.983 12.515 3.604 378 HH12 ARG 49 HH12 ARG 49 15.961 12.385 5.331 379 HH21 ARG 49 HH21 ARG 49 16.872 9.010 5.379 380 HH22 ARG 49 HH22 ARG 49 16.467 10.392 6.340 381 H ASN 50 H ASN 50 11.911 11.867 -0.994 382 HA ASN 50 HA ASN 50 10.272 11.704 1.450 383 HB2 ASN 50 HB2 ASN 50 10.675 14.174 -0.243 384 HB3 ASN 50 HB3 ASN 50 9.921 14.073 1.345 385 HD21 ASN 50 HD21 ASN 50 12.947 13.815 -0.402 386 HD22 ASN 50 HD22 ASN 50 13.973 14.131 0.952 387 H GLY 51 H GLY 51 10.322 11.813 -2.015 388 HA2 GLY 51 HA2 GLY 51 8.379 10.646 -3.043 389 HA3 GLY 51 HA3 GLY 51 7.369 11.660 -2.023 390 H HIS 52 H HIS 52 10.235 12.874 -3.610 391 HA HIS 52 HA HIS 52 8.505 14.416 -5.431 392 HB2 HIS 52 HB2 HIS 52 11.153 15.329 -4.294 393 HB3 HIS 52 HB3 HIS 52 10.017 16.284 -5.243 394 HD1 HIS 52 HD1 HIS 52 10.895 15.422 -1.817 395 HD2 HIS 52 HD2 HIS 52 7.525 16.820 -3.806 396 HE1 HIS 52 HE1 HIS 52 9.394 16.351 -0.026 397 H GLU 53 H GLU 53 8.882 14.182 -7.537 398 HA GLU 53 HA GLU 53 11.423 12.938 -8.359 399 HB2 GLU 53 HB2 GLU 53 8.855 12.812 -9.929 400 HB3 GLU 53 HB3 GLU 53 10.295 11.822 -10.118 401 HG2 GLU 53 HG2 GLU 53 9.804 10.960 -7.771 402 HG3 GLU 53 HG3 GLU 53 8.216 11.701 -7.964 403 H GLY 54 H GLY 54 12.604 13.861 -9.966 404 HA2 GLY 54 HA2 GLY 54 11.490 15.911 -11.669 405 HA3 GLY 54 HA3 GLY 54 12.613 16.523 -10.464 406 H TYR 55 H TYR 55 13.596 17.156 -12.660 407 HA TYR 55 HA TYR 55 15.182 14.971 -13.797 408 HB2 TYR 55 HB2 TYR 55 14.710 17.798 -14.761 409 HB3 TYR 55 HB3 TYR 55 15.742 16.628 -15.576 410 HD1 TYR 55 HD1 TYR 55 12.240 17.240 -14.497 411 HD2 TYR 55 HD2 TYR 55 14.832 15.082 -17.091 412 HE1 TYR 55 HE1 TYR 55 10.289 16.388 -15.729 413 HE2 TYR 55 HE2 TYR 55 12.888 14.225 -18.330 414 HH TYR 55 HH TYR 55 10.494 14.954 -18.732 415 H VAL 56 H VAL 56 17.405 14.976 -13.819 416 HA VAL 56 HA VAL 56 18.871 17.202 -12.673 417 HB VAL 56 HB VAL 56 20.073 15.605 -11.082 418 HG11 VAL 56 HG11 VAL 56 17.218 16.083 -10.298 419 HG12 VAL 56 HG12 VAL 56 18.676 16.198 -9.309 420 HG13 VAL 56 HG13 VAL 56 18.342 17.422 -10.535 421 HG21 VAL 56 HG21 VAL 56 19.190 13.519 -11.964 422 HG22 VAL 56 HG22 VAL 56 18.740 13.707 -10.269 423 HG23 VAL 56 HG23 VAL 56 17.551 14.011 -11.536 424 HA PRO 57 HA PRO 57 22.007 15.865 -15.440 425 HB2 PRO 57 HB2 PRO 57 24.248 16.669 -14.136 426 HB3 PRO 57 HB3 PRO 57 23.132 17.798 -14.914 427 HG2 PRO 57 HG2 PRO 57 23.352 17.039 -12.026 428 HG3 PRO 57 HG3 PRO 57 23.118 18.642 -12.747 429 HD2 PRO 57 HD2 PRO 57 21.080 17.212 -11.682 430 HD3 PRO 57 HD3 PRO 57 20.858 18.311 -13.059 431 H SER 58 H SER 58 22.909 13.949 -15.857 432 HA SER 58 HA SER 58 23.176 11.977 -13.806 433 HB2 SER 58 HB2 SER 58 22.493 11.479 -16.167 434 HB3 SER 58 HB3 SER 58 24.149 11.823 -16.668 435 HG SER 58 HG SER 58 24.467 9.795 -16.228 436 H SER 59 H SER 59 25.342 14.151 -15.452 437 HA SER 59 HA SER 59 27.791 12.915 -14.970 438 HB2 SER 59 HB2 SER 59 26.910 15.410 -15.950 439 HB3 SER 59 HB3 SER 59 28.039 15.766 -14.642 440 HG SER 59 HG SER 59 29.246 15.528 -16.477 441 H TYR 60 H TYR 60 25.613 14.454 -12.796 442 HA TYR 60 HA TYR 60 27.656 14.473 -10.679 443 HB2 TYR 60 HB2 TYR 60 24.976 15.873 -10.787 444 HB3 TYR 60 HB3 TYR 60 26.114 15.958 -9.446 445 HD1 TYR 60 HD2 TYR 60 25.955 16.593 -13.124 446 HD2 TYR 60 HD1 TYR 60 27.608 17.722 -9.370 447 HE1 TYR 60 HE2 TYR 60 27.065 18.509 -14.195 448 HE2 TYR 60 HE1 TYR 60 28.722 19.642 -10.430 449 HH TYR 60 HH TYR 60 28.509 21.033 -12.404 450 H LEU 61 H LEU 61 25.980 12.190 -11.781 451 HA LEU 61 HA LEU 61 25.058 11.227 -9.168 452 HB2 LEU 61 HB2 LEU 61 23.531 11.272 -11.740 453 HB3 LEU 61 HB3 LEU 61 23.223 10.014 -10.546 454 HG LEU 61 HG LEU 61 23.042 12.939 -9.871 455 HD11 LEU 61 HD11 LEU 61 20.594 12.685 -10.180 456 HD12 LEU 61 HD12 LEU 61 20.890 11.130 -10.955 457 HD13 LEU 61 HD13 LEU 61 21.508 12.611 -11.686 458 HD21 LEU 61 HD21 LEU 61 22.668 12.151 -7.833 459 HD22 LEU 61 HD22 LEU 61 22.807 10.493 -8.418 460 HD23 LEU 61 HD23 LEU 61 21.242 11.307 -8.437 461 H VAL 62 H VAL 62 25.680 9.200 -8.696 462 HA VAL 62 HA VAL 62 26.995 7.657 -10.835 463 HB VAL 62 HB VAL 62 28.436 8.449 -8.917 464 HG11 VAL 62 HG11 VAL 62 26.419 7.697 -7.316 465 HG12 VAL 62 HG12 VAL 62 27.420 6.246 -7.232 466 HG13 VAL 62 HG13 VAL 62 28.093 7.811 -6.775 467 HG21 VAL 62 HG21 VAL 62 28.378 5.459 -8.980 468 HG22 VAL 62 HG22 VAL 62 28.767 6.372 -10.438 469 HG23 VAL 62 HG23 VAL 62 29.763 6.551 -8.993 470 H GLU 63 H GLU 63 26.409 5.578 -11.199 471 HA GLU 63 HA GLU 63 23.887 4.680 -10.322 472 HB2 GLU 63 HB2 GLU 63 25.676 3.965 -12.314 473 HB3 GLU 63 HB3 GLU 63 25.647 2.555 -11.265 474 HG2 GLU 63 HG2 GLU 63 23.067 2.824 -11.423 475 HG3 GLU 63 HG3 GLU 63 23.442 3.770 -12.862 476 H LYS 64 H LYS 64 23.385 3.963 -8.370 477 HA LYS 64 HA LYS 64 25.393 2.989 -6.551 478 HB2 LYS 64 HB2 LYS 64 23.389 4.404 -5.910 479 HB3 LYS 64 HB3 LYS 64 22.402 2.968 -6.149 480 HG2 LYS 64 HG2 LYS 64 24.741 2.665 -4.377 481 HG3 LYS 64 HG3 LYS 64 23.425 3.680 -3.783 482 HD2 LYS 64 HD2 LYS 64 21.865 1.779 -4.364 483 HD3 LYS 64 HD3 LYS 64 23.303 0.790 -4.625 484 HE2 LYS 64 HE2 LYS 64 23.999 1.460 -2.274 485 HE3 LYS 64 HE3 LYS 64 22.360 2.079 -2.076 486 HZ1 LYS 64 HZ1 LYS 64 22.961 -0.712 -2.878 487 HZ2 LYS 64 HZ2 LYS 64 21.468 -0.077 -2.399 488 HZ3 LYS 64 HZ3 LYS 64 22.719 -0.239 -1.272 489 H SER 65 H SER 65 26.188 1.043 -7.216 490 HA SER 65 HA SER 65 24.308 -1.207 -7.123 491 HB2 SER 65 HB2 SER 65 24.544 -1.525 -9.336 492 HB3 SER 65 HB3 SER 65 25.833 -0.325 -9.440 493 HG SER 65 HG SER 65 26.553 -2.427 -10.004 494 HA PRO 66 HA PRO 66 27.278 -3.219 -4.600 495 HB2 PRO 66 HB2 PRO 66 27.081 -5.804 -5.407 496 HB3 PRO 66 HB3 PRO 66 25.824 -4.993 -4.466 497 HG2 PRO 66 HG2 PRO 66 25.956 -5.493 -7.414 498 HG3 PRO 66 HG3 PRO 66 24.578 -5.665 -6.311 499 HD2 PRO 66 HD2 PRO 66 24.895 -3.511 -7.921 500 HD3 PRO 66 HD3 PRO 66 24.123 -3.406 -6.326 Start of MODEL 11 1 H1 GLY 1 H GLY 1 5.214 1.377 -2.225 2 HA2 GLY 1 HA2 GLY 1 3.848 -0.941 -1.012 3 HA3 GLY 1 HA3 GLY 1 3.116 0.656 -0.978 4 HA PRO 2 HA PRO 2 1.548 -1.596 -4.719 5 HB2 PRO 2 HB2 PRO 2 -1.057 -0.956 -4.304 6 HB3 PRO 2 HB3 PRO 2 -0.289 -2.373 -3.579 7 HG2 PRO 2 HG2 PRO 2 -0.838 0.311 -2.371 8 HG3 PRO 2 HG3 PRO 2 -1.054 -1.300 -1.662 9 HD2 PRO 2 HD2 PRO 2 1.082 0.266 -1.098 10 HD3 PRO 2 HD3 PRO 2 1.181 -1.506 -1.137 11 H LEU 3 H LEU 3 1.214 -0.644 -6.663 12 HA LEU 3 HA LEU 3 1.159 1.000 -8.236 13 HB2 LEU 3 HB2 LEU 3 -0.989 1.639 -6.316 14 HB3 LEU 3 HB3 LEU 3 -0.519 2.939 -7.410 15 HG LEU 3 HG LEU 3 -2.422 1.738 -8.298 16 HD11 LEU 3 HD11 LEU 3 -1.650 1.436 -10.482 17 HD12 LEU 3 HD12 LEU 3 -0.064 0.885 -9.943 18 HD13 LEU 3 HD13 LEU 3 -0.512 2.582 -9.773 19 HD21 LEU 3 HD21 LEU 3 -0.976 -0.754 -8.839 20 HD22 LEU 3 HD22 LEU 3 -2.647 -0.494 -8.339 21 HD23 LEU 3 HD23 LEU 3 -1.354 -0.478 -7.139 22 H GLY 4 H GLY 4 3.399 1.511 -7.658 23 HA2 GLY 4 HA2 GLY 4 3.606 4.192 -6.428 24 HA3 GLY 4 HA3 GLY 4 4.836 2.953 -6.228 25 H SER 5 H SER 5 6.526 4.056 -7.131 26 HA SER 5 HA SER 5 6.226 4.845 -9.953 27 HB2 SER 5 HB2 SER 5 7.675 6.041 -7.671 28 HB3 SER 5 HB3 SER 5 8.551 6.030 -9.202 29 HG SER 5 HG SER 5 6.482 6.928 -10.071 30 HA PRO 6 HA PRO 6 9.160 1.862 -11.267 31 HB2 PRO 6 HB2 PRO 6 10.578 3.219 -13.142 32 HB3 PRO 6 HB3 PRO 6 8.910 2.691 -13.395 33 HG2 PRO 6 HG2 PRO 6 9.945 5.387 -12.606 34 HG3 PRO 6 HG3 PRO 6 8.675 4.974 -13.772 35 HD2 PRO 6 HD2 PRO 6 8.125 5.827 -11.262 36 HD3 PRO 6 HD3 PRO 6 7.086 4.678 -12.128 37 H GLU 7 H GLU 7 10.196 1.989 -9.077 38 HA GLU 7 HA GLU 7 12.837 3.284 -9.190 39 HB2 GLU 7 HB2 GLU 7 11.454 2.245 -6.719 40 HB3 GLU 7 HB3 GLU 7 12.859 3.298 -6.801 41 HG2 GLU 7 HG2 GLU 7 10.127 4.070 -7.790 42 HG3 GLU 7 HG3 GLU 7 10.732 4.431 -6.174 43 H GLU 8 H GLU 8 14.030 1.734 -10.234 44 HA GLU 8 HA GLU 8 14.259 -0.862 -8.857 45 HB2 GLU 8 HB2 GLU 8 15.062 -1.701 -11.139 46 HB3 GLU 8 HB3 GLU 8 13.342 -1.387 -10.954 47 HG2 GLU 8 HG2 GLU 8 14.042 -0.546 -13.071 48 HG3 GLU 8 HG3 GLU 8 13.679 0.823 -12.020 49 H THR 9 H THR 9 15.755 1.979 -9.228 50 HA THR 9 HA THR 9 18.324 0.909 -8.508 51 HB THR 9 HB THR 9 18.183 2.567 -11.031 52 HG1 THR 9 HG1 THR 9 18.798 -0.204 -10.772 53 HG21 THR 9 HG21 THR 9 20.350 1.603 -9.282 54 HG22 THR 9 HG22 THR 9 20.304 2.988 -10.374 55 HG23 THR 9 HG23 THR 9 20.612 1.372 -11.010 56 H VAL 10 H VAL 10 19.731 2.478 -7.632 57 HA VAL 10 HA VAL 10 18.478 5.106 -7.162 58 HB VAL 10 HB VAL 10 20.350 3.744 -5.233 59 HG11 VAL 10 HG11 VAL 10 20.236 6.092 -4.881 60 HG12 VAL 10 HG12 VAL 10 18.479 6.096 -5.043 61 HG13 VAL 10 HG13 VAL 10 19.234 5.337 -3.641 62 HG21 VAL 10 HG21 VAL 10 17.540 3.197 -5.761 63 HG22 VAL 10 HG22 VAL 10 18.708 2.288 -4.803 64 HG23 VAL 10 HG23 VAL 10 17.849 3.650 -4.085 65 H VAL 11 H VAL 11 19.923 6.896 -6.846 66 HA VAL 11 HA VAL 11 22.621 6.480 -7.953 67 HB VAL 11 HB VAL 11 22.433 8.647 -9.126 68 HG11 VAL 11 HG11 VAL 11 21.128 7.855 -10.979 69 HG12 VAL 11 HG12 VAL 11 21.963 6.480 -10.255 70 HG13 VAL 11 HG13 VAL 11 20.247 6.737 -9.938 71 HG21 VAL 11 HG21 VAL 11 20.245 9.687 -9.426 72 HG22 VAL 11 HG22 VAL 11 19.522 8.499 -8.341 73 HG23 VAL 11 HG23 VAL 11 20.702 9.656 -7.723 74 H ILE 12 H ILE 12 24.254 7.736 -7.105 75 HA ILE 12 HA ILE 12 23.566 9.171 -4.637 76 HB ILE 12 HB ILE 12 26.350 8.375 -5.442 77 HG12 ILE 12 HG12 ILE 12 24.317 6.693 -3.962 78 HG13 ILE 12 HG13 ILE 12 25.000 6.344 -5.546 79 HG21 ILE 12 HG21 ILE 12 25.577 8.275 -2.637 80 HG22 ILE 12 HG22 ILE 12 26.943 9.079 -3.408 81 HG23 ILE 12 HG23 ILE 12 25.369 9.872 -3.356 82 HD11 ILE 12 HD11 ILE 12 27.185 6.651 -3.835 83 HD12 ILE 12 HD12 ILE 12 26.003 5.690 -2.946 84 HD13 ILE 12 HD13 ILE 12 26.560 5.156 -4.532 85 H ALA 13 H ALA 13 23.968 11.293 -4.387 86 HA ALA 13 HA ALA 13 24.661 12.848 -6.697 87 HB1 ALA 13 HB1 ALA 13 23.125 14.016 -5.507 88 HB2 ALA 13 HB2 ALA 13 23.698 13.405 -3.954 89 HB3 ALA 13 HB3 ALA 13 24.579 14.695 -4.774 90 H LEU 14 H LEU 14 26.595 13.609 -7.262 91 HA LEU 14 HA LEU 14 28.866 13.096 -5.510 92 HB2 LEU 14 HB2 LEU 14 29.043 14.274 -8.257 93 HB3 LEU 14 HB3 LEU 14 30.231 13.305 -7.388 94 HG LEU 14 HG LEU 14 27.652 12.286 -8.580 95 HD11 LEU 14 HD11 LEU 14 30.442 12.454 -9.557 96 HD12 LEU 14 HD12 LEU 14 28.921 12.507 -10.447 97 HD13 LEU 14 HD13 LEU 14 29.558 10.963 -9.882 98 HD21 LEU 14 HD21 LEU 14 29.099 11.245 -6.462 99 HD22 LEU 14 HD22 LEU 14 29.669 10.333 -7.859 100 HD23 LEU 14 HD23 LEU 14 27.948 10.375 -7.476 101 H TYR 15 H TYR 15 27.020 15.747 -6.805 102 HA TYR 15 HA TYR 15 28.443 17.579 -5.048 103 HB2 TYR 15 HB2 TYR 15 28.096 18.202 -7.987 104 HB3 TYR 15 HB3 TYR 15 28.853 19.230 -6.776 105 HD1 TYR 15 HD2 TYR 15 31.082 18.711 -5.919 106 HD2 TYR 15 HD1 TYR 15 29.268 16.305 -8.923 107 HE1 TYR 15 HE2 TYR 15 33.266 17.694 -6.415 108 HE2 TYR 15 HE1 TYR 15 31.447 15.280 -9.427 109 HH TYR 15 HH TYR 15 33.599 14.907 -8.345 110 H ASP 16 H ASP 16 27.281 19.517 -4.606 111 HA ASP 16 HA ASP 16 24.467 19.156 -4.502 112 HB2 ASP 16 HB2 ASP 16 24.484 21.522 -3.609 113 HB3 ASP 16 HB3 ASP 16 25.491 20.376 -2.727 114 H TYR 17 H TYR 17 23.634 18.997 -6.568 115 HA TYR 17 HA TYR 17 24.165 21.003 -8.560 116 HB2 TYR 17 HB2 TYR 17 23.748 18.760 -9.319 117 HB3 TYR 17 HB3 TYR 17 22.213 18.699 -8.461 118 HD1 TYR 17 HD1 TYR 17 23.955 20.589 -11.165 119 HD2 TYR 17 HD2 TYR 17 20.251 19.201 -9.598 120 HE1 TYR 17 HE1 TYR 17 22.805 21.401 -13.182 121 HE2 TYR 17 HE2 TYR 17 19.091 20.007 -11.611 122 HH TYR 17 HH TYR 17 19.493 21.763 -13.387 123 H GLN 18 H GLN 18 22.726 22.537 -9.371 124 HA GLN 18 HA GLN 18 20.260 23.000 -7.860 125 HB2 GLN 18 HB2 GLN 18 22.591 24.854 -8.099 126 HB3 GLN 18 HB3 GLN 18 20.969 25.532 -8.055 127 HG2 GLN 18 HG2 GLN 18 20.612 24.207 -5.935 128 HG3 GLN 18 HG3 GLN 18 22.346 23.890 -5.954 129 HE21 GLN 18 HE21 GLN 18 21.949 25.020 -3.808 130 HE22 GLN 18 HE22 GLN 18 22.158 26.735 -3.800 131 H THR 19 H THR 19 18.611 23.301 -9.194 132 HA THR 19 HA THR 19 19.117 23.807 -12.011 133 HB THR 19 HB THR 19 17.540 22.050 -11.531 134 HG1 THR 19 HG1 THR 19 15.560 23.242 -12.481 135 HG21 THR 19 HG21 THR 19 16.356 24.093 -9.725 136 HG22 THR 19 HG22 THR 19 16.563 22.358 -9.488 137 HG23 THR 19 HG23 THR 19 15.260 22.959 -10.512 138 H ASN 20 H ASN 20 17.768 25.373 -13.197 139 HA ASN 20 HA ASN 20 17.621 27.883 -11.709 140 HB2 ASN 20 HB2 ASN 20 18.873 28.119 -13.702 141 HB3 ASN 20 HB3 ASN 20 17.693 27.216 -14.647 142 HD21 ASN 20 HD21 ASN 20 17.608 30.019 -12.466 143 HD22 ASN 20 HD22 ASN 20 16.724 31.041 -13.543 144 H ASP 21 H ASP 21 15.596 25.531 -13.243 145 HA ASP 21 HA ASP 21 13.246 27.217 -12.674 146 HB2 ASP 21 HB2 ASP 21 13.897 25.493 -15.015 147 HB3 ASP 21 HB3 ASP 21 12.219 25.545 -14.481 148 HA PRO 22 HA PRO 22 11.666 24.091 -10.037 149 HB2 PRO 22 HB2 PRO 22 9.008 24.148 -10.589 150 HB3 PRO 22 HB3 PRO 22 9.833 25.434 -9.700 151 HG2 PRO 22 HG2 PRO 22 9.057 25.325 -12.590 152 HG3 PRO 22 HG3 PRO 22 8.915 26.670 -11.443 153 HD2 PRO 22 HD2 PRO 22 10.917 26.510 -13.259 154 HD3 PRO 22 HD3 PRO 22 11.132 27.259 -11.664 155 H GLN 23 H GLN 23 11.249 23.804 -13.445 156 HA GLN 23 HA GLN 23 9.869 21.384 -13.642 157 HB2 GLN 23 HB2 GLN 23 10.693 23.085 -15.469 158 HB3 GLN 23 HB3 GLN 23 12.092 22.022 -15.539 159 HG2 GLN 23 HG2 GLN 23 10.410 21.474 -17.231 160 HG3 GLN 23 HG3 GLN 23 10.692 20.145 -16.107 161 HE21 GLN 23 HE21 GLN 23 8.818 19.104 -16.014 162 HE22 GLN 23 HE22 GLN 23 7.290 19.821 -15.650 163 H GLU 24 H GLU 24 13.329 22.032 -13.259 164 HA GLU 24 HA GLU 24 13.845 19.157 -13.047 165 HB2 GLU 24 HB2 GLU 24 15.972 21.266 -12.909 166 HB3 GLU 24 HB3 GLU 24 16.095 19.605 -13.472 167 HG2 GLU 24 HG2 GLU 24 14.745 21.891 -14.887 168 HG3 GLU 24 HG3 GLU 24 16.260 21.111 -15.337 169 H LEU 25 H LEU 25 15.374 18.458 -11.317 170 HA LEU 25 HA LEU 25 14.681 19.798 -8.794 171 HB2 LEU 25 HB2 LEU 25 14.607 17.086 -9.620 172 HB3 LEU 25 HB3 LEU 25 15.833 17.232 -8.363 173 HG LEU 25 HG LEU 25 14.183 18.148 -6.830 174 HD11 LEU 25 HD11 LEU 25 12.667 18.492 -9.261 175 HD12 LEU 25 HD12 LEU 25 12.426 19.213 -7.670 176 HD13 LEU 25 HD13 LEU 25 11.733 17.633 -8.036 177 HD21 LEU 25 HD21 LEU 25 12.612 15.868 -7.708 178 HD22 LEU 25 HD22 LEU 25 13.549 16.096 -6.231 179 HD23 LEU 25 HD23 LEU 25 14.344 15.534 -7.702 180 H ALA 26 H ALA 26 16.402 19.275 -7.021 181 HA ALA 26 HA ALA 26 19.053 19.892 -8.155 182 HB1 ALA 26 HB1 ALA 26 17.505 21.156 -6.026 183 HB2 ALA 26 HB2 ALA 26 19.171 20.791 -5.573 184 HB3 ALA 26 HB3 ALA 26 18.841 21.789 -6.989 185 H LEU 27 H LEU 27 20.899 19.055 -7.064 186 HA LEU 27 HA LEU 27 20.321 16.592 -5.562 187 HB2 LEU 27 HB2 LEU 27 22.787 17.315 -7.138 188 HB3 LEU 27 HB3 LEU 27 22.481 15.778 -6.332 189 HG LEU 27 HG LEU 27 20.644 16.744 -8.490 190 HD11 LEU 27 HD11 LEU 27 22.267 16.663 -10.002 191 HD12 LEU 27 HD12 LEU 27 22.410 14.939 -9.663 192 HD13 LEU 27 HD13 LEU 27 23.434 16.093 -8.810 193 HD21 LEU 27 HD21 LEU 27 20.254 14.369 -8.785 194 HD22 LEU 27 HD22 LEU 27 20.001 14.822 -7.099 195 HD23 LEU 27 HD23 LEU 27 21.484 13.994 -7.577 196 H ARG 28 H ARG 28 21.816 15.983 -3.863 197 HA ARG 28 HA ARG 28 23.208 18.274 -2.647 198 HB2 ARG 28 HB2 ARG 28 21.368 16.284 -1.323 199 HB3 ARG 28 HB3 ARG 28 22.502 17.275 -0.415 200 HG2 ARG 28 HG2 ARG 28 20.580 18.573 -2.292 201 HG3 ARG 28 HG3 ARG 28 20.037 18.040 -0.700 202 HD2 ARG 28 HD2 ARG 28 22.451 19.790 -1.099 203 HD3 ARG 28 HD3 ARG 28 20.827 20.442 -0.882 204 HE ARG 28 HE ARG 28 21.153 18.758 1.231 205 HH11 ARG 28 HH11 ARG 28 22.951 21.453 -0.043 206 HH12 ARG 28 HH12 ARG 28 23.565 21.941 1.502 207 HH21 ARG 28 HH21 ARG 28 21.955 19.390 3.270 208 HH22 ARG 28 HH22 ARG 28 22.999 20.767 3.386 209 H ARG 29 H ARG 29 25.251 17.890 -2.073 210 HA ARG 29 HA ARG 29 26.651 15.626 -2.788 211 HB2 ARG 29 HB2 ARG 29 27.533 17.933 -2.089 212 HB3 ARG 29 HB3 ARG 29 27.454 17.329 -0.439 213 HG2 ARG 29 HG2 ARG 29 28.905 15.402 -1.237 214 HG3 ARG 29 HG3 ARG 29 29.172 16.358 -2.697 215 HD2 ARG 29 HD2 ARG 29 30.235 18.081 -1.499 216 HD3 ARG 29 HD3 ARG 29 29.647 17.477 0.049 217 HE ARG 29 HE ARG 29 31.281 15.535 -1.180 218 HH11 ARG 29 HH11 ARG 29 31.464 18.621 0.420 219 HH12 ARG 29 HH12 ARG 29 33.073 18.367 1.009 220 HH21 ARG 29 HH21 ARG 29 33.400 15.189 -0.410 221 HH22 ARG 29 HH22 ARG 29 34.174 16.415 0.535 222 H ASN 30 H ASN 30 27.072 13.684 -1.901 223 HA ASN 30 HA ASN 30 26.958 11.892 -0.505 224 HB2 ASN 30 HB2 ASN 30 26.522 13.793 1.791 225 HB3 ASN 30 HB3 ASN 30 27.309 12.218 1.810 226 HD21 ASN 30 HD21 ASN 30 27.817 15.467 1.857 227 HD22 ASN 30 HD22 ASN 30 29.463 15.507 1.331 228 H GLU 31 H GLU 31 24.711 12.194 -1.810 229 HA GLU 31 HA GLU 31 22.679 11.436 0.137 230 HB2 GLU 31 HB2 GLU 31 22.621 13.985 -0.681 231 HB3 GLU 31 HB3 GLU 31 21.745 13.255 -2.020 232 HG2 GLU 31 HG2 GLU 31 20.087 13.894 -0.520 233 HG3 GLU 31 HG3 GLU 31 20.279 12.163 -0.247 234 H GLU 32 H GLU 32 20.800 10.393 -0.883 235 HA GLU 32 HA GLU 32 21.561 9.087 -3.412 236 HB2 GLU 32 HB2 GLU 32 20.385 8.044 -0.894 237 HB3 GLU 32 HB3 GLU 32 19.783 7.352 -2.394 238 HG2 GLU 32 HG2 GLU 32 21.492 5.925 -2.048 239 HG3 GLU 32 HG3 GLU 32 22.392 7.184 -2.893 240 H TYR 33 H TYR 33 19.837 8.492 -4.857 241 HA TYR 33 HA TYR 33 17.268 9.812 -4.440 242 HB2 TYR 33 HB2 TYR 33 19.088 10.374 -6.788 243 HB3 TYR 33 HB3 TYR 33 17.385 10.818 -6.735 244 HD1 TYR 33 HD1 TYR 33 16.611 12.612 -5.276 245 HD2 TYR 33 HD2 TYR 33 20.731 11.571 -5.473 246 HE1 TYR 33 HE1 TYR 33 17.192 14.725 -4.159 247 HE2 TYR 33 HE2 TYR 33 21.324 13.680 -4.355 248 HH TYR 33 HH TYR 33 18.880 15.810 -3.034 249 H CYS 34 H CYS 34 15.653 8.546 -5.076 250 HA CYS 34 HA CYS 34 16.133 6.001 -6.226 251 HB2 CYS 34 HB2 CYS 34 13.467 7.409 -6.035 252 HB3 CYS 34 HB3 CYS 34 13.758 5.676 -6.112 253 HG CYS 34 HG CYS 34 13.143 5.772 -3.555 254 H LEU 35 H LEU 35 16.839 5.845 -8.264 255 HA LEU 35 HA LEU 35 16.309 7.670 -10.329 256 HB2 LEU 35 HB2 LEU 35 18.085 5.740 -10.057 257 HB3 LEU 35 HB3 LEU 35 16.881 4.816 -10.953 258 HG LEU 35 HG LEU 35 18.606 5.698 -12.430 259 HD11 LEU 35 HD11 LEU 35 16.370 7.424 -13.218 260 HD12 LEU 35 HD12 LEU 35 15.927 5.757 -12.852 261 HD13 LEU 35 HD13 LEU 35 17.144 6.096 -14.083 262 HD21 LEU 35 HD21 LEU 35 19.487 7.705 -12.100 263 HD22 LEU 35 HD22 LEU 35 18.312 8.025 -10.824 264 HD23 LEU 35 HD23 LEU 35 17.938 8.451 -12.494 265 H LEU 36 H LEU 36 14.689 7.876 -11.753 266 HA LEU 36 HA LEU 36 12.574 5.824 -11.718 267 HB2 LEU 36 HB2 LEU 36 12.426 8.810 -12.013 268 HB3 LEU 36 HB3 LEU 36 11.095 7.754 -12.481 269 HG LEU 36 HG LEU 36 11.682 6.984 -9.882 270 HD11 LEU 36 HD11 LEU 36 11.282 9.822 -9.448 271 HD12 LEU 36 HD12 LEU 36 12.847 9.473 -10.183 272 HD13 LEU 36 HD13 LEU 36 12.395 8.702 -8.662 273 HD21 LEU 36 HD21 LEU 36 9.480 7.317 -11.101 274 HD22 LEU 36 HD22 LEU 36 9.600 9.016 -10.642 275 HD23 LEU 36 HD23 LEU 36 9.515 7.769 -9.396 276 H ASP 37 H ASP 37 14.105 8.298 -13.765 277 HA ASP 37 HA ASP 37 13.772 6.499 -16.057 278 HB2 ASP 37 HB2 ASP 37 12.322 8.912 -15.681 279 HB3 ASP 37 HB3 ASP 37 13.492 9.196 -16.967 280 H SER 38 H SER 38 15.651 6.175 -17.031 281 HA SER 38 HA SER 38 17.640 8.339 -17.046 282 HB2 SER 38 HB2 SER 38 19.369 6.408 -16.813 283 HB3 SER 38 HB3 SER 38 18.545 6.988 -15.366 284 HG SER 38 HG SER 38 18.651 4.553 -16.079 285 H SER 39 H SER 39 17.358 8.841 -19.180 286 HA SER 39 HA SER 39 17.645 6.684 -21.150 287 HB2 SER 39 HB2 SER 39 16.481 9.452 -21.268 288 HB3 SER 39 HB3 SER 39 16.978 8.632 -22.749 289 HG SER 39 HG SER 39 14.875 8.070 -21.017 290 H GLU 40 H GLU 40 18.955 9.854 -20.270 291 HA GLU 40 HA GLU 40 21.551 9.120 -21.252 292 HB2 GLU 40 HB2 GLU 40 19.852 10.294 -23.104 293 HB3 GLU 40 HB3 GLU 40 20.820 11.640 -22.521 294 HG2 GLU 40 HG2 GLU 40 22.410 11.023 -23.924 295 HG3 GLU 40 HG3 GLU 40 22.632 9.565 -22.960 296 H ILE 41 H ILE 41 23.174 10.799 -20.816 297 HA ILE 41 HA ILE 41 22.964 11.845 -18.249 298 HB ILE 41 HB ILE 41 25.121 11.459 -19.318 299 HG12 ILE 41 HG12 ILE 41 24.775 14.388 -18.645 300 HG13 ILE 41 HG13 ILE 41 24.908 13.101 -17.451 301 HG21 ILE 41 HG21 ILE 41 25.977 12.816 -21.078 302 HG22 ILE 41 HG22 ILE 41 24.385 12.250 -21.579 303 HG23 ILE 41 HG23 ILE 41 24.590 13.901 -20.997 304 HD11 ILE 41 HD11 ILE 41 27.138 12.795 -17.833 305 HD12 ILE 41 HD12 ILE 41 27.049 13.386 -19.493 306 HD13 ILE 41 HD13 ILE 41 26.987 14.524 -18.147 307 H HIS 42 H HIS 42 21.746 13.071 -21.197 308 HA HIS 42 HA HIS 42 21.780 15.816 -20.831 309 HB2 HIS 42 HB2 HIS 42 19.489 14.225 -22.001 310 HB3 HIS 42 HB3 HIS 42 19.873 15.914 -22.323 311 HD1 HIS 42 HD1 HIS 42 23.022 15.272 -22.647 312 HD2 HIS 42 HD2 HIS 42 19.862 13.486 -24.666 313 HE1 HIS 42 HE1 HIS 42 24.010 14.370 -24.776 314 H TRP 43 H TRP 43 19.387 13.462 -19.668 315 HA TRP 43 HA TRP 43 18.772 15.166 -17.418 316 HB2 TRP 43 HB2 TRP 43 16.362 15.287 -17.874 317 HB3 TRP 43 HB3 TRP 43 17.288 16.093 -19.137 318 HD1 TRP 43 HD1 TRP 43 17.138 15.117 -21.579 319 HE1 TRP 43 HE1 TRP 43 15.637 13.335 -22.674 320 HE3 TRP 43 HE3 TRP 43 15.165 13.012 -17.358 321 HZ2 TRP 43 HZ2 TRP 43 13.853 11.306 -21.857 322 HZ3 TRP 43 HZ3 TRP 43 13.568 11.156 -17.602 323 HH2 TRP 43 HH2 TRP 43 12.927 10.323 -19.805 324 H TRP 44 H TRP 44 18.402 13.941 -15.686 325 HA TRP 44 HA TRP 44 17.517 11.162 -16.110 326 HB2 TRP 44 HB2 TRP 44 19.790 12.253 -14.557 327 HB3 TRP 44 HB3 TRP 44 18.869 10.970 -13.778 328 HD1 TRP 44 HD1 TRP 44 19.371 10.933 -17.566 329 HE1 TRP 44 HE1 TRP 44 20.873 8.935 -18.179 330 HE3 TRP 44 HE3 TRP 44 20.716 9.453 -12.861 331 HZ2 TRP 44 HZ2 TRP 44 22.422 6.988 -16.845 332 HZ3 TRP 44 HZ3 TRP 44 22.211 7.514 -12.616 333 HH2 TRP 44 HH2 TRP 44 23.044 6.308 -14.569 334 H ARG 45 H ARG 45 15.558 10.854 -15.303 335 HA ARG 45 HA ARG 45 14.434 12.645 -13.350 336 HB2 ARG 45 HB2 ARG 45 13.458 10.675 -15.228 337 HB3 ARG 45 HB3 ARG 45 12.720 10.445 -13.648 338 HG2 ARG 45 HG2 ARG 45 12.822 13.204 -14.729 339 HG3 ARG 45 HG3 ARG 45 11.691 12.067 -15.465 340 HD2 ARG 45 HD2 ARG 45 11.286 11.627 -12.801 341 HD3 ARG 45 HD3 ARG 45 11.632 13.355 -12.835 342 HE ARG 45 HE ARG 45 9.589 13.689 -13.789 343 HH11 ARG 45 HH11 ARG 45 10.504 10.363 -14.256 344 HH12 ARG 45 HH12 ARG 45 8.987 9.908 -14.959 345 HH21 ARG 45 HH21 ARG 45 7.588 13.103 -14.712 346 HH22 ARG 45 HH22 ARG 45 7.329 11.468 -15.218 347 H VAL 46 H VAL 46 14.738 12.448 -11.241 348 HA VAL 46 HA VAL 46 14.860 9.758 -10.066 349 HB VAL 46 HB VAL 46 16.651 10.385 -8.573 350 HG11 VAL 46 HG11 VAL 46 17.891 11.319 -11.063 351 HG12 VAL 46 HG12 VAL 46 18.277 9.925 -10.053 352 HG13 VAL 46 HG13 VAL 46 16.953 9.834 -11.215 353 HG21 VAL 46 HG21 VAL 46 16.559 13.058 -9.966 354 HG22 VAL 46 HG22 VAL 46 16.188 12.728 -8.273 355 HG23 VAL 46 HG23 VAL 46 17.839 12.547 -8.865 356 H GLN 47 H GLN 47 14.512 9.798 -7.680 357 HA GLN 47 HA GLN 47 12.735 12.015 -6.903 358 HB2 GLN 47 HB2 GLN 47 11.339 10.121 -7.343 359 HB3 GLN 47 HB3 GLN 47 12.398 9.054 -6.430 360 HG2 GLN 47 HG2 GLN 47 11.696 9.910 -4.381 361 HG3 GLN 47 HG3 GLN 47 11.017 11.361 -5.116 362 HE21 GLN 47 HE21 GLN 47 8.907 11.348 -4.852 363 HE22 GLN 47 HE22 GLN 47 7.859 9.995 -5.089 364 H ASP 48 H ASP 48 12.827 12.724 -4.788 365 HA ASP 48 HA ASP 48 15.297 12.178 -3.409 366 HB2 ASP 48 HB2 ASP 48 12.977 14.004 -2.759 367 HB3 ASP 48 HB3 ASP 48 14.444 13.895 -1.791 368 H ARG 49 H ARG 49 14.876 12.237 -0.809 369 HA ARG 49 HA ARG 49 13.500 9.715 -0.301 370 HB2 ARG 49 HB2 ARG 49 14.698 9.696 1.818 371 HB3 ARG 49 HB3 ARG 49 15.815 9.983 0.491 372 HG2 ARG 49 HG2 ARG 49 16.171 12.185 1.091 373 HG3 ARG 49 HG3 ARG 49 14.660 12.288 1.996 374 HD2 ARG 49 HD2 ARG 49 16.178 12.163 3.712 375 HD3 ARG 49 HD3 ARG 49 15.791 10.457 3.491 376 HE ARG 49 HE ARG 49 18.006 11.199 1.887 377 HH11 ARG 49 HH11 ARG 49 17.096 10.516 5.178 378 HH12 ARG 49 HH12 ARG 49 18.679 9.988 5.643 379 HH21 ARG 49 HH21 ARG 49 20.094 10.506 2.488 380 HH22 ARG 49 HH22 ARG 49 20.384 9.983 4.112 381 H ASN 50 H ASN 50 12.321 12.575 -0.576 382 HA ASN 50 HA ASN 50 10.746 12.493 1.914 383 HB2 ASN 50 HB2 ASN 50 11.177 14.928 0.176 384 HB3 ASN 50 HB3 ASN 50 10.459 14.870 1.783 385 HD21 ASN 50 HD21 ASN 50 13.431 14.521 -0.032 386 HD22 ASN 50 HD22 ASN 50 14.499 14.816 1.294 387 H GLY 51 H GLY 51 10.705 12.555 -1.552 388 HA2 GLY 51 HA2 GLY 51 8.691 11.426 -2.496 389 HA3 GLY 51 HA3 GLY 51 7.750 12.510 -1.483 390 H HIS 52 H HIS 52 10.624 13.533 -3.194 391 HA HIS 52 HA HIS 52 8.913 15.125 -4.990 392 HB2 HIS 52 HB2 HIS 52 11.650 15.884 -3.951 393 HB3 HIS 52 HB3 HIS 52 10.588 16.880 -4.943 394 HD1 HIS 52 HD1 HIS 52 11.474 16.222 -1.502 395 HD2 HIS 52 HD2 HIS 52 8.099 17.581 -3.508 396 HE1 HIS 52 HE1 HIS 52 10.050 17.329 0.251 397 H GLU 53 H GLU 53 9.092 14.621 -7.064 398 HA GLU 53 HA GLU 53 11.550 13.280 -7.975 399 HB2 GLU 53 HB2 GLU 53 8.893 13.203 -9.391 400 HB3 GLU 53 HB3 GLU 53 10.274 12.138 -9.612 401 HG2 GLU 53 HG2 GLU 53 9.862 11.467 -7.157 402 HG3 GLU 53 HG3 GLU 53 8.272 12.190 -7.395 403 H GLY 54 H GLY 54 12.693 14.090 -9.660 404 HA2 GLY 54 HA2 GLY 54 11.577 16.086 -11.423 405 HA3 GLY 54 HA3 GLY 54 12.767 16.722 -10.297 406 H TYR 55 H TYR 55 13.740 17.229 -12.497 407 HA TYR 55 HA TYR 55 15.196 14.927 -13.591 408 HB2 TYR 55 HB2 TYR 55 14.749 17.701 -14.708 409 HB3 TYR 55 HB3 TYR 55 15.725 16.462 -15.487 410 HD1 TYR 55 HD1 TYR 55 12.279 17.203 -14.310 411 HD2 TYR 55 HD2 TYR 55 14.729 14.862 -16.883 412 HE1 TYR 55 HE1 TYR 55 10.266 16.324 -15.416 413 HE2 TYR 55 HE2 TYR 55 12.723 13.977 -17.997 414 HH TYR 55 HH TYR 55 10.027 15.160 -18.145 415 H VAL 56 H VAL 56 17.417 14.879 -13.706 416 HA VAL 56 HA VAL 56 18.980 17.130 -12.755 417 HB VAL 56 HB VAL 56 20.204 15.596 -11.113 418 HG11 VAL 56 HG11 VAL 56 18.776 16.226 -9.303 419 HG12 VAL 56 HG12 VAL 56 18.705 17.505 -10.517 420 HG13 VAL 56 HG13 VAL 56 17.381 16.348 -10.375 421 HG21 VAL 56 HG21 VAL 56 18.831 13.810 -10.121 422 HG22 VAL 56 HG22 VAL 56 17.616 14.065 -11.374 423 HG23 VAL 56 HG23 VAL 56 19.225 13.487 -11.809 424 HA PRO 57 HA PRO 57 21.977 15.537 -15.538 425 HB2 PRO 57 HB2 PRO 57 24.286 16.347 -14.362 426 HB3 PRO 57 HB3 PRO 57 23.176 17.462 -15.167 427 HG2 PRO 57 HG2 PRO 57 23.478 16.866 -12.249 428 HG3 PRO 57 HG3 PRO 57 23.265 18.431 -13.055 429 HD2 PRO 57 HD2 PRO 57 21.227 17.129 -11.837 430 HD3 PRO 57 HD3 PRO 57 20.987 18.152 -13.268 431 H SER 58 H SER 58 22.857 13.593 -15.879 432 HA SER 58 HA SER 58 23.132 11.731 -13.719 433 HB2 SER 58 HB2 SER 58 22.332 11.105 -16.008 434 HB3 SER 58 HB3 SER 58 23.968 11.379 -16.607 435 HG SER 58 HG SER 58 24.637 9.777 -15.022 436 H SER 59 H SER 59 25.281 13.744 -15.574 437 HA SER 59 HA SER 59 27.716 12.466 -15.132 438 HB2 SER 59 HB2 SER 59 26.857 14.933 -16.202 439 HB3 SER 59 HB3 SER 59 28.052 15.322 -14.965 440 HG SER 59 HG SER 59 29.416 13.723 -16.019 441 H TYR 60 H TYR 60 25.675 14.171 -12.949 442 HA TYR 60 HA TYR 60 27.808 14.221 -10.922 443 HB2 TYR 60 HB2 TYR 60 25.190 15.735 -10.977 444 HB3 TYR 60 HB3 TYR 60 26.414 15.852 -9.718 445 HD1 TYR 60 HD2 TYR 60 26.021 16.285 -13.406 446 HD2 TYR 60 HD1 TYR 60 28.002 17.533 -9.854 447 HE1 TYR 60 HE2 TYR 60 27.135 18.080 -14.665 448 HE2 TYR 60 HE1 TYR 60 29.120 19.333 -11.103 449 HH TYR 60 HH TYR 60 28.729 19.657 -14.603 450 H LEU 61 H LEU 61 25.977 11.970 -11.833 451 HA LEU 61 HA LEU 61 25.118 11.194 -9.137 452 HB2 LEU 61 HB2 LEU 61 23.496 11.176 -11.650 453 HB3 LEU 61 HB3 LEU 61 23.179 9.997 -10.379 454 HG LEU 61 HG LEU 61 23.155 12.959 -9.859 455 HD11 LEU 61 HD11 LEU 61 20.670 12.763 -10.036 456 HD12 LEU 61 HD12 LEU 61 20.906 11.189 -10.795 457 HD13 LEU 61 HD13 LEU 61 21.528 12.644 -11.572 458 HD21 LEU 61 HD21 LEU 61 22.686 10.530 -8.321 459 HD22 LEU 61 HD22 LEU 61 21.362 11.690 -8.205 460 HD23 LEU 61 HD23 LEU 61 23.002 12.177 -7.773 461 H VAL 62 H VAL 62 25.670 9.171 -8.574 462 HA VAL 62 HA VAL 62 26.750 7.418 -10.685 463 HB VAL 62 HB VAL 62 27.626 7.704 -7.811 464 HG11 VAL 62 HG11 VAL 62 27.819 5.421 -8.110 465 HG12 VAL 62 HG12 VAL 62 28.168 5.570 -9.833 466 HG13 VAL 62 HG13 VAL 62 29.399 5.993 -8.642 467 HG21 VAL 62 HG21 VAL 62 29.673 8.502 -8.663 468 HG22 VAL 62 HG22 VAL 62 29.281 7.993 -10.306 469 HG23 VAL 62 HG23 VAL 62 28.424 9.350 -9.575 470 H GLU 63 H GLU 63 25.756 5.535 -10.967 471 HA GLU 63 HA GLU 63 23.447 4.783 -9.604 472 HB2 GLU 63 HB2 GLU 63 24.984 3.802 -11.775 473 HB3 GLU 63 HB3 GLU 63 24.721 2.454 -10.677 474 HG2 GLU 63 HG2 GLU 63 22.246 3.290 -10.716 475 HG3 GLU 63 HG3 GLU 63 22.744 4.051 -12.227 476 H LYS 64 H LYS 64 23.217 4.124 -7.583 477 HA LYS 64 HA LYS 64 25.401 3.225 -5.991 478 HB2 LYS 64 HB2 LYS 64 23.534 4.475 -5.022 479 HB3 LYS 64 HB3 LYS 64 22.427 3.175 -5.444 480 HG2 LYS 64 HG2 LYS 64 23.097 1.858 -3.728 481 HG3 LYS 64 HG3 LYS 64 24.756 2.461 -3.765 482 HD2 LYS 64 HD2 LYS 64 24.124 4.471 -2.637 483 HD3 LYS 64 HD3 LYS 64 22.409 4.082 -2.790 484 HE2 LYS 64 HE2 LYS 64 22.652 2.212 -1.293 485 HE3 LYS 64 HE3 LYS 64 24.400 2.431 -1.240 486 HZ1 LYS 64 HZ1 LYS 64 24.006 4.628 -0.227 487 HZ2 LYS 64 HZ2 LYS 64 23.430 3.356 0.726 488 HZ3 LYS 64 HZ3 LYS 64 22.348 4.294 -0.175 489 H SER 65 H SER 65 26.299 1.330 -6.616 490 HA SER 65 HA SER 65 24.793 -0.909 -7.526 491 HB2 SER 65 HB2 SER 65 27.131 -2.052 -6.934 492 HB3 SER 65 HB3 SER 65 26.930 -1.030 -8.358 493 HG SER 65 HG SER 65 28.781 -0.557 -6.947 494 HA PRO 66 HA PRO 66 23.728 -3.000 -3.821 495 HB2 PRO 66 HB2 PRO 66 24.192 -5.598 -4.459 496 HB3 PRO 66 HB3 PRO 66 22.845 -4.670 -5.129 497 HG2 PRO 66 HG2 PRO 66 25.505 -5.299 -6.350 498 HG3 PRO 66 HG3 PRO 66 23.895 -5.337 -7.094 499 HD2 PRO 66 HD2 PRO 66 25.616 -3.276 -7.448 500 HD3 PRO 66 HD3 PRO 66 23.855 -3.055 -7.420 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -2.392 1.188 -0.242 2 HA2 GLY 1 HA2 GLY 1 -1.843 3.650 -1.781 3 HA3 GLY 1 HA3 GLY 1 -0.627 2.782 -0.857 4 HA PRO 2 HA PRO 2 -0.663 1.447 -5.382 5 HB2 PRO 2 HB2 PRO 2 1.817 2.357 -6.007 6 HB3 PRO 2 HB3 PRO 2 0.360 3.342 -6.183 7 HG2 PRO 2 HG2 PRO 2 2.387 3.336 -3.980 8 HG3 PRO 2 HG3 PRO 2 1.609 4.714 -4.781 9 HD2 PRO 2 HD2 PRO 2 0.811 3.794 -2.363 10 HD3 PRO 2 HD3 PRO 2 -0.316 4.516 -3.529 11 H LEU 3 H LEU 3 2.086 1.530 -3.115 12 HA LEU 3 HA LEU 3 3.600 -0.047 -2.489 13 HB2 LEU 3 HB2 LEU 3 1.609 -2.124 -3.337 14 HB3 LEU 3 HB3 LEU 3 2.799 -2.207 -2.039 15 HG LEU 3 HG LEU 3 0.395 -0.389 -1.987 16 HD11 LEU 3 HD11 LEU 3 0.424 -2.718 -0.216 17 HD12 LEU 3 HD12 LEU 3 0.255 -3.110 -1.927 18 HD13 LEU 3 HD13 LEU 3 -0.895 -2.018 -1.155 19 HD21 LEU 3 HD21 LEU 3 1.963 0.456 -0.489 20 HD22 LEU 3 HD22 LEU 3 2.530 -1.149 -0.025 21 HD23 LEU 3 HD23 LEU 3 0.951 -0.580 0.518 22 H GLY 4 H GLY 4 4.295 0.895 -4.839 23 HA2 GLY 4 HA2 GLY 4 5.930 -0.984 -6.000 24 HA3 GLY 4 HA3 GLY 4 4.436 -1.064 -6.921 25 H SER 5 H SER 5 7.162 0.949 -6.037 26 HA SER 5 HA SER 5 6.417 2.839 -8.168 27 HB2 SER 5 HB2 SER 5 8.562 3.900 -6.666 28 HB3 SER 5 HB3 SER 5 6.883 4.438 -6.669 29 HG SER 5 HG SER 5 6.713 3.667 -4.734 30 HA PRO 6 HA PRO 6 9.874 1.735 -10.631 31 HB2 PRO 6 HB2 PRO 6 10.717 4.138 -11.571 32 HB3 PRO 6 HB3 PRO 6 9.222 3.366 -12.111 33 HG2 PRO 6 HG2 PRO 6 9.609 5.540 -10.089 34 HG3 PRO 6 HG3 PRO 6 8.380 5.400 -11.361 35 HD2 PRO 6 HD2 PRO 6 7.873 4.790 -8.772 36 HD3 PRO 6 HD3 PRO 6 7.082 3.953 -10.122 37 H GLU 7 H GLU 7 11.038 1.096 -8.594 38 HA GLU 7 HA GLU 7 13.367 2.853 -8.172 39 HB2 GLU 7 HB2 GLU 7 13.458 1.624 -5.882 40 HB3 GLU 7 HB3 GLU 7 12.322 2.948 -6.103 41 HG2 GLU 7 HG2 GLU 7 11.406 0.947 -4.928 42 HG3 GLU 7 HG3 GLU 7 10.496 1.462 -6.348 43 H GLU 8 H GLU 8 13.630 1.208 -10.209 44 HA GLU 8 HA GLU 8 14.631 -1.380 -9.435 45 HB2 GLU 8 HB2 GLU 8 15.053 -0.077 -12.114 46 HB3 GLU 8 HB3 GLU 8 14.954 -1.791 -11.735 47 HG2 GLU 8 HG2 GLU 8 12.676 0.171 -11.603 48 HG3 GLU 8 HG3 GLU 8 12.960 -1.000 -12.889 49 H THR 9 H THR 9 15.916 1.787 -9.880 50 HA THR 9 HA THR 9 18.540 0.854 -9.056 51 HB THR 9 HB THR 9 18.223 2.478 -11.588 52 HG1 THR 9 HG1 THR 9 18.645 0.640 -12.662 53 HG21 THR 9 HG21 THR 9 20.790 1.586 -11.539 54 HG22 THR 9 HG22 THR 9 20.494 1.866 -9.823 55 HG23 THR 9 HG23 THR 9 20.279 3.178 -10.981 56 H VAL 10 H VAL 10 19.810 2.451 -8.089 57 HA VAL 10 HA VAL 10 18.457 5.037 -7.662 58 HB VAL 10 HB VAL 10 20.259 3.725 -5.637 59 HG11 VAL 10 HG11 VAL 10 18.975 5.258 -4.106 60 HG12 VAL 10 HG12 VAL 10 20.030 6.060 -5.272 61 HG13 VAL 10 HG13 VAL 10 18.290 6.000 -5.551 62 HG21 VAL 10 HG21 VAL 10 17.707 3.517 -4.633 63 HG22 VAL 10 HG22 VAL 10 17.504 3.072 -6.327 64 HG23 VAL 10 HG23 VAL 10 18.656 2.198 -5.318 65 H VAL 11 H VAL 11 19.850 6.856 -7.225 66 HA VAL 11 HA VAL 11 22.600 6.516 -8.225 67 HB VAL 11 HB VAL 11 22.433 8.694 -9.353 68 HG11 VAL 11 HG11 VAL 11 20.253 6.816 -10.252 69 HG12 VAL 11 HG12 VAL 11 21.140 7.970 -11.249 70 HG13 VAL 11 HG13 VAL 11 21.972 6.576 -10.559 71 HG21 VAL 11 HG21 VAL 11 20.301 9.803 -9.642 72 HG22 VAL 11 HG22 VAL 11 19.493 8.560 -8.685 73 HG23 VAL 11 HG23 VAL 11 20.659 9.642 -7.922 74 H ILE 12 H ILE 12 24.168 7.888 -7.353 75 HA ILE 12 HA ILE 12 23.349 9.237 -4.867 76 HB ILE 12 HB ILE 12 26.180 8.443 -5.448 77 HG12 ILE 12 HG12 ILE 12 24.019 6.665 -4.296 78 HG13 ILE 12 HG13 ILE 12 24.885 6.410 -5.807 79 HG21 ILE 12 HG21 ILE 12 24.972 8.265 -2.760 80 HG22 ILE 12 HG22 ILE 12 26.554 8.861 -3.258 81 HG23 ILE 12 HG23 ILE 12 25.129 9.882 -3.445 82 HD11 ILE 12 HD11 ILE 12 26.054 6.327 -3.037 83 HD12 ILE 12 HD12 ILE 12 25.753 4.954 -4.103 84 HD13 ILE 12 HD13 ILE 12 26.972 6.154 -4.533 85 H ALA 13 H ALA 13 23.783 11.347 -4.576 86 HA ALA 13 HA ALA 13 24.638 12.907 -6.820 87 HB1 ALA 13 HB1 ALA 13 24.522 14.743 -4.905 88 HB2 ALA 13 HB2 ALA 13 23.072 14.084 -5.663 89 HB3 ALA 13 HB3 ALA 13 23.605 13.471 -4.098 90 H LEU 14 H LEU 14 26.614 13.624 -7.290 91 HA LEU 14 HA LEU 14 28.801 12.994 -5.478 92 HB2 LEU 14 HB2 LEU 14 29.128 14.301 -8.148 93 HB3 LEU 14 HB3 LEU 14 30.234 13.229 -7.292 94 HG LEU 14 HG LEU 14 27.701 12.451 -8.731 95 HD11 LEU 14 HD11 LEU 14 29.057 11.451 -10.331 96 HD12 LEU 14 HD12 LEU 14 30.476 11.471 -9.284 97 HD13 LEU 14 HD13 LEU 14 29.883 12.973 -9.992 98 HD21 LEU 14 HD21 LEU 14 28.935 10.122 -8.118 99 HD22 LEU 14 HD22 LEU 14 27.616 10.823 -7.181 100 HD23 LEU 14 HD23 LEU 14 29.287 11.073 -6.675 101 H TYR 15 H TYR 15 27.103 15.761 -6.757 102 HA TYR 15 HA TYR 15 28.485 17.468 -4.845 103 HB2 TYR 15 HB2 TYR 15 28.272 18.293 -7.743 104 HB3 TYR 15 HB3 TYR 15 29.092 19.150 -6.443 105 HD1 TYR 15 HD2 TYR 15 31.212 18.249 -5.516 106 HD2 TYR 15 HD1 TYR 15 29.342 16.516 -8.922 107 HE1 TYR 15 HE2 TYR 15 33.312 17.098 -6.076 108 HE2 TYR 15 HE1 TYR 15 31.436 15.359 -9.491 109 HH TYR 15 HH TYR 15 33.719 14.680 -7.655 110 H ASP 16 H ASP 16 27.372 19.453 -4.413 111 HA ASP 16 HA ASP 16 24.551 19.172 -4.407 112 HB2 ASP 16 HB2 ASP 16 25.466 20.358 -2.585 113 HB3 ASP 16 HB3 ASP 16 26.414 21.407 -3.635 114 H TYR 17 H TYR 17 23.505 19.221 -6.310 115 HA TYR 17 HA TYR 17 24.224 21.198 -8.325 116 HB2 TYR 17 HB2 TYR 17 23.829 18.990 -9.172 117 HB3 TYR 17 HB3 TYR 17 22.285 18.881 -8.334 118 HD1 TYR 17 HD1 TYR 17 24.035 20.868 -10.961 119 HD2 TYR 17 HD2 TYR 17 20.327 19.410 -9.468 120 HE1 TYR 17 HE1 TYR 17 22.896 21.732 -12.962 121 HE2 TYR 17 HE2 TYR 17 19.178 20.269 -11.466 122 HH TYR 17 HH TYR 17 20.717 21.144 -14.238 123 H GLN 18 H GLN 18 22.792 22.741 -9.149 124 HA GLN 18 HA GLN 18 20.297 23.173 -7.678 125 HB2 GLN 18 HB2 GLN 18 22.626 25.041 -7.843 126 HB3 GLN 18 HB3 GLN 18 21.000 25.708 -7.802 127 HG2 GLN 18 HG2 GLN 18 20.633 24.320 -5.718 128 HG3 GLN 18 HG3 GLN 18 22.373 24.038 -5.722 129 HE21 GLN 18 HE21 GLN 18 20.151 25.768 -4.241 130 HE22 GLN 18 HE22 GLN 18 21.013 27.232 -3.928 131 H THR 19 H THR 19 18.673 23.508 -9.034 132 HA THR 19 HA THR 19 19.234 24.060 -11.832 133 HB THR 19 HB THR 19 17.645 22.299 -11.409 134 HG1 THR 19 HG1 THR 19 15.689 23.504 -12.386 135 HG21 THR 19 HG21 THR 19 16.622 22.576 -9.385 136 HG22 THR 19 HG22 THR 19 15.344 23.203 -10.426 137 HG23 THR 19 HG23 THR 19 16.432 24.316 -9.596 138 H ASN 20 H ASN 20 17.907 25.649 -13.016 139 HA ASN 20 HA ASN 20 17.735 28.133 -11.486 140 HB2 ASN 20 HB2 ASN 20 17.437 27.850 -14.474 141 HB3 ASN 20 HB3 ASN 20 17.886 29.284 -13.555 142 HD21 ASN 20 HD21 ASN 20 18.957 26.190 -14.747 143 HD22 ASN 20 HD22 ASN 20 20.649 26.481 -14.557 144 H ASP 21 H ASP 21 15.738 25.800 -13.069 145 HA ASP 21 HA ASP 21 13.379 27.477 -12.516 146 HB2 ASP 21 HB2 ASP 21 14.079 25.843 -14.903 147 HB3 ASP 21 HB3 ASP 21 12.392 25.856 -14.397 148 HA PRO 22 HA PRO 22 11.747 24.264 -10.018 149 HB2 PRO 22 HB2 PRO 22 9.101 24.336 -10.623 150 HB3 PRO 22 HB3 PRO 22 9.904 25.594 -9.676 151 HG2 PRO 22 HG2 PRO 22 9.191 25.578 -12.583 152 HG3 PRO 22 HG3 PRO 22 9.021 26.885 -11.397 153 HD2 PRO 22 HD2 PRO 22 11.061 26.786 -13.174 154 HD3 PRO 22 HD3 PRO 22 11.241 27.483 -11.552 155 H GLN 23 H GLN 23 11.404 24.088 -13.441 156 HA GLN 23 HA GLN 23 10.032 21.675 -13.745 157 HB2 GLN 23 HB2 GLN 23 10.891 23.433 -15.499 158 HB3 GLN 23 HB3 GLN 23 12.296 22.378 -15.572 159 HG2 GLN 23 HG2 GLN 23 11.085 21.428 -17.220 160 HG3 GLN 23 HG3 GLN 23 10.404 20.535 -15.861 161 HE21 GLN 23 HE21 GLN 23 9.829 22.834 -18.341 162 HE22 GLN 23 HE22 GLN 23 8.139 23.051 -18.056 163 H GLU 24 H GLU 24 13.483 22.311 -13.270 164 HA GLU 24 HA GLU 24 13.999 19.433 -13.142 165 HB2 GLU 24 HB2 GLU 24 16.115 21.543 -12.881 166 HB3 GLU 24 HB3 GLU 24 16.260 19.901 -13.491 167 HG2 GLU 24 HG2 GLU 24 14.948 22.230 -14.869 168 HG3 GLU 24 HG3 GLU 24 16.466 21.450 -15.309 169 H LEU 25 H LEU 25 15.430 18.641 -11.396 170 HA LEU 25 HA LEU 25 14.688 19.899 -8.847 171 HB2 LEU 25 HB2 LEU 25 14.695 17.206 -9.781 172 HB3 LEU 25 HB3 LEU 25 15.831 17.340 -8.441 173 HG LEU 25 HG LEU 25 14.098 18.102 -6.968 174 HD11 LEU 25 HD11 LEU 25 11.688 17.891 -8.184 175 HD12 LEU 25 HD12 LEU 25 12.664 18.563 -9.489 176 HD13 LEU 25 HD13 LEU 25 12.555 19.408 -7.945 177 HD21 LEU 25 HD21 LEU 25 14.092 15.576 -8.250 178 HD22 LEU 25 HD22 LEU 25 12.414 16.037 -7.962 179 HD23 LEU 25 HD23 LEU 25 13.557 15.981 -6.619 180 H ALA 26 H ALA 26 16.345 19.401 -7.047 181 HA ALA 26 HA ALA 26 19.029 20.043 -8.084 182 HB1 ALA 26 HB1 ALA 26 19.033 20.841 -5.450 183 HB2 ALA 26 HB2 ALA 26 18.807 21.890 -6.851 184 HB3 ALA 26 HB3 ALA 26 17.405 21.250 -5.992 185 H LEU 27 H LEU 27 20.843 19.133 -7.049 186 HA LEU 27 HA LEU 27 20.248 16.626 -5.637 187 HB2 LEU 27 HB2 LEU 27 22.784 17.440 -7.045 188 HB3 LEU 27 HB3 LEU 27 22.420 15.854 -6.368 189 HG LEU 27 HG LEU 27 20.809 17.047 -8.610 190 HD11 LEU 27 HD11 LEU 27 23.186 16.943 -9.268 191 HD12 LEU 27 HD12 LEU 27 22.171 15.824 -10.177 192 HD13 LEU 27 HD13 LEU 27 23.195 15.224 -8.873 193 HD21 LEU 27 HD21 LEU 27 21.257 14.142 -8.177 194 HD22 LEU 27 HD22 LEU 27 19.846 14.988 -8.812 195 HD23 LEU 27 HD23 LEU 27 20.169 14.990 -7.077 196 H ARG 28 H ARG 28 21.925 15.930 -4.031 197 HA ARG 28 HA ARG 28 23.172 18.185 -2.630 198 HB2 ARG 28 HB2 ARG 28 21.091 16.326 -1.576 199 HB3 ARG 28 HB3 ARG 28 22.372 16.840 -0.487 200 HG2 ARG 28 HG2 ARG 28 20.729 18.801 -2.054 201 HG3 ARG 28 HG3 ARG 28 20.228 18.193 -0.475 202 HD2 ARG 28 HD2 ARG 28 22.886 19.509 -1.001 203 HD3 ARG 28 HD3 ARG 28 21.460 20.378 -0.435 204 HE ARG 28 HE ARG 28 23.209 18.778 1.131 205 HH11 ARG 28 HH11 ARG 28 19.870 19.698 0.773 206 HH12 ARG 28 HH12 ARG 28 19.485 19.442 2.442 207 HH21 ARG 28 HH21 ARG 28 22.714 18.437 3.331 208 HH22 ARG 28 HH22 ARG 28 21.103 18.725 3.897 209 H ARG 29 H ARG 29 25.195 17.764 -2.015 210 HA ARG 29 HA ARG 29 26.598 15.512 -2.755 211 HB2 ARG 29 HB2 ARG 29 27.374 17.852 -1.824 212 HB3 ARG 29 HB3 ARG 29 27.437 16.988 -0.294 213 HG2 ARG 29 HG2 ARG 29 28.890 15.282 -1.492 214 HG3 ARG 29 HG3 ARG 29 29.015 16.470 -2.791 215 HD2 ARG 29 HD2 ARG 29 30.913 16.743 -1.371 216 HD3 ARG 29 HD3 ARG 29 29.838 18.114 -1.101 217 HE ARG 29 HE ARG 29 29.522 17.404 1.056 218 HH11 ARG 29 HH11 ARG 29 31.016 14.859 -0.791 219 HH12 ARG 29 HH12 ARG 29 31.329 13.862 0.591 220 HH21 ARG 29 HH21 ARG 29 29.928 16.100 2.883 221 HH22 ARG 29 HH22 ARG 29 30.708 14.568 2.680 222 H ASN 30 H ASN 30 26.958 13.535 -1.927 223 HA ASN 30 HA ASN 30 26.782 11.698 -0.597 224 HB2 ASN 30 HB2 ASN 30 27.925 13.318 1.024 225 HB3 ASN 30 HB3 ASN 30 26.333 13.547 1.742 226 HD21 ASN 30 HD21 ASN 30 26.833 12.646 3.693 227 HD22 ASN 30 HD22 ASN 30 27.163 10.963 3.904 228 H GLU 31 H GLU 31 24.544 12.216 -1.948 229 HA GLU 31 HA GLU 31 22.455 11.409 -0.064 230 HB2 GLU 31 HB2 GLU 31 22.467 13.961 -0.849 231 HB3 GLU 31 HB3 GLU 31 21.643 13.269 -2.240 232 HG2 GLU 31 HG2 GLU 31 19.871 13.807 -0.905 233 HG3 GLU 31 HG3 GLU 31 20.150 12.133 -0.429 234 H GLU 32 H GLU 32 20.616 10.366 -1.116 235 HA GLU 32 HA GLU 32 21.417 9.072 -3.638 236 HB2 GLU 32 HB2 GLU 32 20.137 8.045 -1.163 237 HB3 GLU 32 HB3 GLU 32 19.582 7.365 -2.686 238 HG2 GLU 32 HG2 GLU 32 21.253 5.910 -2.260 239 HG3 GLU 32 HG3 GLU 32 22.194 7.144 -3.097 240 H TYR 33 H TYR 33 19.700 8.476 -5.113 241 HA TYR 33 HA TYR 33 17.146 9.831 -4.775 242 HB2 TYR 33 HB2 TYR 33 19.013 10.420 -7.081 243 HB3 TYR 33 HB3 TYR 33 17.329 10.926 -7.001 244 HD1 TYR 33 HD1 TYR 33 16.630 12.682 -5.448 245 HD2 TYR 33 HD2 TYR 33 20.711 11.522 -5.764 246 HE1 TYR 33 HE1 TYR 33 17.298 14.731 -4.263 247 HE2 TYR 33 HE2 TYR 33 21.390 13.568 -4.579 248 HH TYR 33 HH TYR 33 18.981 15.869 -3.357 249 H CYS 34 H CYS 34 15.550 8.584 -5.493 250 HA CYS 34 HA CYS 34 16.062 6.067 -6.690 251 HB2 CYS 34 HB2 CYS 34 14.154 6.322 -5.243 252 HB3 CYS 34 HB3 CYS 34 13.492 7.597 -6.259 253 HG CYS 34 HG CYS 34 11.999 6.026 -7.617 254 H LEU 35 H LEU 35 16.804 5.927 -8.712 255 HA LEU 35 HA LEU 35 16.317 7.822 -10.747 256 HB2 LEU 35 HB2 LEU 35 18.160 5.972 -10.464 257 HB3 LEU 35 HB3 LEU 35 17.022 4.998 -11.393 258 HG LEU 35 HG LEU 35 18.698 5.937 -12.856 259 HD11 LEU 35 HD11 LEU 35 17.269 6.981 -14.482 260 HD12 LEU 35 HD12 LEU 35 16.089 7.396 -13.239 261 HD13 LEU 35 HD13 LEU 35 16.367 5.707 -13.661 262 HD21 LEU 35 HD21 LEU 35 19.580 7.937 -12.487 263 HD22 LEU 35 HD22 LEU 35 18.422 8.215 -11.187 264 HD23 LEU 35 HD23 LEU 35 18.027 8.695 -12.838 265 H LEU 36 H LEU 36 14.473 8.171 -11.777 266 HA LEU 36 HA LEU 36 12.509 6.009 -11.985 267 HB2 LEU 36 HB2 LEU 36 12.280 8.981 -12.417 268 HB3 LEU 36 HB3 LEU 36 10.965 7.840 -12.688 269 HG LEU 36 HG LEU 36 11.755 7.319 -10.089 270 HD11 LEU 36 HD11 LEU 36 12.527 9.141 -9.076 271 HD12 LEU 36 HD12 LEU 36 11.322 10.172 -9.848 272 HD13 LEU 36 HD13 LEU 36 12.830 9.801 -10.683 273 HD21 LEU 36 HD21 LEU 36 9.464 7.480 -11.120 274 HD22 LEU 36 HD22 LEU 36 9.573 9.227 -10.903 275 HD23 LEU 36 HD23 LEU 36 9.617 8.160 -9.499 276 H ASP 37 H ASP 37 14.036 8.501 -14.014 277 HA ASP 37 HA ASP 37 13.759 6.692 -16.308 278 HB2 ASP 37 HB2 ASP 37 12.148 8.904 -16.009 279 HB3 ASP 37 HB3 ASP 37 13.461 9.522 -17.008 280 H SER 38 H SER 38 15.539 6.543 -17.538 281 HA SER 38 HA SER 38 17.601 8.618 -17.302 282 HB2 SER 38 HB2 SER 38 19.157 6.403 -17.466 283 HB3 SER 38 HB3 SER 38 18.721 7.180 -15.944 284 HG SER 38 HG SER 38 18.292 4.743 -16.457 285 H SER 39 H SER 39 17.527 9.402 -19.329 286 HA SER 39 HA SER 39 17.587 7.498 -21.568 287 HB2 SER 39 HB2 SER 39 16.844 9.368 -22.972 288 HB3 SER 39 HB3 SER 39 15.747 9.137 -21.612 289 HG SER 39 HG SER 39 16.686 10.893 -20.590 290 H GLU 40 H GLU 40 19.209 10.309 -20.193 291 HA GLU 40 HA GLU 40 21.745 9.550 -21.139 292 HB2 GLU 40 HB2 GLU 40 20.423 10.470 -23.238 293 HB3 GLU 40 HB3 GLU 40 20.879 12.027 -22.562 294 HG2 GLU 40 HG2 GLU 40 23.106 11.713 -22.966 295 HG3 GLU 40 HG3 GLU 40 22.983 9.956 -22.897 296 H ILE 41 H ILE 41 23.393 11.303 -20.779 297 HA ILE 41 HA ILE 41 23.169 12.361 -18.220 298 HB ILE 41 HB ILE 41 25.333 12.023 -19.261 299 HG12 ILE 41 HG12 ILE 41 24.940 14.973 -18.724 300 HG13 ILE 41 HG13 ILE 41 25.043 13.750 -17.463 301 HG21 ILE 41 HG21 ILE 41 24.645 12.663 -21.552 302 HG22 ILE 41 HG22 ILE 41 24.674 14.354 -21.054 303 HG23 ILE 41 HG23 ILE 41 26.162 13.408 -21.048 304 HD11 ILE 41 HD11 ILE 41 27.227 14.044 -19.480 305 HD12 ILE 41 HD12 ILE 41 27.143 15.099 -18.068 306 HD13 ILE 41 HD13 ILE 41 27.288 13.354 -17.859 307 H HIS 42 H HIS 42 21.963 13.570 -21.194 308 HA HIS 42 HA HIS 42 21.922 16.313 -20.790 309 HB2 HIS 42 HB2 HIS 42 19.712 14.687 -22.059 310 HB3 HIS 42 HB3 HIS 42 20.068 16.388 -22.346 311 HD1 HIS 42 HD1 HIS 42 23.265 15.697 -22.509 312 HD2 HIS 42 HD2 HIS 42 20.167 14.117 -24.782 313 HE1 HIS 42 HE1 HIS 42 24.338 14.878 -24.631 314 H TRP 43 H TRP 43 19.547 13.884 -19.751 315 HA TRP 43 HA TRP 43 18.817 15.529 -17.493 316 HB2 TRP 43 HB2 TRP 43 16.434 15.638 -18.025 317 HB3 TRP 43 HB3 TRP 43 17.380 16.445 -19.272 318 HD1 TRP 43 HD1 TRP 43 17.286 15.458 -21.711 319 HE1 TRP 43 HE1 TRP 43 15.831 13.651 -22.827 320 HE3 TRP 43 HE3 TRP 43 15.259 13.345 -17.520 321 HZ2 TRP 43 HZ2 TRP 43 14.059 11.602 -22.035 322 HZ3 TRP 43 HZ3 TRP 43 13.692 11.467 -17.786 323 HH2 TRP 43 HH2 TRP 43 13.105 10.615 -19.998 324 H TRP 44 H TRP 44 18.439 14.256 -15.800 325 HA TRP 44 HA TRP 44 17.611 11.473 -16.307 326 HB2 TRP 44 HB2 TRP 44 19.837 12.565 -14.694 327 HB3 TRP 44 HB3 TRP 44 18.909 11.274 -13.935 328 HD1 TRP 44 HD1 TRP 44 19.375 11.165 -17.706 329 HE1 TRP 44 HE1 TRP 44 20.940 9.210 -18.300 330 HE3 TRP 44 HE3 TRP 44 20.893 9.881 -12.996 331 HZ2 TRP 44 HZ2 TRP 44 22.598 7.366 -16.951 332 HZ3 TRP 44 HZ3 TRP 44 22.469 8.010 -12.734 333 HH2 TRP 44 HH2 TRP 44 23.302 6.779 -14.672 334 H ARG 45 H ARG 45 15.657 11.076 -15.527 335 HA ARG 45 HA ARG 45 14.440 12.819 -13.583 336 HB2 ARG 45 HB2 ARG 45 13.557 10.848 -15.508 337 HB3 ARG 45 HB3 ARG 45 12.787 10.585 -13.949 338 HG2 ARG 45 HG2 ARG 45 12.377 13.181 -14.090 339 HG3 ARG 45 HG3 ARG 45 12.553 12.879 -15.820 340 HD2 ARG 45 HD2 ARG 45 10.711 11.254 -14.090 341 HD3 ARG 45 HD3 ARG 45 10.199 12.766 -14.840 342 HE ARG 45 HE ARG 45 11.354 10.864 -16.671 343 HH11 ARG 45 HH11 ARG 45 8.441 11.969 -15.117 344 HH12 ARG 45 HH12 ARG 45 7.391 11.322 -16.334 345 HH21 ARG 45 HH21 ARG 45 9.983 10.008 -18.280 346 HH22 ARG 45 HH22 ARG 45 8.269 10.206 -18.132 347 H VAL 46 H VAL 46 14.807 12.610 -11.483 348 HA VAL 46 HA VAL 46 14.893 9.909 -10.327 349 HB VAL 46 HB VAL 46 16.700 10.489 -8.845 350 HG11 VAL 46 HG11 VAL 46 16.992 9.980 -11.487 351 HG12 VAL 46 HG12 VAL 46 17.918 11.474 -11.333 352 HG13 VAL 46 HG13 VAL 46 18.329 10.075 -10.341 353 HG21 VAL 46 HG21 VAL 46 17.892 12.639 -9.048 354 HG22 VAL 46 HG22 VAL 46 16.664 13.192 -10.186 355 HG23 VAL 46 HG23 VAL 46 16.222 12.841 -8.516 356 H GLN 47 H GLN 47 14.511 9.912 -7.962 357 HA GLN 47 HA GLN 47 12.790 12.160 -7.149 358 HB2 GLN 47 HB2 GLN 47 11.391 10.255 -7.660 359 HB3 GLN 47 HB3 GLN 47 12.385 9.207 -6.656 360 HG2 GLN 47 HG2 GLN 47 11.732 10.614 -4.694 361 HG3 GLN 47 HG3 GLN 47 10.591 11.443 -5.751 362 HE21 GLN 47 HE21 GLN 47 9.656 9.339 -7.254 363 HE22 GLN 47 HE22 GLN 47 8.770 8.258 -6.239 364 H ASP 48 H ASP 48 12.916 12.854 -5.039 365 HA ASP 48 HA ASP 48 15.358 12.211 -3.655 366 HB2 ASP 48 HB2 ASP 48 13.118 14.000 -2.701 367 HB3 ASP 48 HB3 ASP 48 14.798 14.013 -2.171 368 H ARG 49 H ARG 49 14.757 12.390 -1.013 369 HA ARG 49 HA ARG 49 13.437 9.826 -0.544 370 HB2 ARG 49 HB2 ARG 49 14.508 9.879 1.645 371 HB3 ARG 49 HB3 ARG 49 15.693 10.157 0.375 372 HG2 ARG 49 HG2 ARG 49 14.571 12.637 1.355 373 HG3 ARG 49 HG3 ARG 49 15.307 11.685 2.646 374 HD2 ARG 49 HD2 ARG 49 16.737 12.122 0.051 375 HD3 ARG 49 HD3 ARG 49 16.775 13.347 1.318 376 HE ARG 49 HE ARG 49 18.157 10.829 1.300 377 HH11 ARG 49 HH11 ARG 49 16.833 13.348 3.305 378 HH12 ARG 49 HH12 ARG 49 17.878 13.011 4.645 379 HH21 ARG 49 HH21 ARG 49 19.538 10.374 3.057 380 HH22 ARG 49 HH22 ARG 49 19.417 11.319 4.502 381 H ASN 50 H ASN 50 12.123 12.552 -0.997 382 HA ASN 50 HA ASN 50 10.486 12.562 1.454 383 HB2 ASN 50 HB2 ASN 50 10.866 14.864 -0.471 384 HB3 ASN 50 HB3 ASN 50 10.023 14.904 1.075 385 HD21 ASN 50 HD21 ASN 50 13.163 14.481 -0.442 386 HD22 ASN 50 HD22 ASN 50 14.095 14.998 0.918 387 H GLY 51 H GLY 51 10.533 12.328 -2.002 388 HA2 GLY 51 HA2 GLY 51 8.659 11.029 -2.950 389 HA3 GLY 51 HA3 GLY 51 7.592 12.029 -1.975 390 H HIS 52 H HIS 52 10.342 13.408 -3.603 391 HA HIS 52 HA HIS 52 8.508 14.674 -5.533 392 HB2 HIS 52 HB2 HIS 52 11.034 15.912 -4.433 393 HB3 HIS 52 HB3 HIS 52 9.793 16.695 -5.407 394 HD1 HIS 52 HD1 HIS 52 10.814 16.170 -1.975 395 HD2 HIS 52 HD2 HIS 52 7.237 16.923 -3.951 396 HE1 HIS 52 HE1 HIS 52 9.223 16.978 -0.202 397 H GLU 53 H GLU 53 8.946 14.353 -7.614 398 HA GLU 53 HA GLU 53 11.582 13.251 -8.320 399 HB2 GLU 53 HB2 GLU 53 9.092 13.038 -10.000 400 HB3 GLU 53 HB3 GLU 53 10.567 12.087 -10.115 401 HG2 GLU 53 HG2 GLU 53 9.354 10.553 -9.024 402 HG3 GLU 53 HG3 GLU 53 9.818 11.488 -7.603 403 H GLY 54 H GLY 54 12.796 14.174 -9.909 404 HA2 GLY 54 HA2 GLY 54 11.677 16.247 -11.604 405 HA3 GLY 54 HA3 GLY 54 12.852 16.806 -10.423 406 H TYR 55 H TYR 55 13.770 17.434 -12.660 407 HA TYR 55 HA TYR 55 15.287 15.215 -13.833 408 HB2 TYR 55 HB2 TYR 55 14.794 18.030 -14.823 409 HB3 TYR 55 HB3 TYR 55 15.795 16.845 -15.655 410 HD1 TYR 55 HD1 TYR 55 12.339 17.584 -14.553 411 HD2 TYR 55 HD2 TYR 55 14.825 15.179 -17.030 412 HE1 TYR 55 HE1 TYR 55 10.345 16.721 -15.706 413 HE2 TYR 55 HE2 TYR 55 12.838 14.310 -18.191 414 HH TYR 55 HH TYR 55 10.570 14.139 -18.080 415 H VAL 56 H VAL 56 17.484 15.134 -13.819 416 HA VAL 56 HA VAL 56 19.030 17.390 -12.835 417 HB VAL 56 HB VAL 56 20.229 15.848 -11.192 418 HG11 VAL 56 HG11 VAL 56 18.979 16.679 -9.464 419 HG12 VAL 56 HG12 VAL 56 18.393 17.695 -10.783 420 HG13 VAL 56 HG13 VAL 56 17.444 16.307 -10.249 421 HG21 VAL 56 HG21 VAL 56 18.847 14.028 -10.257 422 HG22 VAL 56 HG22 VAL 56 17.679 14.276 -11.555 423 HG23 VAL 56 HG23 VAL 56 19.314 13.733 -11.932 424 HA PRO 57 HA PRO 57 22.074 15.848 -15.597 425 HB2 PRO 57 HB2 PRO 57 24.361 16.656 -14.377 426 HB3 PRO 57 HB3 PRO 57 23.256 17.774 -15.184 427 HG2 PRO 57 HG2 PRO 57 23.519 17.145 -12.270 428 HG3 PRO 57 HG3 PRO 57 23.308 18.718 -13.060 429 HD2 PRO 57 HD2 PRO 57 21.259 17.391 -11.888 430 HD3 PRO 57 HD3 PRO 57 21.035 18.429 -13.310 431 H SER 58 H SER 58 22.880 13.877 -15.934 432 HA SER 58 HA SER 58 23.152 12.000 -13.805 433 HB2 SER 58 HB2 SER 58 23.313 10.401 -15.445 434 HB3 SER 58 HB3 SER 58 22.581 11.694 -16.394 435 HG SER 58 HG SER 58 25.037 10.550 -16.627 436 H SER 59 H SER 59 25.335 14.071 -15.544 437 HA SER 59 HA SER 59 27.768 12.797 -15.081 438 HB2 SER 59 HB2 SER 59 26.920 15.287 -16.097 439 HB3 SER 59 HB3 SER 59 28.068 15.652 -14.809 440 HG SER 59 HG SER 59 29.592 15.041 -16.101 441 H TYR 60 H TYR 60 25.664 14.430 -12.899 442 HA TYR 60 HA TYR 60 27.744 14.430 -10.818 443 HB2 TYR 60 HB2 TYR 60 25.105 15.908 -10.903 444 HB3 TYR 60 HB3 TYR 60 26.273 15.987 -9.589 445 HD1 TYR 60 HD2 TYR 60 26.012 16.582 -13.265 446 HD2 TYR 60 HD1 TYR 60 27.861 17.675 -9.592 447 HE1 TYR 60 HE2 TYR 60 27.153 18.442 -14.400 448 HE2 TYR 60 HE1 TYR 60 29.007 19.539 -10.717 449 HH TYR 60 HH TYR 60 28.393 20.975 -12.985 450 H LEU 61 H LEU 61 25.962 12.187 -11.852 451 HA LEU 61 HA LEU 61 25.062 11.300 -9.204 452 HB2 LEU 61 HB2 LEU 61 23.494 11.347 -11.751 453 HB3 LEU 61 HB3 LEU 61 23.168 10.119 -10.530 454 HG LEU 61 HG LEU 61 23.069 13.070 -9.944 455 HD11 LEU 61 HD11 LEU 61 21.438 12.742 -11.637 456 HD12 LEU 61 HD12 LEU 61 20.582 12.764 -10.095 457 HD13 LEU 61 HD13 LEU 61 20.891 11.231 -10.910 458 HD21 LEU 61 HD21 LEU 61 22.864 12.330 -7.859 459 HD22 LEU 61 HD22 LEU 61 22.799 10.652 -8.398 460 HD23 LEU 61 HD23 LEU 61 21.322 11.615 -8.328 461 H VAL 62 H VAL 62 25.623 9.261 -8.704 462 HA VAL 62 HA VAL 62 26.818 7.622 -10.844 463 HB VAL 62 HB VAL 62 28.384 8.438 -9.045 464 HG11 VAL 62 HG11 VAL 62 28.120 7.940 -6.861 465 HG12 VAL 62 HG12 VAL 62 26.420 7.799 -7.311 466 HG13 VAL 62 HG13 VAL 62 27.426 6.354 -7.196 467 HG21 VAL 62 HG21 VAL 62 28.400 6.154 -10.441 468 HG22 VAL 62 HG22 VAL 62 29.667 6.586 -9.293 469 HG23 VAL 62 HG23 VAL 62 28.373 5.491 -8.806 470 H GLU 63 H GLU 63 26.140 5.561 -11.114 471 HA GLU 63 HA GLU 63 23.655 4.762 -10.060 472 HB2 GLU 63 HB2 GLU 63 25.572 3.761 -11.971 473 HB3 GLU 63 HB3 GLU 63 24.964 2.448 -10.973 474 HG2 GLU 63 HG2 GLU 63 23.252 2.362 -12.380 475 HG3 GLU 63 HG3 GLU 63 22.685 3.842 -11.608 476 H LYS 64 H LYS 64 23.270 4.160 -8.042 477 HA LYS 64 HA LYS 64 25.340 3.197 -6.306 478 HB2 LYS 64 HB2 LYS 64 23.407 4.637 -5.582 479 HB3 LYS 64 HB3 LYS 64 22.362 3.238 -5.794 480 HG2 LYS 64 HG2 LYS 64 24.748 2.888 -4.079 481 HG3 LYS 64 HG3 LYS 64 23.438 3.893 -3.453 482 HD2 LYS 64 HD2 LYS 64 21.861 2.030 -3.933 483 HD3 LYS 64 HD3 LYS 64 23.242 1.033 -4.396 484 HE2 LYS 64 HE2 LYS 64 23.289 2.379 -1.743 485 HE3 LYS 64 HE3 LYS 64 22.244 0.975 -1.949 486 HZ1 LYS 64 HZ1 LYS 64 24.065 -0.197 -1.485 487 HZ2 LYS 64 HZ2 LYS 64 25.106 1.110 -1.749 488 HZ3 LYS 64 HZ3 LYS 64 24.580 0.170 -3.054 489 H SER 65 H SER 65 26.100 1.230 -6.952 490 HA SER 65 HA SER 65 24.142 -0.964 -7.134 491 HB2 SER 65 HB2 SER 65 25.165 -1.409 -9.085 492 HB3 SER 65 HB3 SER 65 26.465 -0.269 -8.740 493 HG SER 65 HG SER 65 27.034 -2.584 -8.942 494 HA PRO 66 HA PRO 66 25.834 -2.970 -3.619 495 HB2 PRO 66 HB2 PRO 66 25.797 -5.581 -4.359 496 HB3 PRO 66 HB3 PRO 66 24.330 -4.669 -3.982 497 HG2 PRO 66 HG2 PRO 66 25.519 -5.327 -6.650 498 HG3 PRO 66 HG3 PRO 66 23.823 -5.381 -6.137 499 HD2 PRO 66 HD2 PRO 66 24.844 -3.330 -7.580 500 HD3 PRO 66 HD3 PRO 66 23.542 -3.108 -6.394 Start of MODEL 13 1 H1 GLY 1 H GLY 1 0.612 2.315 1.900 2 HA2 GLY 1 HA2 GLY 1 -0.166 4.593 1.535 3 HA3 GLY 1 HA3 GLY 1 1.516 5.104 1.555 4 HA PRO 2 HA PRO 2 -0.057 4.343 -2.838 5 HB2 PRO 2 HB2 PRO 2 0.043 6.921 -3.683 6 HB3 PRO 2 HB3 PRO 2 -1.395 6.208 -2.944 7 HG2 PRO 2 HG2 PRO 2 0.705 7.946 -1.708 8 HG3 PRO 2 HG3 PRO 2 -1.056 8.010 -1.514 9 HD2 PRO 2 HD2 PRO 2 0.571 6.871 0.326 10 HD3 PRO 2 HD3 PRO 2 -1.077 6.287 0.017 11 H LEU 3 H LEU 3 1.834 3.346 -3.435 12 HA LEU 3 HA LEU 3 4.119 5.111 -4.024 13 HB2 LEU 3 HB2 LEU 3 4.434 3.364 -2.224 14 HB3 LEU 3 HB3 LEU 3 4.274 2.154 -3.495 15 HG LEU 3 HG LEU 3 6.251 3.325 -4.617 16 HD11 LEU 3 HD11 LEU 3 7.136 5.119 -3.667 17 HD12 LEU 3 HD12 LEU 3 7.417 4.221 -2.177 18 HD13 LEU 3 HD13 LEU 3 5.888 5.063 -2.422 19 HD21 LEU 3 HD21 LEU 3 6.308 1.646 -2.158 20 HD22 LEU 3 HD22 LEU 3 7.831 2.256 -2.807 21 HD23 LEU 3 HD23 LEU 3 6.784 1.249 -3.809 22 H GLY 4 H GLY 4 4.466 5.402 -6.120 23 HA2 GLY 4 HA2 GLY 4 3.933 3.160 -7.957 24 HA3 GLY 4 HA3 GLY 4 3.297 4.759 -8.314 25 H SER 5 H SER 5 6.334 3.038 -7.665 26 HA SER 5 HA SER 5 7.611 4.659 -9.742 27 HB2 SER 5 HB2 SER 5 8.362 4.559 -6.866 28 HB3 SER 5 HB3 SER 5 9.679 4.532 -8.039 29 HG SER 5 HG SER 5 9.395 6.604 -8.135 30 HA PRO 6 HA PRO 6 9.498 0.920 -11.043 31 HB2 PRO 6 HB2 PRO 6 11.960 1.749 -11.834 32 HB3 PRO 6 HB3 PRO 6 10.486 2.118 -12.737 33 HG2 PRO 6 HG2 PRO 6 12.009 3.833 -10.813 34 HG3 PRO 6 HG3 PRO 6 11.289 4.270 -12.374 35 HD2 PRO 6 HD2 PRO 6 10.099 4.841 -10.010 36 HD3 PRO 6 HD3 PRO 6 9.174 4.480 -11.482 37 H GLU 7 H GLU 7 11.791 2.876 -9.129 38 HA GLU 7 HA GLU 7 13.365 2.296 -7.585 39 HB2 GLU 7 HB2 GLU 7 11.092 1.662 -6.512 40 HB3 GLU 7 HB3 GLU 7 11.587 0.002 -6.811 41 HG2 GLU 7 HG2 GLU 7 13.685 0.505 -5.527 42 HG3 GLU 7 HG3 GLU 7 12.947 2.040 -5.073 43 H GLU 8 H GLU 8 13.851 1.242 -10.129 44 HA GLU 8 HA GLU 8 14.715 -1.514 -9.726 45 HB2 GLU 8 HB2 GLU 8 15.029 0.193 -12.197 46 HB3 GLU 8 HB3 GLU 8 15.182 -1.554 -12.085 47 HG2 GLU 8 HG2 GLU 8 12.625 -0.101 -11.479 48 HG3 GLU 8 HG3 GLU 8 13.046 -0.678 -13.090 49 H THR 9 H THR 9 16.073 1.689 -10.335 50 HA THR 9 HA THR 9 18.655 0.715 -9.347 51 HB THR 9 HB THR 9 18.312 2.354 -11.866 52 HG1 THR 9 HG1 THR 9 19.611 -0.154 -11.587 53 HG21 THR 9 HG21 THR 9 20.631 1.867 -10.086 54 HG22 THR 9 HG22 THR 9 20.269 3.246 -11.124 55 HG23 THR 9 HG23 THR 9 20.923 1.764 -11.821 56 H VAL 10 H VAL 10 19.866 2.219 -8.225 57 HA VAL 10 HA VAL 10 18.539 4.806 -7.732 58 HB VAL 10 HB VAL 10 20.344 3.390 -5.777 59 HG11 VAL 10 HG11 VAL 10 18.425 5.701 -5.568 60 HG12 VAL 10 HG12 VAL 10 19.129 4.890 -4.168 61 HG13 VAL 10 HG13 VAL 10 20.171 5.719 -5.325 62 HG21 VAL 10 HG21 VAL 10 17.785 3.213 -4.767 63 HG22 VAL 10 HG22 VAL 10 17.576 2.822 -6.474 64 HG23 VAL 10 HG23 VAL 10 18.708 1.895 -5.489 65 H VAL 11 H VAL 11 19.898 6.625 -7.293 66 HA VAL 11 HA VAL 11 22.665 6.334 -8.259 67 HB VAL 11 HB VAL 11 22.487 8.513 -9.375 68 HG11 VAL 11 HG11 VAL 11 20.346 6.597 -10.294 69 HG12 VAL 11 HG12 VAL 11 21.181 7.797 -11.282 70 HG13 VAL 11 HG13 VAL 11 22.070 6.424 -10.621 71 HG21 VAL 11 HG21 VAL 11 20.683 9.420 -7.942 72 HG22 VAL 11 HG22 VAL 11 20.363 9.623 -9.665 73 HG23 VAL 11 HG23 VAL 11 19.538 8.355 -8.758 74 H ILE 12 H ILE 12 24.208 7.657 -7.311 75 HA ILE 12 HA ILE 12 23.336 8.978 -4.832 76 HB ILE 12 HB ILE 12 26.191 8.270 -5.405 77 HG12 ILE 12 HG12 ILE 12 24.070 6.408 -4.315 78 HG13 ILE 12 HG13 ILE 12 24.957 6.212 -5.822 79 HG21 ILE 12 HG21 ILE 12 25.137 9.655 -3.396 80 HG22 ILE 12 HG22 ILE 12 24.914 8.034 -2.741 81 HG23 ILE 12 HG23 ILE 12 26.528 8.594 -3.179 82 HD11 ILE 12 HD11 ILE 12 27.028 5.936 -4.567 83 HD12 ILE 12 HD12 ILE 12 26.139 6.136 -3.057 84 HD13 ILE 12 HD13 ILE 12 25.817 4.746 -4.093 85 H ALA 13 H ALA 13 23.717 11.093 -4.499 86 HA ALA 13 HA ALA 13 24.556 12.710 -6.711 87 HB1 ALA 13 HB1 ALA 13 23.408 13.178 -4.031 88 HB2 ALA 13 HB2 ALA 13 24.376 14.487 -4.710 89 HB3 ALA 13 HB3 ALA 13 22.976 13.877 -5.592 90 H LEU 14 H LEU 14 26.514 13.508 -7.133 91 HA LEU 14 HA LEU 14 28.690 12.905 -5.295 92 HB2 LEU 14 HB2 LEU 14 29.031 14.260 -7.938 93 HB3 LEU 14 HB3 LEU 14 30.144 13.197 -7.080 94 HG LEU 14 HG LEU 14 27.660 12.397 -8.590 95 HD11 LEU 14 HD11 LEU 14 30.100 12.926 -9.594 96 HD12 LEU 14 HD12 LEU 14 29.005 11.715 -10.262 97 HD13 LEU 14 HD13 LEU 14 30.299 11.226 -9.168 98 HD21 LEU 14 HD21 LEU 14 29.563 10.656 -7.026 99 HD22 LEU 14 HD22 LEU 14 28.189 10.110 -7.987 100 HD23 LEU 14 HD23 LEU 14 27.921 11.072 -6.533 101 H TYR 15 H TYR 15 26.930 15.639 -6.559 102 HA TYR 15 HA TYR 15 28.237 17.358 -4.606 103 HB2 TYR 15 HB2 TYR 15 28.035 18.218 -7.494 104 HB3 TYR 15 HB3 TYR 15 28.813 19.081 -6.172 105 HD1 TYR 15 HD2 TYR 15 30.944 18.218 -5.224 106 HD2 TYR 15 HD1 TYR 15 29.175 16.503 -8.692 107 HE1 TYR 15 HE2 TYR 15 33.084 17.138 -5.774 108 HE2 TYR 15 HE1 TYR 15 31.309 15.416 -9.251 109 HH TYR 15 HH TYR 15 33.817 15.081 -7.108 110 H ASP 16 H ASP 16 27.042 19.249 -4.096 111 HA ASP 16 HA ASP 16 24.237 18.899 -4.162 112 HB2 ASP 16 HB2 ASP 16 25.123 20.060 -2.297 113 HB3 ASP 16 HB3 ASP 16 26.000 21.194 -3.321 114 H TYR 17 H TYR 17 23.263 18.937 -6.113 115 HA TYR 17 HA TYR 17 23.943 20.984 -8.059 116 HB2 TYR 17 HB2 TYR 17 23.594 18.787 -8.953 117 HB3 TYR 17 HB3 TYR 17 22.042 18.637 -8.135 118 HD1 TYR 17 HD1 TYR 17 23.796 20.667 -10.723 119 HD2 TYR 17 HD2 TYR 17 20.082 19.191 -9.261 120 HE1 TYR 17 HE1 TYR 17 22.665 21.551 -12.720 121 HE2 TYR 17 HE2 TYR 17 18.942 20.070 -11.255 122 HH TYR 17 HH TYR 17 20.608 21.135 -14.007 123 H GLN 18 H GLN 18 22.500 22.524 -8.864 124 HA GLN 18 HA GLN 18 19.995 22.898 -7.386 125 HB2 GLN 18 HB2 GLN 18 22.291 24.799 -7.577 126 HB3 GLN 18 HB3 GLN 18 20.657 25.448 -7.547 127 HG2 GLN 18 HG2 GLN 18 20.262 24.198 -5.438 128 HG3 GLN 18 HG3 GLN 18 21.961 23.728 -5.453 129 HE21 GLN 18 HE21 GLN 18 23.553 25.421 -5.336 130 HE22 GLN 18 HE22 GLN 18 23.178 26.895 -4.516 131 H THR 19 H THR 19 18.326 23.362 -8.666 132 HA THR 19 HA THR 19 18.853 23.875 -11.494 133 HB THR 19 HB THR 19 17.329 22.062 -11.104 134 HG1 THR 19 HG1 THR 19 15.325 23.154 -12.029 135 HG21 THR 19 HG21 THR 19 15.023 22.850 -10.032 136 HG22 THR 19 HG22 THR 19 16.095 23.971 -9.191 137 HG23 THR 19 HG23 THR 19 16.349 22.232 -9.049 138 H ASN 20 H ASN 20 17.490 25.441 -12.650 139 HA ASN 20 HA ASN 20 17.203 27.885 -11.068 140 HB2 ASN 20 HB2 ASN 20 17.410 29.097 -13.086 141 HB3 ASN 20 HB3 ASN 20 18.563 27.774 -13.235 142 HD21 ASN 20 HD21 ASN 20 16.844 29.473 -15.127 143 HD22 ASN 20 HD22 ASN 20 16.164 28.303 -16.201 144 H ASP 21 H ASP 21 15.347 25.533 -12.795 145 HA ASP 21 HA ASP 21 12.911 27.106 -12.270 146 HB2 ASP 21 HB2 ASP 21 13.740 25.552 -14.675 147 HB3 ASP 21 HB3 ASP 21 12.035 25.532 -14.231 148 HA PRO 22 HA PRO 22 11.316 23.761 -9.926 149 HB2 PRO 22 HB2 PRO 22 8.690 23.765 -10.613 150 HB3 PRO 22 HB3 PRO 22 9.420 25.017 -9.601 151 HG2 PRO 22 HG2 PRO 22 8.797 25.072 -12.529 152 HG3 PRO 22 HG3 PRO 22 8.546 26.333 -11.308 153 HD2 PRO 22 HD2 PRO 22 10.642 26.361 -13.021 154 HD3 PRO 22 HD3 PRO 22 10.749 27.010 -11.372 155 H GLN 23 H GLN 23 11.090 23.685 -13.361 156 HA GLN 23 HA GLN 23 9.814 21.232 -13.778 157 HB2 GLN 23 HB2 GLN 23 10.638 23.081 -15.453 158 HB3 GLN 23 HB3 GLN 23 12.087 22.087 -15.526 159 HG2 GLN 23 HG2 GLN 23 10.966 21.126 -17.224 160 HG3 GLN 23 HG3 GLN 23 10.261 20.184 -15.911 161 HE21 GLN 23 HE21 GLN 23 9.198 20.907 -18.556 162 HE22 GLN 23 HE22 GLN 23 7.693 21.699 -18.253 163 H GLU 24 H GLU 24 13.175 21.999 -13.049 164 HA GLU 24 HA GLU 24 13.813 19.132 -13.031 165 HB2 GLU 24 HB2 GLU 24 15.826 21.346 -12.742 166 HB3 GLU 24 HB3 GLU 24 16.080 19.695 -13.292 167 HG2 GLU 24 HG2 GLU 24 14.310 20.672 -15.139 168 HG3 GLU 24 HG3 GLU 24 15.319 22.074 -14.787 169 H LEU 25 H LEU 25 15.218 18.351 -11.272 170 HA LEU 25 HA LEU 25 14.423 19.572 -8.720 171 HB2 LEU 25 HB2 LEU 25 14.435 16.898 -9.678 172 HB3 LEU 25 HB3 LEU 25 15.591 17.008 -8.352 173 HG LEU 25 HG LEU 25 13.849 17.821 -6.867 174 HD11 LEU 25 HD11 LEU 25 12.466 18.293 -9.347 175 HD12 LEU 25 HD12 LEU 25 12.105 18.888 -7.727 176 HD13 LEU 25 HD13 LEU 25 11.478 17.325 -8.252 177 HD21 LEU 25 HD21 LEU 25 13.206 15.736 -6.404 178 HD22 LEU 25 HD22 LEU 25 14.100 15.257 -7.847 179 HD23 LEU 25 HD23 LEU 25 12.365 15.564 -7.945 180 H ALA 26 H ALA 26 16.057 19.083 -6.902 181 HA ALA 26 HA ALA 26 18.745 19.771 -7.895 182 HB1 ALA 26 HB1 ALA 26 18.699 20.495 -5.235 183 HB2 ALA 26 HB2 ALA 26 18.496 21.578 -6.612 184 HB3 ALA 26 HB3 ALA 26 17.081 20.908 -5.801 185 H LEU 27 H LEU 27 20.561 18.850 -6.882 186 HA LEU 27 HA LEU 27 19.990 16.298 -5.545 187 HB2 LEU 27 HB2 LEU 27 22.551 17.192 -6.856 188 HB3 LEU 27 HB3 LEU 27 22.167 15.573 -6.275 189 HG LEU 27 HG LEU 27 20.557 16.843 -8.463 190 HD11 LEU 27 HD11 LEU 27 23.222 16.637 -8.755 191 HD12 LEU 27 HD12 LEU 27 22.073 16.414 -10.073 192 HD13 LEU 27 HD13 LEU 27 22.732 15.011 -9.233 193 HD21 LEU 27 HD21 LEU 27 21.093 14.049 -7.498 194 HD22 LEU 27 HD22 LEU 27 20.400 14.377 -9.087 195 HD23 LEU 27 HD23 LEU 27 19.550 14.893 -7.629 196 H ARG 28 H ARG 28 21.581 15.586 -3.896 197 HA ARG 28 HA ARG 28 22.771 17.822 -2.407 198 HB2 ARG 28 HB2 ARG 28 20.856 15.744 -1.374 199 HB3 ARG 28 HB3 ARG 28 21.985 16.560 -0.300 200 HG2 ARG 28 HG2 ARG 28 20.047 18.033 -2.062 201 HG3 ARG 28 HG3 ARG 28 19.669 17.530 -0.413 202 HD2 ARG 28 HD2 ARG 28 22.110 19.158 -1.048 203 HD3 ARG 28 HD3 ARG 28 20.541 19.914 -0.774 204 HE ARG 28 HE ARG 28 21.222 18.117 1.326 205 HH11 ARG 28 HH11 ARG 28 21.843 21.306 0.075 206 HH12 ARG 28 HH12 ARG 28 22.269 21.971 1.617 207 HH21 ARG 28 HH21 ARG 28 21.781 18.980 3.362 208 HH22 ARG 28 HH22 ARG 28 22.234 20.647 3.486 209 H ARG 29 H ARG 29 24.806 17.445 -1.820 210 HA ARG 29 HA ARG 29 26.273 15.246 -2.596 211 HB2 ARG 29 HB2 ARG 29 27.109 17.515 -1.781 212 HB3 ARG 29 HB3 ARG 29 26.944 16.876 -0.151 213 HG2 ARG 29 HG2 ARG 29 28.423 14.934 -1.059 214 HG3 ARG 29 HG3 ARG 29 28.862 16.110 -2.300 215 HD2 ARG 29 HD2 ARG 29 29.298 17.698 -0.310 216 HD3 ARG 29 HD3 ARG 29 29.320 16.224 0.658 217 HE ARG 29 HE ARG 29 31.353 15.681 -0.260 218 HH11 ARG 29 HH11 ARG 29 29.913 18.282 -2.072 219 HH12 ARG 29 HH12 ARG 29 31.339 18.598 -3.003 220 HH21 ARG 29 HH21 ARG 29 33.238 16.088 -1.479 221 HH22 ARG 29 HH22 ARG 29 33.230 17.349 -2.665 222 H ASN 30 H ASN 30 26.703 13.270 -1.793 223 HA ASN 30 HA ASN 30 26.582 11.409 -0.491 224 HB2 ASN 30 HB2 ASN 30 27.647 13.046 1.166 225 HB3 ASN 30 HB3 ASN 30 26.041 13.205 1.870 226 HD21 ASN 30 HD21 ASN 30 25.796 12.011 3.600 227 HD22 ASN 30 HD22 ASN 30 26.479 10.448 3.871 228 H GLU 31 H GLU 31 24.324 11.942 -1.857 229 HA GLU 31 HA GLU 31 22.252 10.997 -0.014 230 HB2 GLU 31 HB2 GLU 31 22.183 13.565 -0.721 231 HB3 GLU 31 HB3 GLU 31 21.410 12.893 -2.150 232 HG2 GLU 31 HG2 GLU 31 19.606 13.353 -0.813 233 HG3 GLU 31 HG3 GLU 31 19.904 11.656 -0.438 234 H GLU 32 H GLU 32 20.469 9.905 -1.097 235 HA GLU 32 HA GLU 32 21.327 8.712 -3.650 236 HB2 GLU 32 HB2 GLU 32 20.054 7.576 -1.215 237 HB3 GLU 32 HB3 GLU 32 19.559 6.910 -2.765 238 HG2 GLU 32 HG2 GLU 32 21.613 6.003 -3.194 239 HG3 GLU 32 HG3 GLU 32 22.464 7.181 -2.197 240 H TYR 33 H TYR 33 19.695 8.180 -5.198 241 HA TYR 33 HA TYR 33 17.077 9.421 -4.829 242 HB2 TYR 33 HB2 TYR 33 18.965 10.105 -7.090 243 HB3 TYR 33 HB3 TYR 33 17.258 10.535 -7.060 244 HD1 TYR 33 HD1 TYR 33 16.429 12.225 -5.487 245 HD2 TYR 33 HD2 TYR 33 20.571 11.285 -5.737 246 HE1 TYR 33 HE1 TYR 33 16.965 14.290 -4.264 247 HE2 TYR 33 HE2 TYR 33 21.118 13.347 -4.513 248 HH TYR 33 HH TYR 33 18.604 15.665 -3.602 249 H CYS 34 H CYS 34 15.509 8.166 -5.598 250 HA CYS 34 HA CYS 34 16.096 5.677 -6.833 251 HB2 CYS 34 HB2 CYS 34 13.555 7.145 -6.183 252 HB3 CYS 34 HB3 CYS 34 13.516 5.658 -7.122 253 HG CYS 34 HG CYS 34 15.366 5.159 -4.464 254 H LEU 35 H LEU 35 16.876 5.642 -8.851 255 HA LEU 35 HA LEU 35 16.351 7.548 -10.845 256 HB2 LEU 35 HB2 LEU 35 18.181 5.659 -10.599 257 HB3 LEU 35 HB3 LEU 35 17.043 4.752 -11.593 258 HG LEU 35 HG LEU 35 18.808 5.778 -12.936 259 HD11 LEU 35 HD11 LEU 35 16.556 7.443 -13.776 260 HD12 LEU 35 HD12 LEU 35 16.133 5.760 -13.465 261 HD13 LEU 35 HD13 LEU 35 17.397 6.149 -14.631 262 HD21 LEU 35 HD21 LEU 35 18.016 8.495 -12.911 263 HD22 LEU 35 HD22 LEU 35 19.575 7.804 -12.462 264 HD23 LEU 35 HD23 LEU 35 18.316 8.011 -11.242 265 H LEU 36 H LEU 36 14.793 7.747 -12.345 266 HA LEU 36 HA LEU 36 12.759 5.619 -12.485 267 HB2 LEU 36 HB2 LEU 36 12.461 8.609 -12.635 268 HB3 LEU 36 HB3 LEU 36 11.191 7.493 -13.134 269 HG LEU 36 HG LEU 36 11.862 6.688 -10.554 270 HD11 LEU 36 HD11 LEU 36 12.384 8.441 -9.279 271 HD12 LEU 36 HD12 LEU 36 11.226 9.491 -10.096 272 HD13 LEU 36 HD13 LEU 36 12.833 9.248 -10.782 273 HD21 LEU 36 HD21 LEU 36 9.607 8.572 -10.968 274 HD22 LEU 36 HD22 LEU 36 9.641 7.002 -10.165 275 HD23 LEU 36 HD23 LEU 36 9.627 7.092 -11.927 276 H ASP 37 H ASP 37 14.340 8.227 -14.298 277 HA ASP 37 HA ASP 37 14.112 6.596 -16.719 278 HB2 ASP 37 HB2 ASP 37 12.409 8.712 -16.312 279 HB3 ASP 37 HB3 ASP 37 13.720 9.462 -17.219 280 H SER 38 H SER 38 16.043 6.389 -17.619 281 HA SER 38 HA SER 38 17.937 8.628 -17.469 282 HB2 SER 38 HB2 SER 38 19.766 6.885 -17.131 283 HB3 SER 38 HB3 SER 38 18.723 7.192 -15.743 284 HG SER 38 HG SER 38 18.990 4.924 -17.295 285 H SER 39 H SER 39 17.635 9.148 -19.615 286 HA SER 39 HA SER 39 18.174 7.064 -21.608 287 HB2 SER 39 HB2 SER 39 16.206 8.139 -22.243 288 HB3 SER 39 HB3 SER 39 16.777 9.719 -21.705 289 HG SER 39 HG SER 39 16.991 8.559 -24.135 290 H GLU 40 H GLU 40 19.192 10.311 -20.627 291 HA GLU 40 HA GLU 40 21.859 9.795 -21.608 292 HB2 GLU 40 HB2 GLU 40 20.074 11.050 -23.337 293 HB3 GLU 40 HB3 GLU 40 21.001 12.372 -22.643 294 HG2 GLU 40 HG2 GLU 40 22.638 11.939 -24.056 295 HG3 GLU 40 HG3 GLU 40 22.845 10.355 -23.312 296 H ILE 41 H ILE 41 23.394 11.442 -20.949 297 HA ILE 41 HA ILE 41 23.062 12.281 -18.318 298 HB ILE 41 HB ILE 41 25.269 12.019 -19.295 299 HG12 ILE 41 HG12 ILE 41 24.824 14.903 -18.497 300 HG13 ILE 41 HG13 ILE 41 24.939 13.562 -17.363 301 HG21 ILE 41 HG21 ILE 41 24.610 12.907 -21.546 302 HG22 ILE 41 HG22 ILE 41 24.759 14.530 -20.874 303 HG23 ILE 41 HG23 ILE 41 26.169 13.474 -20.949 304 HD11 ILE 41 HD11 ILE 41 27.170 13.851 -19.263 305 HD12 ILE 41 HD12 ILE 41 27.009 15.108 -18.037 306 HD13 ILE 41 HD13 ILE 41 27.176 13.421 -17.553 307 H HIS 42 H HIS 42 21.936 13.705 -21.213 308 HA HIS 42 HA HIS 42 21.901 16.414 -20.648 309 HB2 HIS 42 HB2 HIS 42 19.957 14.670 -22.154 310 HB3 HIS 42 HB3 HIS 42 19.750 16.415 -22.041 311 HD1 HIS 42 HD1 HIS 42 22.841 14.313 -22.784 312 HD2 HIS 42 HD2 HIS 42 20.594 17.410 -24.404 313 HE1 HIS 42 HE1 HIS 42 24.056 15.003 -24.875 314 H TRP 43 H TRP 43 19.546 13.930 -19.710 315 HA TRP 43 HA TRP 43 18.804 15.480 -17.389 316 HB2 TRP 43 HB2 TRP 43 16.404 15.539 -17.914 317 HB3 TRP 43 HB3 TRP 43 17.339 16.456 -19.092 318 HD1 TRP 43 HD1 TRP 43 17.307 15.627 -21.594 319 HE1 TRP 43 HE1 TRP 43 15.910 13.865 -22.847 320 HE3 TRP 43 HE3 TRP 43 15.274 13.198 -17.581 321 HZ2 TRP 43 HZ2 TRP 43 14.176 11.729 -22.218 322 HZ3 TRP 43 HZ3 TRP 43 13.756 11.306 -17.993 323 HH2 TRP 43 HH2 TRP 43 13.219 10.589 -20.264 324 H TRP 44 H TRP 44 18.422 14.147 -15.740 325 HA TRP 44 HA TRP 44 17.661 11.365 -16.349 326 HB2 TRP 44 HB2 TRP 44 19.824 12.455 -14.641 327 HB3 TRP 44 HB3 TRP 44 18.931 11.086 -13.985 328 HD1 TRP 44 HD1 TRP 44 19.606 11.332 -17.741 329 HE1 TRP 44 HE1 TRP 44 21.212 9.438 -18.415 330 HE3 TRP 44 HE3 TRP 44 20.781 9.571 -13.088 331 HZ2 TRP 44 HZ2 TRP 44 22.771 7.458 -17.143 332 HZ3 TRP 44 HZ3 TRP 44 22.337 7.674 -12.903 333 HH2 TRP 44 HH2 TRP 44 23.310 6.641 -14.890 334 H ARG 45 H ARG 45 15.670 10.973 -15.661 335 HA ARG 45 HA ARG 45 14.408 12.598 -13.656 336 HB2 ARG 45 HB2 ARG 45 13.581 10.745 -15.691 337 HB3 ARG 45 HB3 ARG 45 12.831 10.310 -14.161 338 HG2 ARG 45 HG2 ARG 45 12.385 12.952 -14.137 339 HG3 ARG 45 HG3 ARG 45 12.411 12.668 -15.879 340 HD2 ARG 45 HD2 ARG 45 10.798 10.916 -14.063 341 HD3 ARG 45 HD3 ARG 45 10.169 12.472 -14.603 342 HE ARG 45 HE ARG 45 11.129 10.783 -16.729 343 HH11 ARG 45 HH11 ARG 45 8.406 11.638 -14.736 344 HH12 ARG 45 HH12 ARG 45 7.229 11.068 -15.872 345 HH21 ARG 45 HH21 ARG 45 9.589 10.028 -18.233 346 HH22 ARG 45 HH22 ARG 45 7.903 10.151 -17.860 347 H VAL 46 H VAL 46 14.663 12.309 -11.551 348 HA VAL 46 HA VAL 46 14.844 9.567 -10.507 349 HB VAL 46 HB VAL 46 16.552 10.183 -8.919 350 HG11 VAL 46 HG11 VAL 46 18.271 9.916 -10.353 351 HG12 VAL 46 HG12 VAL 46 16.985 9.763 -11.551 352 HG13 VAL 46 HG13 VAL 46 17.808 11.307 -11.333 353 HG21 VAL 46 HG21 VAL 46 16.399 12.925 -10.164 354 HG22 VAL 46 HG22 VAL 46 15.973 12.484 -8.510 355 HG23 VAL 46 HG23 VAL 46 17.653 12.404 -9.039 356 H GLN 47 H GLN 47 14.461 9.511 -8.102 357 HA GLN 47 HA GLN 47 12.570 11.613 -7.283 358 HB2 GLN 47 HB2 GLN 47 11.245 9.714 -7.918 359 HB3 GLN 47 HB3 GLN 47 12.271 8.623 -6.997 360 HG2 GLN 47 HG2 GLN 47 11.453 9.405 -4.945 361 HG3 GLN 47 HG3 GLN 47 10.732 10.834 -5.684 362 HE21 GLN 47 HE21 GLN 47 8.615 10.710 -5.586 363 HE22 GLN 47 HE22 GLN 47 7.658 9.304 -5.886 364 H ASP 48 H ASP 48 12.624 12.242 -5.161 365 HA ASP 48 HA ASP 48 15.023 11.613 -3.706 366 HB2 ASP 48 HB2 ASP 48 12.667 13.400 -3.086 367 HB3 ASP 48 HB3 ASP 48 14.050 13.216 -2.012 368 H ARG 49 H ARG 49 14.470 11.540 -1.118 369 HA ARG 49 HA ARG 49 13.126 8.969 -0.812 370 HB2 ARG 49 HB2 ARG 49 14.238 8.811 1.316 371 HB3 ARG 49 HB3 ARG 49 15.413 9.321 0.111 372 HG2 ARG 49 HG2 ARG 49 14.645 11.723 0.988 373 HG3 ARG 49 HG3 ARG 49 14.330 10.774 2.442 374 HD2 ARG 49 HD2 ARG 49 16.859 10.013 1.352 375 HD3 ARG 49 HD3 ARG 49 16.800 11.769 1.503 376 HE ARG 49 HE ARG 49 16.830 11.544 3.784 377 HH11 ARG 49 HH11 ARG 49 16.116 8.462 2.330 378 HH12 ARG 49 HH12 ARG 49 16.254 7.582 3.816 379 HH21 ARG 49 HH21 ARG 49 17.014 10.397 5.747 380 HH22 ARG 49 HH22 ARG 49 16.764 8.684 5.759 381 H ASN 50 H ASN 50 11.843 11.756 -1.052 382 HA ASN 50 HA ASN 50 10.184 11.566 1.377 383 HB2 ASN 50 HB2 ASN 50 10.531 14.045 -0.311 384 HB3 ASN 50 HB3 ASN 50 9.810 13.922 1.291 385 HD21 ASN 50 HD21 ASN 50 12.808 13.721 -0.512 386 HD22 ASN 50 HD22 ASN 50 13.853 14.060 0.822 387 H GLY 51 H GLY 51 10.263 11.671 -2.087 388 HA2 GLY 51 HA2 GLY 51 8.355 10.474 -3.137 389 HA3 GLY 51 HA3 GLY 51 7.315 11.460 -2.120 390 H HIS 52 H HIS 52 10.156 12.791 -3.634 391 HA HIS 52 HA HIS 52 8.413 14.267 -5.496 392 HB2 HIS 52 HB2 HIS 52 10.978 15.284 -4.261 393 HB3 HIS 52 HB3 HIS 52 9.848 16.195 -5.258 394 HD1 HIS 52 HD1 HIS 52 10.638 15.425 -1.805 395 HD2 HIS 52 HD2 HIS 52 7.253 16.571 -3.923 396 HE1 HIS 52 HE1 HIS 52 9.020 16.276 -0.078 397 H GLU 53 H GLU 53 8.841 14.013 -7.586 398 HA GLU 53 HA GLU 53 11.459 12.894 -8.342 399 HB2 GLU 53 HB2 GLU 53 8.939 12.702 -9.983 400 HB3 GLU 53 HB3 GLU 53 10.421 11.773 -10.159 401 HG2 GLU 53 HG2 GLU 53 9.358 10.182 -9.030 402 HG3 GLU 53 HG3 GLU 53 9.659 11.172 -7.603 403 H GLY 54 H GLY 54 12.632 13.828 -9.967 404 HA2 GLY 54 HA2 GLY 54 11.502 15.904 -11.628 405 HA3 GLY 54 HA3 GLY 54 12.625 16.498 -10.414 406 H TYR 55 H TYR 55 13.523 17.148 -12.685 407 HA TYR 55 HA TYR 55 15.144 15.003 -13.835 408 HB2 TYR 55 HB2 TYR 55 14.636 17.839 -14.754 409 HB3 TYR 55 HB3 TYR 55 15.679 16.695 -15.592 410 HD1 TYR 55 HD1 TYR 55 12.188 17.408 -14.618 411 HD2 TYR 55 HD2 TYR 55 14.768 14.998 -16.992 412 HE1 TYR 55 HE1 TYR 55 10.241 16.551 -15.852 413 HE2 TYR 55 HE2 TYR 55 12.828 14.135 -18.234 414 HH TYR 55 HH TYR 55 10.597 14.572 -18.701 415 H VAL 56 H VAL 56 17.328 14.921 -13.710 416 HA VAL 56 HA VAL 56 18.809 17.176 -12.606 417 HB VAL 56 HB VAL 56 20.008 15.559 -11.029 418 HG11 VAL 56 HG11 VAL 56 18.171 17.366 -10.541 419 HG12 VAL 56 HG12 VAL 56 17.191 15.955 -10.139 420 HG13 VAL 56 HG13 VAL 56 18.700 16.257 -9.277 421 HG21 VAL 56 HG21 VAL 56 19.123 13.483 -11.915 422 HG22 VAL 56 HG22 VAL 56 18.648 13.668 -10.226 423 HG23 VAL 56 HG23 VAL 56 17.480 13.982 -11.510 424 HA PRO 57 HA PRO 57 21.954 15.861 -15.372 425 HB2 PRO 57 HB2 PRO 57 24.193 16.634 -14.048 426 HB3 PRO 57 HB3 PRO 57 23.087 17.780 -14.814 427 HG2 PRO 57 HG2 PRO 57 23.290 16.979 -11.937 428 HG3 PRO 57 HG3 PRO 57 23.068 18.594 -12.636 429 HD2 PRO 57 HD2 PRO 57 21.018 17.160 -11.599 430 HD3 PRO 57 HD3 PRO 57 20.808 18.279 -12.962 431 H SER 58 H SER 58 22.992 14.008 -15.822 432 HA SER 58 HA SER 58 23.208 11.989 -13.784 433 HB2 SER 58 HB2 SER 58 22.485 11.466 -16.105 434 HB3 SER 58 HB3 SER 58 24.100 11.885 -16.676 435 HG SER 58 HG SER 58 23.836 9.992 -14.628 436 H SER 59 H SER 59 25.333 14.227 -15.362 437 HA SER 59 HA SER 59 27.797 12.967 -14.946 438 HB2 SER 59 HB2 SER 59 28.469 15.583 -14.729 439 HB3 SER 59 HB3 SER 59 28.147 14.785 -16.268 440 HG SER 59 HG SER 59 26.165 15.685 -16.337 441 H TYR 60 H TYR 60 25.610 14.359 -12.724 442 HA TYR 60 HA TYR 60 27.681 14.385 -10.628 443 HB2 TYR 60 HB2 TYR 60 25.020 15.823 -10.660 444 HB3 TYR 60 HB3 TYR 60 26.223 15.909 -9.378 445 HD1 TYR 60 HD2 TYR 60 25.905 16.505 -13.053 446 HD2 TYR 60 HD1 TYR 60 27.713 17.676 -9.384 447 HE1 TYR 60 HE2 TYR 60 26.975 18.404 -14.193 448 HE2 TYR 60 HE1 TYR 60 28.787 19.579 -10.514 449 HH TYR 60 HH TYR 60 29.457 20.244 -12.766 450 H LEU 61 H LEU 61 26.015 12.124 -11.723 451 HA LEU 61 HA LEU 61 25.054 11.168 -9.124 452 HB2 LEU 61 HB2 LEU 61 23.540 11.232 -11.705 453 HB3 LEU 61 HB3 LEU 61 23.207 9.986 -10.503 454 HG LEU 61 HG LEU 61 23.054 12.927 -9.881 455 HD11 LEU 61 HD11 LEU 61 20.922 11.082 -10.933 456 HD12 LEU 61 HD12 LEU 61 21.474 12.606 -11.625 457 HD13 LEU 61 HD13 LEU 61 20.577 12.601 -10.107 458 HD21 LEU 61 HD21 LEU 61 22.984 12.005 -7.831 459 HD22 LEU 61 HD22 LEU 61 22.554 10.409 -8.446 460 HD23 LEU 61 HD23 LEU 61 21.311 11.646 -8.258 461 H VAL 62 H VAL 62 25.652 9.133 -8.657 462 HA VAL 62 HA VAL 62 26.927 7.569 -10.807 463 HB VAL 62 HB VAL 62 28.422 8.368 -8.937 464 HG11 VAL 62 HG11 VAL 62 26.427 7.636 -7.282 465 HG12 VAL 62 HG12 VAL 62 27.454 6.204 -7.186 466 HG13 VAL 62 HG13 VAL 62 28.110 7.790 -6.779 467 HG21 VAL 62 HG21 VAL 62 29.064 6.512 -10.354 468 HG22 VAL 62 HG22 VAL 62 29.559 6.192 -8.692 469 HG23 VAL 62 HG23 VAL 62 28.133 5.394 -9.356 470 H GLU 63 H GLU 63 26.305 5.499 -11.144 471 HA GLU 63 HA GLU 63 23.804 4.628 -10.180 472 HB2 GLU 63 HB2 GLU 63 25.709 3.782 -12.127 473 HB3 GLU 63 HB3 GLU 63 25.284 2.394 -11.137 474 HG2 GLU 63 HG2 GLU 63 23.092 2.410 -11.804 475 HG3 GLU 63 HG3 GLU 63 23.111 4.128 -12.198 476 H LYS 64 H LYS 64 23.366 3.923 -8.208 477 HA LYS 64 HA LYS 64 25.414 2.964 -6.440 478 HB2 LYS 64 HB2 LYS 64 23.414 4.330 -5.736 479 HB3 LYS 64 HB3 LYS 64 22.426 2.901 -6.007 480 HG2 LYS 64 HG2 LYS 64 24.760 2.487 -4.275 481 HG3 LYS 64 HG3 LYS 64 23.527 3.576 -3.635 482 HD2 LYS 64 HD2 LYS 64 22.212 1.332 -4.774 483 HD3 LYS 64 HD3 LYS 64 23.509 0.734 -3.737 484 HE2 LYS 64 HE2 LYS 64 21.955 0.972 -2.119 485 HE3 LYS 64 HE3 LYS 64 22.487 2.653 -2.150 486 HZ1 LYS 64 HZ1 LYS 64 20.418 1.999 -4.061 487 HZ2 LYS 64 HZ2 LYS 64 20.557 3.331 -3.028 488 HZ3 LYS 64 HZ3 LYS 64 19.944 1.866 -2.443 489 H SER 65 H SER 65 26.233 1.055 -7.242 490 HA SER 65 HA SER 65 24.613 -1.292 -6.768 491 HB2 SER 65 HB2 SER 65 25.881 -0.988 -9.491 492 HB3 SER 65 HB3 SER 65 24.774 -2.247 -8.945 493 HG SER 65 HG SER 65 23.138 -0.682 -8.834 494 HA PRO 66 HA PRO 66 29.148 -1.600 -5.734 495 HB2 PRO 66 HB2 PRO 66 28.761 -2.375 -3.161 496 HB3 PRO 66 HB3 PRO 66 28.841 -0.679 -3.652 497 HG2 PRO 66 HG2 PRO 66 26.440 -2.381 -3.108 498 HG3 PRO 66 HG3 PRO 66 26.756 -0.705 -2.623 499 HD2 PRO 66 HD2 PRO 66 25.182 -1.340 -4.733 500 HD3 PRO 66 HD3 PRO 66 26.170 0.135 -4.689 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -0.267 0.320 1.421 2 HA2 GLY 1 HA2 GLY 1 -2.251 1.991 0.078 3 HA3 GLY 1 HA3 GLY 1 -0.588 2.560 0.048 4 HA PRO 2 HA PRO 2 -1.524 -0.466 -3.474 5 HB2 PRO 2 HB2 PRO 2 -1.391 1.319 -5.515 6 HB3 PRO 2 HB3 PRO 2 -2.895 0.938 -4.668 7 HG2 PRO 2 HG2 PRO 2 -1.050 3.267 -4.298 8 HG3 PRO 2 HG3 PRO 2 -2.823 3.241 -4.351 9 HD2 PRO 2 HD2 PRO 2 -1.436 3.368 -2.029 10 HD3 PRO 2 HD3 PRO 2 -3.002 2.544 -2.161 11 H LEU 3 H LEU 3 0.342 -1.533 -3.706 12 HA LEU 3 HA LEU 3 2.890 -0.265 -3.746 13 HB2 LEU 3 HB2 LEU 3 1.906 -3.056 -4.154 14 HB3 LEU 3 HB3 LEU 3 3.574 -2.650 -4.553 15 HG LEU 3 HG LEU 3 2.472 -2.035 -1.836 16 HD11 LEU 3 HD11 LEU 3 3.407 -4.694 -2.872 17 HD12 LEU 3 HD12 LEU 3 1.935 -4.316 -1.979 18 HD13 LEU 3 HD13 LEU 3 3.498 -4.262 -1.165 19 HD21 LEU 3 HD21 LEU 3 5.245 -2.833 -2.688 20 HD22 LEU 3 HD22 LEU 3 4.743 -2.083 -1.173 21 HD23 LEU 3 HD23 LEU 3 4.687 -1.160 -2.675 22 H GLY 4 H GLY 4 4.491 -0.959 -5.571 23 HA2 GLY 4 HA2 GLY 4 4.866 -1.268 -7.905 24 HA3 GLY 4 HA3 GLY 4 3.212 -0.755 -8.208 25 H SER 5 H SER 5 6.471 0.299 -7.516 26 HA SER 5 HA SER 5 5.755 2.960 -8.533 27 HB2 SER 5 HB2 SER 5 5.984 3.655 -6.370 28 HB3 SER 5 HB3 SER 5 6.995 2.280 -5.925 29 HG SER 5 HG SER 5 8.454 3.839 -5.963 30 HA PRO 6 HA PRO 6 9.256 2.550 -11.148 31 HB2 PRO 6 HB2 PRO 6 10.038 5.138 -11.388 32 HB3 PRO 6 HB3 PRO 6 8.580 4.500 -12.157 33 HG2 PRO 6 HG2 PRO 6 8.855 6.062 -9.618 34 HG3 PRO 6 HG3 PRO 6 7.658 6.236 -10.914 35 HD2 PRO 6 HD2 PRO 6 7.119 4.942 -8.597 36 HD3 PRO 6 HD3 PRO 6 6.383 4.476 -10.145 37 H GLU 7 H GLU 7 10.142 1.580 -8.902 38 HA GLU 7 HA GLU 7 12.631 3.051 -8.335 39 HB2 GLU 7 HB2 GLU 7 12.531 1.930 -6.055 40 HB3 GLU 7 HB3 GLU 7 11.382 3.229 -6.340 41 HG2 GLU 7 HG2 GLU 7 9.586 1.842 -6.313 42 HG3 GLU 7 HG3 GLU 7 10.495 0.470 -6.945 43 H GLU 8 H GLU 8 13.868 1.904 -9.798 44 HA GLU 8 HA GLU 8 14.186 -0.968 -9.218 45 HB2 GLU 8 HB2 GLU 8 15.069 -1.064 -11.627 46 HB3 GLU 8 HB3 GLU 8 13.333 -0.905 -11.399 47 HG2 GLU 8 HG2 GLU 8 14.815 1.623 -11.639 48 HG3 GLU 8 HG3 GLU 8 14.785 0.611 -13.082 49 H THR 9 H THR 9 15.784 2.061 -10.008 50 HA THR 9 HA THR 9 18.267 0.978 -8.882 51 HB THR 9 HB THR 9 18.237 2.663 -11.390 52 HG1 THR 9 HG1 THR 9 18.468 0.815 -12.527 53 HG21 THR 9 HG21 THR 9 20.428 1.184 -9.932 54 HG22 THR 9 HG22 THR 9 20.261 2.932 -10.104 55 HG23 THR 9 HG23 THR 9 20.611 1.935 -11.516 56 H VAL 10 H VAL 10 19.657 2.534 -7.955 57 HA VAL 10 HA VAL 10 18.396 5.160 -7.494 58 HB VAL 10 HB VAL 10 20.245 3.798 -5.545 59 HG11 VAL 10 HG11 VAL 10 18.341 6.123 -5.376 60 HG12 VAL 10 HG12 VAL 10 19.067 5.360 -3.960 61 HG13 VAL 10 HG13 VAL 10 20.091 6.138 -5.168 62 HG21 VAL 10 HG21 VAL 10 17.725 3.658 -4.444 63 HG22 VAL 10 HG22 VAL 10 17.452 3.214 -6.129 64 HG23 VAL 10 HG23 VAL 10 18.618 2.315 -5.159 65 H VAL 11 H VAL 11 19.837 6.949 -7.122 66 HA VAL 11 HA VAL 11 22.540 6.553 -8.226 67 HB VAL 11 HB VAL 11 22.366 8.760 -9.321 68 HG11 VAL 11 HG11 VAL 11 20.098 7.030 -10.262 69 HG12 VAL 11 HG12 VAL 11 21.208 8.011 -11.222 70 HG13 VAL 11 HG13 VAL 11 21.783 6.541 -10.435 71 HG21 VAL 11 HG21 VAL 11 20.623 9.691 -7.845 72 HG22 VAL 11 HG22 VAL 11 20.226 9.867 -9.555 73 HG23 VAL 11 HG23 VAL 11 19.442 8.614 -8.592 74 H ILE 12 H ILE 12 24.182 7.762 -7.331 75 HA ILE 12 HA ILE 12 23.501 9.119 -4.817 76 HB ILE 12 HB ILE 12 26.275 8.306 -5.641 77 HG12 ILE 12 HG12 ILE 12 24.216 6.620 -4.202 78 HG13 ILE 12 HG13 ILE 12 24.889 6.302 -5.796 79 HG21 ILE 12 HG21 ILE 12 25.030 8.606 -2.914 80 HG22 ILE 12 HG22 ILE 12 26.736 8.374 -3.290 81 HG23 ILE 12 HG23 ILE 12 25.931 9.877 -3.740 82 HD11 ILE 12 HD11 ILE 12 27.112 6.039 -4.758 83 HD12 ILE 12 HD12 ILE 12 26.360 6.244 -3.175 84 HD13 ILE 12 HD13 ILE 12 25.928 4.865 -4.185 85 H ALA 13 H ALA 13 23.930 11.226 -4.496 86 HA ALA 13 HA ALA 13 24.676 12.839 -6.754 87 HB1 ALA 13 HB1 ALA 13 23.088 13.943 -5.548 88 HB2 ALA 13 HB2 ALA 13 23.693 13.354 -3.999 89 HB3 ALA 13 HB3 ALA 13 24.536 14.656 -4.838 90 H LEU 14 H LEU 14 26.636 13.570 -7.258 91 HA LEU 14 HA LEU 14 28.853 13.006 -5.458 92 HB2 LEU 14 HB2 LEU 14 29.148 14.268 -8.150 93 HB3 LEU 14 HB3 LEU 14 30.261 13.208 -7.289 94 HG LEU 14 HG LEU 14 27.681 12.359 -8.606 95 HD11 LEU 14 HD11 LEU 14 29.574 11.021 -9.916 96 HD12 LEU 14 HD12 LEU 14 30.503 12.460 -9.498 97 HD13 LEU 14 HD13 LEU 14 29.011 12.613 -10.425 98 HD21 LEU 14 HD21 LEU 14 27.869 10.383 -7.597 99 HD22 LEU 14 HD22 LEU 14 29.010 11.159 -6.499 100 HD23 LEU 14 HD23 LEU 14 29.601 10.295 -7.919 101 H TYR 15 H TYR 15 27.050 15.701 -6.711 102 HA TYR 15 HA TYR 15 28.466 17.477 -4.889 103 HB2 TYR 15 HB2 TYR 15 28.131 18.188 -7.809 104 HB3 TYR 15 HB3 TYR 15 28.893 19.174 -6.565 105 HD1 TYR 15 HD2 TYR 15 31.098 18.544 -5.662 106 HD2 TYR 15 HD1 TYR 15 29.311 16.383 -8.862 107 HE1 TYR 15 HE2 TYR 15 33.276 17.529 -6.185 108 HE2 TYR 15 HE1 TYR 15 31.484 15.361 -9.393 109 HH TYR 15 HH TYR 15 34.091 15.408 -7.324 110 H ASP 16 H ASP 16 27.309 19.410 -4.404 111 HA ASP 16 HA ASP 16 24.493 19.052 -4.319 112 HB2 ASP 16 HB2 ASP 16 24.520 21.404 -3.372 113 HB3 ASP 16 HB3 ASP 16 25.496 20.221 -2.505 114 H TYR 17 H TYR 17 23.855 18.879 -6.506 115 HA TYR 17 HA TYR 17 24.350 20.936 -8.410 116 HB2 TYR 17 HB2 TYR 17 23.875 18.716 -9.201 117 HB3 TYR 17 HB3 TYR 17 22.336 18.684 -8.348 118 HD1 TYR 17 HD1 TYR 17 24.126 20.633 -10.985 119 HD2 TYR 17 HD2 TYR 17 20.403 19.183 -9.521 120 HE1 TYR 17 HE1 TYR 17 23.004 21.502 -12.994 121 HE2 TYR 17 HE2 TYR 17 19.271 20.047 -11.526 122 HH TYR 17 HH TYR 17 19.664 21.816 -13.242 123 H GLN 18 H GLN 18 22.945 22.510 -9.216 124 HA GLN 18 HA GLN 18 20.514 23.039 -7.663 125 HB2 GLN 18 HB2 GLN 18 22.872 24.843 -8.019 126 HB3 GLN 18 HB3 GLN 18 21.264 25.550 -7.926 127 HG2 GLN 18 HG2 GLN 18 20.986 24.217 -5.773 128 HG3 GLN 18 HG3 GLN 18 22.729 23.963 -5.848 129 HE21 GLN 18 HE21 GLN 18 21.237 25.360 -3.829 130 HE22 GLN 18 HE22 GLN 18 21.818 26.987 -3.810 131 H THR 19 H THR 19 18.817 23.586 -8.882 132 HA THR 19 HA THR 19 19.265 23.986 -11.748 133 HB THR 19 HB THR 19 17.717 22.216 -11.278 134 HG1 THR 19 HG1 THR 19 15.911 24.254 -11.937 135 HG21 THR 19 HG21 THR 19 15.463 23.104 -10.144 136 HG22 THR 19 HG22 THR 19 16.615 24.168 -9.338 137 HG23 THR 19 HG23 THR 19 16.791 22.418 -9.209 138 H ASN 20 H ASN 20 18.031 25.600 -12.904 139 HA ASN 20 HA ASN 20 17.813 28.067 -11.365 140 HB2 ASN 20 HB2 ASN 20 19.120 28.171 -13.410 141 HB3 ASN 20 HB3 ASN 20 17.762 27.554 -14.346 142 HD21 ASN 20 HD21 ASN 20 17.832 29.385 -15.673 143 HD22 ASN 20 HD22 ASN 20 17.221 30.911 -15.141 144 H ASP 21 H ASP 21 15.831 25.798 -13.119 145 HA ASP 21 HA ASP 21 13.460 27.430 -12.483 146 HB2 ASP 21 HB2 ASP 21 14.154 25.793 -14.878 147 HB3 ASP 21 HB3 ASP 21 12.465 25.860 -14.382 148 HA PRO 22 HA PRO 22 11.842 24.183 -10.021 149 HB2 PRO 22 HB2 PRO 22 9.195 24.261 -10.619 150 HB3 PRO 22 HB3 PRO 22 9.999 25.506 -9.657 151 HG2 PRO 22 HG2 PRO 22 9.278 25.528 -12.562 152 HG3 PRO 22 HG3 PRO 22 9.110 26.819 -11.358 153 HD2 PRO 22 HD2 PRO 22 11.146 26.747 -13.141 154 HD3 PRO 22 HD3 PRO 22 11.330 27.422 -11.510 155 H GLN 23 H GLN 23 11.492 24.052 -13.445 156 HA GLN 23 HA GLN 23 10.118 21.648 -13.787 157 HB2 GLN 23 HB2 GLN 23 10.957 23.408 -15.523 158 HB3 GLN 23 HB3 GLN 23 12.399 22.404 -15.580 159 HG2 GLN 23 HG2 GLN 23 11.180 20.537 -16.368 160 HG3 GLN 23 HG3 GLN 23 9.636 21.318 -16.029 161 HE21 GLN 23 HE21 GLN 23 8.641 22.096 -17.732 162 HE22 GLN 23 HE22 GLN 23 9.385 22.646 -19.191 163 H GLU 24 H GLU 24 13.530 22.274 -13.151 164 HA GLU 24 HA GLU 24 14.037 19.383 -13.082 165 HB2 GLU 24 HB2 GLU 24 16.154 21.504 -12.858 166 HB3 GLU 24 HB3 GLU 24 16.319 19.838 -13.395 167 HG2 GLU 24 HG2 GLU 24 14.564 20.879 -15.221 168 HG3 GLU 24 HG3 GLU 24 15.643 22.236 -14.901 169 H LEU 25 H LEU 25 15.548 18.635 -11.342 170 HA LEU 25 HA LEU 25 14.806 19.907 -8.795 171 HB2 LEU 25 HB2 LEU 25 14.701 17.218 -9.699 172 HB3 LEU 25 HB3 LEU 25 15.897 17.308 -8.408 173 HG LEU 25 HG LEU 25 14.232 18.198 -6.887 174 HD11 LEU 25 HD11 LEU 25 11.790 17.839 -8.105 175 HD12 LEU 25 HD12 LEU 25 12.757 18.620 -9.355 176 HD13 LEU 25 HD13 LEU 25 12.571 19.386 -7.777 177 HD21 LEU 25 HD21 LEU 25 13.697 15.653 -8.339 178 HD22 LEU 25 HD22 LEU 25 12.545 16.199 -7.121 179 HD23 LEU 25 HD23 LEU 25 14.229 15.915 -6.678 180 H ALA 26 H ALA 26 16.464 19.377 -7.001 181 HA ALA 26 HA ALA 26 19.156 19.942 -8.062 182 HB1 ALA 26 HB1 ALA 26 19.156 20.748 -5.412 183 HB2 ALA 26 HB2 ALA 26 19.036 21.792 -6.829 184 HB3 ALA 26 HB3 ALA 26 17.573 21.241 -6.013 185 H LEU 27 H LEU 27 20.955 19.008 -7.010 186 HA LEU 27 HA LEU 27 20.302 16.534 -5.563 187 HB2 LEU 27 HB2 LEU 27 22.826 17.250 -7.046 188 HB3 LEU 27 HB3 LEU 27 22.453 15.693 -6.310 189 HG LEU 27 HG LEU 27 20.774 16.829 -8.526 190 HD11 LEU 27 HD11 LEU 27 23.429 15.490 -8.675 191 HD12 LEU 27 HD12 LEU 27 22.753 16.773 -9.677 192 HD13 LEU 27 HD13 LEU 27 22.209 15.109 -9.891 193 HD21 LEU 27 HD21 LEU 27 19.809 14.999 -7.265 194 HD22 LEU 27 HD22 LEU 27 21.268 14.036 -7.498 195 HD23 LEU 27 HD23 LEU 27 20.254 14.450 -8.881 196 H ARG 28 H ARG 28 21.736 15.855 -3.842 197 HA ARG 28 HA ARG 28 23.102 18.102 -2.514 198 HB2 ARG 28 HB2 ARG 28 20.911 17.536 -1.454 199 HB3 ARG 28 HB3 ARG 28 21.532 15.923 -1.129 200 HG2 ARG 28 HG2 ARG 28 21.834 17.050 0.877 201 HG3 ARG 28 HG3 ARG 28 23.427 17.115 0.119 202 HD2 ARG 28 HD2 ARG 28 22.988 19.374 -0.659 203 HD3 ARG 28 HD3 ARG 28 21.361 19.310 0.018 204 HE ARG 28 HE ARG 28 23.219 18.792 2.056 205 HH11 ARG 28 HH11 ARG 28 22.142 21.396 0.012 206 HH12 ARG 28 HH12 ARG 28 22.541 22.634 1.157 207 HH21 ARG 28 HH21 ARG 28 23.749 20.412 3.572 208 HH22 ARG 28 HH22 ARG 28 23.456 22.073 3.181 209 H ARG 29 H ARG 29 25.151 17.730 -1.966 210 HA ARG 29 HA ARG 29 26.590 15.515 -2.753 211 HB2 ARG 29 HB2 ARG 29 27.366 17.855 -1.892 212 HB3 ARG 29 HB3 ARG 29 27.427 17.060 -0.324 213 HG2 ARG 29 HG2 ARG 29 28.838 15.280 -1.636 214 HG3 ARG 29 HG3 ARG 29 29.111 16.633 -2.737 215 HD2 ARG 29 HD2 ARG 29 29.508 16.949 0.215 216 HD3 ARG 29 HD3 ARG 29 30.770 16.241 -0.793 217 HE ARG 29 HE ARG 29 30.172 18.532 -2.090 218 HH11 ARG 29 HH11 ARG 29 30.978 17.810 1.219 219 HH12 ARG 29 HH12 ARG 29 31.729 19.344 1.507 220 HH21 ARG 29 HH21 ARG 29 31.158 20.556 -1.722 221 HH22 ARG 29 HH22 ARG 29 31.830 20.906 -0.166 222 H ASN 30 H ASN 30 27.020 13.547 -1.938 223 HA ASN 30 HA ASN 30 26.926 11.705 -0.607 224 HB2 ASN 30 HB2 ASN 30 27.995 13.503 0.988 225 HB3 ASN 30 HB3 ASN 30 26.446 13.395 1.819 226 HD21 ASN 30 HD21 ASN 30 29.030 11.349 0.524 227 HD22 ASN 30 HD22 ASN 30 28.964 10.170 1.785 228 H GLU 31 H GLU 31 24.660 12.060 -1.880 229 HA GLU 31 HA GLU 31 22.652 11.219 0.060 230 HB2 GLU 31 HB2 GLU 31 22.537 13.776 -0.574 231 HB3 GLU 31 HB3 GLU 31 21.779 13.162 -2.037 232 HG2 GLU 31 HG2 GLU 31 19.902 12.485 -0.953 233 HG3 GLU 31 HG3 GLU 31 20.752 12.167 0.557 234 H GLU 32 H GLU 32 20.696 10.313 -1.049 235 HA GLU 32 HA GLU 32 21.473 9.041 -3.592 236 HB2 GLU 32 HB2 GLU 32 20.236 7.941 -1.121 237 HB3 GLU 32 HB3 GLU 32 19.684 7.289 -2.658 238 HG2 GLU 32 HG2 GLU 32 21.379 5.851 -2.281 239 HG3 GLU 32 HG3 GLU 32 22.302 7.123 -3.079 240 H TYR 33 H TYR 33 19.749 8.520 -5.065 241 HA TYR 33 HA TYR 33 17.195 9.856 -4.619 242 HB2 TYR 33 HB2 TYR 33 19.042 10.489 -6.926 243 HB3 TYR 33 HB3 TYR 33 17.343 10.943 -6.878 244 HD1 TYR 33 HD1 TYR 33 16.562 12.690 -5.367 245 HD2 TYR 33 HD2 TYR 33 20.677 11.622 -5.543 246 HE1 TYR 33 HE1 TYR 33 17.144 14.756 -4.165 247 HE2 TYR 33 HE2 TYR 33 21.270 13.684 -4.341 248 HH TYR 33 HH TYR 33 19.378 15.393 -2.575 249 H CYS 34 H CYS 34 15.569 8.636 -5.318 250 HA CYS 34 HA CYS 34 16.013 6.122 -6.531 251 HB2 CYS 34 HB2 CYS 34 13.883 7.416 -5.239 252 HB3 CYS 34 HB3 CYS 34 13.289 7.038 -6.851 253 HG CYS 34 HG CYS 34 12.899 4.523 -6.472 254 H LEU 35 H LEU 35 16.789 5.999 -8.546 255 HA LEU 35 HA LEU 35 16.349 7.887 -10.584 256 HB2 LEU 35 HB2 LEU 35 18.119 5.960 -10.297 257 HB3 LEU 35 HB3 LEU 35 16.948 5.043 -11.242 258 HG LEU 35 HG LEU 35 18.733 5.972 -12.636 259 HD11 LEU 35 HD11 LEU 35 16.489 7.629 -13.528 260 HD12 LEU 35 HD12 LEU 35 16.065 5.957 -13.161 261 HD13 LEU 35 HD13 LEU 35 17.325 6.308 -14.345 262 HD21 LEU 35 HD21 LEU 35 19.526 8.014 -12.300 263 HD22 LEU 35 HD22 LEU 35 18.326 8.271 -11.033 264 HD23 LEU 35 HD23 LEU 35 17.955 8.707 -12.702 265 H LEU 36 H LEU 36 14.798 8.113 -12.085 266 HA LEU 36 HA LEU 36 12.677 6.068 -12.168 267 HB2 LEU 36 HB2 LEU 36 12.349 8.993 -12.793 268 HB3 LEU 36 HB3 LEU 36 11.080 7.785 -12.600 269 HG LEU 36 HG LEU 36 12.861 8.401 -10.286 270 HD11 LEU 36 HD11 LEU 36 11.736 10.328 -9.674 271 HD12 LEU 36 HD12 LEU 36 10.388 10.013 -10.766 272 HD13 LEU 36 HD13 LEU 36 11.941 10.543 -11.412 273 HD21 LEU 36 HD21 LEU 36 11.020 7.686 -9.004 274 HD22 LEU 36 HD22 LEU 36 11.119 6.555 -10.354 275 HD23 LEU 36 HD23 LEU 36 9.909 7.839 -10.366 276 H ASP 37 H ASP 37 14.273 8.593 -14.102 277 HA ASP 37 HA ASP 37 13.998 6.851 -16.450 278 HB2 ASP 37 HB2 ASP 37 12.551 9.227 -16.076 279 HB3 ASP 37 HB3 ASP 37 13.839 9.636 -17.206 280 H SER 38 H SER 38 15.885 6.514 -17.409 281 HA SER 38 HA SER 38 17.949 8.599 -17.280 282 HB2 SER 38 HB2 SER 38 19.606 6.609 -17.022 283 HB3 SER 38 HB3 SER 38 18.748 7.188 -15.595 284 HG SER 38 HG SER 38 18.748 4.750 -16.593 285 H SER 39 H SER 39 17.562 9.108 -19.438 286 HA SER 39 HA SER 39 17.988 6.986 -21.416 287 HB2 SER 39 HB2 SER 39 16.020 8.727 -21.445 288 HB3 SER 39 HB3 SER 39 17.234 9.792 -22.153 289 HG SER 39 HG SER 39 17.029 8.749 -23.956 290 H GLU 40 H GLU 40 19.113 10.256 -20.600 291 HA GLU 40 HA GLU 40 21.763 9.591 -21.559 292 HB2 GLU 40 HB2 GLU 40 20.301 10.528 -23.502 293 HB3 GLU 40 HB3 GLU 40 20.521 12.075 -22.695 294 HG2 GLU 40 HG2 GLU 40 22.747 12.178 -23.187 295 HG3 GLU 40 HG3 GLU 40 22.926 10.426 -23.257 296 H ILE 41 H ILE 41 23.362 11.215 -20.985 297 HA ILE 41 HA ILE 41 23.100 12.152 -18.379 298 HB ILE 41 HB ILE 41 25.278 11.785 -19.418 299 HG12 ILE 41 HG12 ILE 41 24.947 14.682 -18.609 300 HG13 ILE 41 HG13 ILE 41 25.041 13.336 -17.478 301 HG21 ILE 41 HG21 ILE 41 24.823 14.316 -20.983 302 HG22 ILE 41 HG22 ILE 41 26.191 13.209 -21.091 303 HG23 ILE 41 HG23 ILE 41 24.599 12.700 -21.654 304 HD11 ILE 41 HD11 ILE 41 27.231 13.683 -19.453 305 HD12 ILE 41 HD12 ILE 41 27.149 14.772 -18.068 306 HD13 ILE 41 HD13 ILE 41 27.274 13.031 -17.815 307 H HIS 42 H HIS 42 21.962 13.509 -21.300 308 HA HIS 42 HA HIS 42 22.017 16.237 -20.825 309 HB2 HIS 42 HB2 HIS 42 19.761 14.690 -22.116 310 HB3 HIS 42 HB3 HIS 42 20.106 16.403 -22.329 311 HD1 HIS 42 HD1 HIS 42 23.329 15.508 -22.490 312 HD2 HIS 42 HD2 HIS 42 20.146 14.476 -24.953 313 HE1 HIS 42 HE1 HIS 42 24.364 14.850 -24.686 314 H TRP 43 H TRP 43 19.591 13.861 -19.787 315 HA TRP 43 HA TRP 43 18.939 15.496 -17.497 316 HB2 TRP 43 HB2 TRP 43 16.539 15.637 -17.991 317 HB3 TRP 43 HB3 TRP 43 17.488 16.477 -19.214 318 HD1 TRP 43 HD1 TRP 43 17.378 15.569 -21.686 319 HE1 TRP 43 HE1 TRP 43 15.892 13.823 -22.856 320 HE3 TRP 43 HE3 TRP 43 15.327 13.353 -17.560 321 HZ2 TRP 43 HZ2 TRP 43 14.088 11.778 -22.126 322 HZ3 TRP 43 HZ3 TRP 43 13.729 11.510 -17.883 323 HH2 TRP 43 HH2 TRP 43 13.124 10.741 -20.120 324 H TRP 44 H TRP 44 18.540 14.219 -15.810 325 HA TRP 44 HA TRP 44 17.658 11.456 -16.334 326 HB2 TRP 44 HB2 TRP 44 19.907 12.494 -14.710 327 HB3 TRP 44 HB3 TRP 44 18.971 11.188 -13.988 328 HD1 TRP 44 HD1 TRP 44 19.549 11.281 -17.766 329 HE1 TRP 44 HE1 TRP 44 21.053 9.296 -18.418 330 HE3 TRP 44 HE3 TRP 44 20.782 9.626 -13.088 331 HZ2 TRP 44 HZ2 TRP 44 22.562 7.294 -17.121 332 HZ3 TRP 44 HZ3 TRP 44 22.260 7.669 -12.881 333 HH2 TRP 44 HH2 TRP 44 23.130 6.529 -14.857 334 H ARG 45 H ARG 45 15.684 11.129 -15.570 335 HA ARG 45 HA ARG 45 14.522 12.864 -13.595 336 HB2 ARG 45 HB2 ARG 45 13.567 11.108 -15.597 337 HB3 ARG 45 HB3 ARG 45 12.938 10.519 -14.064 338 HG2 ARG 45 HG2 ARG 45 12.275 13.000 -13.680 339 HG3 ARG 45 HG3 ARG 45 12.453 13.126 -15.431 340 HD2 ARG 45 HD2 ARG 45 10.942 10.777 -14.657 341 HD3 ARG 45 HD3 ARG 45 10.211 12.260 -14.046 342 HE ARG 45 HE ARG 45 10.767 12.805 -16.660 343 HH11 ARG 45 HH11 ARG 45 8.973 10.330 -14.994 344 HH12 ARG 45 HH12 ARG 45 7.847 10.092 -16.289 345 HH21 ARG 45 HH21 ARG 45 9.291 12.501 -18.372 346 HH22 ARG 45 HH22 ARG 45 8.029 11.326 -18.210 347 H VAL 46 H VAL 46 14.593 12.603 -11.468 348 HA VAL 46 HA VAL 46 14.812 9.901 -10.353 349 HB VAL 46 HB VAL 46 16.528 10.548 -8.779 350 HG11 VAL 46 HG11 VAL 46 17.809 11.550 -11.231 351 HG12 VAL 46 HG12 VAL 46 18.236 10.181 -10.202 352 HG13 VAL 46 HG13 VAL 46 16.948 10.020 -11.397 353 HG21 VAL 46 HG21 VAL 46 17.661 12.734 -8.957 354 HG22 VAL 46 HG22 VAL 46 16.459 13.238 -10.146 355 HG23 VAL 46 HG23 VAL 46 15.968 12.885 -8.489 356 H GLN 47 H GLN 47 14.518 9.984 -7.900 357 HA GLN 47 HA GLN 47 12.640 12.117 -7.146 358 HB2 GLN 47 HB2 GLN 47 11.264 10.240 -7.734 359 HB3 GLN 47 HB3 GLN 47 12.267 9.143 -6.794 360 HG2 GLN 47 HG2 GLN 47 11.428 9.890 -4.776 361 HG3 GLN 47 HG3 GLN 47 10.882 11.422 -5.455 362 HE21 GLN 47 HE21 GLN 47 10.360 7.997 -6.234 363 HE22 GLN 47 HE22 GLN 47 8.636 8.092 -6.271 364 H ASP 48 H ASP 48 12.705 12.780 -5.031 365 HA ASP 48 HA ASP 48 15.093 12.106 -3.568 366 HB2 ASP 48 HB2 ASP 48 12.823 14.021 -3.022 367 HB3 ASP 48 HB3 ASP 48 14.177 13.797 -1.918 368 H ARG 49 H ARG 49 14.548 12.131 -0.980 369 HA ARG 49 HA ARG 49 13.084 9.638 -0.596 370 HB2 ARG 49 HB2 ARG 49 14.144 9.615 1.631 371 HB3 ARG 49 HB3 ARG 49 15.325 9.750 0.335 372 HG2 ARG 49 HG2 ARG 49 16.186 11.441 1.490 373 HG3 ARG 49 HG3 ARG 49 14.783 12.374 0.964 374 HD2 ARG 49 HD2 ARG 49 15.104 12.513 3.387 375 HD3 ARG 49 HD3 ARG 49 13.579 11.728 2.977 376 HE ARG 49 HE ARG 49 14.352 9.794 3.937 377 HH11 ARG 49 HH11 ARG 49 17.008 11.997 3.478 378 HH12 ARG 49 HH12 ARG 49 18.130 11.039 4.388 379 HH21 ARG 49 HH21 ARG 49 15.819 8.524 5.136 380 HH22 ARG 49 HH22 ARG 49 17.452 9.063 5.329 381 H ASN 50 H ASN 50 11.947 12.487 -0.903 382 HA ASN 50 HA ASN 50 10.286 12.440 1.531 383 HB2 ASN 50 HB2 ASN 50 10.816 14.842 -0.227 384 HB3 ASN 50 HB3 ASN 50 9.996 14.823 1.332 385 HD21 ASN 50 HD21 ASN 50 13.067 14.487 -0.294 386 HD22 ASN 50 HD22 ASN 50 14.054 14.774 1.096 387 H GLY 51 H GLY 51 10.359 12.445 -1.934 388 HA2 GLY 51 HA2 GLY 51 8.390 11.324 -2.951 389 HA3 GLY 51 HA3 GLY 51 7.403 12.384 -1.956 390 H HIS 52 H HIS 52 10.306 13.506 -3.536 391 HA HIS 52 HA HIS 52 8.627 15.057 -5.397 392 HB2 HIS 52 HB2 HIS 52 11.291 15.905 -4.246 393 HB3 HIS 52 HB3 HIS 52 10.213 16.875 -5.246 394 HD1 HIS 52 HD1 HIS 52 11.010 16.129 -1.787 395 HD2 HIS 52 HD2 HIS 52 7.686 17.492 -3.874 396 HE1 HIS 52 HE1 HIS 52 9.500 17.149 -0.054 397 H GLU 53 H GLU 53 8.999 14.772 -7.497 398 HA GLU 53 HA GLU 53 11.500 13.431 -8.290 399 HB2 GLU 53 HB2 GLU 53 8.945 13.384 -9.882 400 HB3 GLU 53 HB3 GLU 53 10.343 12.329 -10.033 401 HG2 GLU 53 HG2 GLU 53 9.772 11.565 -7.651 402 HG3 GLU 53 HG3 GLU 53 8.207 12.325 -7.938 403 H GLY 54 H GLY 54 12.723 14.285 -9.904 404 HA2 GLY 54 HA2 GLY 54 11.689 16.377 -11.616 405 HA3 GLY 54 HA3 GLY 54 12.867 16.928 -10.434 406 H TYR 55 H TYR 55 13.839 17.493 -12.656 407 HA TYR 55 HA TYR 55 15.301 15.212 -13.781 408 HB2 TYR 55 HB2 TYR 55 14.894 18.022 -14.820 409 HB3 TYR 55 HB3 TYR 55 15.878 16.802 -15.620 410 HD1 TYR 55 HD1 TYR 55 12.420 17.587 -14.534 411 HD2 TYR 55 HD2 TYR 55 14.895 15.190 -17.030 412 HE1 TYR 55 HE1 TYR 55 10.423 16.752 -15.702 413 HE2 TYR 55 HE2 TYR 55 12.905 14.350 -18.206 414 HH TYR 55 HH TYR 55 9.853 15.768 -17.899 415 H VAL 56 H VAL 56 17.508 15.101 -13.796 416 HA VAL 56 HA VAL 56 19.086 17.319 -12.774 417 HB VAL 56 HB VAL 56 20.263 15.724 -11.162 418 HG11 VAL 56 HG11 VAL 56 18.627 17.619 -10.622 419 HG12 VAL 56 HG12 VAL 56 17.443 16.340 -10.342 420 HG13 VAL 56 HG13 VAL 56 18.918 16.406 -9.376 421 HG21 VAL 56 HG21 VAL 56 17.671 14.217 -11.493 422 HG22 VAL 56 HG22 VAL 56 19.268 13.651 -11.982 423 HG23 VAL 56 HG23 VAL 56 18.903 13.893 -10.273 424 HA PRO 57 HA PRO 57 22.110 15.787 -15.563 425 HB2 PRO 57 HB2 PRO 57 24.408 16.534 -14.325 426 HB3 PRO 57 HB3 PRO 57 23.322 17.686 -15.110 427 HG2 PRO 57 HG2 PRO 57 23.571 16.993 -12.208 428 HG3 PRO 57 HG3 PRO 57 23.386 18.585 -12.966 429 HD2 PRO 57 HD2 PRO 57 21.316 17.265 -11.823 430 HD3 PRO 57 HD3 PRO 57 21.109 18.336 -13.224 431 H SER 58 H SER 58 23.018 13.862 -15.958 432 HA SER 58 HA SER 58 23.220 11.917 -13.861 433 HB2 SER 58 HB2 SER 58 22.472 11.366 -16.178 434 HB3 SER 58 HB3 SER 58 24.113 11.678 -16.743 435 HG SER 58 HG SER 58 24.609 9.743 -16.130 436 H SER 59 H SER 59 25.429 13.974 -15.597 437 HA SER 59 HA SER 59 27.842 12.664 -15.124 438 HB2 SER 59 HB2 SER 59 28.385 14.414 -16.434 439 HB3 SER 59 HB3 SER 59 26.996 15.354 -15.887 440 HG SER 59 HG SER 59 29.325 16.015 -15.346 441 H TYR 60 H TYR 60 25.751 14.315 -12.954 442 HA TYR 60 HA TYR 60 27.832 14.317 -10.873 443 HB2 TYR 60 HB2 TYR 60 25.213 15.830 -10.961 444 HB3 TYR 60 HB3 TYR 60 26.399 15.913 -9.663 445 HD1 TYR 60 HD2 TYR 60 26.126 16.438 -13.350 446 HD2 TYR 60 HD1 TYR 60 27.978 17.605 -9.702 447 HE1 TYR 60 HE2 TYR 60 27.275 18.267 -14.526 448 HE2 TYR 60 HE1 TYR 60 29.132 19.438 -10.867 449 HH TYR 60 HH TYR 60 28.822 20.800 -12.917 450 H LEU 61 H LEU 61 25.985 12.107 -11.901 451 HA LEU 61 HA LEU 61 25.086 11.247 -9.242 452 HB2 LEU 61 HB2 LEU 61 23.506 11.321 -11.781 453 HB3 LEU 61 HB3 LEU 61 23.161 10.101 -10.556 454 HG LEU 61 HG LEU 61 23.136 13.050 -9.956 455 HD11 LEU 61 HD11 LEU 61 20.634 12.803 -10.125 456 HD12 LEU 61 HD12 LEU 61 20.924 11.292 -10.986 457 HD13 LEU 61 HD13 LEU 61 21.509 12.814 -11.657 458 HD21 LEU 61 HD21 LEU 61 21.326 11.556 -8.399 459 HD22 LEU 61 HD22 LEU 61 22.819 12.337 -7.879 460 HD23 LEU 61 HD23 LEU 61 22.843 10.657 -8.418 461 H VAL 62 H VAL 62 25.615 9.203 -8.735 462 HA VAL 62 HA VAL 62 26.688 7.498 -10.888 463 HB VAL 62 HB VAL 62 27.604 7.711 -8.019 464 HG11 VAL 62 HG11 VAL 62 29.329 6.020 -8.751 465 HG12 VAL 62 HG12 VAL 62 27.688 5.404 -8.546 466 HG13 VAL 62 HG13 VAL 62 28.316 5.725 -10.164 467 HG21 VAL 62 HG21 VAL 62 29.205 8.116 -10.533 468 HG22 VAL 62 HG22 VAL 62 28.366 9.433 -9.714 469 HG23 VAL 62 HG23 VAL 62 29.641 8.546 -8.879 470 H GLU 63 H GLU 63 25.681 5.625 -11.190 471 HA GLU 63 HA GLU 63 23.384 4.850 -9.843 472 HB2 GLU 63 HB2 GLU 63 25.036 3.806 -11.941 473 HB3 GLU 63 HB3 GLU 63 24.588 2.497 -10.858 474 HG2 GLU 63 HG2 GLU 63 22.196 3.395 -11.090 475 HG3 GLU 63 HG3 GLU 63 22.818 4.277 -12.484 476 H LYS 64 H LYS 64 23.134 4.210 -7.818 477 HA LYS 64 HA LYS 64 25.313 3.298 -6.211 478 HB2 LYS 64 HB2 LYS 64 23.405 4.631 -5.330 479 HB3 LYS 64 HB3 LYS 64 22.353 3.247 -5.595 480 HG2 LYS 64 HG2 LYS 64 24.785 2.842 -3.944 481 HG3 LYS 64 HG3 LYS 64 23.444 3.752 -3.244 482 HD2 LYS 64 HD2 LYS 64 21.946 1.840 -3.915 483 HD3 LYS 64 HD3 LYS 64 23.409 0.934 -4.309 484 HE2 LYS 64 HE2 LYS 64 24.170 1.061 -2.039 485 HE3 LYS 64 HE3 LYS 64 22.860 2.161 -1.611 486 HZ1 LYS 64 HZ1 LYS 64 21.856 0.293 -0.939 487 HZ2 LYS 64 HZ2 LYS 64 22.839 -0.717 -1.874 488 HZ3 LYS 64 HZ3 LYS 64 21.511 0.059 -2.579 489 H SER 65 H SER 65 26.150 1.366 -6.806 490 HA SER 65 HA SER 65 24.304 -0.902 -7.117 491 HB2 SER 65 HB2 SER 65 26.980 -0.254 -8.255 492 HB3 SER 65 HB3 SER 65 26.609 -1.953 -7.959 493 HG SER 65 HG SER 65 25.340 -0.129 -9.686 494 HA PRO 66 HA PRO 66 25.663 -2.866 -3.438 495 HB2 PRO 66 HB2 PRO 66 25.797 -5.474 -4.180 496 HB3 PRO 66 HB3 PRO 66 24.268 -4.612 -3.967 497 HG2 PRO 66 HG2 PRO 66 25.766 -5.218 -6.487 498 HG3 PRO 66 HG3 PRO 66 24.026 -5.331 -6.165 499 HD2 PRO 66 HD2 PRO 66 25.130 -3.240 -7.485 500 HD3 PRO 66 HD3 PRO 66 23.698 -3.067 -6.450 Start of MODEL 15 1 H1 GLY 1 H GLY 1 1.434 -2.958 4.406 2 HA2 GLY 1 HA2 GLY 1 -0.407 -4.620 2.930 3 HA3 GLY 1 HA3 GLY 1 -0.119 -2.904 2.683 4 HA PRO 2 HA PRO 2 1.729 -5.348 -0.844 5 HB2 PRO 2 HB2 PRO 2 0.440 -3.991 -2.810 6 HB3 PRO 2 HB3 PRO 2 -0.247 -5.412 -2.015 7 HG2 PRO 2 HG2 PRO 2 -0.791 -2.512 -1.512 8 HG3 PRO 2 HG3 PRO 2 -1.934 -3.865 -1.607 9 HD2 PRO 2 HD2 PRO 2 -1.089 -2.834 0.750 10 HD3 PRO 2 HD3 PRO 2 -1.495 -4.551 0.549 11 H LEU 3 H LEU 3 3.414 -4.661 -2.130 12 HA LEU 3 HA LEU 3 4.162 -1.826 -1.852 13 HB2 LEU 3 HB2 LEU 3 5.603 -4.257 -1.391 14 HB3 LEU 3 HB3 LEU 3 6.391 -3.342 -2.675 15 HG LEU 3 HG LEU 3 7.432 -2.773 -0.604 16 HD11 LEU 3 HD11 LEU 3 5.652 -0.419 -0.963 17 HD12 LEU 3 HD12 LEU 3 6.625 -0.956 -2.332 18 HD13 LEU 3 HD13 LEU 3 7.408 -0.500 -0.819 19 HD21 LEU 3 HD21 LEU 3 6.371 -2.284 1.367 20 HD22 LEU 3 HD22 LEU 3 5.235 -3.441 0.671 21 HD23 LEU 3 HD23 LEU 3 4.907 -1.710 0.566 22 H GLY 4 H GLY 4 4.988 -0.714 -3.637 23 HA2 GLY 4 HA2 GLY 4 5.555 -1.796 -6.148 24 HA3 GLY 4 HA3 GLY 4 3.848 -1.379 -6.135 25 H SER 5 H SER 5 7.098 -0.176 -6.165 26 HA SER 5 HA SER 5 6.077 2.458 -6.920 27 HB2 SER 5 HB2 SER 5 6.578 3.157 -4.805 28 HB3 SER 5 HB3 SER 5 7.727 1.847 -4.532 29 HG SER 5 HG SER 5 8.562 4.098 -4.781 30 HA PRO 6 HA PRO 6 9.174 2.296 -10.026 31 HB2 PRO 6 HB2 PRO 6 9.746 4.932 -10.336 32 HB3 PRO 6 HB3 PRO 6 8.234 4.205 -10.893 33 HG2 PRO 6 HG2 PRO 6 8.779 5.765 -8.396 34 HG3 PRO 6 HG3 PRO 6 7.396 5.868 -9.500 35 HD2 PRO 6 HD2 PRO 6 7.287 4.527 -7.151 36 HD3 PRO 6 HD3 PRO 6 6.363 4.024 -8.581 37 H GLU 7 H GLU 7 10.440 1.373 -7.947 38 HA GLU 7 HA GLU 7 12.831 3.062 -7.606 39 HB2 GLU 7 HB2 GLU 7 13.185 1.556 -5.535 40 HB3 GLU 7 HB3 GLU 7 11.981 2.834 -5.450 41 HG2 GLU 7 HG2 GLU 7 11.175 0.760 -4.458 42 HG3 GLU 7 HG3 GLU 7 10.210 1.233 -5.855 43 H GLU 8 H GLU 8 12.681 1.582 -9.882 44 HA GLU 8 HA GLU 8 13.786 -1.027 -9.625 45 HB2 GLU 8 HB2 GLU 8 13.970 0.747 -12.057 46 HB3 GLU 8 HB3 GLU 8 13.995 -1.009 -12.001 47 HG2 GLU 8 HG2 GLU 8 11.637 0.719 -11.288 48 HG3 GLU 8 HG3 GLU 8 11.863 -0.123 -12.819 49 H THR 9 H THR 9 15.137 2.185 -10.013 50 HA THR 9 HA THR 9 17.765 1.146 -9.313 51 HB THR 9 HB THR 9 17.315 2.778 -11.819 52 HG1 THR 9 HG1 THR 9 16.927 0.598 -12.197 53 HG21 THR 9 HG21 THR 9 19.694 2.286 -10.153 54 HG22 THR 9 HG22 THR 9 19.358 3.587 -11.295 55 HG23 THR 9 HG23 THR 9 19.918 2.021 -11.882 56 H VAL 10 H VAL 10 19.070 2.624 -8.272 57 HA VAL 10 HA VAL 10 17.887 5.285 -7.802 58 HB VAL 10 HB VAL 10 19.565 3.790 -5.794 59 HG11 VAL 10 HG11 VAL 10 18.270 5.426 -4.274 60 HG12 VAL 10 HG12 VAL 10 19.602 6.050 -5.249 61 HG13 VAL 10 HG13 VAL 10 17.935 6.303 -5.767 62 HG21 VAL 10 HG21 VAL 10 16.975 3.831 -4.826 63 HG22 VAL 10 HG22 VAL 10 16.784 3.384 -6.521 64 HG23 VAL 10 HG23 VAL 10 17.828 2.428 -5.470 65 H VAL 11 H VAL 11 19.368 7.012 -7.386 66 HA VAL 11 HA VAL 11 22.113 6.504 -8.328 67 HB VAL 11 HB VAL 11 22.059 8.772 -9.384 68 HG11 VAL 11 HG11 VAL 11 21.753 6.647 -10.647 69 HG12 VAL 11 HG12 VAL 11 20.008 6.873 -10.512 70 HG13 VAL 11 HG13 VAL 11 20.983 8.045 -11.398 71 HG21 VAL 11 HG21 VAL 11 20.242 10.101 -9.392 72 HG22 VAL 11 HG22 VAL 11 19.122 8.747 -9.551 73 HG23 VAL 11 HG23 VAL 11 19.784 9.164 -7.970 74 H ILE 12 H ILE 12 23.748 7.659 -7.347 75 HA ILE 12 HA ILE 12 22.973 9.075 -4.891 76 HB ILE 12 HB ILE 12 25.770 8.166 -5.456 77 HG12 ILE 12 HG12 ILE 12 23.521 6.453 -4.379 78 HG13 ILE 12 HG13 ILE 12 24.400 6.198 -5.882 79 HG21 ILE 12 HG21 ILE 12 24.978 9.649 -3.488 80 HG22 ILE 12 HG22 ILE 12 24.347 8.142 -2.825 81 HG23 ILE 12 HG23 ILE 12 26.071 8.304 -3.162 82 HD11 ILE 12 HD11 ILE 12 26.478 5.985 -4.425 83 HD12 ILE 12 HD12 ILE 12 25.359 5.839 -3.070 84 HD13 ILE 12 HD13 ILE 12 25.311 4.665 -4.384 85 H ALA 13 H ALA 13 23.507 11.157 -4.563 86 HA ALA 13 HA ALA 13 24.480 12.695 -6.782 87 HB1 ALA 13 HB1 ALA 13 22.963 13.977 -5.704 88 HB2 ALA 13 HB2 ALA 13 23.318 13.266 -4.129 89 HB3 ALA 13 HB3 ALA 13 24.385 14.499 -4.800 90 H LEU 14 H LEU 14 26.503 13.310 -7.187 91 HA LEU 14 HA LEU 14 28.599 12.579 -5.314 92 HB2 LEU 14 HB2 LEU 14 29.049 13.929 -7.948 93 HB3 LEU 14 HB3 LEU 14 30.102 12.815 -7.077 94 HG LEU 14 HG LEU 14 27.603 12.133 -8.618 95 HD11 LEU 14 HD11 LEU 14 29.206 12.243 -10.228 96 HD12 LEU 14 HD12 LEU 14 29.484 10.594 -9.668 97 HD13 LEU 14 HD13 LEU 14 30.521 11.903 -9.103 98 HD21 LEU 14 HD21 LEU 14 27.410 10.543 -7.017 99 HD22 LEU 14 HD22 LEU 14 29.109 10.644 -6.553 100 HD23 LEU 14 HD23 LEU 14 28.640 9.749 -7.999 101 H TYR 15 H TYR 15 27.088 15.448 -6.627 102 HA TYR 15 HA TYR 15 28.446 17.054 -4.609 103 HB2 TYR 15 HB2 TYR 15 28.389 17.973 -7.484 104 HB3 TYR 15 HB3 TYR 15 29.226 18.722 -6.128 105 HD1 TYR 15 HD2 TYR 15 31.250 17.637 -5.178 106 HD2 TYR 15 HD1 TYR 15 29.376 16.183 -8.711 107 HE1 TYR 15 HE2 TYR 15 33.285 16.369 -5.729 108 HE2 TYR 15 HE1 TYR 15 31.405 14.910 -9.270 109 HH TYR 15 HH TYR 15 33.557 14.554 -8.755 110 H ASP 16 H ASP 16 27.395 19.063 -4.168 111 HA ASP 16 HA ASP 16 24.570 18.912 -4.303 112 HB2 ASP 16 HB2 ASP 16 24.645 21.196 -3.288 113 HB3 ASP 16 HB3 ASP 16 25.608 20.002 -2.423 114 H TYR 17 H TYR 17 23.671 19.007 -6.290 115 HA TYR 17 HA TYR 17 24.561 20.975 -8.226 116 HB2 TYR 17 HB2 TYR 17 24.023 18.797 -9.091 117 HB3 TYR 17 HB3 TYR 17 22.436 18.828 -8.330 118 HD1 TYR 17 HD1 TYR 17 24.482 20.683 -10.841 119 HD2 TYR 17 HD2 TYR 17 20.597 19.498 -9.575 120 HE1 TYR 17 HE1 TYR 17 23.525 21.647 -12.892 121 HE2 TYR 17 HE2 TYR 17 19.630 20.457 -11.623 122 HH TYR 17 HH TYR 17 20.848 22.592 -13.405 123 H GLN 18 H GLN 18 23.277 22.628 -9.082 124 HA GLN 18 HA GLN 18 20.782 23.244 -7.673 125 HB2 GLN 18 HB2 GLN 18 23.250 24.923 -7.782 126 HB3 GLN 18 HB3 GLN 18 21.683 25.721 -7.799 127 HG2 GLN 18 HG2 GLN 18 21.142 24.372 -5.720 128 HG3 GLN 18 HG3 GLN 18 22.859 23.977 -5.662 129 HE21 GLN 18 HE21 GLN 18 21.036 25.598 -3.910 130 HE22 GLN 18 HE22 GLN 18 21.852 27.108 -3.718 131 H THR 19 H THR 19 19.216 23.692 -9.065 132 HA THR 19 HA THR 19 19.884 24.214 -11.849 133 HB THR 19 HB THR 19 18.194 22.538 -11.494 134 HG1 THR 19 HG1 THR 19 17.878 23.989 -13.275 135 HG21 THR 19 HG21 THR 19 15.926 23.493 -10.540 136 HG22 THR 19 HG22 THR 19 17.008 24.610 -9.708 137 HG23 THR 19 HG23 THR 19 17.175 22.871 -9.463 138 H ASN 20 H ASN 20 18.674 25.879 -13.054 139 HA ASN 20 HA ASN 20 18.566 28.352 -11.495 140 HB2 ASN 20 HB2 ASN 20 18.538 29.438 -13.777 141 HB3 ASN 20 HB3 ASN 20 19.991 28.516 -13.405 142 HD21 ASN 20 HD21 ASN 20 17.173 28.749 -15.375 143 HD22 ASN 20 HD22 ASN 20 17.567 27.466 -16.464 144 H ASP 21 H ASP 21 16.552 26.161 -13.263 145 HA ASP 21 HA ASP 21 14.252 27.948 -12.810 146 HB2 ASP 21 HB2 ASP 21 14.980 26.255 -15.156 147 HB3 ASP 21 HB3 ASP 21 13.273 26.428 -14.755 148 HA PRO 22 HA PRO 22 12.318 24.813 -10.430 149 HB2 PRO 22 HB2 PRO 22 9.718 25.033 -11.177 150 HB3 PRO 22 HB3 PRO 22 10.535 26.239 -10.176 151 HG2 PRO 22 HG2 PRO 22 9.980 26.280 -13.117 152 HG3 PRO 22 HG3 PRO 22 9.817 27.587 -11.929 153 HD2 PRO 22 HD2 PRO 22 11.943 27.389 -13.596 154 HD3 PRO 22 HD3 PRO 22 12.072 28.064 -11.959 155 H GLN 23 H GLN 23 12.166 24.674 -13.866 156 HA GLN 23 HA GLN 23 10.680 22.343 -14.270 157 HB2 GLN 23 HB2 GLN 23 11.729 24.061 -15.957 158 HB3 GLN 23 HB3 GLN 23 13.078 22.933 -15.959 159 HG2 GLN 23 HG2 GLN 23 11.913 22.061 -17.683 160 HG3 GLN 23 HG3 GLN 23 11.116 21.193 -16.372 161 HE21 GLN 23 HE21 GLN 23 9.770 21.371 -18.647 162 HE22 GLN 23 HE22 GLN 23 8.475 22.509 -18.532 163 H GLU 24 H GLU 24 14.094 22.797 -13.498 164 HA GLU 24 HA GLU 24 14.447 19.887 -13.385 165 HB2 GLU 24 HB2 GLU 24 16.650 21.906 -13.060 166 HB3 GLU 24 HB3 GLU 24 16.764 20.229 -13.576 167 HG2 GLU 24 HG2 GLU 24 15.169 21.302 -15.508 168 HG3 GLU 24 HG3 GLU 24 16.247 22.645 -15.131 169 H LEU 25 H LEU 25 15.772 19.040 -11.567 170 HA LEU 25 HA LEU 25 14.988 20.368 -9.064 171 HB2 LEU 25 HB2 LEU 25 14.832 17.669 -9.976 172 HB3 LEU 25 HB3 LEU 25 15.901 17.735 -8.576 173 HG LEU 25 HG LEU 25 14.150 18.663 -7.215 174 HD11 LEU 25 HD11 LEU 25 12.893 19.157 -9.821 175 HD12 LEU 25 HD12 LEU 25 12.751 20.040 -8.302 176 HD13 LEU 25 HD13 LEU 25 11.801 18.577 -8.562 177 HD21 LEU 25 HD21 LEU 25 13.481 16.581 -6.853 178 HD22 LEU 25 HD22 LEU 25 14.023 16.112 -8.464 179 HD23 LEU 25 HD23 LEU 25 12.376 16.698 -8.222 180 H ALA 26 H ALA 26 16.512 19.799 -7.186 181 HA ALA 26 HA ALA 26 19.278 20.239 -8.099 182 HB1 ALA 26 HB1 ALA 26 17.648 21.529 -6.077 183 HB2 ALA 26 HB2 ALA 26 19.190 20.965 -5.431 184 HB3 ALA 26 HB3 ALA 26 19.160 22.056 -6.816 185 H LEU 27 H LEU 27 20.976 19.147 -7.084 186 HA LEU 27 HA LEU 27 20.161 16.683 -5.707 187 HB2 LEU 27 HB2 LEU 27 22.770 17.308 -7.080 188 HB3 LEU 27 HB3 LEU 27 22.279 15.750 -6.419 189 HG LEU 27 HG LEU 27 20.753 17.062 -8.648 190 HD11 LEU 27 HD11 LEU 27 22.958 16.941 -9.515 191 HD12 LEU 27 HD12 LEU 27 22.075 15.559 -10.163 192 HD13 LEU 27 HD13 LEU 27 23.210 15.335 -8.832 193 HD21 LEU 27 HD21 LEU 27 19.547 15.293 -7.665 194 HD22 LEU 27 HD22 LEU 27 20.984 14.278 -7.538 195 HD23 LEU 27 HD23 LEU 27 20.279 14.614 -9.120 196 H ARG 28 H ARG 28 21.524 15.881 -3.973 197 HA ARG 28 HA ARG 28 22.976 18.009 -2.549 198 HB2 ARG 28 HB2 ARG 28 20.937 16.072 -1.467 199 HB3 ARG 28 HB3 ARG 28 22.098 16.884 -0.425 200 HG2 ARG 28 HG2 ARG 28 20.422 18.514 -2.270 201 HG3 ARG 28 HG3 ARG 28 19.709 17.871 -0.789 202 HD2 ARG 28 HD2 ARG 28 21.736 18.878 0.403 203 HD3 ARG 28 HD3 ARG 28 22.014 19.771 -1.092 204 HE ARG 28 HE ARG 28 20.250 21.131 -0.567 205 HH11 ARG 28 HH11 ARG 28 20.121 18.274 1.419 206 HH12 ARG 28 HH12 ARG 28 18.837 18.869 2.419 207 HH21 ARG 28 HH21 ARG 28 18.559 21.925 0.743 208 HH22 ARG 28 HH22 ARG 28 17.949 20.945 2.033 209 H ARG 29 H ARG 29 24.969 17.474 -1.929 210 HA ARG 29 HA ARG 29 26.267 15.169 -2.702 211 HB2 ARG 29 HB2 ARG 29 27.142 17.453 -1.708 212 HB3 ARG 29 HB3 ARG 29 27.156 16.544 -0.202 213 HG2 ARG 29 HG2 ARG 29 28.443 15.307 -2.570 214 HG3 ARG 29 HG3 ARG 29 29.261 16.666 -1.797 215 HD2 ARG 29 HD2 ARG 29 28.225 14.443 -0.102 216 HD3 ARG 29 HD3 ARG 29 29.708 14.194 -1.023 217 HE ARG 29 HE ARG 29 29.682 16.618 0.530 218 HH11 ARG 29 HH11 ARG 29 30.404 13.212 0.525 219 HH12 ARG 29 HH12 ARG 29 31.538 13.318 1.829 220 HH21 ARG 29 HH21 ARG 29 31.174 16.770 2.249 221 HH22 ARG 29 HH22 ARG 29 31.975 15.342 2.810 222 H ASN 30 H ASN 30 26.696 13.200 -1.810 223 HA ASN 30 HA ASN 30 26.376 11.341 -0.540 224 HB2 ASN 30 HB2 ASN 30 26.413 13.520 1.521 225 HB3 ASN 30 HB3 ASN 30 26.060 11.864 2.003 226 HD21 ASN 30 HD21 ASN 30 28.042 12.235 3.273 227 HD22 ASN 30 HD22 ASN 30 29.562 11.894 2.525 228 H GLU 31 H GLU 31 24.171 12.028 -1.931 229 HA GLU 31 HA GLU 31 22.023 11.222 -0.109 230 HB2 GLU 31 HB2 GLU 31 22.018 13.746 -0.615 231 HB3 GLU 31 HB3 GLU 31 21.533 13.288 -2.242 232 HG2 GLU 31 HG2 GLU 31 19.647 13.908 -0.768 233 HG3 GLU 31 HG3 GLU 31 19.524 12.282 -1.437 234 H GLU 32 H GLU 32 20.116 10.365 -1.283 235 HA GLU 32 HA GLU 32 20.937 9.081 -3.806 236 HB2 GLU 32 HB2 GLU 32 19.500 8.028 -1.412 237 HB3 GLU 32 HB3 GLU 32 19.088 7.372 -2.990 238 HG2 GLU 32 HG2 GLU 32 21.080 6.320 -3.233 239 HG3 GLU 32 HG3 GLU 32 21.960 7.531 -2.304 240 H TYR 33 H TYR 33 19.253 8.631 -5.347 241 HA TYR 33 HA TYR 33 16.734 10.057 -4.998 242 HB2 TYR 33 HB2 TYR 33 18.707 10.659 -7.205 243 HB3 TYR 33 HB3 TYR 33 17.020 11.159 -7.240 244 HD1 TYR 33 HD1 TYR 33 16.212 12.924 -5.776 245 HD2 TYR 33 HD2 TYR 33 20.293 11.720 -5.702 246 HE1 TYR 33 HE1 TYR 33 16.784 14.961 -4.522 247 HE2 TYR 33 HE2 TYR 33 20.876 13.754 -4.447 248 HH TYR 33 HH TYR 33 19.209 15.422 -2.768 249 H CYS 34 H CYS 34 15.099 8.904 -5.786 250 HA CYS 34 HA CYS 34 15.504 6.389 -7.003 251 HB2 CYS 34 HB2 CYS 34 13.346 7.797 -5.845 252 HB3 CYS 34 HB3 CYS 34 12.840 7.364 -7.473 253 HG CYS 34 HG CYS 34 12.508 5.544 -4.946 254 H LEU 35 H LEU 35 16.378 6.248 -8.977 255 HA LEU 35 HA LEU 35 16.116 8.168 -11.018 256 HB2 LEU 35 HB2 LEU 35 17.794 6.167 -10.651 257 HB3 LEU 35 HB3 LEU 35 16.645 5.313 -11.679 258 HG LEU 35 HG LEU 35 18.546 6.191 -12.949 259 HD11 LEU 35 HD11 LEU 35 16.412 7.947 -13.930 260 HD12 LEU 35 HD12 LEU 35 15.924 6.278 -13.639 261 HD13 LEU 35 HD13 LEU 35 17.261 6.627 -14.734 262 HD21 LEU 35 HD21 LEU 35 19.387 8.211 -12.585 263 HD22 LEU 35 HD22 LEU 35 18.185 8.454 -11.318 264 HD23 LEU 35 HD23 LEU 35 17.840 8.965 -12.971 265 H LEU 36 H LEU 36 14.664 8.451 -12.609 266 HA LEU 36 HA LEU 36 12.498 6.466 -12.846 267 HB2 LEU 36 HB2 LEU 36 12.259 9.427 -13.336 268 HB3 LEU 36 HB3 LEU 36 10.956 8.240 -13.305 269 HG LEU 36 HG LEU 36 12.544 8.548 -10.823 270 HD11 LEU 36 HD11 LEU 36 10.999 10.474 -10.200 271 HD12 LEU 36 HD12 LEU 36 10.740 10.675 -11.932 272 HD13 LEU 36 HD13 LEU 36 12.361 10.843 -11.258 273 HD21 LEU 36 HD21 LEU 36 10.547 7.957 -9.783 274 HD22 LEU 36 HD22 LEU 36 10.526 7.017 -11.275 275 HD23 LEU 36 HD23 LEU 36 9.565 8.491 -11.146 276 H ASP 37 H ASP 37 14.214 9.045 -14.597 277 HA ASP 37 HA ASP 37 14.002 7.413 -17.032 278 HB2 ASP 37 HB2 ASP 37 12.638 9.833 -16.608 279 HB3 ASP 37 HB3 ASP 37 13.986 10.229 -17.669 280 H SER 38 H SER 38 15.947 6.981 -17.812 281 HA SER 38 HA SER 38 18.082 8.980 -17.481 282 HB2 SER 38 HB2 SER 38 19.626 6.893 -17.336 283 HB3 SER 38 HB3 SER 38 18.725 7.380 -15.900 284 HG SER 38 HG SER 38 18.659 5.050 -17.139 285 H SER 39 H SER 39 17.444 9.590 -19.660 286 HA SER 39 HA SER 39 17.905 7.685 -21.791 287 HB2 SER 39 HB2 SER 39 16.097 9.387 -21.940 288 HB3 SER 39 HB3 SER 39 17.325 10.652 -21.966 289 HG SER 39 HG SER 39 18.090 9.814 -23.910 290 H GLU 40 H GLU 40 19.360 10.745 -20.700 291 HA GLU 40 HA GLU 40 21.976 9.838 -21.495 292 HB2 GLU 40 HB2 GLU 40 20.506 11.178 -23.422 293 HB3 GLU 40 HB3 GLU 40 21.500 12.444 -22.717 294 HG2 GLU 40 HG2 GLU 40 23.208 11.771 -23.940 295 HG3 GLU 40 HG3 GLU 40 23.171 10.209 -23.124 296 H ILE 41 H ILE 41 23.671 11.427 -20.922 297 HA ILE 41 HA ILE 41 23.376 12.375 -18.325 298 HB ILE 41 HB ILE 41 25.567 11.928 -19.271 299 HG12 ILE 41 HG12 ILE 41 25.314 14.858 -18.563 300 HG13 ILE 41 HG13 ILE 41 25.336 13.546 -17.390 301 HG21 ILE 41 HG21 ILE 41 26.585 13.281 -20.952 302 HG22 ILE 41 HG22 ILE 41 25.008 12.775 -21.555 303 HG23 ILE 41 HG23 ILE 41 25.233 14.412 -20.939 304 HD11 ILE 41 HD11 ILE 41 27.503 14.849 -17.856 305 HD12 ILE 41 HD12 ILE 41 27.573 13.089 -17.759 306 HD13 ILE 41 HD13 ILE 41 27.580 13.886 -19.332 307 H HIS 42 H HIS 42 22.401 13.792 -21.284 308 HA HIS 42 HA HIS 42 22.542 16.512 -20.777 309 HB2 HIS 42 HB2 HIS 42 20.515 14.880 -22.300 310 HB3 HIS 42 HB3 HIS 42 20.453 16.639 -22.243 311 HD1 HIS 42 HD1 HIS 42 23.609 14.590 -22.609 312 HD2 HIS 42 HD2 HIS 42 21.210 17.160 -24.825 313 HE1 HIS 42 HE1 HIS 42 24.878 15.030 -24.735 314 H TRP 43 H TRP 43 19.966 14.229 -19.897 315 HA TRP 43 HA TRP 43 19.280 15.851 -17.608 316 HB2 TRP 43 HB2 TRP 43 16.917 16.118 -18.214 317 HB3 TRP 43 HB3 TRP 43 17.963 16.932 -19.373 318 HD1 TRP 43 HD1 TRP 43 17.936 16.071 -21.865 319 HE1 TRP 43 HE1 TRP 43 16.426 14.422 -23.140 320 HE3 TRP 43 HE3 TRP 43 15.571 13.894 -17.889 321 HZ2 TRP 43 HZ2 TRP 43 14.488 12.459 -22.540 322 HZ3 TRP 43 HZ3 TRP 43 13.903 12.139 -18.326 323 HH2 TRP 43 HH2 TRP 43 13.373 11.439 -20.604 324 H TRP 44 H TRP 44 18.755 14.559 -15.969 325 HA TRP 44 HA TRP 44 17.762 11.854 -16.592 326 HB2 TRP 44 HB2 TRP 44 19.986 12.748 -14.856 327 HB3 TRP 44 HB3 TRP 44 18.951 11.488 -14.189 328 HD1 TRP 44 HD1 TRP 44 19.606 11.526 -17.941 329 HE1 TRP 44 HE1 TRP 44 21.061 9.493 -18.553 330 HE3 TRP 44 HE3 TRP 44 20.757 9.905 -13.231 331 HZ2 TRP 44 HZ2 TRP 44 22.505 7.469 -17.216 332 HZ3 TRP 44 HZ3 TRP 44 22.181 7.913 -12.984 333 HH2 TRP 44 HH2 TRP 44 23.035 6.721 -14.937 334 H ARG 45 H ARG 45 15.763 11.555 -15.887 335 HA ARG 45 HA ARG 45 14.588 13.324 -13.938 336 HB2 ARG 45 HB2 ARG 45 13.641 11.659 -16.024 337 HB3 ARG 45 HB3 ARG 45 12.911 11.076 -14.534 338 HG2 ARG 45 HG2 ARG 45 12.510 13.710 -14.228 339 HG3 ARG 45 HG3 ARG 45 12.495 13.603 -15.989 340 HD2 ARG 45 HD2 ARG 45 10.471 12.676 -15.989 341 HD3 ARG 45 HD3 ARG 45 10.965 11.462 -14.809 342 HE ARG 45 HE ARG 45 10.017 12.730 -13.144 343 HH11 ARG 45 HH11 ARG 45 10.227 14.608 -16.068 344 HH12 ARG 45 HH12 ARG 45 9.255 15.906 -15.459 345 HH21 ARG 45 HH21 ARG 45 8.736 14.432 -12.331 346 HH22 ARG 45 HH22 ARG 45 8.408 15.805 -13.333 347 H VAL 46 H VAL 46 14.647 13.019 -11.820 348 HA VAL 46 HA VAL 46 14.638 10.282 -10.763 349 HB VAL 46 HB VAL 46 16.339 10.781 -9.125 350 HG11 VAL 46 HG11 VAL 46 18.104 10.415 -10.497 351 HG12 VAL 46 HG12 VAL 46 16.827 10.251 -11.704 352 HG13 VAL 46 HG13 VAL 46 17.707 11.772 -11.551 353 HG21 VAL 46 HG21 VAL 46 15.896 13.142 -8.792 354 HG22 VAL 46 HG22 VAL 46 17.598 12.897 -9.184 355 HG23 VAL 46 HG23 VAL 46 16.489 13.506 -10.413 356 H GLN 47 H GLN 47 14.249 10.315 -8.331 357 HA GLN 47 HA GLN 47 12.459 12.534 -7.601 358 HB2 GLN 47 HB2 GLN 47 11.021 10.722 -8.212 359 HB3 GLN 47 HB3 GLN 47 11.975 9.572 -7.285 360 HG2 GLN 47 HG2 GLN 47 11.169 10.353 -5.250 361 HG3 GLN 47 HG3 GLN 47 10.620 11.877 -5.945 362 HE21 GLN 47 HE21 GLN 47 10.113 8.496 -6.883 363 HE22 GLN 47 HE22 GLN 47 8.388 8.565 -6.850 364 H ASP 48 H ASP 48 12.514 13.206 -5.493 365 HA ASP 48 HA ASP 48 14.841 12.467 -3.976 366 HB2 ASP 48 HB2 ASP 48 13.367 14.764 -4.196 367 HB3 ASP 48 HB3 ASP 48 12.828 14.141 -2.639 368 H ARG 49 H ARG 49 14.162 12.546 -1.382 369 HA ARG 49 HA ARG 49 12.688 10.042 -1.055 370 HB2 ARG 49 HB2 ARG 49 13.705 9.946 1.163 371 HB3 ARG 49 HB3 ARG 49 14.932 10.186 -0.073 372 HG2 ARG 49 HG2 ARG 49 14.543 12.726 0.533 373 HG3 ARG 49 HG3 ARG 49 13.995 12.025 2.057 374 HD2 ARG 49 HD2 ARG 49 16.596 11.187 0.830 375 HD3 ARG 49 HD3 ARG 49 16.488 12.664 1.786 376 HE ARG 49 HE ARG 49 16.385 9.953 2.755 377 HH11 ARG 49 HH11 ARG 49 15.597 13.280 3.408 378 HH12 ARG 49 HH12 ARG 49 15.550 13.068 5.127 379 HH21 ARG 49 HH21 ARG 49 16.328 9.660 5.017 380 HH22 ARG 49 HH22 ARG 49 15.967 11.009 6.041 381 H ASN 50 H ASN 50 11.600 12.914 -1.377 382 HA ASN 50 HA ASN 50 9.860 12.865 1.001 383 HB2 ASN 50 HB2 ASN 50 10.459 15.290 -0.699 384 HB3 ASN 50 HB3 ASN 50 9.635 15.248 0.857 385 HD21 ASN 50 HD21 ASN 50 12.715 14.804 -0.755 386 HD22 ASN 50 HD22 ASN 50 13.698 15.087 0.637 387 H GLY 51 H GLY 51 10.053 12.930 -2.460 388 HA2 GLY 51 HA2 GLY 51 8.095 11.852 -3.553 389 HA3 GLY 51 HA3 GLY 51 7.099 12.929 -2.585 390 H HIS 52 H HIS 52 10.082 13.999 -4.045 391 HA HIS 52 HA HIS 52 8.509 15.598 -5.956 392 HB2 HIS 52 HB2 HIS 52 11.144 16.377 -4.695 393 HB3 HIS 52 HB3 HIS 52 10.133 17.378 -5.733 394 HD1 HIS 52 HD1 HIS 52 10.772 16.607 -2.250 395 HD2 HIS 52 HD2 HIS 52 7.560 18.037 -4.463 396 HE1 HIS 52 HE1 HIS 52 9.214 17.652 -0.575 397 H GLU 53 H GLU 53 8.948 15.308 -8.042 398 HA GLU 53 HA GLU 53 11.441 13.909 -8.751 399 HB2 GLU 53 HB2 GLU 53 8.942 13.968 -10.432 400 HB3 GLU 53 HB3 GLU 53 10.319 12.883 -10.570 401 HG2 GLU 53 HG2 GLU 53 9.621 12.158 -8.163 402 HG3 GLU 53 HG3 GLU 53 8.065 12.846 -8.625 403 H GLY 54 H GLY 54 12.772 14.763 -10.268 404 HA2 GLY 54 HA2 GLY 54 11.878 16.903 -12.004 405 HA3 GLY 54 HA3 GLY 54 13.019 17.398 -10.763 406 H TYR 55 H TYR 55 14.058 17.947 -12.988 407 HA TYR 55 HA TYR 55 15.500 15.641 -14.074 408 HB2 TYR 55 HB2 TYR 55 15.268 18.491 -15.058 409 HB3 TYR 55 HB3 TYR 55 16.220 17.240 -15.849 410 HD1 TYR 55 HD1 TYR 55 12.762 18.158 -14.862 411 HD2 TYR 55 HD2 TYR 55 15.216 15.731 -17.350 412 HE1 TYR 55 HE1 TYR 55 10.773 17.454 -16.126 413 HE2 TYR 55 HE2 TYR 55 13.234 15.022 -18.622 414 HH TYR 55 HH TYR 55 10.711 16.311 -18.970 415 H VAL 56 H VAL 56 17.713 15.464 -14.039 416 HA VAL 56 HA VAL 56 19.334 17.578 -12.891 417 HB VAL 56 HB VAL 56 20.367 15.910 -11.254 418 HG11 VAL 56 HG11 VAL 56 17.546 16.658 -10.553 419 HG12 VAL 56 HG12 VAL 56 18.973 16.630 -9.516 420 HG13 VAL 56 HG13 VAL 56 18.805 17.875 -10.755 421 HG21 VAL 56 HG21 VAL 56 19.336 13.889 -12.113 422 HG22 VAL 56 HG22 VAL 56 18.847 14.151 -10.439 423 HG23 VAL 56 HG23 VAL 56 17.732 14.526 -11.753 424 HA PRO 57 HA PRO 57 22.409 15.945 -15.564 425 HB2 PRO 57 HB2 PRO 57 24.681 16.566 -14.213 426 HB3 PRO 57 HB3 PRO 57 23.685 17.779 -15.027 427 HG2 PRO 57 HG2 PRO 57 23.771 17.034 -12.129 428 HG3 PRO 57 HG3 PRO 57 23.694 18.644 -12.869 429 HD2 PRO 57 HD2 PRO 57 21.515 17.407 -11.841 430 HD3 PRO 57 HD3 PRO 57 21.422 18.506 -13.232 431 H SER 58 H SER 58 23.133 13.949 -15.941 432 HA SER 58 HA SER 58 23.184 11.984 -13.871 433 HB2 SER 58 HB2 SER 58 23.329 10.431 -15.559 434 HB3 SER 58 HB3 SER 58 22.705 11.796 -16.486 435 HG SER 58 HG SER 58 24.793 10.507 -17.098 436 H SER 59 H SER 59 25.572 13.948 -15.471 437 HA SER 59 HA SER 59 27.890 12.505 -14.914 438 HB2 SER 59 HB2 SER 59 28.595 14.239 -16.164 439 HB3 SER 59 HB3 SER 59 27.221 15.237 -15.687 440 HG SER 59 HG SER 59 29.059 16.204 -14.901 441 H TYR 60 H TYR 60 25.797 14.249 -12.816 442 HA TYR 60 HA TYR 60 27.782 14.142 -10.649 443 HB2 TYR 60 HB2 TYR 60 25.216 15.730 -10.855 444 HB3 TYR 60 HB3 TYR 60 26.298 15.736 -9.467 445 HD1 TYR 60 HD2 TYR 60 26.351 16.358 -13.151 446 HD2 TYR 60 HD1 TYR 60 27.909 17.390 -9.329 447 HE1 TYR 60 HE2 TYR 60 27.646 18.179 -14.177 448 HE2 TYR 60 HE1 TYR 60 29.207 19.215 -10.344 449 HH TYR 60 HH TYR 60 28.692 20.271 -13.554 450 H LEU 61 H LEU 61 25.893 12.010 -11.798 451 HA LEU 61 HA LEU 61 24.889 11.117 -9.187 452 HB2 LEU 61 HB2 LEU 61 23.397 11.299 -11.772 453 HB3 LEU 61 HB3 LEU 61 22.979 10.054 -10.596 454 HG LEU 61 HG LEU 61 22.995 12.994 -9.941 455 HD11 LEU 61 HD11 LEU 61 20.742 11.265 -10.942 456 HD12 LEU 61 HD12 LEU 61 21.390 12.724 -11.689 457 HD13 LEU 61 HD13 LEU 61 20.518 12.829 -10.160 458 HD21 LEU 61 HD21 LEU 61 22.588 10.555 -8.452 459 HD22 LEU 61 HD22 LEU 61 21.163 11.592 -8.380 460 HD23 LEU 61 HD23 LEU 61 22.735 12.215 -7.875 461 H VAL 62 H VAL 62 25.335 9.045 -8.709 462 HA VAL 62 HA VAL 62 26.540 7.398 -10.835 463 HB VAL 62 HB VAL 62 28.017 8.076 -8.894 464 HG11 VAL 62 HG11 VAL 62 26.821 5.939 -7.244 465 HG12 VAL 62 HG12 VAL 62 27.604 7.445 -6.761 466 HG13 VAL 62 HG13 VAL 62 25.931 7.459 -7.322 467 HG21 VAL 62 HG21 VAL 62 27.529 5.273 -9.781 468 HG22 VAL 62 HG22 VAL 62 28.903 6.332 -10.098 469 HG23 VAL 62 HG23 VAL 62 28.720 5.576 -8.516 470 H GLU 63 H GLU 63 25.793 5.371 -11.201 471 HA GLU 63 HA GLU 63 23.197 4.686 -10.332 472 HB2 GLU 63 HB2 GLU 63 24.898 3.851 -12.344 473 HB3 GLU 63 HB3 GLU 63 24.791 2.438 -11.304 474 HG2 GLU 63 HG2 GLU 63 22.247 2.822 -11.418 475 HG3 GLU 63 HG3 GLU 63 22.620 3.835 -12.811 476 H LYS 64 H LYS 64 22.645 3.999 -8.382 477 HA LYS 64 HA LYS 64 24.553 2.890 -6.552 478 HB2 LYS 64 HB2 LYS 64 22.730 4.343 -5.781 479 HB3 LYS 64 HB3 LYS 64 21.549 3.159 -6.325 480 HG2 LYS 64 HG2 LYS 64 21.810 1.881 -4.507 481 HG3 LYS 64 HG3 LYS 64 23.562 2.096 -4.483 482 HD2 LYS 64 HD2 LYS 64 23.297 4.293 -3.473 483 HD3 LYS 64 HD3 LYS 64 21.541 4.135 -3.550 484 HE2 LYS 64 HE2 LYS 64 21.461 2.664 -1.810 485 HE3 LYS 64 HE3 LYS 64 23.052 1.991 -2.163 486 HZ1 LYS 64 HZ1 LYS 64 23.871 3.264 -0.568 487 HZ2 LYS 64 HZ2 LYS 64 22.363 3.980 -0.296 488 HZ3 LYS 64 HZ3 LYS 64 23.423 4.648 -1.432 489 H SER 65 H SER 65 25.290 0.906 -7.094 490 HA SER 65 HA SER 65 23.313 -1.258 -7.173 491 HB2 SER 65 HB2 SER 65 23.725 -1.651 -9.342 492 HB3 SER 65 HB3 SER 65 24.985 -0.417 -9.374 493 HG SER 65 HG SER 65 26.191 -2.133 -9.698 494 HA PRO 66 HA PRO 66 25.980 -3.408 -4.434 495 HB2 PRO 66 HB2 PRO 66 25.738 -5.978 -5.273 496 HB3 PRO 66 HB3 PRO 66 24.445 -5.117 -4.430 497 HG2 PRO 66 HG2 PRO 66 24.793 -5.611 -7.362 498 HG3 PRO 66 HG3 PRO 66 23.325 -5.727 -6.374 499 HD2 PRO 66 HD2 PRO 66 23.863 -3.584 -7.939 500 HD3 PRO 66 HD3 PRO 66 22.970 -3.450 -6.410 Start of MODEL 16 1 H1 GLY 1 H GLY 1 6.748 -8.174 -10.207 2 HA2 GLY 1 HA2 GLY 1 4.045 -7.809 -9.946 3 HA3 GLY 1 HA3 GLY 1 5.206 -7.345 -8.711 4 HA PRO 2 HA PRO 2 4.324 -3.092 -9.263 5 HB2 PRO 2 HB2 PRO 2 6.765 -1.904 -9.279 6 HB3 PRO 2 HB3 PRO 2 6.047 -2.603 -7.823 7 HG2 PRO 2 HG2 PRO 2 8.095 -3.766 -9.671 8 HG3 PRO 2 HG3 PRO 2 8.046 -3.788 -7.898 9 HD2 PRO 2 HD2 PRO 2 7.296 -5.911 -9.404 10 HD3 PRO 2 HD3 PRO 2 6.548 -5.540 -7.837 11 H LEU 3 H LEU 3 6.633 -4.461 -11.524 12 HA LEU 3 HA LEU 3 7.065 -4.065 -13.721 13 HB2 LEU 3 HB2 LEU 3 4.480 -2.542 -13.830 14 HB3 LEU 3 HB3 LEU 3 5.272 -3.450 -15.117 15 HG LEU 3 HG LEU 3 4.127 -4.776 -12.671 16 HD11 LEU 3 HD11 LEU 3 2.351 -3.523 -13.806 17 HD12 LEU 3 HD12 LEU 3 2.139 -5.265 -13.971 18 HD13 LEU 3 HD13 LEU 3 2.766 -4.323 -15.323 19 HD21 LEU 3 HD21 LEU 3 4.609 -5.897 -15.420 20 HD22 LEU 3 HD22 LEU 3 4.285 -6.772 -13.923 21 HD23 LEU 3 HD23 LEU 3 5.825 -5.940 -14.143 22 H GLY 4 H GLY 4 8.147 -2.243 -11.861 23 HA2 GLY 4 HA2 GLY 4 9.593 -0.425 -12.489 24 HA3 GLY 4 HA3 GLY 4 8.337 0.141 -13.580 25 H SER 5 H SER 5 9.341 -0.083 -10.227 26 HA SER 5 HA SER 5 7.156 1.627 -9.354 27 HB2 SER 5 HB2 SER 5 9.259 0.005 -7.997 28 HB3 SER 5 HB3 SER 5 8.593 1.386 -7.126 29 HG SER 5 HG SER 5 6.656 0.443 -7.069 30 HA PRO 6 HA PRO 6 9.306 5.450 -9.398 31 HB2 PRO 6 HB2 PRO 6 8.491 6.609 -7.083 32 HB3 PRO 6 HB3 PRO 6 7.430 6.408 -8.482 33 HG2 PRO 6 HG2 PRO 6 7.631 4.744 -6.002 34 HG3 PRO 6 HG3 PRO 6 6.183 5.297 -6.864 35 HD2 PRO 6 HD2 PRO 6 7.168 2.788 -7.130 36 HD3 PRO 6 HD3 PRO 6 6.342 3.635 -8.454 37 H GLU 7 H GLU 7 9.910 3.176 -6.916 38 HA GLU 7 HA GLU 7 12.436 4.542 -6.278 39 HB2 GLU 7 HB2 GLU 7 12.186 3.489 -3.957 40 HB3 GLU 7 HB3 GLU 7 11.196 4.896 -4.317 41 HG2 GLU 7 HG2 GLU 7 9.854 3.297 -3.167 42 HG3 GLU 7 HG3 GLU 7 9.312 3.379 -4.842 43 H GLU 8 H GLU 8 12.096 2.588 -8.260 44 HA GLU 8 HA GLU 8 12.746 -0.011 -7.281 45 HB2 GLU 8 HB2 GLU 8 13.180 -0.560 -9.633 46 HB3 GLU 8 HB3 GLU 8 11.651 0.285 -9.441 47 HG2 GLU 8 HG2 GLU 8 12.897 2.398 -10.058 48 HG3 GLU 8 HG3 GLU 8 14.235 1.353 -10.532 49 H THR 9 H THR 9 14.592 2.768 -8.349 50 HA THR 9 HA THR 9 17.030 1.458 -7.385 51 HB THR 9 HB THR 9 16.930 2.981 -9.996 52 HG1 THR 9 HG1 THR 9 16.804 1.077 -10.986 53 HG21 THR 9 HG21 THR 9 19.237 1.541 -9.989 54 HG22 THR 9 HG22 THR 9 19.086 1.952 -8.281 55 HG23 THR 9 HG23 THR 9 19.115 3.229 -9.496 56 H VAL 10 H VAL 10 18.629 2.871 -6.614 57 HA VAL 10 HA VAL 10 17.731 5.656 -6.248 58 HB VAL 10 HB VAL 10 19.507 4.148 -4.335 59 HG11 VAL 10 HG11 VAL 10 19.737 6.518 -4.139 60 HG12 VAL 10 HG12 VAL 10 17.987 6.744 -4.161 61 HG13 VAL 10 HG13 VAL 10 18.759 5.958 -2.783 62 HG21 VAL 10 HG21 VAL 10 17.075 4.490 -3.078 63 HG22 VAL 10 HG22 VAL 10 16.627 3.982 -4.707 64 HG23 VAL 10 HG23 VAL 10 17.702 2.978 -3.734 65 H VAL 11 H VAL 11 19.353 7.285 -6.169 66 HA VAL 11 HA VAL 11 21.960 6.493 -7.286 67 HB VAL 11 HB VAL 11 21.943 8.572 -8.650 68 HG11 VAL 11 HG11 VAL 11 21.477 6.590 -9.827 69 HG12 VAL 11 HG12 VAL 11 19.857 6.464 -9.138 70 HG13 VAL 11 HG13 VAL 11 20.219 7.725 -10.317 71 HG21 VAL 11 HG21 VAL 11 20.298 9.837 -7.377 72 HG22 VAL 11 HG22 VAL 11 19.805 9.702 -9.064 73 HG23 VAL 11 HG23 VAL 11 19.039 8.691 -7.838 74 H ILE 12 H ILE 12 23.726 7.798 -6.721 75 HA ILE 12 HA ILE 12 23.251 9.490 -4.362 76 HB ILE 12 HB ILE 12 25.952 8.426 -5.099 77 HG12 ILE 12 HG12 ILE 12 23.795 6.933 -3.592 78 HG13 ILE 12 HG13 ILE 12 24.507 6.467 -5.133 79 HG21 ILE 12 HG21 ILE 12 25.502 10.161 -3.286 80 HG22 ILE 12 HG22 ILE 12 24.765 8.844 -2.374 81 HG23 ILE 12 HG23 ILE 12 26.465 8.754 -2.833 82 HD11 ILE 12 HD11 ILE 12 26.665 6.153 -4.030 83 HD12 ILE 12 HD12 ILE 12 25.932 6.595 -2.487 84 HD13 ILE 12 HD13 ILE 12 25.407 5.136 -3.327 85 H ALA 13 H ALA 13 23.856 11.578 -4.353 86 HA ALA 13 HA ALA 13 24.567 12.829 -6.822 87 HB1 ALA 13 HB1 ALA 13 23.291 14.295 -5.674 88 HB2 ALA 13 HB2 ALA 13 23.846 13.717 -4.102 89 HB3 ALA 13 HB3 ALA 13 24.852 14.820 -5.041 90 H LEU 14 H LEU 14 26.515 13.389 -7.571 91 HA LEU 14 HA LEU 14 28.856 12.706 -5.981 92 HB2 LEU 14 HB2 LEU 14 28.823 13.728 -8.807 93 HB3 LEU 14 HB3 LEU 14 30.097 12.821 -7.993 94 HG LEU 14 HG LEU 14 27.404 11.601 -8.515 95 HD11 LEU 14 HD11 LEU 14 27.788 11.333 -10.687 96 HD12 LEU 14 HD12 LEU 14 29.450 10.821 -10.402 97 HD13 LEU 14 HD13 LEU 14 29.067 12.538 -10.530 98 HD21 LEU 14 HD21 LEU 14 29.954 10.099 -8.563 99 HD22 LEU 14 HD22 LEU 14 28.373 9.635 -7.934 100 HD23 LEU 14 HD23 LEU 14 29.413 10.711 -7.000 101 H TYR 15 H TYR 15 27.233 15.502 -7.302 102 HA TYR 15 HA TYR 15 28.932 17.229 -5.690 103 HB2 TYR 15 HB2 TYR 15 28.513 17.814 -8.625 104 HB3 TYR 15 HB3 TYR 15 29.496 18.727 -7.487 105 HD1 TYR 15 HD1 TYR 15 29.291 15.675 -9.512 106 HD2 TYR 15 HD2 TYR 15 31.695 17.952 -6.841 107 HE1 TYR 15 HE1 TYR 15 31.249 14.321 -10.129 108 HE2 TYR 15 HE2 TYR 15 33.660 16.605 -7.451 109 HH TYR 15 HH TYR 15 34.130 14.350 -8.373 110 H ASP 16 H ASP 16 28.017 19.302 -5.288 111 HA ASP 16 HA ASP 16 25.198 19.279 -5.034 112 HB2 ASP 16 HB2 ASP 16 25.544 21.703 -4.340 113 HB3 ASP 16 HB3 ASP 16 26.410 20.493 -3.397 114 H TYR 17 H TYR 17 24.299 19.037 -7.086 115 HA TYR 17 HA TYR 17 24.905 20.839 -9.227 116 HB2 TYR 17 HB2 TYR 17 24.169 18.614 -9.778 117 HB3 TYR 17 HB3 TYR 17 22.690 18.818 -8.845 118 HD1 TYR 17 HD1 TYR 17 24.498 20.228 -11.785 119 HD2 TYR 17 HD2 TYR 17 20.745 19.515 -9.911 120 HE1 TYR 17 HE1 TYR 17 23.344 21.031 -13.804 121 HE2 TYR 17 HE2 TYR 17 19.581 20.314 -11.925 122 HH TYR 17 HH TYR 17 20.264 20.443 -14.517 123 H GLN 18 H GLN 18 23.589 22.462 -10.097 124 HA GLN 18 HA GLN 18 21.341 23.367 -8.445 125 HB2 GLN 18 HB2 GLN 18 23.818 24.892 -9.137 126 HB3 GLN 18 HB3 GLN 18 22.293 25.757 -8.999 127 HG2 GLN 18 HG2 GLN 18 22.064 24.671 -6.713 128 HG3 GLN 18 HG3 GLN 18 23.759 24.217 -6.885 129 HE21 GLN 18 HE21 GLN 18 25.071 25.542 -5.880 130 HE22 GLN 18 HE22 GLN 18 24.860 27.245 -5.687 131 H THR 19 H THR 19 19.602 23.796 -9.627 132 HA THR 19 HA THR 19 19.868 23.930 -12.529 133 HB THR 19 HB THR 19 18.200 22.385 -11.747 134 HG1 THR 19 HG1 THR 19 16.245 23.623 -12.623 135 HG21 THR 19 HG21 THR 19 17.414 24.661 -10.011 136 HG22 THR 19 HG22 THR 19 17.456 22.933 -9.662 137 HG23 THR 19 HG23 THR 19 16.127 23.611 -10.600 138 H ASN 20 H ASN 20 18.557 25.505 -13.741 139 HA ASN 20 HA ASN 20 18.716 28.136 -12.466 140 HB2 ASN 20 HB2 ASN 20 19.923 27.912 -14.567 141 HB3 ASN 20 HB3 ASN 20 18.463 27.353 -15.378 142 HD21 ASN 20 HD21 ASN 20 19.526 30.079 -13.366 143 HD22 ASN 20 HD22 ASN 20 18.751 31.299 -14.314 144 H ASP 21 H ASP 21 16.458 25.849 -13.748 145 HA ASP 21 HA ASP 21 14.272 27.764 -13.251 146 HB2 ASP 21 HB2 ASP 21 14.688 25.802 -15.460 147 HB3 ASP 21 HB3 ASP 21 13.042 26.079 -14.896 148 HA PRO 22 HA PRO 22 12.530 24.984 -10.341 149 HB2 PRO 22 HB2 PRO 22 9.870 25.220 -10.826 150 HB3 PRO 22 HB3 PRO 22 10.823 26.497 -10.061 151 HG2 PRO 22 HG2 PRO 22 9.949 26.236 -12.912 152 HG3 PRO 22 HG3 PRO 22 9.952 27.670 -11.870 153 HD2 PRO 22 HD2 PRO 22 11.875 27.210 -13.720 154 HD3 PRO 22 HD3 PRO 22 12.201 28.056 -12.193 155 H GLN 23 H GLN 23 11.992 24.477 -13.704 156 HA GLN 23 HA GLN 23 10.415 22.168 -13.672 157 HB2 GLN 23 HB2 GLN 23 11.280 23.654 -15.651 158 HB3 GLN 23 HB3 GLN 23 12.610 22.504 -15.680 159 HG2 GLN 23 HG2 GLN 23 11.249 21.468 -17.149 160 HG3 GLN 23 HG3 GLN 23 10.594 20.774 -15.667 161 HE21 GLN 23 HE21 GLN 23 9.800 22.210 -18.506 162 HE22 GLN 23 HE22 GLN 23 8.231 22.811 -18.101 163 H GLU 24 H GLU 24 13.898 22.596 -13.326 164 HA GLU 24 HA GLU 24 14.201 19.703 -12.927 165 HB2 GLU 24 HB2 GLU 24 16.477 21.654 -13.119 166 HB3 GLU 24 HB3 GLU 24 16.478 19.927 -13.450 167 HG2 GLU 24 HG2 GLU 24 14.667 20.887 -15.270 168 HG3 GLU 24 HG3 GLU 24 15.873 22.171 -15.201 169 H LEU 25 H LEU 25 15.701 19.015 -11.192 170 HA LEU 25 HA LEU 25 15.296 20.673 -8.797 171 HB2 LEU 25 HB2 LEU 25 14.902 17.902 -9.337 172 HB3 LEU 25 HB3 LEU 25 16.153 18.063 -8.106 173 HG LEU 25 HG LEU 25 14.634 19.289 -6.674 174 HD11 LEU 25 HD11 LEU 25 13.036 20.492 -7.648 175 HD12 LEU 25 HD12 LEU 25 12.123 18.990 -7.785 176 HD13 LEU 25 HD13 LEU 25 13.118 19.543 -9.132 177 HD21 LEU 25 HD21 LEU 25 14.442 16.599 -7.329 178 HD22 LEU 25 HD22 LEU 25 12.771 17.164 -7.296 179 HD23 LEU 25 HD23 LEU 25 13.805 17.382 -5.883 180 H ALA 26 H ALA 26 17.022 20.248 -7.062 181 HA ALA 26 HA ALA 26 19.663 20.425 -8.353 182 HB1 ALA 26 HB1 ALA 26 19.951 21.445 -5.799 183 HB2 ALA 26 HB2 ALA 26 19.781 22.377 -7.287 184 HB3 ALA 26 HB3 ALA 26 18.361 22.015 -6.307 185 H LEU 27 H LEU 27 21.424 19.340 -7.459 186 HA LEU 27 HA LEU 27 20.697 17.102 -5.702 187 HB2 LEU 27 HB2 LEU 27 23.112 17.429 -7.476 188 HB3 LEU 27 HB3 LEU 27 22.682 15.988 -6.556 189 HG LEU 27 HG LEU 27 20.861 17.067 -8.682 190 HD11 LEU 27 HD11 LEU 27 22.874 16.813 -9.883 191 HD12 LEU 27 HD12 LEU 27 21.950 15.340 -10.175 192 HD13 LEU 27 HD13 LEU 27 23.289 15.328 -9.027 193 HD21 LEU 27 HD21 LEU 27 20.347 14.574 -8.795 194 HD22 LEU 27 HD22 LEU 27 19.804 15.443 -7.359 195 HD23 LEU 27 HD23 LEU 27 21.251 14.436 -7.287 196 H ARG 28 H ARG 28 22.180 16.448 -4.034 197 HA ARG 28 HA ARG 28 23.930 18.618 -3.084 198 HB2 ARG 28 HB2 ARG 28 21.890 17.012 -1.569 199 HB3 ARG 28 HB3 ARG 28 23.260 17.742 -0.742 200 HG2 ARG 28 HG2 ARG 28 21.363 19.316 -2.460 201 HG3 ARG 28 HG3 ARG 28 21.123 19.067 -0.729 202 HD2 ARG 28 HD2 ARG 28 23.441 20.018 -0.402 203 HD3 ARG 28 HD3 ARG 28 23.394 20.487 -2.100 204 HE ARG 28 HE ARG 28 21.119 21.420 -0.641 205 HH11 ARG 28 HH11 ARG 28 24.458 22.070 -1.382 206 HH12 ARG 28 HH12 ARG 28 24.324 23.775 -1.103 207 HH21 ARG 28 HH21 ARG 28 20.930 23.663 -0.271 208 HH22 ARG 28 HH22 ARG 28 22.316 24.680 -0.470 209 H ARG 29 H ARG 29 25.951 18.025 -2.623 210 HA ARG 29 HA ARG 29 27.038 15.585 -3.264 211 HB2 ARG 29 HB2 ARG 29 28.177 17.844 -2.676 212 HB3 ARG 29 HB3 ARG 29 28.199 17.221 -1.032 213 HG2 ARG 29 HG2 ARG 29 29.379 15.185 -1.964 214 HG3 ARG 29 HG3 ARG 29 29.573 16.107 -3.456 215 HD2 ARG 29 HD2 ARG 29 31.048 17.585 -2.513 216 HD3 ARG 29 HD3 ARG 29 30.390 17.372 -0.891 217 HE ARG 29 HE ARG 29 31.533 14.960 -1.543 218 HH11 ARG 29 HH11 ARG 29 32.607 18.260 -1.267 219 HH12 ARG 29 HH12 ARG 29 34.222 17.834 -0.809 220 HH21 ARG 29 HH21 ARG 29 33.657 14.386 -0.940 221 HH22 ARG 29 HH22 ARG 29 34.819 15.630 -0.624 222 H ASN 30 H ASN 30 27.238 13.643 -2.315 223 HA ASN 30 HA ASN 30 26.992 11.942 -0.826 224 HB2 ASN 30 HB2 ASN 30 28.416 13.650 0.545 225 HB3 ASN 30 HB3 ASN 30 26.924 13.899 1.448 226 HD21 ASN 30 HD21 ASN 30 27.276 12.927 3.327 227 HD22 ASN 30 HD22 ASN 30 27.769 11.283 3.526 228 H GLU 31 H GLU 31 24.713 12.524 -1.998 229 HA GLU 31 HA GLU 31 22.742 12.164 0.131 230 HB2 GLU 31 HB2 GLU 31 22.862 14.605 -0.711 231 HB3 GLU 31 HB3 GLU 31 22.117 13.985 -2.177 232 HG2 GLU 31 HG2 GLU 31 20.320 14.747 -0.932 233 HG3 GLU 31 HG3 GLU 31 20.328 13.011 -0.624 234 H GLU 32 H GLU 32 20.923 10.962 -0.466 235 HA GLU 32 HA GLU 32 21.267 9.449 -2.956 236 HB2 GLU 32 HB2 GLU 32 20.152 8.825 -0.277 237 HB3 GLU 32 HB3 GLU 32 19.381 8.051 -1.654 238 HG2 GLU 32 HG2 GLU 32 21.232 6.809 -2.174 239 HG3 GLU 32 HG3 GLU 32 22.345 7.957 -1.431 240 H TYR 33 H TYR 33 19.516 9.058 -4.347 241 HA TYR 33 HA TYR 33 17.093 10.647 -3.909 242 HB2 TYR 33 HB2 TYR 33 18.824 10.763 -6.385 243 HB3 TYR 33 HB3 TYR 33 17.193 11.417 -6.290 244 HD1 TYR 33 HD1 TYR 33 16.725 13.338 -4.774 245 HD2 TYR 33 HD2 TYR 33 20.682 11.944 -5.483 246 HE1 TYR 33 HE1 TYR 33 17.621 15.457 -3.903 247 HE2 TYR 33 HE2 TYR 33 21.589 14.058 -4.612 248 HH TYR 33 HH TYR 33 19.554 16.783 -3.919 249 H CYS 34 H CYS 34 15.288 9.585 -4.431 250 HA CYS 34 HA CYS 34 15.434 6.884 -5.340 251 HB2 CYS 34 HB2 CYS 34 13.334 8.720 -4.370 252 HB3 CYS 34 HB3 CYS 34 12.785 7.469 -5.480 253 HG CYS 34 HG CYS 34 12.633 6.989 -2.525 254 H LEU 35 H LEU 35 15.970 6.506 -7.401 255 HA LEU 35 HA LEU 35 15.484 8.215 -9.569 256 HB2 LEU 35 HB2 LEU 35 17.035 6.094 -9.246 257 HB3 LEU 35 HB3 LEU 35 15.674 5.283 -10.019 258 HG LEU 35 HG LEU 35 17.425 5.865 -11.624 259 HD11 LEU 35 HD11 LEU 35 15.926 6.298 -13.233 260 HD12 LEU 35 HD12 LEU 35 15.342 7.761 -12.439 261 HD13 LEU 35 HD13 LEU 35 14.746 6.182 -11.927 262 HD21 LEU 35 HD21 LEU 35 17.095 8.634 -11.921 263 HD22 LEU 35 HD22 LEU 35 18.539 7.770 -11.393 264 HD23 LEU 35 HD23 LEU 35 17.377 8.357 -10.202 265 H LEU 36 H LEU 36 13.820 8.458 -10.951 266 HA LEU 36 HA LEU 36 11.509 6.658 -10.629 267 HB2 LEU 36 HB2 LEU 36 11.404 9.587 -11.322 268 HB3 LEU 36 HB3 LEU 36 10.037 8.518 -11.016 269 HG LEU 36 HG LEU 36 11.966 8.793 -8.801 270 HD11 LEU 36 HD11 LEU 36 11.554 10.964 -8.228 271 HD12 LEU 36 HD12 LEU 36 10.034 11.031 -9.119 272 HD13 LEU 36 HD13 LEU 36 11.568 11.112 -9.986 273 HD21 LEU 36 HD21 LEU 36 10.045 8.598 -7.473 274 HD22 LEU 36 HD22 LEU 36 9.749 7.527 -8.843 275 HD23 LEU 36 HD23 LEU 36 8.980 9.114 -8.781 276 H ASP 37 H ASP 37 13.070 8.946 -12.864 277 HA ASP 37 HA ASP 37 12.339 7.150 -15.073 278 HB2 ASP 37 HB2 ASP 37 11.280 9.738 -14.651 279 HB3 ASP 37 HB3 ASP 37 12.412 9.870 -15.995 280 H SER 38 H SER 38 14.117 6.460 -16.039 281 HA SER 38 HA SER 38 16.424 8.287 -16.218 282 HB2 SER 38 HB2 SER 38 17.741 6.014 -16.271 283 HB3 SER 38 HB3 SER 38 17.231 6.700 -14.728 284 HG SER 38 HG SER 38 16.427 4.396 -15.978 285 H SER 39 H SER 39 15.514 8.905 -18.288 286 HA SER 39 HA SER 39 15.366 6.928 -20.385 287 HB2 SER 39 HB2 SER 39 13.796 8.656 -20.649 288 HB3 SER 39 HB3 SER 39 14.977 9.910 -20.271 289 HG SER 39 HG SER 39 15.167 8.259 -22.563 290 H GLU 40 H GLU 40 17.453 9.706 -19.628 291 HA GLU 40 HA GLU 40 19.745 8.395 -20.736 292 HB2 GLU 40 HB2 GLU 40 18.197 9.821 -22.554 293 HB3 GLU 40 HB3 GLU 40 19.490 10.935 -22.132 294 HG2 GLU 40 HG2 GLU 40 20.895 9.859 -23.451 295 HG3 GLU 40 HG3 GLU 40 20.609 8.354 -22.579 296 H ILE 41 H ILE 41 21.710 9.746 -20.552 297 HA ILE 41 HA ILE 41 21.953 10.909 -18.046 298 HB ILE 41 HB ILE 41 23.864 10.080 -19.373 299 HG12 ILE 41 HG12 ILE 41 23.879 12.020 -17.519 300 HG13 ILE 41 HG13 ILE 41 25.349 11.431 -18.288 301 HG21 ILE 41 HG21 ILE 41 24.862 11.661 -21.051 302 HG22 ILE 41 HG22 ILE 41 23.363 10.881 -21.552 303 HG23 ILE 41 HG23 ILE 41 23.344 12.557 -21.002 304 HD11 ILE 41 HD11 ILE 41 23.850 13.735 -19.455 305 HD12 ILE 41 HD12 ILE 41 24.957 13.966 -18.101 306 HD13 ILE 41 HD13 ILE 41 25.552 13.305 -19.623 307 H HIS 42 H HIS 42 20.765 12.262 -20.973 308 HA HIS 42 HA HIS 42 21.311 14.965 -20.676 309 HB2 HIS 42 HB2 HIS 42 18.919 13.546 -21.845 310 HB3 HIS 42 HB3 HIS 42 19.111 15.295 -21.918 311 HD1 HIS 42 HD1 HIS 42 20.998 12.173 -22.986 312 HD2 HIS 42 HD2 HIS 42 20.511 16.153 -24.076 313 HE1 HIS 42 HE1 HIS 42 22.280 12.444 -25.132 314 H TRP 43 H TRP 43 18.591 13.094 -19.365 315 HA TRP 43 HA TRP 43 18.368 14.966 -17.163 316 HB2 TRP 43 HB2 TRP 43 15.964 15.368 -17.507 317 HB3 TRP 43 HB3 TRP 43 16.922 15.995 -18.846 318 HD1 TRP 43 HD1 TRP 43 16.528 14.946 -21.230 319 HE1 TRP 43 HE1 TRP 43 14.765 13.324 -22.172 320 HE3 TRP 43 HE3 TRP 43 14.522 13.284 -16.831 321 HZ2 TRP 43 HZ2 TRP 43 12.786 11.572 -21.181 322 HZ3 TRP 43 HZ3 TRP 43 12.697 11.636 -16.915 323 HH2 TRP 43 HH2 TRP 43 11.848 10.799 -19.046 324 H TRP 44 H TRP 44 17.926 13.904 -15.340 325 HA TRP 44 HA TRP 44 16.678 11.242 -15.550 326 HB2 TRP 44 HB2 TRP 44 19.151 12.115 -14.183 327 HB3 TRP 44 HB3 TRP 44 18.113 11.030 -13.262 328 HD1 TRP 44 HD1 TRP 44 18.306 10.603 -17.040 329 HE1 TRP 44 HE1 TRP 44 19.521 8.397 -17.569 330 HE3 TRP 44 HE3 TRP 44 19.904 9.409 -12.333 331 HZ2 TRP 44 HZ2 TRP 44 20.965 6.412 -16.175 332 HZ3 TRP 44 HZ3 TRP 44 21.196 7.339 -12.016 333 HH2 TRP 44 HH2 TRP 44 21.714 5.873 -13.898 334 H ARG 45 H ARG 45 14.769 11.162 -14.585 335 HA ARG 45 HA ARG 45 13.967 13.216 -12.720 336 HB2 ARG 45 HB2 ARG 45 12.653 11.458 -14.515 337 HB3 ARG 45 HB3 ARG 45 12.052 11.095 -12.903 338 HG2 ARG 45 HG2 ARG 45 11.822 13.708 -12.754 339 HG3 ARG 45 HG3 ARG 45 11.788 13.578 -14.513 340 HD2 ARG 45 HD2 ARG 45 9.922 12.025 -14.382 341 HD3 ARG 45 HD3 ARG 45 9.980 12.080 -12.621 342 HE ARG 45 HE ARG 45 8.778 14.003 -14.367 343 HH11 ARG 45 HH11 ARG 45 10.305 13.557 -11.270 344 HH12 ARG 45 HH12 ARG 45 9.529 14.925 -10.545 345 HH21 ARG 45 HH21 ARG 45 7.750 15.807 -13.423 346 HH22 ARG 45 HH22 ARG 45 8.075 16.204 -11.769 347 H VAL 46 H VAL 46 14.361 13.096 -10.620 348 HA VAL 46 HA VAL 46 14.219 10.474 -9.297 349 HB VAL 46 HB VAL 46 16.136 10.958 -7.921 350 HG11 VAL 46 HG11 VAL 46 16.275 10.208 -10.492 351 HG12 VAL 46 HG12 VAL 46 17.286 11.653 -10.551 352 HG13 VAL 46 HG13 VAL 46 17.688 10.338 -9.446 353 HG21 VAL 46 HG21 VAL 46 17.531 12.960 -8.331 354 HG22 VAL 46 HG22 VAL 46 16.292 13.566 -9.430 355 HG23 VAL 46 HG23 VAL 46 15.926 13.355 -7.718 356 H GLN 47 H GLN 47 14.070 10.725 -6.871 357 HA GLN 47 HA GLN 47 12.516 13.131 -6.184 358 HB2 GLN 47 HB2 GLN 47 10.951 11.338 -6.363 359 HB3 GLN 47 HB3 GLN 47 11.994 10.252 -5.454 360 HG2 GLN 47 HG2 GLN 47 11.495 11.255 -3.429 361 HG3 GLN 47 HG3 GLN 47 10.943 12.746 -4.191 362 HE21 GLN 47 HE21 GLN 47 8.903 12.932 -3.538 363 HE22 GLN 47 HE22 GLN 47 7.676 11.733 -3.741 364 H ASP 48 H ASP 48 12.892 14.070 -4.222 365 HA ASP 48 HA ASP 48 15.366 13.397 -2.923 366 HB2 ASP 48 HB2 ASP 48 13.283 15.498 -2.291 367 HB3 ASP 48 HB3 ASP 48 14.835 15.352 -1.470 368 H ARG 49 H ARG 49 15.157 13.733 -0.331 369 HA ARG 49 HA ARG 49 13.571 11.440 0.524 370 HB2 ARG 49 HB2 ARG 49 15.776 13.014 1.853 371 HB3 ARG 49 HB3 ARG 49 14.883 11.737 2.669 372 HG2 ARG 49 HG2 ARG 49 15.612 10.366 0.524 373 HG3 ARG 49 HG3 ARG 49 16.910 11.562 0.516 374 HD2 ARG 49 HD2 ARG 49 17.761 9.803 1.796 375 HD3 ARG 49 HD3 ARG 49 17.209 10.979 2.989 376 HE ARG 49 HE ARG 49 15.068 9.370 2.719 377 HH11 ARG 49 HH11 ARG 49 18.443 8.727 3.281 378 HH12 ARG 49 HH12 ARG 49 18.151 7.278 4.184 379 HH21 ARG 49 HH21 ARG 49 14.670 7.463 3.906 380 HH22 ARG 49 HH22 ARG 49 16.005 6.559 4.538 381 H ASN 50 H ASN 50 12.655 14.362 0.023 382 HA ASN 50 HA ASN 50 11.279 14.701 2.607 383 HB2 ASN 50 HB2 ASN 50 11.770 16.885 0.579 384 HB3 ASN 50 HB3 ASN 50 11.214 17.063 2.241 385 HD21 ASN 50 HD21 ASN 50 13.946 16.233 0.215 386 HD22 ASN 50 HD22 ASN 50 15.163 16.556 1.398 387 H GLY 51 H GLY 51 10.965 14.390 -0.832 388 HA2 GLY 51 HA2 GLY 51 8.795 13.376 -1.508 389 HA3 GLY 51 HA3 GLY 51 8.033 14.635 -0.548 390 H HIS 52 H HIS 52 10.841 15.302 -2.497 391 HA HIS 52 HA HIS 52 9.124 16.788 -4.376 392 HB2 HIS 52 HB2 HIS 52 11.943 17.529 -3.579 393 HB3 HIS 52 HB3 HIS 52 10.825 18.483 -4.549 394 HD1 HIS 52 HD1 HIS 52 11.930 17.946 -1.122 395 HD2 HIS 52 HD2 HIS 52 8.548 19.466 -2.997 396 HE1 HIS 52 HE1 HIS 52 10.706 19.247 0.649 397 H GLU 53 H GLU 53 9.216 16.119 -6.410 398 HA GLU 53 HA GLU 53 11.548 14.534 -7.259 399 HB2 GLU 53 HB2 GLU 53 8.867 14.542 -8.627 400 HB3 GLU 53 HB3 GLU 53 10.152 13.349 -8.753 401 HG2 GLU 53 HG2 GLU 53 9.729 12.915 -6.265 402 HG3 GLU 53 HG3 GLU 53 8.221 13.793 -6.510 403 H GLY 54 H GLY 54 12.702 15.114 -9.029 404 HA2 GLY 54 HA2 GLY 54 11.682 17.079 -10.898 405 HA3 GLY 54 HA3 GLY 54 13.001 17.648 -9.886 406 H TYR 55 H TYR 55 13.843 17.885 -12.204 407 HA TYR 55 HA TYR 55 14.984 15.372 -13.194 408 HB2 TYR 55 HB2 TYR 55 14.779 18.101 -14.478 409 HB3 TYR 55 HB3 TYR 55 15.558 16.709 -15.221 410 HD1 TYR 55 HD1 TYR 55 12.296 17.881 -13.867 411 HD2 TYR 55 HD2 TYR 55 14.304 15.191 -16.481 412 HE1 TYR 55 HE1 TYR 55 10.130 17.173 -14.792 413 HE2 TYR 55 HE2 TYR 55 12.144 14.477 -17.415 414 HH TYR 55 HH TYR 55 9.946 14.821 -17.443 415 H VAL 56 H VAL 56 17.182 15.081 -13.466 416 HA VAL 56 HA VAL 56 19.036 17.189 -12.751 417 HB VAL 56 HB VAL 56 20.191 15.649 -11.076 418 HG11 VAL 56 HG11 VAL 56 17.500 16.706 -10.228 419 HG12 VAL 56 HG12 VAL 56 18.952 16.533 -9.239 420 HG13 VAL 56 HG13 VAL 56 18.903 17.728 -10.536 421 HG21 VAL 56 HG21 VAL 56 18.983 13.607 -11.575 422 HG22 VAL 56 HG22 VAL 56 18.715 14.068 -9.894 423 HG23 VAL 56 HG23 VAL 56 17.462 14.362 -11.099 424 HA PRO 57 HA PRO 57 21.633 15.095 -15.605 425 HB2 PRO 57 HB2 PRO 57 24.091 15.762 -14.664 426 HB3 PRO 57 HB3 PRO 57 23.031 16.914 -15.483 427 HG2 PRO 57 HG2 PRO 57 23.499 16.524 -12.553 428 HG3 PRO 57 HG3 PRO 57 23.370 18.034 -13.474 429 HD2 PRO 57 HD2 PRO 57 21.319 17.040 -12.011 430 HD3 PRO 57 HD3 PRO 57 21.067 17.965 -13.505 431 H SER 58 H SER 58 22.089 12.999 -15.774 432 HA SER 58 HA SER 58 22.421 11.321 -13.507 433 HB2 SER 58 HB2 SER 58 21.396 10.619 -15.693 434 HB3 SER 58 HB3 SER 58 23.015 10.631 -16.393 435 HG SER 58 HG SER 58 23.041 8.642 -15.694 436 H SER 59 H SER 59 24.620 12.932 -15.669 437 HA SER 59 HA SER 59 26.936 11.433 -15.268 438 HB2 SER 59 HB2 SER 59 26.905 13.122 -16.974 439 HB3 SER 59 HB3 SER 59 26.571 14.389 -15.793 440 HG SER 59 HG SER 59 28.958 13.142 -16.438 441 H TYR 60 H TYR 60 25.263 13.572 -13.148 442 HA TYR 60 HA TYR 60 27.541 13.618 -11.292 443 HB2 TYR 60 HB2 TYR 60 25.023 15.291 -11.365 444 HB3 TYR 60 HB3 TYR 60 26.247 15.393 -10.105 445 HD1 TYR 60 HD2 TYR 60 25.889 15.646 -13.811 446 HD2 TYR 60 HD1 TYR 60 27.969 16.929 -10.328 447 HE1 TYR 60 HE2 TYR 60 27.136 17.278 -15.164 448 HE2 TYR 60 HE1 TYR 60 29.221 18.565 -11.671 449 HH TYR 60 HH TYR 60 28.542 19.017 -15.118 450 H LEU 61 H LEU 61 25.371 11.485 -11.886 451 HA LEU 61 HA LEU 61 24.767 10.956 -9.058 452 HB2 LEU 61 HB2 LEU 61 22.930 10.886 -11.412 453 HB3 LEU 61 HB3 LEU 61 22.657 9.792 -10.057 454 HG LEU 61 HG LEU 61 22.854 12.771 -9.694 455 HD11 LEU 61 HD11 LEU 61 21.073 12.474 -11.255 456 HD12 LEU 61 HD12 LEU 61 20.360 12.738 -9.663 457 HD13 LEU 61 HD13 LEU 61 20.426 11.111 -10.341 458 HD21 LEU 61 HD21 LEU 61 22.759 12.163 -7.558 459 HD22 LEU 61 HD22 LEU 61 22.462 10.478 -7.983 460 HD23 LEU 61 HD23 LEU 61 21.113 11.608 -7.860 461 H VAL 62 H VAL 62 25.214 8.941 -8.374 462 HA VAL 62 HA VAL 62 26.102 6.997 -10.403 463 HB VAL 62 HB VAL 62 27.813 7.834 -8.739 464 HG11 VAL 62 HG11 VAL 62 25.908 7.514 -6.879 465 HG12 VAL 62 HG12 VAL 62 26.749 5.972 -6.708 466 HG13 VAL 62 HG13 VAL 62 27.632 7.487 -6.511 467 HG21 VAL 62 HG21 VAL 62 27.924 5.054 -8.100 468 HG22 VAL 62 HG22 VAL 62 27.321 5.243 -9.747 469 HG23 VAL 62 HG23 VAL 62 28.866 5.957 -9.287 470 H GLU 63 H GLU 63 25.274 4.964 -10.420 471 HA GLU 63 HA GLU 63 22.765 4.493 -9.237 472 HB2 GLU 63 HB2 GLU 63 24.368 3.263 -11.183 473 HB3 GLU 63 HB3 GLU 63 24.112 2.037 -9.948 474 HG2 GLU 63 HG2 GLU 63 21.625 2.726 -10.129 475 HG3 GLU 63 HG3 GLU 63 22.110 3.428 -11.671 476 H LYS 64 H LYS 64 22.373 4.138 -7.163 477 HA LYS 64 HA LYS 64 24.392 3.272 -5.334 478 HB2 LYS 64 HB2 LYS 64 22.422 4.823 -4.842 479 HB3 LYS 64 HB3 LYS 64 21.429 3.373 -4.784 480 HG2 LYS 64 HG2 LYS 64 23.875 3.367 -3.128 481 HG3 LYS 64 HG3 LYS 64 22.574 4.450 -2.628 482 HD2 LYS 64 HD2 LYS 64 21.010 2.524 -2.709 483 HD3 LYS 64 HD3 LYS 64 22.380 1.471 -3.072 484 HE2 LYS 64 HE2 LYS 64 23.369 2.593 -0.899 485 HE3 LYS 64 HE3 LYS 64 21.665 2.866 -0.540 486 HZ1 LYS 64 HZ1 LYS 64 22.783 0.208 -1.236 487 HZ2 LYS 64 HZ2 LYS 64 21.239 0.548 -0.633 488 HZ3 LYS 64 HZ3 LYS 64 22.597 0.755 0.355 489 H SER 65 H SER 65 25.097 1.229 -5.804 490 HA SER 65 HA SER 65 23.305 -0.932 -5.077 491 HB2 SER 65 HB2 SER 65 23.088 -1.921 -7.096 492 HB3 SER 65 HB3 SER 65 23.540 -0.349 -7.756 493 HG SER 65 HG SER 65 25.013 -1.631 -8.647 494 HA PRO 66 HA PRO 66 26.925 -2.733 -3.379 495 HB2 PRO 66 HB2 PRO 66 26.499 -5.386 -3.769 496 HB3 PRO 66 HB3 PRO 66 25.595 -4.431 -2.587 497 HG2 PRO 66 HG2 PRO 66 24.801 -5.273 -5.348 498 HG3 PRO 66 HG3 PRO 66 23.839 -5.271 -3.859 499 HD2 PRO 66 HD2 PRO 66 23.625 -3.330 -5.735 500 HD3 PRO 66 HD3 PRO 66 23.390 -3.015 -4.003 Start of MODEL 17 1 H1 GLY 1 H GLY 1 4.125 -1.144 3.602 2 HA2 GLY 1 HA2 GLY 1 3.397 1.568 2.874 3 HA3 GLY 1 HA3 GLY 1 4.978 1.050 2.308 4 HA PRO 2 HA PRO 2 1.487 -0.253 -0.622 5 HB2 PRO 2 HB2 PRO 2 2.085 1.435 -2.663 6 HB3 PRO 2 HB3 PRO 2 0.959 1.856 -1.367 7 HG2 PRO 2 HG2 PRO 2 3.840 2.604 -1.691 8 HG3 PRO 2 HG3 PRO 2 2.474 3.609 -1.174 9 HD2 PRO 2 HD2 PRO 2 4.239 2.537 0.578 10 HD3 PRO 2 HD3 PRO 2 2.530 2.798 0.983 11 H LEU 3 H LEU 3 1.788 -1.515 -2.489 12 HA LEU 3 HA LEU 3 4.604 -2.073 -3.154 13 HB2 LEU 3 HB2 LEU 3 2.254 -3.960 -3.133 14 HB3 LEU 3 HB3 LEU 3 3.881 -4.373 -3.668 15 HG LEU 3 HG LEU 3 3.188 -3.519 -0.860 16 HD11 LEU 3 HD11 LEU 3 3.469 -6.258 -2.073 17 HD12 LEU 3 HD12 LEU 3 2.077 -5.586 -1.225 18 HD13 LEU 3 HD13 LEU 3 3.560 -5.944 -0.340 19 HD21 LEU 3 HD21 LEU 3 5.623 -3.586 -2.169 20 HD22 LEU 3 HD22 LEU 3 5.576 -5.111 -1.285 21 HD23 LEU 3 HD23 LEU 3 5.371 -3.585 -0.423 22 H GLY 4 H GLY 4 4.815 -0.809 -4.960 23 HA2 GLY 4 HA2 GLY 4 4.513 -1.545 -7.441 24 HA3 GLY 4 HA3 GLY 4 2.839 -1.127 -7.107 25 H SER 5 H SER 5 6.124 0.159 -7.239 26 HA SER 5 HA SER 5 5.017 2.724 -8.103 27 HB2 SER 5 HB2 SER 5 6.524 2.243 -5.610 28 HB3 SER 5 HB3 SER 5 7.089 3.607 -6.575 29 HG SER 5 HG SER 5 5.014 3.537 -4.962 30 HA PRO 6 HA PRO 6 8.285 2.752 -11.028 31 HB2 PRO 6 HB2 PRO 6 8.936 5.385 -11.156 32 HB3 PRO 6 HB3 PRO 6 7.433 4.734 -11.820 33 HG2 PRO 6 HG2 PRO 6 7.905 6.130 -9.215 34 HG3 PRO 6 HG3 PRO 6 6.575 6.336 -10.370 35 HD2 PRO 6 HD2 PRO 6 6.327 4.863 -8.111 36 HD3 PRO 6 HD3 PRO 6 5.456 4.470 -9.607 37 H GLU 7 H GLU 7 9.663 1.553 -9.435 38 HA GLU 7 HA GLU 7 12.067 3.124 -8.883 39 HB2 GLU 7 HB2 GLU 7 12.300 1.944 -6.670 40 HB3 GLU 7 HB3 GLU 7 11.017 3.143 -6.746 41 HG2 GLU 7 HG2 GLU 7 9.427 1.250 -7.213 42 HG3 GLU 7 HG3 GLU 7 10.749 0.153 -6.818 43 H GLU 8 H GLU 8 13.519 2.159 -10.146 44 HA GLU 8 HA GLU 8 13.715 -0.778 -10.031 45 HB2 GLU 8 HB2 GLU 8 14.637 -0.601 -12.396 46 HB3 GLU 8 HB3 GLU 8 12.910 -0.337 -12.205 47 HG2 GLU 8 HG2 GLU 8 13.334 2.105 -12.226 48 HG3 GLU 8 HG3 GLU 8 15.029 1.766 -12.570 49 H THR 9 H THR 9 15.456 2.255 -10.603 50 HA THR 9 HA THR 9 17.842 1.021 -9.413 51 HB THR 9 HB THR 9 17.950 2.841 -11.824 52 HG1 THR 9 HG1 THR 9 17.912 1.092 -13.028 53 HG21 THR 9 HG21 THR 9 20.044 3.123 -11.046 54 HG22 THR 9 HG22 THR 9 20.322 1.502 -11.681 55 HG23 THR 9 HG23 THR 9 19.938 1.727 -9.975 56 H VAL 10 H VAL 10 19.228 2.447 -8.311 57 HA VAL 10 HA VAL 10 18.077 5.109 -7.776 58 HB VAL 10 HB VAL 10 19.684 3.512 -5.788 59 HG11 VAL 10 HG11 VAL 10 19.683 5.850 -5.313 60 HG12 VAL 10 HG12 VAL 10 17.943 5.962 -5.583 61 HG13 VAL 10 HG13 VAL 10 18.565 5.078 -4.189 62 HG21 VAL 10 HG21 VAL 10 17.924 2.161 -5.565 63 HG22 VAL 10 HG22 VAL 10 17.071 3.545 -4.883 64 HG23 VAL 10 HG23 VAL 10 16.917 3.173 -6.600 65 H VAL 11 H VAL 11 19.562 6.801 -7.269 66 HA VAL 11 HA VAL 11 22.344 6.289 -8.083 67 HB VAL 11 HB VAL 11 22.377 8.485 -9.229 68 HG11 VAL 11 HG11 VAL 11 20.467 6.376 -10.199 69 HG12 VAL 11 HG12 VAL 11 20.933 7.761 -11.187 70 HG13 VAL 11 HG13 VAL 11 22.157 6.612 -10.644 71 HG21 VAL 11 HG21 VAL 11 20.510 9.811 -9.540 72 HG22 VAL 11 HG22 VAL 11 19.387 8.488 -9.222 73 HG23 VAL 11 HG23 VAL 11 20.273 9.232 -7.891 74 H ILE 12 H ILE 12 23.914 7.679 -7.177 75 HA ILE 12 HA ILE 12 23.000 9.044 -4.734 76 HB ILE 12 HB ILE 12 25.849 8.237 -5.184 77 HG12 ILE 12 HG12 ILE 12 23.630 6.453 -4.162 78 HG13 ILE 12 HG13 ILE 12 24.575 6.210 -5.627 79 HG21 ILE 12 HG21 ILE 12 24.311 8.220 -2.613 80 HG22 ILE 12 HG22 ILE 12 26.047 8.389 -2.870 81 HG23 ILE 12 HG23 ILE 12 24.963 9.720 -3.275 82 HD11 ILE 12 HD11 ILE 12 25.619 6.125 -2.807 83 HD12 ILE 12 HD12 ILE 12 25.329 4.741 -3.862 84 HD13 ILE 12 HD13 ILE 12 26.585 5.910 -4.267 85 H ALA 13 H ALA 13 23.442 11.151 -4.424 86 HA ALA 13 HA ALA 13 24.378 12.711 -6.627 87 HB1 ALA 13 HB1 ALA 13 22.838 13.938 -5.511 88 HB2 ALA 13 HB2 ALA 13 23.265 13.253 -3.942 89 HB3 ALA 13 HB3 ALA 13 24.269 14.515 -4.656 90 H LEU 14 H LEU 14 26.387 13.325 -7.079 91 HA LEU 14 HA LEU 14 28.529 12.655 -5.243 92 HB2 LEU 14 HB2 LEU 14 28.893 14.026 -7.880 93 HB3 LEU 14 HB3 LEU 14 29.996 12.944 -7.032 94 HG LEU 14 HG LEU 14 27.401 12.031 -8.261 95 HD11 LEU 14 HD11 LEU 14 28.325 11.965 -10.277 96 HD12 LEU 14 HD12 LEU 14 29.777 11.182 -9.652 97 HD13 LEU 14 HD13 LEU 14 29.648 12.941 -9.638 98 HD21 LEU 14 HD21 LEU 14 29.567 10.779 -6.735 99 HD22 LEU 14 HD22 LEU 14 29.120 9.921 -8.209 100 HD23 LEU 14 HD23 LEU 14 27.900 10.259 -6.980 101 H TYR 15 H TYR 15 26.922 15.494 -6.501 102 HA TYR 15 HA TYR 15 28.271 17.120 -4.497 103 HB2 TYR 15 HB2 TYR 15 28.195 18.013 -7.382 104 HB3 TYR 15 HB3 TYR 15 28.977 18.827 -6.031 105 HD1 TYR 15 HD2 TYR 15 31.055 17.908 -5.067 106 HD2 TYR 15 HD1 TYR 15 29.259 16.193 -8.521 107 HE1 TYR 15 HE2 TYR 15 33.153 16.724 -5.563 108 HE2 TYR 15 HE1 TYR 15 31.351 15.003 -9.026 109 HH TYR 15 HH TYR 15 34.062 15.633 -8.240 110 H ASP 16 H ASP 16 27.212 19.168 -4.118 111 HA ASP 16 HA ASP 16 24.378 18.946 -4.209 112 HB2 ASP 16 HB2 ASP 16 25.322 20.057 -2.326 113 HB3 ASP 16 HB3 ASP 16 26.233 21.164 -3.350 114 H TYR 17 H TYR 17 23.703 18.884 -6.341 115 HA TYR 17 HA TYR 17 24.480 20.908 -8.226 116 HB2 TYR 17 HB2 TYR 17 23.985 18.738 -9.105 117 HB3 TYR 17 HB3 TYR 17 22.414 18.707 -8.313 118 HD1 TYR 17 HD1 TYR 17 24.342 20.608 -10.877 119 HD2 TYR 17 HD2 TYR 17 20.520 19.346 -9.499 120 HE1 TYR 17 HE1 TYR 17 23.310 21.540 -12.906 121 HE2 TYR 17 HE2 TYR 17 19.477 20.274 -11.524 122 HH TYR 17 HH TYR 17 19.824 21.672 -13.298 123 H GLN 18 H GLN 18 23.188 22.542 -9.097 124 HA GLN 18 HA GLN 18 20.675 23.136 -7.709 125 HB2 GLN 18 HB2 GLN 18 23.115 24.860 -7.851 126 HB3 GLN 18 HB3 GLN 18 21.530 25.620 -7.851 127 HG2 GLN 18 HG2 GLN 18 20.994 24.562 -5.737 128 HG3 GLN 18 HG3 GLN 18 22.547 23.728 -5.744 129 HE21 GLN 18 HE21 GLN 18 24.392 24.834 -5.213 130 HE22 GLN 18 HE22 GLN 18 24.379 26.428 -4.547 131 H THR 19 H THR 19 19.108 23.526 -9.116 132 HA THR 19 HA THR 19 19.768 24.008 -11.905 133 HB THR 19 HB THR 19 18.074 22.345 -11.505 134 HG1 THR 19 HG1 THR 19 17.774 23.798 -13.311 135 HG21 THR 19 HG21 THR 19 17.058 22.728 -9.481 136 HG22 THR 19 HG22 THR 19 15.810 23.331 -10.572 137 HG23 THR 19 HG23 THR 19 16.899 24.461 -9.767 138 H ASN 20 H ASN 20 18.559 25.649 -13.143 139 HA ASN 20 HA ASN 20 18.497 28.163 -11.658 140 HB2 ASN 20 HB2 ASN 20 19.721 27.688 -13.945 141 HB3 ASN 20 HB3 ASN 20 18.129 28.014 -14.623 142 HD21 ASN 20 HD21 ASN 20 17.462 30.062 -14.822 143 HD22 ASN 20 HD22 ASN 20 18.344 31.443 -14.274 144 H ASP 21 H ASP 21 16.399 25.926 -13.256 145 HA ASP 21 HA ASP 21 14.129 27.739 -12.761 146 HB2 ASP 21 HB2 ASP 21 14.763 26.014 -15.108 147 HB3 ASP 21 HB3 ASP 21 13.073 26.173 -14.637 148 HA PRO 22 HA PRO 22 12.277 24.659 -10.249 149 HB2 PRO 22 HB2 PRO 22 9.650 24.877 -10.897 150 HB3 PRO 22 HB3 PRO 22 10.510 26.098 -9.953 151 HG2 PRO 22 HG2 PRO 22 9.841 26.085 -12.870 152 HG3 PRO 22 HG3 PRO 22 9.729 27.415 -11.703 153 HD2 PRO 22 HD2 PRO 22 11.787 27.176 -13.447 154 HD3 PRO 22 HD3 PRO 22 11.983 27.882 -11.830 155 H GLN 23 H GLN 23 11.978 24.458 -13.674 156 HA GLN 23 HA GLN 23 10.473 22.125 -13.972 157 HB2 GLN 23 HB2 GLN 23 11.448 23.803 -15.736 158 HB3 GLN 23 HB3 GLN 23 12.803 22.684 -15.766 159 HG2 GLN 23 HG2 GLN 23 11.588 21.753 -17.418 160 HG3 GLN 23 HG3 GLN 23 10.823 20.930 -16.060 161 HE21 GLN 23 HE21 GLN 23 10.556 23.873 -18.012 162 HE22 GLN 23 HE22 GLN 23 8.829 23.927 -18.008 163 H GLU 24 H GLU 24 13.944 22.567 -13.441 164 HA GLU 24 HA GLU 24 14.296 19.666 -13.280 165 HB2 GLU 24 HB2 GLU 24 16.512 21.670 -12.991 166 HB3 GLU 24 HB3 GLU 24 16.592 20.010 -13.564 167 HG2 GLU 24 HG2 GLU 24 15.432 22.370 -15.023 168 HG3 GLU 24 HG3 GLU 24 16.921 21.508 -15.407 169 H LEU 25 H LEU 25 15.640 18.808 -11.497 170 HA LEU 25 HA LEU 25 14.913 20.124 -8.972 171 HB2 LEU 25 HB2 LEU 25 14.799 17.424 -9.892 172 HB3 LEU 25 HB3 LEU 25 15.891 17.512 -8.511 173 HG LEU 25 HG LEU 25 14.147 18.389 -7.113 174 HD11 LEU 25 HD11 LEU 25 12.696 19.747 -8.151 175 HD12 LEU 25 HD12 LEU 25 11.777 18.269 -8.433 176 HD13 LEU 25 HD13 LEU 25 12.843 18.897 -9.690 177 HD21 LEU 25 HD21 LEU 25 12.410 16.386 -8.172 178 HD22 LEU 25 HD22 LEU 25 13.452 16.314 -6.750 179 HD23 LEU 25 HD23 LEU 25 14.081 15.844 -8.330 180 H ALA 26 H ALA 26 16.488 19.613 -7.134 181 HA ALA 26 HA ALA 26 19.229 20.071 -8.112 182 HB1 ALA 26 HB1 ALA 26 19.123 21.920 -6.876 183 HB2 ALA 26 HB2 ALA 26 17.625 21.404 -6.101 184 HB3 ALA 26 HB3 ALA 26 19.178 20.868 -5.461 185 H LEU 27 H LEU 27 20.966 19.055 -7.056 186 HA LEU 27 HA LEU 27 20.204 16.598 -5.638 187 HB2 LEU 27 HB2 LEU 27 22.812 17.261 -6.995 188 HB3 LEU 27 HB3 LEU 27 22.342 15.701 -6.324 189 HG LEU 27 HG LEU 27 20.766 16.933 -8.554 190 HD11 LEU 27 HD11 LEU 27 22.535 15.034 -9.634 191 HD12 LEU 27 HD12 LEU 27 23.515 16.162 -8.698 192 HD13 LEU 27 HD13 LEU 27 22.457 16.763 -9.974 193 HD21 LEU 27 HD21 LEU 27 19.783 15.029 -7.454 194 HD22 LEU 27 HD22 LEU 27 21.279 14.110 -7.626 195 HD23 LEU 27 HD23 LEU 27 20.342 14.547 -9.056 196 H ARG 28 H ARG 28 21.564 15.863 -3.876 197 HA ARG 28 HA ARG 28 22.976 18.042 -2.490 198 HB2 ARG 28 HB2 ARG 28 21.060 16.047 -1.270 199 HB3 ARG 28 HB3 ARG 28 22.068 17.155 -0.349 200 HG2 ARG 28 HG2 ARG 28 20.234 18.251 -2.424 201 HG3 ARG 28 HG3 ARG 28 19.577 17.733 -0.870 202 HD2 ARG 28 HD2 ARG 28 21.581 19.172 0.063 203 HD3 ARG 28 HD3 ARG 28 21.437 19.968 -1.503 204 HE ARG 28 HE ARG 28 19.485 20.933 -0.795 205 HH11 ARG 28 HH11 ARG 28 20.312 18.317 1.348 206 HH12 ARG 28 HH12 ARG 28 19.072 18.694 2.498 207 HH21 ARG 28 HH21 ARG 28 17.849 21.440 0.711 208 HH22 ARG 28 HH22 ARG 28 17.671 20.470 2.134 209 H ARG 29 H ARG 29 24.965 17.537 -1.840 210 HA ARG 29 HA ARG 29 26.291 15.228 -2.532 211 HB2 ARG 29 HB2 ARG 29 27.197 17.495 -1.653 212 HB3 ARG 29 HB3 ARG 29 27.065 16.753 -0.064 213 HG2 ARG 29 HG2 ARG 29 28.473 14.855 -1.017 214 HG3 ARG 29 HG3 ARG 29 28.811 15.945 -2.363 215 HD2 ARG 29 HD2 ARG 29 29.537 17.637 -0.615 216 HD3 ARG 29 HD3 ARG 29 29.485 16.310 0.544 217 HE ARG 29 HE ARG 29 31.049 15.325 -1.417 218 HH11 ARG 29 HH11 ARG 29 31.096 18.311 0.372 219 HH12 ARG 29 HH12 ARG 29 32.816 18.495 0.271 220 HH21 ARG 29 HH21 ARG 29 33.314 15.557 -1.557 221 HH22 ARG 29 HH22 ARG 29 34.076 16.929 -0.827 222 H ASN 30 H ASN 30 26.575 13.244 -1.679 223 HA ASN 30 HA ASN 30 26.294 11.419 -0.351 224 HB2 ASN 30 HB2 ASN 30 27.337 13.144 1.317 225 HB3 ASN 30 HB3 ASN 30 25.719 13.175 2.012 226 HD21 ASN 30 HD21 ASN 30 27.053 12.375 3.864 227 HD22 ASN 30 HD22 ASN 30 27.245 10.665 4.015 228 H GLU 31 H GLU 31 24.122 12.068 -1.804 229 HA GLU 31 HA GLU 31 21.929 11.312 -0.011 230 HB2 GLU 31 HB2 GLU 31 21.890 13.796 -0.577 231 HB3 GLU 31 HB3 GLU 31 21.548 13.314 -2.233 232 HG2 GLU 31 HG2 GLU 31 19.530 13.919 -0.970 233 HG3 GLU 31 HG3 GLU 31 19.498 12.259 -1.559 234 H GLU 32 H GLU 32 20.074 10.369 -1.181 235 HA GLU 32 HA GLU 32 20.966 8.989 -3.627 236 HB2 GLU 32 HB2 GLU 32 19.564 8.029 -1.194 237 HB3 GLU 32 HB3 GLU 32 19.032 7.354 -2.728 238 HG2 GLU 32 HG2 GLU 32 20.638 5.846 -2.232 239 HG3 GLU 32 HG3 GLU 32 21.644 7.035 -3.057 240 H TYR 33 H TYR 33 19.300 8.424 -5.171 241 HA TYR 33 HA TYR 33 16.774 9.857 -4.962 242 HB2 TYR 33 HB2 TYR 33 18.771 10.363 -7.175 243 HB3 TYR 33 HB3 TYR 33 17.094 10.896 -7.209 244 HD1 TYR 33 HD1 TYR 33 16.318 12.643 -5.642 245 HD2 TYR 33 HD2 TYR 33 20.415 11.517 -5.873 246 HE1 TYR 33 HE1 TYR 33 16.945 14.706 -4.459 247 HE2 TYR 33 HE2 TYR 33 21.053 13.577 -4.689 248 HH TYR 33 HH TYR 33 18.658 16.039 -3.863 249 H CYS 34 H CYS 34 15.156 8.709 -5.810 250 HA CYS 34 HA CYS 34 15.666 6.145 -6.953 251 HB2 CYS 34 HB2 CYS 34 13.398 7.582 -5.880 252 HB3 CYS 34 HB3 CYS 34 12.964 6.770 -7.380 253 HG CYS 34 HG CYS 34 12.323 4.685 -6.000 254 H LEU 35 H LEU 35 16.467 6.027 -8.957 255 HA LEU 35 HA LEU 35 16.111 7.918 -10.992 256 HB2 LEU 35 HB2 LEU 35 17.762 5.869 -10.686 257 HB3 LEU 35 HB3 LEU 35 16.565 5.067 -11.701 258 HG LEU 35 HG LEU 35 18.450 5.921 -13.006 259 HD11 LEU 35 HD11 LEU 35 15.802 6.122 -13.605 260 HD12 LEU 35 HD12 LEU 35 17.121 6.415 -14.739 261 HD13 LEU 35 HD13 LEU 35 16.362 7.769 -13.900 262 HD21 LEU 35 HD21 LEU 35 17.958 8.681 -13.069 263 HD22 LEU 35 HD22 LEU 35 19.386 7.854 -12.446 264 HD23 LEU 35 HD23 LEU 35 18.048 8.240 -11.363 265 H LEU 36 H LEU 36 14.610 8.206 -12.540 266 HA LEU 36 HA LEU 36 12.409 6.252 -12.683 267 HB2 LEU 36 HB2 LEU 36 12.153 9.209 -13.172 268 HB3 LEU 36 HB3 LEU 36 10.857 8.025 -13.028 269 HG LEU 36 HG LEU 36 12.654 8.490 -10.693 270 HD11 LEU 36 HD11 LEU 36 11.678 10.684 -11.808 271 HD12 LEU 36 HD12 LEU 36 11.722 10.466 -10.059 272 HD13 LEU 36 HD13 LEU 36 10.226 10.176 -10.946 273 HD21 LEU 36 HD21 LEU 36 11.026 7.459 -9.525 274 HD22 LEU 36 HD22 LEU 36 10.575 6.822 -11.106 275 HD23 LEU 36 HD23 LEU 36 9.731 8.224 -10.446 276 H ASP 37 H ASP 37 14.069 8.831 -14.488 277 HA ASP 37 HA ASP 37 13.773 7.208 -16.917 278 HB2 ASP 37 HB2 ASP 37 12.302 9.517 -16.462 279 HB3 ASP 37 HB3 ASP 37 13.644 10.069 -17.461 280 H SER 38 H SER 38 15.706 6.805 -17.738 281 HA SER 38 HA SER 38 17.804 8.858 -17.484 282 HB2 SER 38 HB2 SER 38 19.372 6.755 -17.490 283 HB3 SER 38 HB3 SER 38 18.596 7.264 -15.991 284 HG SER 38 HG SER 38 18.464 4.914 -16.987 285 H SER 39 H SER 39 17.163 9.548 -19.606 286 HA SER 39 HA SER 39 17.467 7.707 -21.817 287 HB2 SER 39 HB2 SER 39 15.777 9.629 -21.698 288 HB3 SER 39 HB3 SER 39 17.140 10.699 -22.027 289 HG SER 39 HG SER 39 17.239 9.984 -24.028 290 H GLU 40 H GLU 40 19.181 10.513 -20.502 291 HA GLU 40 HA GLU 40 21.691 9.555 -21.468 292 HB2 GLU 40 HB2 GLU 40 20.479 10.715 -23.469 293 HB3 GLU 40 HB3 GLU 40 20.911 12.203 -22.639 294 HG2 GLU 40 HG2 GLU 40 23.143 11.943 -23.032 295 HG3 GLU 40 HG3 GLU 40 23.039 10.185 -23.109 296 H ILE 41 H ILE 41 23.484 11.020 -20.883 297 HA ILE 41 HA ILE 41 23.301 11.906 -18.255 298 HB ILE 41 HB ILE 41 25.431 11.356 -19.369 299 HG12 ILE 41 HG12 ILE 41 25.042 13.102 -17.367 300 HG13 ILE 41 HG13 ILE 41 26.643 12.688 -17.968 301 HG21 ILE 41 HG21 ILE 41 24.926 13.940 -20.827 302 HG22 ILE 41 HG22 ILE 41 26.508 13.167 -20.741 303 HG23 ILE 41 HG23 ILE 41 25.161 12.334 -21.516 304 HD11 ILE 41 HD11 ILE 41 26.031 15.162 -17.618 305 HD12 ILE 41 HD12 ILE 41 26.874 14.694 -19.095 306 HD13 ILE 41 HD13 ILE 41 25.136 14.992 -19.128 307 H HIS 42 H HIS 42 22.378 13.479 -21.161 308 HA HIS 42 HA HIS 42 22.669 16.166 -20.543 309 HB2 HIS 42 HB2 HIS 42 20.316 14.948 -21.999 310 HB3 HIS 42 HB3 HIS 42 20.914 16.598 -22.149 311 HD1 HIS 42 HD1 HIS 42 23.989 15.449 -22.256 312 HD2 HIS 42 HD2 HIS 42 20.795 14.537 -24.752 313 HE1 HIS 42 HE1 HIS 42 25.022 14.643 -24.402 314 H TRP 43 H TRP 43 19.970 13.991 -19.765 315 HA TRP 43 HA TRP 43 19.345 15.601 -17.438 316 HB2 TRP 43 HB2 TRP 43 16.977 15.890 -18.039 317 HB3 TRP 43 HB3 TRP 43 18.036 16.710 -19.184 318 HD1 TRP 43 HD1 TRP 43 18.000 15.891 -21.687 319 HE1 TRP 43 HE1 TRP 43 16.484 14.270 -22.989 320 HE3 TRP 43 HE3 TRP 43 15.624 13.662 -17.748 321 HZ2 TRP 43 HZ2 TRP 43 14.537 12.306 -22.422 322 HZ3 TRP 43 HZ3 TRP 43 13.947 11.922 -18.213 323 HH2 TRP 43 HH2 TRP 43 13.416 11.260 -20.502 324 H TRP 44 H TRP 44 18.780 14.322 -15.799 325 HA TRP 44 HA TRP 44 17.762 11.627 -16.425 326 HB2 TRP 44 HB2 TRP 44 19.991 12.496 -14.685 327 HB3 TRP 44 HB3 TRP 44 18.936 11.254 -14.014 328 HD1 TRP 44 HD1 TRP 44 19.592 11.256 -17.763 329 HE1 TRP 44 HE1 TRP 44 21.022 9.201 -18.361 330 HE3 TRP 44 HE3 TRP 44 20.729 9.658 -13.042 331 HZ2 TRP 44 HZ2 TRP 44 22.443 7.171 -17.009 332 HZ3 TRP 44 HZ3 TRP 44 22.128 7.651 -12.781 333 HH2 TRP 44 HH2 TRP 44 22.966 6.434 -14.725 334 H ARG 45 H ARG 45 15.751 11.367 -15.740 335 HA ARG 45 HA ARG 45 14.605 13.139 -13.772 336 HB2 ARG 45 HB2 ARG 45 13.633 11.352 -15.830 337 HB3 ARG 45 HB3 ARG 45 12.769 11.096 -14.320 338 HG2 ARG 45 HG2 ARG 45 13.121 13.908 -15.085 339 HG3 ARG 45 HG3 ARG 45 12.109 12.950 -16.169 340 HD2 ARG 45 HD2 ARG 45 11.101 12.146 -13.829 341 HD3 ARG 45 HD3 ARG 45 11.663 13.748 -13.352 342 HE ARG 45 HE ARG 45 10.099 13.706 -15.773 343 HH11 ARG 45 HH11 ARG 45 10.040 13.960 -12.301 344 HH12 ARG 45 HH12 ARG 45 8.516 14.781 -12.257 345 HH21 ARG 45 HH21 ARG 45 8.091 14.788 -15.728 346 HH22 ARG 45 HH22 ARG 45 7.407 15.251 -14.206 347 H VAL 46 H VAL 46 14.751 12.795 -11.664 348 HA VAL 46 HA VAL 46 14.640 10.030 -10.667 349 HB VAL 46 HB VAL 46 16.326 10.469 -9.002 350 HG11 VAL 46 HG11 VAL 46 17.766 11.544 -11.335 351 HG12 VAL 46 HG12 VAL 46 18.079 10.100 -10.372 352 HG13 VAL 46 HG13 VAL 46 16.836 10.074 -11.623 353 HG21 VAL 46 HG21 VAL 46 15.903 12.806 -8.569 354 HG22 VAL 46 HG22 VAL 46 17.600 12.592 -9.001 355 HG23 VAL 46 HG23 VAL 46 16.464 13.242 -10.183 356 H GLN 47 H GLN 47 14.090 9.931 -8.322 357 HA GLN 47 HA GLN 47 12.331 12.166 -7.553 358 HB2 GLN 47 HB2 GLN 47 10.948 10.313 -8.228 359 HB3 GLN 47 HB3 GLN 47 11.874 9.198 -7.232 360 HG2 GLN 47 HG2 GLN 47 10.844 11.355 -5.638 361 HG3 GLN 47 HG3 GLN 47 9.549 10.570 -6.540 362 HE21 GLN 47 HE21 GLN 47 8.589 9.536 -4.862 363 HE22 GLN 47 HE22 GLN 47 9.342 8.280 -3.946 364 H ASP 48 H ASP 48 12.459 12.898 -5.495 365 HA ASP 48 HA ASP 48 14.714 12.062 -3.921 366 HB2 ASP 48 HB2 ASP 48 12.563 14.133 -3.451 367 HB3 ASP 48 HB3 ASP 48 13.903 13.849 -2.343 368 H ARG 49 H ARG 49 14.078 12.168 -1.358 369 HA ARG 49 HA ARG 49 12.407 9.802 -0.998 370 HB2 ARG 49 HB2 ARG 49 14.093 11.185 1.087 371 HB3 ARG 49 HB3 ARG 49 13.460 9.545 1.130 372 HG2 ARG 49 HG2 ARG 49 14.994 9.668 -1.193 373 HG3 ARG 49 HG3 ARG 49 15.928 10.529 0.032 374 HD2 ARG 49 HD2 ARG 49 15.011 8.320 1.389 375 HD3 ARG 49 HD3 ARG 49 15.340 7.685 -0.223 376 HE ARG 49 HE ARG 49 17.585 7.984 0.148 377 HH11 ARG 49 HH11 ARG 49 15.769 9.678 2.588 378 HH12 ARG 49 HH12 ARG 49 17.159 10.039 3.558 379 HH21 ARG 49 HH21 ARG 49 19.422 8.453 1.416 380 HH22 ARG 49 HH22 ARG 49 19.236 9.342 2.890 381 H ASN 50 H ASN 50 11.482 12.695 -1.390 382 HA ASN 50 HA ASN 50 9.792 12.849 1.020 383 HB2 ASN 50 HB2 ASN 50 10.462 15.156 -0.812 384 HB3 ASN 50 HB3 ASN 50 9.691 15.228 0.770 385 HD21 ASN 50 HD21 ASN 50 12.681 14.703 -0.942 386 HD22 ASN 50 HD22 ASN 50 13.727 14.942 0.413 387 H GLY 51 H GLY 51 9.905 12.720 -2.441 388 HA2 GLY 51 HA2 GLY 51 7.896 11.711 -3.470 389 HA3 GLY 51 HA3 GLY 51 6.951 12.828 -2.496 390 H HIS 52 H HIS 52 9.902 13.911 -3.954 391 HA HIS 52 HA HIS 52 8.327 15.420 -5.937 392 HB2 HIS 52 HB2 HIS 52 10.920 16.330 -4.682 393 HB3 HIS 52 HB3 HIS 52 9.827 17.275 -5.689 394 HD1 HIS 52 HD1 HIS 52 10.602 16.537 -2.228 395 HD2 HIS 52 HD2 HIS 52 7.250 17.774 -4.350 396 HE1 HIS 52 HE1 HIS 52 9.029 17.483 -0.509 397 H GLU 53 H GLU 53 8.774 14.964 -7.982 398 HA GLU 53 HA GLU 53 11.339 13.664 -8.602 399 HB2 GLU 53 HB2 GLU 53 8.919 13.661 -10.389 400 HB3 GLU 53 HB3 GLU 53 10.294 12.566 -10.409 401 HG2 GLU 53 HG2 GLU 53 9.546 11.730 -8.172 402 HG3 GLU 53 HG3 GLU 53 8.082 12.689 -8.380 403 H GLY 54 H GLY 54 12.707 14.517 -10.086 404 HA2 GLY 54 HA2 GLY 54 11.824 16.643 -11.858 405 HA3 GLY 54 HA3 GLY 54 12.969 17.129 -10.616 406 H TYR 55 H TYR 55 14.073 17.680 -12.775 407 HA TYR 55 HA TYR 55 15.489 15.349 -13.859 408 HB2 TYR 55 HB2 TYR 55 15.244 18.180 -14.894 409 HB3 TYR 55 HB3 TYR 55 16.206 16.922 -15.661 410 HD1 TYR 55 HD1 TYR 55 12.725 17.713 -14.600 411 HD2 TYR 55 HD2 TYR 55 15.230 15.504 -17.235 412 HE1 TYR 55 HE1 TYR 55 10.743 16.975 -15.856 413 HE2 TYR 55 HE2 TYR 55 13.256 14.761 -18.499 414 HH TYR 55 HH TYR 55 11.042 15.117 -18.833 415 H VAL 56 H VAL 56 17.724 15.231 -13.900 416 HA VAL 56 HA VAL 56 19.319 17.355 -12.743 417 HB VAL 56 HB VAL 56 20.384 15.709 -11.109 418 HG11 VAL 56 HG11 VAL 56 17.542 16.462 -10.466 419 HG12 VAL 56 HG12 VAL 56 18.909 16.329 -9.358 420 HG13 VAL 56 HG13 VAL 56 18.857 17.634 -10.544 421 HG21 VAL 56 HG21 VAL 56 17.785 14.266 -11.618 422 HG22 VAL 56 HG22 VAL 56 19.408 13.663 -11.957 423 HG23 VAL 56 HG23 VAL 56 18.893 13.921 -10.290 424 HA PRO 57 HA PRO 57 22.378 15.762 -15.461 425 HB2 PRO 57 HB2 PRO 57 24.653 16.474 -14.162 426 HB3 PRO 57 HB3 PRO 57 23.609 17.642 -14.981 427 HG2 PRO 57 HG2 PRO 57 23.766 16.956 -12.071 428 HG3 PRO 57 HG3 PRO 57 23.629 18.548 -12.839 429 HD2 PRO 57 HD2 PRO 57 21.506 17.269 -11.750 430 HD3 PRO 57 HD3 PRO 57 21.357 18.338 -13.160 431 H SER 58 H SER 58 22.981 13.723 -15.783 432 HA SER 58 HA SER 58 23.174 11.823 -13.692 433 HB2 SER 58 HB2 SER 58 22.501 11.317 -16.060 434 HB3 SER 58 HB3 SER 58 24.190 11.519 -16.526 435 HG SER 58 HG SER 58 24.674 9.830 -15.001 436 H SER 59 H SER 59 25.507 13.794 -15.371 437 HA SER 59 HA SER 59 27.859 12.415 -14.801 438 HB2 SER 59 HB2 SER 59 27.422 14.590 -16.205 439 HB3 SER 59 HB3 SER 59 27.798 15.411 -14.691 440 HG SER 59 HG SER 59 29.454 13.554 -16.059 441 H TYR 60 H TYR 60 25.771 14.221 -12.731 442 HA TYR 60 HA TYR 60 27.775 14.190 -10.582 443 HB2 TYR 60 HB2 TYR 60 25.179 15.718 -10.837 444 HB3 TYR 60 HB3 TYR 60 26.216 15.752 -9.415 445 HD1 TYR 60 HD2 TYR 60 26.334 16.382 -13.092 446 HD2 TYR 60 HD1 TYR 60 27.839 17.397 -9.244 447 HE1 TYR 60 HE2 TYR 60 27.633 18.216 -14.091 448 HE2 TYR 60 HE1 TYR 60 29.141 19.236 -10.232 449 HH TYR 60 HH TYR 60 28.971 20.688 -12.336 450 H LEU 61 H LEU 61 25.986 11.954 -11.637 451 HA LEU 61 HA LEU 61 25.014 11.112 -8.999 452 HB2 LEU 61 HB2 LEU 61 23.501 11.151 -11.580 453 HB3 LEU 61 HB3 LEU 61 23.128 9.948 -10.348 454 HG LEU 61 HG LEU 61 23.100 12.889 -9.737 455 HD11 LEU 61 HD11 LEU 61 21.584 12.702 -11.555 456 HD12 LEU 61 HD12 LEU 61 20.620 12.730 -10.079 457 HD13 LEU 61 HD13 LEU 61 20.903 11.205 -10.918 458 HD21 LEU 61 HD21 LEU 61 22.599 12.166 -7.703 459 HD22 LEU 61 HD22 LEU 61 22.694 10.494 -8.256 460 HD23 LEU 61 HD23 LEU 61 21.163 11.366 -8.344 461 H VAL 62 H VAL 62 25.528 9.069 -8.466 462 HA VAL 62 HA VAL 62 26.815 7.419 -10.539 463 HB VAL 62 HB VAL 62 28.219 8.157 -8.573 464 HG11 VAL 62 HG11 VAL 62 26.098 7.522 -7.049 465 HG12 VAL 62 HG12 VAL 62 27.033 6.033 -6.903 466 HG13 VAL 62 HG13 VAL 62 27.752 7.575 -6.440 467 HG21 VAL 62 HG21 VAL 62 28.394 5.971 -10.051 468 HG22 VAL 62 HG22 VAL 62 29.476 6.253 -8.687 469 HG23 VAL 62 HG23 VAL 62 28.082 5.189 -8.501 470 H GLU 63 H GLU 63 26.136 5.367 -10.901 471 HA GLU 63 HA GLU 63 23.536 4.615 -10.138 472 HB2 GLU 63 HB2 GLU 63 25.441 3.733 -11.980 473 HB3 GLU 63 HB3 GLU 63 25.172 2.354 -10.923 474 HG2 GLU 63 HG2 GLU 63 22.655 2.899 -11.328 475 HG3 GLU 63 HG3 GLU 63 23.271 3.741 -12.748 476 H LYS 64 H LYS 64 22.894 3.983 -8.197 477 HA LYS 64 HA LYS 64 24.722 3.004 -6.220 478 HB2 LYS 64 HB2 LYS 64 22.641 4.422 -5.810 479 HB3 LYS 64 HB3 LYS 64 21.712 2.948 -6.049 480 HG2 LYS 64 HG2 LYS 64 23.933 2.888 -4.082 481 HG3 LYS 64 HG3 LYS 64 22.458 3.757 -3.652 482 HD2 LYS 64 HD2 LYS 64 21.148 1.732 -4.157 483 HD3 LYS 64 HD3 LYS 64 22.645 0.872 -4.522 484 HE2 LYS 64 HE2 LYS 64 23.395 1.459 -2.178 485 HE3 LYS 64 HE3 LYS 64 21.740 1.985 -1.876 486 HZ1 LYS 64 HZ1 LYS 64 20.939 -0.199 -2.269 487 HZ2 LYS 64 HZ2 LYS 64 22.236 -0.340 -1.192 488 HZ3 LYS 64 HZ3 LYS 64 22.445 -0.736 -2.824 489 H SER 65 H SER 65 25.573 1.044 -6.744 490 HA SER 65 HA SER 65 23.957 -1.263 -6.331 491 HB2 SER 65 HB2 SER 65 23.509 -0.570 -8.777 492 HB3 SER 65 HB3 SER 65 25.155 -1.119 -9.091 493 HG SER 65 HG SER 65 23.593 -2.771 -9.426 494 HA PRO 66 HA PRO 66 28.513 -1.572 -5.427 495 HB2 PRO 66 HB2 PRO 66 28.192 -2.343 -2.844 496 HB3 PRO 66 HB3 PRO 66 28.254 -0.647 -3.340 497 HG2 PRO 66 HG2 PRO 66 25.873 -2.358 -2.733 498 HG3 PRO 66 HG3 PRO 66 26.195 -0.679 -2.261 499 HD2 PRO 66 HD2 PRO 66 24.571 -1.325 -4.330 500 HD3 PRO 66 HD3 PRO 66 25.554 0.153 -4.313 Start of MODEL 18 1 H1 GLY 1 H GLY 1 5.417 -6.604 -0.913 2 HA2 GLY 1 HA2 GLY 1 5.540 -4.538 -1.973 3 HA3 GLY 1 HA3 GLY 1 4.996 -5.521 -3.324 4 HA PRO 2 HA PRO 2 1.016 -3.480 -1.478 5 HB2 PRO 2 HB2 PRO 2 1.394 -1.589 0.432 6 HB3 PRO 2 HB3 PRO 2 1.169 -3.302 0.807 7 HG2 PRO 2 HG2 PRO 2 3.703 -1.715 0.645 8 HG3 PRO 2 HG3 PRO 2 3.215 -2.924 1.847 9 HD2 PRO 2 HD2 PRO 2 4.907 -3.494 -0.189 10 HD3 PRO 2 HD3 PRO 2 3.783 -4.693 0.482 11 H LEU 3 H LEU 3 3.969 -1.812 -2.115 12 HA LEU 3 HA LEU 3 2.456 0.361 -3.408 13 HB2 LEU 3 HB2 LEU 3 5.232 0.539 -2.248 14 HB3 LEU 3 HB3 LEU 3 4.310 1.852 -2.978 15 HG LEU 3 HG LEU 3 3.462 0.427 -0.463 16 HD11 LEU 3 HD11 LEU 3 5.618 2.248 -0.824 17 HD12 LEU 3 HD12 LEU 3 5.000 1.546 0.671 18 HD13 LEU 3 HD13 LEU 3 4.333 3.063 0.067 19 HD21 LEU 3 HD21 LEU 3 1.563 1.486 -1.060 20 HD22 LEU 3 HD22 LEU 3 2.401 2.623 -2.118 21 HD23 LEU 3 HD23 LEU 3 2.381 2.891 -0.374 22 H GLY 4 H GLY 4 2.728 0.564 -5.537 23 HA2 GLY 4 HA2 GLY 4 4.978 -0.898 -6.773 24 HA3 GLY 4 HA3 GLY 4 3.410 -0.673 -7.534 25 H SER 5 H SER 5 5.848 1.442 -6.012 26 HA SER 5 HA SER 5 5.336 3.497 -7.981 27 HB2 SER 5 HB2 SER 5 7.653 4.046 -6.368 28 HB3 SER 5 HB3 SER 5 6.086 4.855 -6.365 29 HG SER 5 HG SER 5 5.403 3.568 -4.765 30 HA PRO 6 HA PRO 6 8.588 2.667 -10.804 31 HB2 PRO 6 HB2 PRO 6 9.522 5.152 -11.373 32 HB3 PRO 6 HB3 PRO 6 7.957 4.561 -11.943 33 HG2 PRO 6 HG2 PRO 6 8.577 6.329 -9.608 34 HG3 PRO 6 HG3 PRO 6 7.278 6.473 -10.807 35 HD2 PRO 6 HD2 PRO 6 6.872 5.450 -8.333 36 HD3 PRO 6 HD3 PRO 6 5.963 4.899 -9.755 37 H GLU 7 H GLU 7 9.838 1.615 -9.024 38 HA GLU 7 HA GLU 7 12.319 3.117 -8.527 39 HB2 GLU 7 HB2 GLU 7 12.451 1.794 -6.344 40 HB3 GLU 7 HB3 GLU 7 11.303 3.124 -6.407 41 HG2 GLU 7 HG2 GLU 7 9.497 1.760 -6.303 42 HG3 GLU 7 HG3 GLU 7 10.304 0.440 -7.147 43 H GLU 8 H GLU 8 13.615 2.148 -9.996 44 HA GLU 8 HA GLU 8 13.882 -0.782 -9.815 45 HB2 GLU 8 HB2 GLU 8 14.748 -0.590 -12.214 46 HB3 GLU 8 HB3 GLU 8 13.018 -0.398 -11.965 47 HG2 GLU 8 HG2 GLU 8 13.251 2.019 -12.092 48 HG3 GLU 8 HG3 GLU 8 14.993 1.849 -12.300 49 H THR 9 H THR 9 15.571 2.267 -10.434 50 HA THR 9 HA THR 9 18.010 1.054 -9.334 51 HB THR 9 HB THR 9 17.992 2.872 -11.750 52 HG1 THR 9 HG1 THR 9 18.101 1.101 -12.952 53 HG21 THR 9 HG21 THR 9 20.083 1.839 -9.960 54 HG22 THR 9 HG22 THR 9 20.092 3.248 -11.021 55 HG23 THR 9 HG23 THR 9 20.419 1.645 -11.679 56 H VAL 10 H VAL 10 19.375 2.459 -8.213 57 HA VAL 10 HA VAL 10 18.218 5.108 -7.631 58 HB VAL 10 HB VAL 10 19.926 3.502 -5.735 59 HG11 VAL 10 HG11 VAL 10 19.949 5.840 -5.242 60 HG12 VAL 10 HG12 VAL 10 18.196 5.948 -5.413 61 HG13 VAL 10 HG13 VAL 10 18.899 5.051 -4.066 62 HG21 VAL 10 HG21 VAL 10 17.336 3.553 -4.732 63 HG22 VAL 10 HG22 VAL 10 17.141 3.148 -6.438 64 HG23 VAL 10 HG23 VAL 10 18.178 2.159 -5.409 65 H VAL 11 H VAL 11 19.678 6.831 -7.198 66 HA VAL 11 HA VAL 11 22.441 6.380 -8.105 67 HB VAL 11 HB VAL 11 22.390 8.560 -9.268 68 HG11 VAL 11 HG11 VAL 11 22.126 6.663 -10.651 69 HG12 VAL 11 HG12 VAL 11 20.449 6.437 -10.151 70 HG13 VAL 11 HG13 VAL 11 20.891 7.812 -11.164 71 HG21 VAL 11 HG21 VAL 11 20.248 9.636 -9.744 72 HG22 VAL 11 HG22 VAL 11 19.422 8.455 -8.728 73 HG23 VAL 11 HG23 VAL 11 20.564 9.590 -8.010 74 H ILE 12 H ILE 12 24.016 7.729 -7.202 75 HA ILE 12 HA ILE 12 23.149 9.117 -4.758 76 HB ILE 12 HB ILE 12 25.996 8.351 -5.282 77 HG12 ILE 12 HG12 ILE 12 23.830 6.535 -4.204 78 HG13 ILE 12 HG13 ILE 12 24.746 6.303 -5.689 79 HG21 ILE 12 HG21 ILE 12 26.317 8.861 -3.123 80 HG22 ILE 12 HG22 ILE 12 24.780 9.714 -3.263 81 HG23 ILE 12 HG23 ILE 12 24.823 8.075 -2.614 82 HD11 ILE 12 HD11 ILE 12 25.585 4.845 -3.974 83 HD12 ILE 12 HD12 ILE 12 26.796 6.073 -4.342 84 HD13 ILE 12 HD13 ILE 12 25.819 6.208 -2.881 85 H ALA 13 H ALA 13 23.558 11.232 -4.475 86 HA ALA 13 HA ALA 13 24.432 12.790 -6.708 87 HB1 ALA 13 HB1 ALA 13 22.895 14.016 -5.596 88 HB2 ALA 13 HB2 ALA 13 23.319 13.328 -4.028 89 HB3 ALA 13 HB3 ALA 13 24.317 14.601 -4.731 90 H LEU 14 H LEU 14 26.402 13.547 -7.158 91 HA LEU 14 HA LEU 14 28.588 12.897 -5.355 92 HB2 LEU 14 HB2 LEU 14 28.799 14.221 -8.044 93 HB3 LEU 14 HB3 LEU 14 30.041 13.324 -7.172 94 HG LEU 14 HG LEU 14 27.545 11.977 -8.157 95 HD11 LEU 14 HD11 LEU 14 29.879 11.583 -9.827 96 HD12 LEU 14 HD12 LEU 14 29.326 13.257 -9.841 97 HD13 LEU 14 HD13 LEU 14 28.216 11.958 -10.277 98 HD21 LEU 14 HD21 LEU 14 28.542 10.401 -6.896 99 HD22 LEU 14 HD22 LEU 14 30.119 11.188 -6.965 100 HD23 LEU 14 HD23 LEU 14 29.568 10.196 -8.316 101 H TYR 15 H TYR 15 26.864 15.679 -6.558 102 HA TYR 15 HA TYR 15 28.213 17.347 -4.594 103 HB2 TYR 15 HB2 TYR 15 28.062 18.215 -7.485 104 HB3 TYR 15 HB3 TYR 15 28.815 19.083 -6.152 105 HD1 TYR 15 HD1 TYR 15 29.145 16.262 -8.474 106 HD2 TYR 15 HD2 TYR 15 30.996 18.442 -5.324 107 HE1 TYR 15 HE1 TYR 15 31.286 15.161 -8.978 108 HE2 TYR 15 HE2 TYR 15 33.142 17.349 -5.820 109 HH TYR 15 HH TYR 15 34.152 16.216 -8.079 110 H ASP 16 H ASP 16 27.086 19.322 -4.140 111 HA ASP 16 HA ASP 16 24.261 19.026 -4.213 112 HB2 ASP 16 HB2 ASP 16 24.266 21.319 -3.178 113 HB3 ASP 16 HB3 ASP 16 25.242 20.127 -2.323 114 H TYR 17 H TYR 17 23.694 18.934 -6.411 115 HA TYR 17 HA TYR 17 24.356 21.013 -8.246 116 HB2 TYR 17 HB2 TYR 17 23.858 18.806 -9.089 117 HB3 TYR 17 HB3 TYR 17 22.261 18.836 -8.350 118 HD1 TYR 17 HD1 TYR 17 24.331 20.677 -10.850 119 HD2 TYR 17 HD2 TYR 17 20.434 19.491 -9.621 120 HE1 TYR 17 HE1 TYR 17 23.397 21.620 -12.921 121 HE2 TYR 17 HE2 TYR 17 19.490 20.431 -11.688 122 HH TYR 17 HH TYR 17 20.027 22.042 -13.391 123 H GLN 18 H GLN 18 23.007 22.619 -9.113 124 HA GLN 18 HA GLN 18 20.532 23.192 -7.649 125 HB2 GLN 18 HB2 GLN 18 22.943 24.943 -7.889 126 HB3 GLN 18 HB3 GLN 18 21.350 25.687 -7.856 127 HG2 GLN 18 HG2 GLN 18 20.889 24.605 -5.715 128 HG3 GLN 18 HG3 GLN 18 22.489 23.865 -5.748 129 HE21 GLN 18 HE21 GLN 18 22.446 25.056 -3.613 130 HE22 GLN 18 HE22 GLN 18 23.061 26.671 -3.618 131 H THR 19 H THR 19 18.901 23.662 -8.966 132 HA THR 19 HA THR 19 19.475 24.126 -11.793 133 HB THR 19 HB THR 19 17.879 22.375 -11.386 134 HG1 THR 19 HG1 THR 19 15.936 23.522 -12.368 135 HG21 THR 19 HG21 THR 19 16.793 22.554 -9.413 136 HG22 THR 19 HG22 THR 19 15.583 23.399 -10.378 137 HG23 THR 19 HG23 THR 19 16.779 24.316 -9.463 138 H ASN 20 H ASN 20 18.174 25.725 -12.980 139 HA ASN 20 HA ASN 20 17.939 28.191 -11.418 140 HB2 ASN 20 HB2 ASN 20 18.011 29.342 -13.598 141 HB3 ASN 20 HB3 ASN 20 19.405 28.289 -13.372 142 HD21 ASN 20 HD21 ASN 20 19.891 26.979 -14.975 143 HD22 ASN 20 HD22 ASN 20 18.830 26.498 -16.251 144 H ASP 21 H ASP 21 16.071 25.898 -13.209 145 HA ASP 21 HA ASP 21 13.674 27.563 -12.797 146 HB2 ASP 21 HB2 ASP 21 14.531 25.923 -15.136 147 HB3 ASP 21 HB3 ASP 21 12.811 25.995 -14.762 148 HA PRO 22 HA PRO 22 11.867 24.324 -10.458 149 HB2 PRO 22 HB2 PRO 22 9.272 24.407 -11.251 150 HB3 PRO 22 HB3 PRO 22 10.006 25.652 -10.233 151 HG2 PRO 22 HG2 PRO 22 9.502 25.671 -13.184 152 HG3 PRO 22 HG3 PRO 22 9.248 26.964 -11.998 153 HD2 PRO 22 HD2 PRO 22 11.410 26.884 -13.626 154 HD3 PRO 22 HD3 PRO 22 11.474 27.561 -11.986 155 H GLN 23 H GLN 23 11.794 24.183 -13.894 156 HA GLN 23 HA GLN 23 10.442 21.770 -14.319 157 HB2 GLN 23 HB2 GLN 23 11.342 23.530 -16.011 158 HB3 GLN 23 HB3 GLN 23 12.816 22.572 -15.970 159 HG2 GLN 23 HG2 GLN 23 11.101 20.603 -16.415 160 HG3 GLN 23 HG3 GLN 23 10.158 21.924 -17.103 161 HE21 GLN 23 HE21 GLN 23 10.339 21.135 -19.187 162 HE22 GLN 23 HE22 GLN 23 11.817 21.203 -20.080 163 H GLU 24 H GLU 24 13.768 22.436 -13.398 164 HA GLU 24 HA GLU 24 14.300 19.545 -13.304 165 HB2 GLU 24 HB2 GLU 24 16.402 21.673 -13.019 166 HB3 GLU 24 HB3 GLU 24 16.591 20.000 -13.524 167 HG2 GLU 24 HG2 GLU 24 14.920 21.017 -15.442 168 HG3 GLU 24 HG3 GLU 24 15.988 22.375 -15.094 169 H LEU 25 H LEU 25 15.619 18.773 -11.475 170 HA LEU 25 HA LEU 25 14.812 20.129 -8.994 171 HB2 LEU 25 HB2 LEU 25 14.721 17.413 -9.854 172 HB3 LEU 25 HB3 LEU 25 15.803 17.529 -8.468 173 HG LEU 25 HG LEU 25 14.032 18.475 -7.118 174 HD11 LEU 25 HD11 LEU 25 12.456 19.659 -8.148 175 HD12 LEU 25 HD12 LEU 25 11.700 18.120 -8.563 176 HD13 LEU 25 HD13 LEU 25 12.796 18.900 -9.704 177 HD21 LEU 25 HD21 LEU 25 13.280 16.438 -6.633 178 HD22 LEU 25 HD22 LEU 25 14.142 15.868 -8.062 179 HD23 LEU 25 HD23 LEU 25 12.437 16.306 -8.177 180 H ALA 26 H ALA 26 16.357 19.646 -7.112 181 HA ALA 26 HA ALA 26 19.106 20.145 -8.044 182 HB1 ALA 26 HB1 ALA 26 18.770 22.026 -6.853 183 HB2 ALA 26 HB2 ALA 26 17.472 21.315 -5.894 184 HB3 ALA 26 HB3 ALA 26 19.154 20.986 -5.481 185 H LEU 27 H LEU 27 20.833 19.098 -7.051 186 HA LEU 27 HA LEU 27 20.094 16.651 -5.605 187 HB2 LEU 27 HB2 LEU 27 22.628 17.339 -7.086 188 HB3 LEU 27 HB3 LEU 27 22.291 15.803 -6.291 189 HG LEU 27 HG LEU 27 20.692 16.885 -8.607 190 HD11 LEU 27 HD11 LEU 27 23.113 15.122 -8.523 191 HD12 LEU 27 HD12 LEU 27 22.787 16.515 -9.553 192 HD13 LEU 27 HD13 LEU 27 21.933 14.997 -9.827 193 HD21 LEU 27 HD21 LEU 27 20.785 14.228 -7.194 194 HD22 LEU 27 HD22 LEU 27 20.013 14.473 -8.761 195 HD23 LEU 27 HD23 LEU 27 19.416 15.330 -7.339 196 H ARG 28 H ARG 28 21.508 15.915 -3.877 197 HA ARG 28 HA ARG 28 22.933 18.101 -2.517 198 HB2 ARG 28 HB2 ARG 28 20.607 17.547 -1.581 199 HB3 ARG 28 HB3 ARG 28 21.322 16.037 -1.033 200 HG2 ARG 28 HG2 ARG 28 21.440 17.451 0.817 201 HG3 ARG 28 HG3 ARG 28 23.067 17.484 0.135 202 HD2 ARG 28 HD2 ARG 28 22.734 19.721 0.438 203 HD3 ARG 28 HD3 ARG 28 22.087 19.545 -1.193 204 HE ARG 28 HE ARG 28 20.091 19.190 0.821 205 HH11 ARG 28 HH11 ARG 28 21.872 21.563 -1.000 206 HH12 ARG 28 HH12 ARG 28 20.651 22.784 -0.851 207 HH21 ARG 28 HH21 ARG 28 18.477 20.789 1.024 208 HH22 ARG 28 HH22 ARG 28 18.721 22.343 0.302 209 H ARG 29 H ARG 29 24.916 17.601 -1.814 210 HA ARG 29 HA ARG 29 26.282 15.341 -2.573 211 HB2 ARG 29 HB2 ARG 29 27.109 17.599 -1.543 212 HB3 ARG 29 HB3 ARG 29 27.023 16.724 -0.020 213 HG2 ARG 29 HG2 ARG 29 28.473 15.463 -2.286 214 HG3 ARG 29 HG3 ARG 29 29.235 16.812 -1.440 215 HD2 ARG 29 HD2 ARG 29 28.056 14.575 0.142 216 HD3 ARG 29 HD3 ARG 29 29.615 14.341 -0.647 217 HE ARG 29 HE ARG 29 29.098 15.886 1.690 218 HH11 ARG 29 HH11 ARG 29 31.115 15.688 -1.141 219 HH12 ARG 29 HH12 ARG 29 32.437 16.545 -0.419 220 HH21 ARG 29 HH21 ARG 29 30.831 17.015 2.652 221 HH22 ARG 29 HH22 ARG 29 32.274 17.298 1.739 222 H ASN 30 H ASN 30 26.617 13.334 -1.779 223 HA ASN 30 HA ASN 30 26.277 11.437 -0.572 224 HB2 ASN 30 HB2 ASN 30 26.400 13.548 1.548 225 HB3 ASN 30 HB3 ASN 30 25.957 11.904 1.999 226 HD21 ASN 30 HD21 ASN 30 28.196 13.038 3.031 227 HD22 ASN 30 HD22 ASN 30 29.602 12.283 2.371 228 H GLU 31 H GLU 31 24.114 11.967 -1.930 229 HA GLU 31 HA GLU 31 21.945 11.272 -0.097 230 HB2 GLU 31 HB2 GLU 31 21.932 13.771 -0.643 231 HB3 GLU 31 HB3 GLU 31 21.511 13.299 -2.283 232 HG2 GLU 31 HG2 GLU 31 19.467 13.771 -1.296 233 HG3 GLU 31 HG3 GLU 31 19.574 12.013 -1.220 234 H GLU 32 H GLU 32 20.297 10.026 -1.020 235 HA GLU 32 HA GLU 32 21.043 8.786 -3.574 236 HB2 GLU 32 HB2 GLU 32 19.719 7.824 -1.105 237 HB3 GLU 32 HB3 GLU 32 19.117 7.158 -2.616 238 HG2 GLU 32 HG2 GLU 32 21.077 6.074 -3.086 239 HG3 GLU 32 HG3 GLU 32 22.052 7.194 -2.136 240 H TYR 33 H TYR 33 19.478 8.391 -5.182 241 HA TYR 33 HA TYR 33 16.907 9.762 -4.898 242 HB2 TYR 33 HB2 TYR 33 18.892 10.258 -7.124 243 HB3 TYR 33 HB3 TYR 33 17.211 10.780 -7.166 244 HD1 TYR 33 HD1 TYR 33 16.422 12.543 -5.632 245 HD2 TYR 33 HD2 TYR 33 20.523 11.423 -5.809 246 HE1 TYR 33 HE1 TYR 33 17.032 14.618 -4.462 247 HE2 TYR 33 HE2 TYR 33 21.145 13.495 -4.638 248 HH TYR 33 HH TYR 33 18.787 16.003 -3.963 249 H CYS 34 H CYS 34 15.261 8.663 -5.772 250 HA CYS 34 HA CYS 34 15.745 6.081 -6.910 251 HB2 CYS 34 HB2 CYS 34 13.533 7.479 -5.731 252 HB3 CYS 34 HB3 CYS 34 13.028 6.794 -7.271 253 HG CYS 34 HG CYS 34 14.490 4.304 -6.158 254 H LEU 35 H LEU 35 16.508 5.972 -8.930 255 HA LEU 35 HA LEU 35 16.114 7.874 -10.948 256 HB2 LEU 35 HB2 LEU 35 17.771 5.823 -10.680 257 HB3 LEU 35 HB3 LEU 35 16.559 5.029 -11.684 258 HG LEU 35 HG LEU 35 18.416 5.890 -13.016 259 HD11 LEU 35 HD11 LEU 35 15.751 6.139 -13.551 260 HD12 LEU 35 HD12 LEU 35 17.052 6.399 -14.712 261 HD13 LEU 35 HD13 LEU 35 16.345 7.771 -13.859 262 HD21 LEU 35 HD21 LEU 35 18.081 8.181 -11.329 263 HD22 LEU 35 HD22 LEU 35 17.935 8.659 -13.021 264 HD23 LEU 35 HD23 LEU 35 19.379 7.812 -12.465 265 H LEU 36 H LEU 36 14.582 8.168 -12.464 266 HA LEU 36 HA LEU 36 12.377 6.215 -12.565 267 HB2 LEU 36 HB2 LEU 36 12.327 9.217 -12.676 268 HB3 LEU 36 HB3 LEU 36 10.978 8.234 -13.242 269 HG LEU 36 HG LEU 36 11.500 7.300 -10.671 270 HD11 LEU 36 HD11 LEU 36 11.104 10.132 -10.139 271 HD12 LEU 36 HD12 LEU 36 12.700 9.770 -10.796 272 HD13 LEU 36 HD13 LEU 36 12.146 8.959 -9.332 273 HD21 LEU 36 HD21 LEU 36 9.326 7.645 -11.874 274 HD22 LEU 36 HD22 LEU 36 9.440 9.354 -11.453 275 HD23 LEU 36 HD23 LEU 36 9.327 8.137 -10.181 276 H ASP 37 H ASP 37 14.017 8.774 -14.417 277 HA ASP 37 HA ASP 37 13.689 7.131 -16.826 278 HB2 ASP 37 HB2 ASP 37 12.217 9.450 -16.362 279 HB3 ASP 37 HB3 ASP 37 13.524 9.972 -17.422 280 H SER 38 H SER 38 15.636 6.710 -17.607 281 HA SER 38 HA SER 38 17.711 8.794 -17.414 282 HB2 SER 38 HB2 SER 38 19.319 6.758 -17.414 283 HB3 SER 38 HB3 SER 38 18.473 7.157 -15.919 284 HG SER 38 HG SER 38 18.343 4.929 -16.384 285 H SER 39 H SER 39 17.144 9.529 -19.508 286 HA SER 39 HA SER 39 17.374 7.697 -21.744 287 HB2 SER 39 HB2 SER 39 15.721 9.671 -21.557 288 HB3 SER 39 HB3 SER 39 17.101 10.689 -21.964 289 HG SER 39 HG SER 39 16.691 10.180 -23.951 290 H GLU 40 H GLU 40 19.098 10.537 -20.491 291 HA GLU 40 HA GLU 40 21.606 9.544 -21.442 292 HB2 GLU 40 HB2 GLU 40 20.192 10.924 -23.338 293 HB3 GLU 40 HB3 GLU 40 21.160 12.201 -22.614 294 HG2 GLU 40 HG2 GLU 40 22.961 11.536 -23.707 295 HG3 GLU 40 HG3 GLU 40 22.789 9.893 -23.093 296 H ILE 41 H ILE 41 23.406 11.008 -20.885 297 HA ILE 41 HA ILE 41 23.254 11.928 -18.273 298 HB ILE 41 HB ILE 41 25.371 11.386 -19.424 299 HG12 ILE 41 HG12 ILE 41 25.002 13.123 -17.412 300 HG13 ILE 41 HG13 ILE 41 26.597 12.730 -18.045 301 HG21 ILE 41 HG21 ILE 41 24.828 13.968 -20.871 302 HG22 ILE 41 HG22 ILE 41 26.414 13.202 -20.812 303 HG23 ILE 41 HG23 ILE 41 25.058 12.364 -21.566 304 HD11 ILE 41 HD11 ILE 41 26.788 14.742 -19.161 305 HD12 ILE 41 HD12 ILE 41 25.046 15.018 -19.173 306 HD13 ILE 41 HD13 ILE 41 25.957 15.195 -17.673 307 H HIS 42 H HIS 42 22.297 13.476 -21.188 308 HA HIS 42 HA HIS 42 22.566 16.168 -20.582 309 HB2 HIS 42 HB2 HIS 42 20.230 14.909 -22.031 310 HB3 HIS 42 HB3 HIS 42 20.785 16.574 -22.176 311 HD1 HIS 42 HD1 HIS 42 23.888 15.528 -22.301 312 HD2 HIS 42 HD2 HIS 42 20.716 14.499 -24.778 313 HE1 HIS 42 HE1 HIS 42 24.938 14.752 -24.450 314 H TRP 43 H TRP 43 19.892 13.972 -19.783 315 HA TRP 43 HA TRP 43 19.257 15.591 -17.465 316 HB2 TRP 43 HB2 TRP 43 16.884 15.846 -18.058 317 HB3 TRP 43 HB3 TRP 43 17.927 16.668 -19.216 318 HD1 TRP 43 HD1 TRP 43 17.888 15.823 -21.711 319 HE1 TRP 43 HE1 TRP 43 16.385 14.170 -22.989 320 HE3 TRP 43 HE3 TRP 43 15.560 13.605 -17.737 321 HZ2 TRP 43 HZ2 TRP 43 14.466 12.188 -22.391 322 HZ3 TRP 43 HZ3 TRP 43 13.903 11.839 -18.176 323 HH2 TRP 43 HH2 TRP 43 13.369 11.148 -20.456 324 H TRP 44 H TRP 44 18.709 14.321 -15.812 325 HA TRP 44 HA TRP 44 17.729 11.607 -16.412 326 HB2 TRP 44 HB2 TRP 44 19.949 12.522 -14.685 327 HB3 TRP 44 HB3 TRP 44 18.913 11.274 -13.998 328 HD1 TRP 44 HD1 TRP 44 19.577 11.258 -17.750 329 HE1 TRP 44 HE1 TRP 44 21.025 9.211 -18.329 330 HE3 TRP 44 HE3 TRP 44 20.702 9.693 -13.015 331 HZ2 TRP 44 HZ2 TRP 44 22.455 7.198 -16.960 332 HZ3 TRP 44 HZ3 TRP 44 22.115 7.698 -12.737 333 HH2 TRP 44 HH2 TRP 44 22.972 6.477 -14.670 334 H ARG 45 H ARG 45 15.733 11.299 -15.701 335 HA ARG 45 HA ARG 45 14.560 13.082 -13.756 336 HB2 ARG 45 HB2 ARG 45 13.613 11.264 -15.794 337 HB3 ARG 45 HB3 ARG 45 12.763 10.993 -14.279 338 HG2 ARG 45 HG2 ARG 45 13.056 13.806 -15.102 339 HG3 ARG 45 HG3 ARG 45 12.012 12.802 -16.111 340 HD2 ARG 45 HD2 ARG 45 11.012 12.049 -13.820 341 HD3 ARG 45 HD3 ARG 45 11.729 13.549 -13.232 342 HE ARG 45 HE ARG 45 10.109 13.866 -15.590 343 HH11 ARG 45 HH11 ARG 45 10.135 13.769 -12.110 344 HH12 ARG 45 HH12 ARG 45 8.683 14.700 -11.944 345 HH21 ARG 45 HH21 ARG 45 8.197 15.092 -15.384 346 HH22 ARG 45 HH22 ARG 45 7.581 15.451 -13.806 347 H VAL 46 H VAL 46 14.806 12.768 -11.651 348 HA VAL 46 HA VAL 46 14.687 10.018 -10.613 349 HB VAL 46 HB VAL 46 16.412 10.473 -8.988 350 HG11 VAL 46 HG11 VAL 46 16.884 9.926 -11.542 351 HG12 VAL 46 HG12 VAL 46 17.727 11.474 -11.453 352 HG13 VAL 46 HG13 VAL 46 18.188 10.153 -10.377 353 HG21 VAL 46 HG21 VAL 46 16.539 13.219 -10.228 354 HG22 VAL 46 HG22 VAL 46 16.032 12.819 -8.587 355 HG23 VAL 46 HG23 VAL 46 17.710 12.584 -9.073 356 H GLN 47 H GLN 47 14.237 9.983 -8.226 357 HA GLN 47 HA GLN 47 12.478 12.222 -7.469 358 HB2 GLN 47 HB2 GLN 47 11.066 10.372 -8.024 359 HB3 GLN 47 HB3 GLN 47 12.059 9.258 -7.093 360 HG2 GLN 47 HG2 GLN 47 11.249 10.018 -5.067 361 HG3 GLN 47 HG3 GLN 47 10.718 11.558 -5.742 362 HE21 GLN 47 HE21 GLN 47 8.602 11.651 -5.489 363 HE22 GLN 47 HE22 GLN 47 7.476 10.410 -5.909 364 H ASP 48 H ASP 48 12.567 12.944 -5.383 365 HA ASP 48 HA ASP 48 14.926 12.265 -3.888 366 HB2 ASP 48 HB2 ASP 48 12.647 14.145 -3.232 367 HB3 ASP 48 HB3 ASP 48 14.149 14.017 -2.321 368 H ARG 49 H ARG 49 14.354 12.341 -1.300 369 HA ARG 49 HA ARG 49 12.884 9.853 -0.890 370 HB2 ARG 49 HB2 ARG 49 13.956 9.795 1.299 371 HB3 ARG 49 HB3 ARG 49 15.153 10.038 0.034 372 HG2 ARG 49 HG2 ARG 49 14.756 12.576 0.618 373 HG3 ARG 49 HG3 ARG 49 14.229 11.895 2.158 374 HD2 ARG 49 HD2 ARG 49 16.801 10.976 0.960 375 HD3 ARG 49 HD3 ARG 49 16.740 12.544 1.763 376 HE ARG 49 HE ARG 49 16.729 9.981 3.010 377 HH11 ARG 49 HH11 ARG 49 15.569 13.249 3.315 378 HH12 ARG 49 HH12 ARG 49 15.450 13.184 5.042 379 HH21 ARG 49 HH21 ARG 49 16.576 9.882 5.284 380 HH22 ARG 49 HH22 ARG 49 16.024 11.268 6.161 381 H ASN 50 H ASN 50 11.757 12.699 -1.245 382 HA ASN 50 HA ASN 50 10.084 12.692 1.182 383 HB2 ASN 50 HB2 ASN 50 10.584 15.082 -0.595 384 HB3 ASN 50 HB3 ASN 50 9.838 15.062 1.001 385 HD21 ASN 50 HD21 ASN 50 12.835 14.687 -0.761 386 HD22 ASN 50 HD22 ASN 50 13.884 14.990 0.578 387 H GLY 51 H GLY 51 10.179 12.668 -2.284 388 HA2 GLY 51 HA2 GLY 51 8.210 11.543 -3.300 389 HA3 GLY 51 HA3 GLY 51 7.224 12.622 -2.324 390 H HIS 52 H HIS 52 10.138 13.752 -3.855 391 HA HIS 52 HA HIS 52 8.489 15.243 -5.790 392 HB2 HIS 52 HB2 HIS 52 11.093 16.180 -4.576 393 HB3 HIS 52 HB3 HIS 52 10.002 17.109 -5.599 394 HD1 HIS 52 HD1 HIS 52 10.756 16.389 -2.122 395 HD2 HIS 52 HD2 HIS 52 7.438 17.660 -4.276 396 HE1 HIS 52 HE1 HIS 52 9.184 17.368 -0.420 397 H GLU 53 H GLU 53 8.911 14.856 -7.859 398 HA GLU 53 HA GLU 53 11.473 13.577 -8.544 399 HB2 GLU 53 HB2 GLU 53 8.943 13.500 -10.186 400 HB3 GLU 53 HB3 GLU 53 10.381 12.507 -10.378 401 HG2 GLU 53 HG2 GLU 53 9.304 10.964 -9.206 402 HG3 GLU 53 HG3 GLU 53 9.604 11.978 -7.796 403 H GLY 54 H GLY 54 12.763 14.437 -10.097 404 HA2 GLY 54 HA2 GLY 54 11.787 16.520 -11.860 405 HA3 GLY 54 HA3 GLY 54 12.926 17.069 -10.640 406 H TYR 55 H TYR 55 13.964 17.625 -12.840 407 HA TYR 55 HA TYR 55 15.444 15.342 -13.928 408 HB2 TYR 55 HB2 TYR 55 15.136 18.177 -14.934 409 HB3 TYR 55 HB3 TYR 55 16.115 16.943 -15.720 410 HD1 TYR 55 HD1 TYR 55 12.635 17.735 -14.681 411 HD2 TYR 55 HD2 TYR 55 15.146 15.447 -17.243 412 HE1 TYR 55 HE1 TYR 55 10.657 16.972 -15.928 413 HE2 TYR 55 HE2 TYR 55 13.176 14.679 -18.498 414 HH TYR 55 HH TYR 55 10.787 14.416 -18.194 415 H VAL 56 H VAL 56 17.668 15.237 -13.936 416 HA VAL 56 HA VAL 56 19.243 17.393 -12.810 417 HB VAL 56 HB VAL 56 20.323 15.785 -11.152 418 HG11 VAL 56 HG11 VAL 56 18.729 17.693 -10.642 419 HG12 VAL 56 HG12 VAL 56 17.470 16.466 -10.491 420 HG13 VAL 56 HG13 VAL 56 18.869 16.433 -9.416 421 HG21 VAL 56 HG21 VAL 56 17.750 14.293 -11.654 422 HG22 VAL 56 HG22 VAL 56 19.384 13.712 -11.975 423 HG23 VAL 56 HG23 VAL 56 18.854 13.984 -10.315 424 HA PRO 57 HA PRO 57 22.324 15.797 -15.499 425 HB2 PRO 57 HB2 PRO 57 24.591 16.527 -14.196 426 HB3 PRO 57 HB3 PRO 57 23.545 17.685 -15.026 427 HG2 PRO 57 HG2 PRO 57 23.694 17.018 -12.112 428 HG3 PRO 57 HG3 PRO 57 23.553 18.605 -12.891 429 HD2 PRO 57 HD2 PRO 57 21.432 17.322 -11.801 430 HD3 PRO 57 HD3 PRO 57 21.282 18.382 -13.218 431 H SER 58 H SER 58 22.998 13.778 -15.819 432 HA SER 58 HA SER 58 23.191 11.894 -13.695 433 HB2 SER 58 HB2 SER 58 22.472 11.350 -16.039 434 HB3 SER 58 HB3 SER 58 24.149 11.553 -16.545 435 HG SER 58 HG SER 58 24.725 9.830 -15.245 436 H SER 59 H SER 59 25.476 13.877 -15.409 437 HA SER 59 HA SER 59 27.848 12.505 -14.889 438 HB2 SER 59 HB2 SER 59 28.226 14.249 -16.332 439 HB3 SER 59 HB3 SER 59 27.132 15.335 -15.476 440 HG SER 59 HG SER 59 29.725 14.546 -14.630 441 H TYR 60 H TYR 60 25.778 14.268 -12.778 442 HA TYR 60 HA TYR 60 27.829 14.291 -10.674 443 HB2 TYR 60 HB2 TYR 60 25.191 15.755 -10.875 444 HB3 TYR 60 HB3 TYR 60 26.255 15.814 -9.474 445 HD1 TYR 60 HD2 TYR 60 26.287 16.443 -13.154 446 HD2 TYR 60 HD1 TYR 60 27.837 17.502 -9.336 447 HE1 TYR 60 HE2 TYR 60 27.520 18.308 -14.178 448 HE2 TYR 60 HE1 TYR 60 29.074 19.371 -10.349 449 HH TYR 60 HH TYR 60 29.981 19.748 -13.010 450 H LEU 61 H LEU 61 25.862 12.106 -11.746 451 HA LEU 61 HA LEU 61 25.041 11.207 -9.068 452 HB2 LEU 61 HB2 LEU 61 23.471 11.260 -11.610 453 HB3 LEU 61 HB3 LEU 61 23.148 10.017 -10.403 454 HG LEU 61 HG LEU 61 23.065 12.949 -9.740 455 HD11 LEU 61 HD11 LEU 61 20.879 11.200 -10.844 456 HD12 LEU 61 HD12 LEU 61 21.481 12.724 -11.495 457 HD13 LEU 61 HD13 LEU 61 20.580 12.708 -9.980 458 HD21 LEU 61 HD21 LEU 61 22.683 10.471 -8.310 459 HD22 LEU 61 HD22 LEU 61 21.239 11.481 -8.234 460 HD23 LEU 61 HD23 LEU 61 22.792 12.120 -7.695 461 H VAL 62 H VAL 62 25.583 9.165 -8.552 462 HA VAL 62 HA VAL 62 26.849 7.537 -10.656 463 HB VAL 62 HB VAL 62 28.281 8.286 -8.713 464 HG11 VAL 62 HG11 VAL 62 26.198 7.615 -7.153 465 HG12 VAL 62 HG12 VAL 62 27.156 6.137 -7.033 466 HG13 VAL 62 HG13 VAL 62 27.863 7.687 -6.576 467 HG21 VAL 62 HG21 VAL 62 27.898 5.461 -9.574 468 HG22 VAL 62 HG22 VAL 62 29.249 6.556 -9.868 469 HG23 VAL 62 HG23 VAL 62 29.051 5.806 -8.284 470 H GLU 63 H GLU 63 26.193 5.475 -11.007 471 HA GLU 63 HA GLU 63 23.614 4.693 -10.188 472 HB2 GLU 63 HB2 GLU 63 25.455 3.861 -12.102 473 HB3 GLU 63 HB3 GLU 63 25.282 2.469 -11.042 474 HG2 GLU 63 HG2 GLU 63 22.737 2.903 -11.327 475 HG3 GLU 63 HG3 GLU 63 23.241 3.807 -12.754 476 H LYS 64 H LYS 64 23.039 4.054 -8.228 477 HA LYS 64 HA LYS 64 24.931 3.065 -6.317 478 HB2 LYS 64 HB2 LYS 64 22.850 4.473 -5.841 479 HB3 LYS 64 HB3 LYS 64 21.930 2.988 -6.043 480 HG2 LYS 64 HG2 LYS 64 24.220 2.930 -4.164 481 HG3 LYS 64 HG3 LYS 64 22.778 3.825 -3.678 482 HD2 LYS 64 HD2 LYS 64 21.424 1.801 -4.158 483 HD3 LYS 64 HD3 LYS 64 22.918 0.924 -4.499 484 HE2 LYS 64 HE2 LYS 64 23.606 1.782 -2.125 485 HE3 LYS 64 HE3 LYS 64 21.866 1.956 -1.901 486 HZ1 LYS 64 HZ1 LYS 64 22.720 -0.206 -1.152 487 HZ2 LYS 64 HZ2 LYS 64 23.217 -0.555 -2.730 488 HZ3 LYS 64 HZ3 LYS 64 21.572 -0.365 -2.385 489 H SER 65 H SER 65 25.770 1.111 -6.875 490 HA SER 65 HA SER 65 23.926 -1.066 -7.545 491 HB2 SER 65 HB2 SER 65 25.581 -1.945 -8.804 492 HB3 SER 65 HB3 SER 65 26.349 -0.366 -8.642 493 HG SER 65 HG SER 65 27.626 -2.299 -8.039 494 HA PRO 66 HA PRO 66 24.302 -3.126 -3.692 495 HB2 PRO 66 HB2 PRO 66 24.477 -5.732 -4.433 496 HB3 PRO 66 HB3 PRO 66 22.984 -4.795 -4.561 497 HG2 PRO 66 HG2 PRO 66 24.993 -5.457 -6.680 498 HG3 PRO 66 HG3 PRO 66 23.222 -5.483 -6.770 499 HD2 PRO 66 HD2 PRO 66 24.701 -3.442 -7.758 500 HD3 PRO 66 HD3 PRO 66 23.079 -3.203 -7.078 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -1.322 3.825 -4.396 2 HA2 GLY 1 HA2 GLY 1 0.024 4.661 -1.934 3 HA3 GLY 1 HA3 GLY 1 -0.453 2.975 -2.063 4 HA PRO 2 HA PRO 2 3.849 3.419 -3.746 5 HB2 PRO 2 HB2 PRO 2 4.857 1.299 -2.382 6 HB3 PRO 2 HB3 PRO 2 4.785 2.930 -1.705 7 HG2 PRO 2 HG2 PRO 2 2.940 0.615 -1.265 8 HG3 PRO 2 HG3 PRO 2 3.591 1.767 -0.085 9 HD2 PRO 2 HD2 PRO 2 1.084 1.970 -1.089 10 HD3 PRO 2 HD3 PRO 2 2.046 3.389 -0.628 11 H LEU 3 H LEU 3 3.500 2.737 -5.809 12 HA LEU 3 HA LEU 3 2.842 -0.093 -6.243 13 HB2 LEU 3 HB2 LEU 3 2.658 2.303 -8.057 14 HB3 LEU 3 HB3 LEU 3 2.380 0.647 -8.592 15 HG LEU 3 HG LEU 3 0.763 1.920 -6.398 16 HD11 LEU 3 HD11 LEU 3 0.556 3.304 -8.401 17 HD12 LEU 3 HD12 LEU 3 -0.936 2.424 -8.067 18 HD13 LEU 3 HD13 LEU 3 0.144 1.875 -9.349 19 HD21 LEU 3 HD21 LEU 3 -0.864 0.161 -7.500 20 HD22 LEU 3 HD22 LEU 3 0.321 -0.319 -6.285 21 HD23 LEU 3 HD23 LEU 3 0.654 -0.586 -7.997 22 H GLY 4 H GLY 4 3.954 -1.220 -8.000 23 HA2 GLY 4 HA2 GLY 4 6.760 -1.030 -7.761 24 HA3 GLY 4 HA3 GLY 4 5.895 -2.012 -8.935 25 H SER 5 H SER 5 7.979 0.552 -8.545 26 HA SER 5 HA SER 5 7.172 2.131 -10.801 27 HB2 SER 5 HB2 SER 5 9.455 2.141 -8.885 28 HB3 SER 5 HB3 SER 5 9.678 2.959 -10.431 29 HG SER 5 HG SER 5 7.823 3.509 -8.381 30 HA PRO 6 HA PRO 6 9.177 0.061 -14.108 31 HB2 PRO 6 HB2 PRO 6 10.184 2.119 -15.564 32 HB3 PRO 6 HB3 PRO 6 8.456 1.756 -15.481 33 HG2 PRO 6 HG2 PRO 6 10.032 3.815 -13.986 34 HG3 PRO 6 HG3 PRO 6 8.441 3.965 -14.755 35 HD2 PRO 6 HD2 PRO 6 8.743 3.601 -12.088 36 HD3 PRO 6 HD3 PRO 6 7.354 2.959 -12.988 37 H GLU 7 H GLU 7 11.035 2.171 -12.082 38 HA GLU 7 HA GLU 7 13.428 0.592 -12.668 39 HB2 GLU 7 HB2 GLU 7 13.529 2.695 -14.010 40 HB3 GLU 7 HB3 GLU 7 13.465 3.609 -12.510 41 HG2 GLU 7 HG2 GLU 7 15.714 3.578 -12.931 42 HG3 GLU 7 HG3 GLU 7 15.540 2.184 -11.866 43 H GLU 8 H GLU 8 13.912 -0.319 -10.786 44 HA GLU 8 HA GLU 8 13.427 1.161 -8.304 45 HB2 GLU 8 HB2 GLU 8 13.771 -1.035 -7.195 46 HB3 GLU 8 HB3 GLU 8 12.447 -1.042 -8.352 47 HG2 GLU 8 HG2 GLU 8 13.718 -2.244 -9.942 48 HG3 GLU 8 HG3 GLU 8 15.209 -2.004 -9.032 49 H THR 9 H THR 9 15.570 2.068 -9.808 50 HA THR 9 HA THR 9 17.920 1.040 -8.363 51 HB THR 9 HB THR 9 17.939 2.737 -10.862 52 HG1 THR 9 HG1 THR 9 17.028 0.730 -11.364 53 HG21 THR 9 HG21 THR 9 20.080 2.969 -10.184 54 HG22 THR 9 HG22 THR 9 20.263 1.333 -10.818 55 HG23 THR 9 HG23 THR 9 19.990 1.585 -9.094 56 H VAL 10 H VAL 10 19.410 2.514 -7.455 57 HA VAL 10 HA VAL 10 18.271 5.180 -6.913 58 HB VAL 10 HB VAL 10 20.210 3.734 -5.116 59 HG11 VAL 10 HG11 VAL 10 20.192 6.044 -4.655 60 HG12 VAL 10 HG12 VAL 10 18.438 6.145 -4.821 61 HG13 VAL 10 HG13 VAL 10 19.148 5.313 -3.437 62 HG21 VAL 10 HG21 VAL 10 17.369 3.251 -5.513 63 HG22 VAL 10 HG22 VAL 10 18.565 2.303 -4.628 64 HG23 VAL 10 HG23 VAL 10 17.765 3.667 -3.845 65 H VAL 11 H VAL 11 19.769 6.932 -6.632 66 HA VAL 11 HA VAL 11 22.410 6.487 -7.853 67 HB VAL 11 HB VAL 11 22.162 8.740 -8.952 68 HG11 VAL 11 HG11 VAL 11 22.002 6.699 -10.242 69 HG12 VAL 11 HG12 VAL 11 20.297 6.534 -9.820 70 HG13 VAL 11 HG13 VAL 11 20.829 7.874 -10.836 71 HG21 VAL 11 HG21 VAL 11 19.303 8.685 -9.147 72 HG22 VAL 11 HG22 VAL 11 19.784 8.791 -7.454 73 HG23 VAL 11 HG23 VAL 11 20.358 9.992 -8.610 74 H ILE 12 H ILE 12 24.083 7.729 -7.066 75 HA ILE 12 HA ILE 12 23.489 9.196 -4.592 76 HB ILE 12 HB ILE 12 26.236 8.342 -5.456 77 HG12 ILE 12 HG12 ILE 12 24.210 6.704 -3.916 78 HG13 ILE 12 HG13 ILE 12 24.847 6.334 -5.515 79 HG21 ILE 12 HG21 ILE 12 25.833 9.984 -3.573 80 HG22 ILE 12 HG22 ILE 12 25.107 8.644 -2.686 81 HG23 ILE 12 HG23 ILE 12 26.800 8.564 -3.174 82 HD11 ILE 12 HD11 ILE 12 25.881 5.626 -2.961 83 HD12 ILE 12 HD12 ILE 12 26.456 5.161 -4.562 84 HD13 ILE 12 HD13 ILE 12 27.060 6.633 -3.801 85 H ALA 13 H ALA 13 23.936 11.312 -4.379 86 HA ALA 13 HA ALA 13 24.632 12.815 -6.730 87 HB1 ALA 13 HB1 ALA 13 23.669 13.442 -4.000 88 HB2 ALA 13 HB2 ALA 13 24.555 14.706 -4.855 89 HB3 ALA 13 HB3 ALA 13 23.096 14.015 -5.566 90 H LEU 14 H LEU 14 26.591 13.472 -7.318 91 HA LEU 14 HA LEU 14 28.840 13.002 -5.534 92 HB2 LEU 14 HB2 LEU 14 29.068 14.111 -8.302 93 HB3 LEU 14 HB3 LEU 14 30.214 13.118 -7.404 94 HG LEU 14 HG LEU 14 27.617 12.169 -8.615 95 HD11 LEU 14 HD11 LEU 14 30.428 12.211 -9.545 96 HD12 LEU 14 HD12 LEU 14 28.926 12.309 -10.463 97 HD13 LEU 14 HD13 LEU 14 29.491 10.751 -9.861 98 HD21 LEU 14 HD21 LEU 14 29.049 11.111 -6.466 99 HD22 LEU 14 HD22 LEU 14 29.504 10.127 -7.858 100 HD23 LEU 14 HD23 LEU 14 27.804 10.305 -7.421 101 H TYR 15 H TYR 15 26.978 15.627 -6.804 102 HA TYR 15 HA TYR 15 28.461 17.489 -5.140 103 HB2 TYR 15 HB2 TYR 15 28.086 17.993 -8.099 104 HB3 TYR 15 HB3 TYR 15 28.781 19.120 -6.939 105 HD1 TYR 15 HD1 TYR 15 29.337 16.028 -8.835 106 HD2 TYR 15 HD2 TYR 15 31.036 18.826 -6.117 107 HE1 TYR 15 HE1 TYR 15 31.566 15.079 -9.260 108 HE2 TYR 15 HE2 TYR 15 33.270 17.885 -6.535 109 HH TYR 15 HH TYR 15 34.105 16.167 -9.027 110 H ASP 16 H ASP 16 27.319 19.443 -4.713 111 HA ASP 16 HA ASP 16 24.498 19.095 -4.572 112 HB2 ASP 16 HB2 ASP 16 24.548 21.458 -3.667 113 HB3 ASP 16 HB3 ASP 16 25.540 20.293 -2.795 114 H TYR 17 H TYR 17 23.912 18.858 -6.792 115 HA TYR 17 HA TYR 17 24.385 20.857 -8.737 116 HB2 TYR 17 HB2 TYR 17 23.840 18.648 -9.479 117 HB3 TYR 17 HB3 TYR 17 22.335 18.647 -8.567 118 HD1 TYR 17 HD1 TYR 17 24.021 20.613 -11.264 119 HD2 TYR 17 HD2 TYR 17 20.376 19.056 -9.716 120 HE1 TYR 17 HE1 TYR 17 22.829 21.454 -13.244 121 HE2 TYR 17 HE2 TYR 17 19.174 19.892 -11.692 122 HH TYR 17 HH TYR 17 20.714 20.907 -14.489 123 H GLN 18 H GLN 18 23.011 22.444 -9.571 124 HA GLN 18 HA GLN 18 20.610 23.081 -8.016 125 HB2 GLN 18 HB2 GLN 18 23.021 24.807 -8.396 126 HB3 GLN 18 HB3 GLN 18 21.436 25.564 -8.315 127 HG2 GLN 18 HG2 GLN 18 21.117 24.270 -6.143 128 HG3 GLN 18 HG3 GLN 18 22.852 23.965 -6.213 129 HE21 GLN 18 HE21 GLN 18 23.289 25.139 -4.371 130 HE22 GLN 18 HE22 GLN 18 23.186 26.863 -4.315 131 H THR 19 H THR 19 18.941 23.402 -9.318 132 HA THR 19 HA THR 19 19.385 23.784 -12.163 133 HB THR 19 HB THR 19 17.732 22.136 -11.569 134 HG1 THR 19 HG1 THR 19 17.213 23.316 -13.423 135 HG21 THR 19 HG21 THR 19 15.541 23.143 -10.511 136 HG22 THR 19 HG22 THR 19 16.667 24.330 -9.850 137 HG23 THR 19 HG23 THR 19 16.878 22.617 -9.488 138 H ASN 20 H ASN 20 18.077 25.374 -13.369 139 HA ASN 20 HA ASN 20 18.112 27.943 -11.976 140 HB2 ASN 20 HB2 ASN 20 19.220 27.449 -14.282 141 HB3 ASN 20 HB3 ASN 20 17.585 27.612 -14.914 142 HD21 ASN 20 HD21 ASN 20 17.380 29.521 -15.820 143 HD22 ASN 20 HD22 ASN 20 17.937 31.022 -15.172 144 H ASP 21 H ASP 21 15.922 25.647 -13.354 145 HA ASP 21 HA ASP 21 13.682 27.473 -12.774 146 HB2 ASP 21 HB2 ASP 21 14.169 25.664 -15.090 147 HB3 ASP 21 HB3 ASP 21 12.513 25.823 -14.511 148 HA PRO 22 HA PRO 22 12.016 24.492 -10.022 149 HB2 PRO 22 HB2 PRO 22 9.351 24.679 -10.500 150 HB3 PRO 22 HB3 PRO 22 10.267 25.939 -9.665 151 HG2 PRO 22 HG2 PRO 22 9.403 25.808 -12.528 152 HG3 PRO 22 HG3 PRO 22 9.365 27.184 -11.409 153 HD2 PRO 22 HD2 PRO 22 11.302 26.879 -13.277 154 HD3 PRO 22 HD3 PRO 22 11.603 27.649 -11.706 155 H GLN 23 H GLN 23 11.488 24.155 -13.409 156 HA GLN 23 HA GLN 23 9.977 21.809 -13.512 157 HB2 GLN 23 HB2 GLN 23 10.843 23.424 -15.400 158 HB3 GLN 23 HB3 GLN 23 12.176 22.280 -15.484 159 HG2 GLN 23 HG2 GLN 23 10.414 21.796 -17.115 160 HG3 GLN 23 HG3 GLN 23 10.658 20.476 -15.973 161 HE21 GLN 23 HE21 GLN 23 8.750 19.540 -15.736 162 HE22 GLN 23 HE22 GLN 23 7.268 20.349 -15.368 163 H GLU 24 H GLU 24 13.476 22.276 -13.241 164 HA GLU 24 HA GLU 24 13.849 19.384 -12.987 165 HB2 GLU 24 HB2 GLU 24 16.070 21.402 -12.929 166 HB3 GLU 24 HB3 GLU 24 16.120 19.720 -13.438 167 HG2 GLU 24 HG2 GLU 24 14.854 22.017 -14.910 168 HG3 GLU 24 HG3 GLU 24 16.317 21.142 -15.358 169 H LEU 25 H LEU 25 15.413 18.652 -11.283 170 HA LEU 25 HA LEU 25 14.814 20.043 -8.761 171 HB2 LEU 25 HB2 LEU 25 14.653 17.313 -9.559 172 HB3 LEU 25 HB3 LEU 25 15.864 17.454 -8.287 173 HG LEU 25 HG LEU 25 14.233 18.409 -6.782 174 HD11 LEU 25 HD11 LEU 25 11.764 18.103 -7.907 175 HD12 LEU 25 HD12 LEU 25 12.709 18.739 -9.253 176 HD13 LEU 25 HD13 LEU 25 12.624 19.633 -7.736 177 HD21 LEU 25 HD21 LEU 25 12.502 16.268 -7.594 178 HD22 LEU 25 HD22 LEU 25 13.599 16.358 -6.216 179 HD23 LEU 25 HD23 LEU 25 14.190 15.789 -7.778 180 H ALA 26 H ALA 26 16.541 19.513 -7.016 181 HA ALA 26 HA ALA 26 19.198 19.968 -8.209 182 HB1 ALA 26 HB1 ALA 26 17.735 21.417 -6.158 183 HB2 ALA 26 HB2 ALA 26 19.356 20.951 -5.641 184 HB3 ALA 26 HB3 ALA 26 19.138 21.906 -7.108 185 H LEU 27 H LEU 27 21.005 19.027 -7.193 186 HA LEU 27 HA LEU 27 20.343 16.662 -5.584 187 HB2 LEU 27 HB2 LEU 27 22.818 17.282 -7.190 188 HB3 LEU 27 HB3 LEU 27 22.518 15.790 -6.301 189 HG LEU 27 HG LEU 27 20.779 16.716 -8.578 190 HD11 LEU 27 HD11 LEU 27 22.010 15.185 -10.005 191 HD12 LEU 27 HD12 LEU 27 23.117 14.815 -8.683 192 HD13 LEU 27 HD13 LEU 27 23.080 16.437 -9.373 193 HD21 LEU 27 HD21 LEU 27 20.272 14.247 -8.629 194 HD22 LEU 27 HD22 LEU 27 19.666 15.123 -7.224 195 HD23 LEU 27 HD23 LEU 27 21.114 14.125 -7.084 196 H ARG 28 H ARG 28 21.909 16.015 -3.914 197 HA ARG 28 HA ARG 28 23.318 18.301 -2.714 198 HB2 ARG 28 HB2 ARG 28 21.053 17.751 -1.645 199 HB3 ARG 28 HB3 ARG 28 21.817 16.276 -1.067 200 HG2 ARG 28 HG2 ARG 28 22.033 17.725 0.723 201 HG3 ARG 28 HG3 ARG 28 23.602 17.842 -0.077 202 HD2 ARG 28 HD2 ARG 28 23.055 20.062 0.327 203 HD3 ARG 28 HD3 ARG 28 22.551 19.828 -1.346 204 HE ARG 28 HE ARG 28 20.373 20.143 -0.702 205 HH11 ARG 28 HH11 ARG 28 22.345 19.615 2.118 206 HH12 ARG 28 HH12 ARG 28 21.085 20.020 3.236 207 HH21 ARG 28 HH21 ARG 28 18.706 20.679 0.759 208 HH22 ARG 28 HH22 ARG 28 19.015 20.625 2.462 209 H ARG 29 H ARG 29 25.338 17.879 -2.063 210 HA ARG 29 HA ARG 29 26.715 15.601 -2.776 211 HB2 ARG 29 HB2 ARG 29 27.538 17.940 -1.921 212 HB3 ARG 29 HB3 ARG 29 27.569 17.141 -0.354 213 HG2 ARG 29 HG2 ARG 29 29.051 15.403 -1.338 214 HG3 ARG 29 HG3 ARG 29 29.106 16.360 -2.820 215 HD2 ARG 29 HD2 ARG 29 31.054 16.762 -1.373 216 HD3 ARG 29 HD3 ARG 29 30.092 18.218 -1.624 217 HE ARG 29 HE ARG 29 29.205 16.982 0.719 218 HH11 ARG 29 HH11 ARG 29 32.039 18.587 -0.511 219 HH12 ARG 29 HH12 ARG 29 32.540 19.172 1.041 220 HH21 ARG 29 HH21 ARG 29 29.855 17.746 2.767 221 HH22 ARG 29 HH22 ARG 29 31.298 18.692 2.905 222 H ASN 30 H ASN 30 26.997 13.622 -1.947 223 HA ASN 30 HA ASN 30 26.801 11.806 -0.591 224 HB2 ASN 30 HB2 ASN 30 27.977 13.562 0.977 225 HB3 ASN 30 HB3 ASN 30 26.428 13.548 1.815 226 HD21 ASN 30 HD21 ASN 30 29.268 12.501 2.333 227 HD22 ASN 30 HD22 ASN 30 28.997 10.896 2.910 228 H GLU 31 H GLU 31 24.552 12.293 -1.862 229 HA GLU 31 HA GLU 31 22.504 11.610 0.103 230 HB2 GLU 31 HB2 GLU 31 22.517 14.139 -0.575 231 HB3 GLU 31 HB3 GLU 31 21.784 13.552 -2.061 232 HG2 GLU 31 HG2 GLU 31 19.829 13.004 -1.052 233 HG3 GLU 31 HG3 GLU 31 20.600 12.629 0.489 234 H GLU 32 H GLU 32 20.865 10.293 -0.684 235 HA GLU 32 HA GLU 32 21.432 9.089 -3.298 236 HB2 GLU 32 HB2 GLU 32 20.278 8.097 -0.749 237 HB3 GLU 32 HB3 GLU 32 19.635 7.404 -2.232 238 HG2 GLU 32 HG2 GLU 32 21.317 5.943 -1.901 239 HG3 GLU 32 HG3 GLU 32 22.231 7.174 -2.772 240 H TYR 33 H TYR 33 19.731 8.613 -4.762 241 HA TYR 33 HA TYR 33 17.183 9.977 -4.298 242 HB2 TYR 33 HB2 TYR 33 18.999 10.449 -6.665 243 HB3 TYR 33 HB3 TYR 33 17.302 10.916 -6.634 244 HD1 TYR 33 HD1 TYR 33 16.534 12.661 -5.034 245 HD2 TYR 33 HD2 TYR 33 20.657 11.750 -5.557 246 HE1 TYR 33 HE1 TYR 33 17.134 14.792 -3.963 247 HE2 TYR 33 HE2 TYR 33 21.269 13.878 -4.487 248 HH TYR 33 HH TYR 33 20.130 15.483 -2.796 249 H CYS 34 H CYS 34 15.488 8.820 -4.969 250 HA CYS 34 HA CYS 34 15.869 6.215 -6.048 251 HB2 CYS 34 HB2 CYS 34 13.385 7.859 -5.547 252 HB3 CYS 34 HB3 CYS 34 13.342 6.203 -6.141 253 HG CYS 34 HG CYS 34 14.730 7.126 -3.152 254 H LEU 35 H LEU 35 16.553 6.007 -8.091 255 HA LEU 35 HA LEU 35 16.040 7.820 -10.179 256 HB2 LEU 35 HB2 LEU 35 17.791 5.864 -9.887 257 HB3 LEU 35 HB3 LEU 35 16.570 4.952 -10.773 258 HG LEU 35 HG LEU 35 18.320 5.807 -12.250 259 HD11 LEU 35 HD11 LEU 35 16.862 6.161 -13.914 260 HD12 LEU 35 HD12 LEU 35 16.088 7.512 -13.086 261 HD13 LEU 35 HD13 LEU 35 15.638 5.856 -12.681 262 HD21 LEU 35 HD21 LEU 35 19.187 7.828 -11.967 263 HD22 LEU 35 HD22 LEU 35 18.025 8.152 -10.681 264 HD23 LEU 35 HD23 LEU 35 17.629 8.560 -12.351 265 H LEU 36 H LEU 36 14.429 8.003 -11.623 266 HA LEU 36 HA LEU 36 12.302 5.964 -11.559 267 HB2 LEU 36 HB2 LEU 36 11.944 8.895 -12.147 268 HB3 LEU 36 HB3 LEU 36 10.679 7.684 -11.943 269 HG LEU 36 HG LEU 36 12.495 8.148 -9.644 270 HD11 LEU 36 HD11 LEU 36 10.205 10.005 -9.867 271 HD12 LEU 36 HD12 LEU 36 11.640 10.387 -10.818 272 HD13 LEU 36 HD13 LEU 36 11.764 10.211 -9.068 273 HD21 LEU 36 HD21 LEU 36 10.258 6.664 -10.054 274 HD22 LEU 36 HD22 LEU 36 9.576 8.127 -9.344 275 HD23 LEU 36 HD23 LEU 36 10.816 7.221 -8.476 276 H ASP 37 H ASP 37 13.803 8.477 -13.579 277 HA ASP 37 HA ASP 37 13.369 6.741 -15.909 278 HB2 ASP 37 HB2 ASP 37 12.058 9.200 -15.451 279 HB3 ASP 37 HB3 ASP 37 13.264 9.504 -16.698 280 H SER 38 H SER 38 15.264 6.247 -16.770 281 HA SER 38 HA SER 38 17.423 8.251 -16.667 282 HB2 SER 38 HB2 SER 38 18.898 6.080 -16.847 283 HB3 SER 38 HB3 SER 38 18.260 6.589 -15.283 284 HG SER 38 HG SER 38 17.972 4.291 -15.979 285 H SER 39 H SER 39 16.454 8.948 -18.735 286 HA SER 39 HA SER 39 16.601 7.203 -21.005 287 HB2 SER 39 HB2 SER 39 14.971 9.054 -20.890 288 HB3 SER 39 HB3 SER 39 16.298 10.215 -20.899 289 HG SER 39 HG SER 39 15.147 9.522 -22.983 290 H GLU 40 H GLU 40 18.442 10.085 -19.997 291 HA GLU 40 HA GLU 40 20.893 8.969 -20.982 292 HB2 GLU 40 HB2 GLU 40 19.376 10.321 -22.862 293 HB3 GLU 40 HB3 GLU 40 20.510 11.543 -22.304 294 HG2 GLU 40 HG2 GLU 40 22.097 10.676 -23.567 295 HG3 GLU 40 HG3 GLU 40 21.944 9.131 -22.731 296 H ILE 41 H ILE 41 22.736 10.488 -20.664 297 HA ILE 41 HA ILE 41 22.766 11.540 -18.098 298 HB ILE 41 HB ILE 41 24.791 10.949 -19.408 299 HG12 ILE 41 HG12 ILE 41 24.575 12.703 -17.398 300 HG13 ILE 41 HG13 ILE 41 26.118 12.324 -18.155 301 HG21 ILE 41 HG21 ILE 41 24.308 11.896 -21.535 302 HG22 ILE 41 HG22 ILE 41 24.140 13.510 -20.847 303 HG23 ILE 41 HG23 ILE 41 25.724 12.737 -20.902 304 HD11 ILE 41 HD11 ILE 41 26.207 14.331 -19.278 305 HD12 ILE 41 HD12 ILE 41 24.462 14.575 -19.195 306 HD13 ILE 41 HD13 ILE 41 25.452 14.789 -17.751 307 H HIS 42 H HIS 42 21.620 12.943 -21.027 308 HA HIS 42 HA HIS 42 21.893 15.662 -20.547 309 HB2 HIS 42 HB2 HIS 42 19.506 14.322 -21.831 310 HB3 HIS 42 HB3 HIS 42 20.033 15.985 -22.068 311 HD1 HIS 42 HD1 HIS 42 23.143 14.868 -22.259 312 HD2 HIS 42 HD2 HIS 42 19.862 13.906 -24.620 313 HE1 HIS 42 HE1 HIS 42 24.098 14.042 -24.434 314 H TRP 43 H TRP 43 19.277 13.480 -19.539 315 HA TRP 43 HA TRP 43 18.735 15.192 -17.261 316 HB2 TRP 43 HB2 TRP 43 16.337 15.397 -17.749 317 HB3 TRP 43 HB3 TRP 43 17.309 16.167 -19.000 318 HD1 TRP 43 HD1 TRP 43 17.150 15.199 -21.443 319 HE1 TRP 43 HE1 TRP 43 15.605 13.467 -22.556 320 HE3 TRP 43 HE3 TRP 43 15.063 13.158 -17.247 321 HZ2 TRP 43 HZ2 TRP 43 13.747 11.497 -21.761 322 HZ3 TRP 43 HZ3 TRP 43 13.410 11.354 -17.509 323 HH2 TRP 43 HH2 TRP 43 12.767 10.543 -19.721 324 H TRP 44 H TRP 44 18.298 13.987 -15.530 325 HA TRP 44 HA TRP 44 17.316 11.241 -15.958 326 HB2 TRP 44 HB2 TRP 44 19.629 12.242 -14.417 327 HB3 TRP 44 HB3 TRP 44 18.642 11.034 -13.598 328 HD1 TRP 44 HD1 TRP 44 18.992 10.757 -17.368 329 HE1 TRP 44 HE1 TRP 44 20.435 8.701 -17.929 330 HE3 TRP 44 HE3 TRP 44 20.599 9.584 -12.659 331 HZ2 TRP 44 HZ2 TRP 44 22.042 6.829 -16.557 332 HZ3 TRP 44 HZ3 TRP 44 22.087 7.646 -12.369 333 HH2 TRP 44 HH2 TRP 44 22.791 6.297 -14.279 334 H ARG 45 H ARG 45 15.379 10.925 -15.102 335 HA ARG 45 HA ARG 45 14.287 12.791 -13.188 336 HB2 ARG 45 HB2 ARG 45 13.242 11.031 -15.142 337 HB3 ARG 45 HB3 ARG 45 12.607 10.501 -13.590 338 HG2 ARG 45 HG2 ARG 45 12.179 13.132 -13.357 339 HG3 ARG 45 HG3 ARG 45 12.084 12.972 -15.112 340 HD2 ARG 45 HD2 ARG 45 10.083 12.000 -14.996 341 HD3 ARG 45 HD3 ARG 45 10.639 10.855 -13.776 342 HE ARG 45 HE ARG 45 10.262 13.320 -12.528 343 HH11 ARG 45 HH11 ARG 45 8.377 10.862 -14.117 344 HH12 ARG 45 HH12 ARG 45 6.944 11.184 -13.198 345 HH21 ARG 45 HH21 ARG 45 8.382 13.753 -11.312 346 HH22 ARG 45 HH22 ARG 45 6.947 12.829 -11.603 347 H VAL 46 H VAL 46 14.542 12.593 -11.072 348 HA VAL 46 HA VAL 46 14.610 9.902 -9.893 349 HB VAL 46 HB VAL 46 16.381 10.510 -8.371 350 HG11 VAL 46 HG11 VAL 46 18.064 10.100 -9.819 351 HG12 VAL 46 HG12 VAL 46 16.740 9.914 -10.971 352 HG13 VAL 46 HG13 VAL 46 17.623 11.438 -10.879 353 HG21 VAL 46 HG21 VAL 46 15.932 12.853 -8.071 354 HG22 VAL 46 HG22 VAL 46 17.592 12.663 -8.635 355 HG23 VAL 46 HG23 VAL 46 16.335 13.189 -9.754 356 H GLN 47 H GLN 47 14.360 10.047 -7.440 357 HA GLN 47 HA GLN 47 12.563 12.258 -6.710 358 HB2 GLN 47 HB2 GLN 47 11.116 10.416 -7.190 359 HB3 GLN 47 HB3 GLN 47 12.129 9.305 -6.277 360 HG2 GLN 47 HG2 GLN 47 11.445 10.194 -4.220 361 HG3 GLN 47 HG3 GLN 47 10.764 11.634 -4.975 362 HE21 GLN 47 HE21 GLN 47 9.238 10.296 -3.226 363 HE22 GLN 47 HE22 GLN 47 7.971 9.446 -4.036 364 H ASP 48 H ASP 48 12.680 12.979 -4.613 365 HA ASP 48 HA ASP 48 15.088 12.294 -3.182 366 HB2 ASP 48 HB2 ASP 48 12.915 14.172 -2.254 367 HB3 ASP 48 HB3 ASP 48 14.614 14.167 -1.790 368 H ARG 49 H ARG 49 14.629 12.403 -0.594 369 HA ARG 49 HA ARG 49 13.071 9.988 -0.088 370 HB2 ARG 49 HB2 ARG 49 14.223 9.924 2.064 371 HB3 ARG 49 HB3 ARG 49 15.376 10.082 0.746 372 HG2 ARG 49 HG2 ARG 49 15.141 12.644 1.279 373 HG3 ARG 49 HG3 ARG 49 14.621 12.037 2.852 374 HD2 ARG 49 HD2 ARG 49 17.121 10.998 1.579 375 HD3 ARG 49 HD3 ARG 49 17.135 12.538 2.437 376 HE ARG 49 HE ARG 49 15.944 10.713 4.134 377 HH11 ARG 49 HH11 ARG 49 19.026 11.112 2.566 378 HH12 ARG 49 HH12 ARG 49 19.913 10.302 3.814 379 HH21 ARG 49 HH21 ARG 49 17.100 9.644 5.784 380 HH22 ARG 49 HH22 ARG 49 18.816 9.466 5.644 381 H ASN 50 H ASN 50 12.051 12.877 -0.439 382 HA ASN 50 HA ASN 50 10.475 12.969 2.050 383 HB2 ASN 50 HB2 ASN 50 10.994 15.317 0.223 384 HB3 ASN 50 HB3 ASN 50 10.325 15.344 1.852 385 HD21 ASN 50 HD21 ASN 50 13.220 14.784 -0.038 386 HD22 ASN 50 HD22 ASN 50 14.342 15.075 1.243 387 H GLY 51 H GLY 51 10.433 12.896 -1.416 388 HA2 GLY 51 HA2 GLY 51 8.372 11.837 -2.326 389 HA3 GLY 51 HA3 GLY 51 7.479 12.987 -1.343 390 H HIS 52 H HIS 52 10.386 13.914 -3.024 391 HA HIS 52 HA HIS 52 8.739 15.457 -4.921 392 HB2 HIS 52 HB2 HIS 52 11.453 16.262 -3.861 393 HB3 HIS 52 HB3 HIS 52 10.362 17.233 -4.844 394 HD1 HIS 52 HD1 HIS 52 11.229 16.476 -1.386 395 HD2 HIS 52 HD2 HIS 52 7.945 18.020 -3.409 396 HE1 HIS 52 HE1 HIS 52 9.820 17.593 0.372 397 H GLU 53 H GLU 53 9.028 14.976 -6.991 398 HA GLU 53 HA GLU 53 11.517 13.606 -7.773 399 HB2 GLU 53 HB2 GLU 53 8.900 13.421 -9.253 400 HB3 GLU 53 HB3 GLU 53 10.311 12.384 -9.408 401 HG2 GLU 53 HG2 GLU 53 9.284 10.979 -8.039 402 HG3 GLU 53 HG3 GLU 53 9.607 12.138 -6.750 403 H GLY 54 H GLY 54 12.691 14.383 -9.451 404 HA2 GLY 54 HA2 GLY 54 11.567 16.339 -11.273 405 HA3 GLY 54 HA3 GLY 54 12.789 16.969 -10.178 406 H TYR 55 H TYR 55 13.736 17.414 -12.404 407 HA TYR 55 HA TYR 55 15.127 15.061 -13.474 408 HB2 TYR 55 HB2 TYR 55 14.698 17.817 -14.640 409 HB3 TYR 55 HB3 TYR 55 15.660 16.558 -15.406 410 HD1 TYR 55 HD1 TYR 55 12.229 17.256 -14.134 411 HD2 TYR 55 HD2 TYR 55 14.642 15.023 -16.835 412 HE1 TYR 55 HE1 TYR 55 10.200 16.367 -15.202 413 HE2 TYR 55 HE2 TYR 55 12.619 14.129 -17.911 414 HH TYR 55 HH TYR 55 10.394 14.252 -18.038 415 H VAL 56 H VAL 56 17.351 14.986 -13.657 416 HA VAL 56 HA VAL 56 18.969 17.220 -12.773 417 HB VAL 56 HB VAL 56 20.194 15.716 -11.113 418 HG11 VAL 56 HG11 VAL 56 18.864 16.455 -9.310 419 HG12 VAL 56 HG12 VAL 56 18.632 17.646 -10.591 420 HG13 VAL 56 HG13 VAL 56 17.394 16.429 -10.282 421 HG21 VAL 56 HG21 VAL 56 17.599 14.191 -11.315 422 HG22 VAL 56 HG22 VAL 56 19.202 13.597 -11.748 423 HG23 VAL 56 HG23 VAL 56 18.821 13.958 -10.065 424 HA PRO 57 HA PRO 57 21.835 15.501 -15.622 425 HB2 PRO 57 HB2 PRO 57 24.176 16.424 -14.603 426 HB3 PRO 57 HB3 PRO 57 23.010 17.466 -15.429 427 HG2 PRO 57 HG2 PRO 57 23.448 17.068 -12.494 428 HG3 PRO 57 HG3 PRO 57 23.169 18.573 -13.390 429 HD2 PRO 57 HD2 PRO 57 21.211 17.319 -12.003 430 HD3 PRO 57 HD3 PRO 57 20.890 18.241 -13.485 431 H SER 58 H SER 58 22.418 13.436 -15.776 432 HA SER 58 HA SER 58 22.907 11.767 -13.557 433 HB2 SER 58 HB2 SER 58 22.078 11.056 -15.849 434 HB3 SER 58 HB3 SER 58 23.747 11.191 -16.402 435 HG SER 58 HG SER 58 24.087 9.306 -15.566 436 H SER 59 H SER 59 24.961 13.803 -15.427 437 HA SER 59 HA SER 59 27.439 12.578 -15.122 438 HB2 SER 59 HB2 SER 59 27.025 14.579 -16.530 439 HB3 SER 59 HB3 SER 59 26.867 15.551 -15.068 440 HG SER 59 HG SER 59 29.078 14.933 -16.367 441 H TYR 60 H TYR 60 25.451 14.192 -12.802 442 HA TYR 60 HA TYR 60 27.639 14.113 -10.833 443 HB2 TYR 60 HB2 TYR 60 25.049 15.668 -10.679 444 HB3 TYR 60 HB3 TYR 60 26.396 15.760 -9.550 445 HD1 TYR 60 HD2 TYR 60 25.410 16.456 -13.058 446 HD2 TYR 60 HD1 TYR 60 28.195 17.229 -9.935 447 HE1 TYR 60 HE2 TYR 60 26.400 18.266 -14.397 448 HE2 TYR 60 HE1 TYR 60 29.192 19.042 -11.266 449 HH TYR 60 HH TYR 60 28.826 20.415 -13.073 450 H LEU 61 H LEU 61 25.638 11.992 -11.808 451 HA LEU 61 HA LEU 61 24.818 11.138 -9.116 452 HB2 LEU 61 HB2 LEU 61 23.217 11.170 -11.645 453 HB3 LEU 61 HB3 LEU 61 22.871 9.992 -10.381 454 HG LEU 61 HG LEU 61 22.808 12.985 -10.000 455 HD11 LEU 61 HD11 LEU 61 20.582 11.013 -10.484 456 HD12 LEU 61 HD12 LEU 61 21.049 12.369 -11.510 457 HD13 LEU 61 HD13 LEU 61 20.349 12.668 -9.920 458 HD21 LEU 61 HD21 LEU 61 21.436 12.186 -7.967 459 HD22 LEU 61 HD22 LEU 61 23.195 12.068 -7.900 460 HD23 LEU 61 HD23 LEU 61 22.226 10.633 -8.239 461 H VAL 62 H VAL 62 25.344 9.098 -8.590 462 HA VAL 62 HA VAL 62 26.369 7.354 -10.736 463 HB VAL 62 HB VAL 62 27.363 7.606 -7.895 464 HG11 VAL 62 HG11 VAL 62 29.135 5.971 -9.128 465 HG12 VAL 62 HG12 VAL 62 27.797 5.409 -8.123 466 HG13 VAL 62 HG13 VAL 62 27.626 5.452 -9.878 467 HG21 VAL 62 HG21 VAL 62 28.825 8.056 -10.492 468 HG22 VAL 62 HG22 VAL 62 28.095 9.344 -9.534 469 HG23 VAL 62 HG23 VAL 62 29.411 8.382 -8.861 470 H GLU 63 H GLU 63 25.353 5.476 -10.971 471 HA GLU 63 HA GLU 63 23.098 4.735 -9.527 472 HB2 GLU 63 HB2 GLU 63 24.907 3.345 -11.442 473 HB3 GLU 63 HB3 GLU 63 23.776 2.363 -10.523 474 HG2 GLU 63 HG2 GLU 63 21.943 3.248 -11.557 475 HG3 GLU 63 HG3 GLU 63 22.745 4.777 -11.913 476 H LYS 64 H LYS 64 22.946 4.148 -7.475 477 HA LYS 64 HA LYS 64 25.191 3.194 -5.979 478 HB2 LYS 64 HB2 LYS 64 23.193 4.609 -5.155 479 HB3 LYS 64 HB3 LYS 64 22.334 3.078 -5.046 480 HG2 LYS 64 HG2 LYS 64 24.995 3.350 -3.732 481 HG3 LYS 64 HG3 LYS 64 23.571 4.063 -2.971 482 HD2 LYS 64 HD2 LYS 64 23.300 2.032 -2.053 483 HD3 LYS 64 HD3 LYS 64 22.660 1.579 -3.634 484 HE2 LYS 64 HE2 LYS 64 24.439 0.297 -4.115 485 HE3 LYS 64 HE3 LYS 64 25.579 1.463 -3.447 486 HZ1 LYS 64 HZ1 LYS 64 24.872 0.670 -1.206 487 HZ2 LYS 64 HZ2 LYS 64 25.695 -0.484 -2.129 488 HZ3 LYS 64 HZ3 LYS 64 24.013 -0.573 -1.966 489 H SER 65 H SER 65 25.923 1.214 -6.517 490 HA SER 65 HA SER 65 23.986 -1.005 -6.414 491 HB2 SER 65 HB2 SER 65 24.780 -1.908 -8.333 492 HB3 SER 65 HB3 SER 65 25.381 -0.280 -8.650 493 HG SER 65 HG SER 65 26.919 -2.138 -8.770 494 HA PRO 66 HA PRO 66 26.439 -2.928 -3.328 495 HB2 PRO 66 HB2 PRO 66 26.301 -5.550 -4.018 496 HB3 PRO 66 HB3 PRO 66 24.931 -4.661 -3.343 497 HG2 PRO 66 HG2 PRO 66 25.531 -5.333 -6.198 498 HG3 PRO 66 HG3 PRO 66 23.987 -5.413 -5.330 499 HD2 PRO 66 HD2 PRO 66 24.627 -3.363 -6.979 500 HD3 PRO 66 HD3 PRO 66 23.607 -3.150 -5.542 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -2.337 -6.929 -5.588 2 HA2 GLY 1 HA2 GLY 1 -0.817 -8.068 -3.325 3 HA3 GLY 1 HA3 GLY 1 -0.400 -8.325 -5.013 4 HA PRO 2 HA PRO 2 2.008 -4.717 -3.178 5 HB2 PRO 2 HB2 PRO 2 4.476 -5.810 -3.473 6 HB3 PRO 2 HB3 PRO 2 3.496 -6.030 -2.019 7 HG2 PRO 2 HG2 PRO 2 3.878 -7.878 -4.342 8 HG3 PRO 2 HG3 PRO 2 3.848 -8.251 -2.609 9 HD2 PRO 2 HD2 PRO 2 1.717 -8.669 -4.226 10 HD3 PRO 2 HD3 PRO 2 1.546 -8.227 -2.515 11 H LEU 3 H LEU 3 2.316 -3.150 -4.619 12 HA LEU 3 HA LEU 3 3.509 -3.834 -7.222 13 HB2 LEU 3 HB2 LEU 3 2.067 -1.800 -8.008 14 HB3 LEU 3 HB3 LEU 3 1.373 -3.418 -7.912 15 HG LEU 3 HG LEU 3 0.422 -2.788 -5.685 16 HD11 LEU 3 HD11 LEU 3 1.637 -0.162 -6.450 17 HD12 LEU 3 HD12 LEU 3 1.702 -1.014 -4.908 18 HD13 LEU 3 HD13 LEU 3 0.206 -0.233 -5.421 19 HD21 LEU 3 HD21 LEU 3 -0.376 -1.867 -8.318 20 HD22 LEU 3 HD22 LEU 3 -1.025 -0.853 -7.029 21 HD23 LEU 3 HD23 LEU 3 -1.342 -2.588 -7.031 22 H GLY 4 H GLY 4 4.557 -1.992 -8.310 23 HA2 GLY 4 HA2 GLY 4 5.226 0.314 -6.692 24 HA3 GLY 4 HA3 GLY 4 6.555 -0.810 -6.938 25 H SER 5 H SER 5 7.352 1.339 -7.890 26 HA SER 5 HA SER 5 6.347 2.021 -10.498 27 HB2 SER 5 HB2 SER 5 8.981 3.078 -9.986 28 HB3 SER 5 HB3 SER 5 7.447 3.937 -10.121 29 HG SER 5 HG SER 5 7.525 4.195 -8.049 30 HA PRO 6 HA PRO 6 8.824 -0.538 -13.058 31 HB2 PRO 6 HB2 PRO 6 9.512 1.141 -15.078 32 HB3 PRO 6 HB3 PRO 6 7.873 0.512 -14.867 33 HG2 PRO 6 HG2 PRO 6 8.996 3.173 -14.080 34 HG3 PRO 6 HG3 PRO 6 7.437 2.796 -14.837 35 HD2 PRO 6 HD2 PRO 6 7.687 3.303 -12.189 36 HD3 PRO 6 HD3 PRO 6 6.473 2.181 -12.836 37 H GLU 7 H GLU 7 10.189 2.337 -11.721 38 HA GLU 7 HA GLU 7 12.892 1.264 -12.197 39 HB2 GLU 7 HB2 GLU 7 11.898 4.099 -12.241 40 HB3 GLU 7 HB3 GLU 7 13.585 3.742 -11.895 41 HG2 GLU 7 HG2 GLU 7 12.073 3.035 -14.398 42 HG3 GLU 7 HG3 GLU 7 13.320 4.268 -14.226 43 H GLU 8 H GLU 8 13.311 0.251 -10.311 44 HA GLU 8 HA GLU 8 12.819 1.715 -7.809 45 HB2 GLU 8 HB2 GLU 8 13.180 -0.526 -6.726 46 HB3 GLU 8 HB3 GLU 8 11.767 -0.424 -7.767 47 HG2 GLU 8 HG2 GLU 8 12.690 -1.776 -9.385 48 HG3 GLU 8 HG3 GLU 8 14.343 -1.435 -8.875 49 H THR 9 H THR 9 14.983 2.502 -9.399 50 HA THR 9 HA THR 9 17.304 1.451 -7.921 51 HB THR 9 HB THR 9 17.366 2.999 -10.516 52 HG1 THR 9 HG1 THR 9 17.351 1.096 -11.555 53 HG21 THR 9 HG21 THR 9 19.389 1.903 -8.688 54 HG22 THR 9 HG22 THR 9 19.521 3.193 -9.882 55 HG23 THR 9 HG23 THR 9 19.640 1.508 -10.387 56 H VAL 10 H VAL 10 18.860 2.914 -7.110 57 HA VAL 10 HA VAL 10 17.852 5.662 -6.746 58 HB VAL 10 HB VAL 10 19.657 4.237 -4.801 59 HG11 VAL 10 HG11 VAL 10 18.674 5.968 -3.255 60 HG12 VAL 10 HG12 VAL 10 19.724 6.593 -4.529 61 HG13 VAL 10 HG13 VAL 10 17.972 6.728 -4.683 62 HG21 VAL 10 HG21 VAL 10 17.926 2.919 -4.289 63 HG22 VAL 10 HG22 VAL 10 17.188 4.363 -3.596 64 HG23 VAL 10 HG23 VAL 10 16.800 3.881 -5.247 65 H VAL 11 H VAL 11 19.458 7.334 -6.510 66 HA VAL 11 HA VAL 11 22.083 6.654 -7.656 67 HB VAL 11 HB VAL 11 22.046 8.777 -8.922 68 HG11 VAL 11 HG11 VAL 11 19.800 6.862 -9.542 69 HG12 VAL 11 HG12 VAL 11 20.473 8.036 -10.674 70 HG13 VAL 11 HG13 VAL 11 21.478 6.722 -10.063 71 HG21 VAL 11 HG21 VAL 11 19.903 9.939 -9.253 72 HG22 VAL 11 HG22 VAL 11 19.160 8.891 -8.045 73 HG23 VAL 11 HG23 VAL 11 20.442 10.008 -7.575 74 H ILE 12 H ILE 12 23.828 7.808 -6.892 75 HA ILE 12 HA ILE 12 23.308 9.398 -4.480 76 HB ILE 12 HB ILE 12 26.009 8.371 -5.297 77 HG12 ILE 12 HG12 ILE 12 23.884 6.882 -3.741 78 HG13 ILE 12 HG13 ILE 12 24.522 6.436 -5.320 79 HG21 ILE 12 HG21 ILE 12 26.494 8.524 -2.943 80 HG22 ILE 12 HG22 ILE 12 25.815 10.055 -3.493 81 HG23 ILE 12 HG23 ILE 12 24.813 8.922 -2.586 82 HD11 ILE 12 HD11 ILE 12 25.957 5.142 -4.241 83 HD12 ILE 12 HD12 ILE 12 26.762 6.616 -3.703 84 HD13 ILE 12 HD13 ILE 12 25.538 5.857 -2.685 85 H ALA 13 H ALA 13 23.869 11.492 -4.334 86 HA ALA 13 HA ALA 13 24.657 12.878 -6.727 87 HB1 ALA 13 HB1 ALA 13 23.207 14.220 -5.624 88 HB2 ALA 13 HB2 ALA 13 23.701 13.634 -4.034 89 HB3 ALA 13 HB3 ALA 13 24.693 14.818 -4.885 90 H LEU 14 H LEU 14 26.648 13.425 -7.324 91 HA LEU 14 HA LEU 14 28.864 12.882 -5.516 92 HB2 LEU 14 HB2 LEU 14 29.180 13.880 -8.315 93 HB3 LEU 14 HB3 LEU 14 30.243 12.831 -7.379 94 HG LEU 14 HG LEU 14 27.588 12.036 -8.576 95 HD11 LEU 14 HD11 LEU 14 29.411 10.466 -9.762 96 HD12 LEU 14 HD12 LEU 14 30.376 11.924 -9.535 97 HD13 LEU 14 HD13 LEU 14 28.863 12.000 -10.437 98 HD21 LEU 14 HD21 LEU 14 28.918 10.940 -6.398 99 HD22 LEU 14 HD22 LEU 14 29.366 9.907 -7.756 100 HD23 LEU 14 HD23 LEU 14 27.664 10.169 -7.370 101 H TYR 15 H TYR 15 27.153 15.558 -6.886 102 HA TYR 15 HA TYR 15 28.740 17.394 -5.288 103 HB2 TYR 15 HB2 TYR 15 28.395 17.797 -8.267 104 HB3 TYR 15 HB3 TYR 15 29.132 18.943 -7.153 105 HD1 TYR 15 HD1 TYR 15 29.562 15.746 -8.903 106 HD2 TYR 15 HD2 TYR 15 31.369 18.591 -6.306 107 HE1 TYR 15 HE1 TYR 15 31.750 14.682 -9.269 108 HE2 TYR 15 HE2 TYR 15 33.562 17.536 -6.667 109 HH TYR 15 HH TYR 15 34.706 16.031 -7.864 110 H ASP 16 H ASP 16 27.683 19.354 -4.833 111 HA ASP 16 HA ASP 16 24.855 19.185 -4.728 112 HB2 ASP 16 HB2 ASP 16 26.376 21.745 -4.319 113 HB3 ASP 16 HB3 ASP 16 24.918 21.185 -3.505 114 H TYR 17 H TYR 17 24.128 18.993 -6.867 115 HA TYR 17 HA TYR 17 24.757 20.911 -8.879 116 HB2 TYR 17 HB2 TYR 17 24.095 18.717 -9.579 117 HB3 TYR 17 HB3 TYR 17 22.590 18.817 -8.671 118 HD1 TYR 17 HD1 TYR 17 24.390 20.625 -11.404 119 HD2 TYR 17 HD2 TYR 17 20.658 19.325 -9.828 120 HE1 TYR 17 HE1 TYR 17 23.250 21.495 -13.402 121 HE2 TYR 17 HE2 TYR 17 19.508 20.190 -11.822 122 HH TYR 17 HH TYR 17 21.148 21.112 -14.636 123 H GLN 18 H GLN 18 23.465 22.555 -9.732 124 HA GLN 18 HA GLN 18 21.124 23.352 -8.154 125 HB2 GLN 18 HB2 GLN 18 23.599 24.948 -8.680 126 HB3 GLN 18 HB3 GLN 18 22.052 25.777 -8.566 127 HG2 GLN 18 HG2 GLN 18 21.756 24.593 -6.339 128 HG3 GLN 18 HG3 GLN 18 23.464 24.173 -6.462 129 HE21 GLN 18 HE21 GLN 18 24.478 25.412 -5.045 130 HE22 GLN 18 HE22 GLN 18 24.320 27.127 -4.908 131 H THR 19 H THR 19 19.434 23.703 -9.421 132 HA THR 19 HA THR 19 19.813 23.959 -12.290 133 HB THR 19 HB THR 19 18.110 22.407 -11.597 134 HG1 THR 19 HG1 THR 19 16.202 23.657 -12.545 135 HG21 THR 19 HG21 THR 19 16.010 23.441 -10.480 136 HG22 THR 19 HG22 THR 19 17.112 24.723 -9.977 137 HG23 THR 19 HG23 THR 19 17.409 23.058 -9.476 138 H ASN 20 H ASN 20 18.560 25.565 -13.521 139 HA ASN 20 HA ASN 20 18.691 28.170 -12.194 140 HB2 ASN 20 HB2 ASN 20 18.268 27.709 -15.142 141 HB3 ASN 20 HB3 ASN 20 18.903 29.143 -14.340 142 HD21 ASN 20 HD21 ASN 20 19.877 27.066 -16.405 143 HD22 ASN 20 HD22 ASN 20 21.486 26.720 -15.877 144 H ASP 21 H ASP 21 16.452 25.918 -13.560 145 HA ASP 21 HA ASP 21 14.266 27.837 -13.083 146 HB2 ASP 21 HB2 ASP 21 14.749 25.966 -15.347 147 HB3 ASP 21 HB3 ASP 21 13.085 26.176 -14.809 148 HA PRO 22 HA PRO 22 12.428 24.985 -10.305 149 HB2 PRO 22 HB2 PRO 22 9.783 25.250 -10.857 150 HB3 PRO 22 HB3 PRO 22 10.721 26.498 -10.029 151 HG2 PRO 22 HG2 PRO 22 9.926 26.324 -12.910 152 HG3 PRO 22 HG3 PRO 22 9.906 27.728 -11.827 153 HD2 PRO 22 HD2 PRO 22 11.878 27.310 -13.635 154 HD3 PRO 22 HD3 PRO 22 12.166 28.110 -12.076 155 H GLN 23 H GLN 23 11.991 24.575 -13.693 156 HA GLN 23 HA GLN 23 10.398 22.278 -13.776 157 HB2 GLN 23 HB2 GLN 23 11.304 23.800 -15.691 158 HB3 GLN 23 HB3 GLN 23 12.666 22.687 -15.696 159 HG2 GLN 23 HG2 GLN 23 11.163 20.825 -16.130 160 HG3 GLN 23 HG3 GLN 23 9.782 21.920 -16.090 161 HE21 GLN 23 HE21 GLN 23 9.317 21.155 -18.224 162 HE22 GLN 23 HE22 GLN 23 10.158 21.811 -19.583 163 H GLU 24 H GLU 24 13.896 22.650 -13.400 164 HA GLU 24 HA GLU 24 14.163 19.752 -13.057 165 HB2 GLU 24 HB2 GLU 24 16.446 21.706 -13.080 166 HB3 GLU 24 HB3 GLU 24 16.463 19.993 -13.472 167 HG2 GLU 24 HG2 GLU 24 14.729 21.005 -15.332 168 HG3 GLU 24 HG3 GLU 24 15.915 22.299 -15.164 169 H LEU 25 H LEU 25 15.740 19.061 -11.319 170 HA LEU 25 HA LEU 25 15.174 20.580 -8.862 171 HB2 LEU 25 HB2 LEU 25 14.905 17.810 -9.538 172 HB3 LEU 25 HB3 LEU 25 16.059 17.984 -8.217 173 HG LEU 25 HG LEU 25 14.408 19.056 -6.840 174 HD11 LEU 25 HD11 LEU 25 12.934 20.350 -7.913 175 HD12 LEU 25 HD12 LEU 25 11.983 18.875 -8.081 176 HD13 LEU 25 HD13 LEU 25 13.033 19.400 -9.396 177 HD21 LEU 25 HD21 LEU 25 12.583 17.004 -7.682 178 HD22 LEU 25 HD22 LEU 25 13.605 17.074 -6.246 179 HD23 LEU 25 HD23 LEU 25 14.243 16.413 -7.753 180 H ALA 26 H ALA 26 16.859 20.044 -7.084 181 HA ALA 26 HA ALA 26 19.539 20.328 -8.279 182 HB1 ALA 26 HB1 ALA 26 19.548 22.281 -7.197 183 HB2 ALA 26 HB2 ALA 26 18.148 21.844 -6.216 184 HB3 ALA 26 HB3 ALA 26 19.762 21.325 -5.730 185 H LEU 27 H LEU 27 21.295 19.294 -7.282 186 HA LEU 27 HA LEU 27 20.527 16.987 -5.635 187 HB2 LEU 27 HB2 LEU 27 23.012 17.447 -7.278 188 HB3 LEU 27 HB3 LEU 27 22.634 15.983 -6.374 189 HG LEU 27 HG LEU 27 20.996 17.013 -8.687 190 HD11 LEU 27 HD11 LEU 27 23.099 16.442 -9.602 191 HD12 LEU 27 HD12 LEU 27 22.044 15.060 -9.891 192 HD13 LEU 27 HD13 LEU 27 23.232 15.004 -8.589 193 HD21 LEU 27 HD21 LEU 27 20.157 15.368 -6.766 194 HD22 LEU 27 HD22 LEU 27 20.977 14.189 -7.790 195 HD23 LEU 27 HD23 LEU 27 19.677 15.180 -8.453 196 H ARG 28 H ARG 28 22.031 16.290 -3.952 197 HA ARG 28 HA ARG 28 23.607 18.499 -2.814 198 HB2 ARG 28 HB2 ARG 28 21.245 17.889 -1.760 199 HB3 ARG 28 HB3 ARG 28 22.190 16.631 -0.975 200 HG2 ARG 28 HG2 ARG 28 23.208 19.420 -0.880 201 HG3 ARG 28 HG3 ARG 28 21.832 18.988 0.137 202 HD2 ARG 28 HD2 ARG 28 23.299 16.964 0.825 203 HD3 ARG 28 HD3 ARG 28 24.630 17.926 0.184 204 HE ARG 28 HE ARG 28 23.357 19.634 1.864 205 HH11 ARG 28 HH11 ARG 28 24.654 16.422 2.208 206 HH12 ARG 28 HH12 ARG 28 25.038 16.615 3.886 207 HH21 ARG 28 HH21 ARG 28 23.858 19.902 4.073 208 HH22 ARG 28 HH22 ARG 28 24.584 18.595 4.947 209 H ARG 29 H ARG 29 25.606 17.962 -2.188 210 HA ARG 29 HA ARG 29 26.820 15.581 -2.864 211 HB2 ARG 29 HB2 ARG 29 27.829 17.865 -2.117 212 HB3 ARG 29 HB3 ARG 29 27.794 17.160 -0.507 213 HG2 ARG 29 HG2 ARG 29 29.254 15.390 -1.175 214 HG3 ARG 29 HG3 ARG 29 29.161 15.888 -2.866 215 HD2 ARG 29 HD2 ARG 29 30.403 17.845 -2.467 216 HD3 ARG 29 HD3 ARG 29 30.187 17.723 -0.722 217 HE ARG 29 HE ARG 29 31.577 15.462 -1.670 218 HH11 ARG 29 HH11 ARG 29 32.004 18.872 -1.113 219 HH12 ARG 29 HH12 ARG 29 33.712 18.747 -0.849 220 HH21 ARG 29 HH21 ARG 29 33.824 15.285 -1.324 221 HH22 ARG 29 HH22 ARG 29 34.746 16.707 -0.969 222 H ASN 30 H ASN 30 27.032 13.616 -1.966 223 HA ASN 30 HA ASN 30 26.753 11.857 -0.552 224 HB2 ASN 30 HB2 ASN 30 26.501 13.763 1.758 225 HB3 ASN 30 HB3 ASN 30 27.217 12.155 1.727 226 HD21 ASN 30 HD21 ASN 30 27.858 15.391 1.786 227 HD22 ASN 30 HD22 ASN 30 29.496 15.363 1.236 228 H GLU 31 H GLU 31 24.516 12.519 -1.848 229 HA GLU 31 HA GLU 31 22.442 11.931 0.126 230 HB2 GLU 31 HB2 GLU 31 22.623 14.464 -0.630 231 HB3 GLU 31 HB3 GLU 31 21.751 13.868 -2.035 232 HG2 GLU 31 HG2 GLU 31 20.071 14.602 -0.622 233 HG3 GLU 31 HG3 GLU 31 20.109 12.861 -0.346 234 H GLU 32 H GLU 32 20.782 10.649 -0.628 235 HA GLU 32 HA GLU 32 21.258 9.430 -3.249 236 HB2 GLU 32 HB2 GLU 32 20.054 8.509 -0.694 237 HB3 GLU 32 HB3 GLU 32 19.387 7.838 -2.176 238 HG2 GLU 32 HG2 GLU 32 20.998 6.302 -1.815 239 HG3 GLU 32 HG3 GLU 32 21.963 7.475 -2.710 240 H TYR 33 H TYR 33 19.523 9.026 -4.700 241 HA TYR 33 HA TYR 33 17.061 10.543 -4.238 242 HB2 TYR 33 HB2 TYR 33 18.893 10.858 -6.618 243 HB3 TYR 33 HB3 TYR 33 17.219 11.403 -6.612 244 HD1 TYR 33 HD1 TYR 33 16.530 13.287 -5.199 245 HD2 TYR 33 HD2 TYR 33 20.596 12.049 -5.402 246 HE1 TYR 33 HE1 TYR 33 17.223 15.418 -4.184 247 HE2 TYR 33 HE2 TYR 33 21.300 14.176 -4.387 248 HH TYR 33 HH TYR 33 19.220 16.250 -2.833 249 H CYS 34 H CYS 34 15.308 9.430 -4.803 250 HA CYS 34 HA CYS 34 15.509 6.799 -5.835 251 HB2 CYS 34 HB2 CYS 34 13.529 8.377 -4.576 252 HB3 CYS 34 HB3 CYS 34 12.843 7.838 -6.104 253 HG CYS 34 HG CYS 34 13.351 5.106 -5.567 254 H LEU 35 H LEU 35 16.138 6.457 -7.872 255 HA LEU 35 HA LEU 35 15.731 8.244 -10.015 256 HB2 LEU 35 HB2 LEU 35 17.371 6.199 -9.663 257 HB3 LEU 35 HB3 LEU 35 16.099 5.337 -10.527 258 HG LEU 35 HG LEU 35 17.887 6.044 -12.029 259 HD11 LEU 35 HD11 LEU 35 16.455 6.476 -13.700 260 HD12 LEU 35 HD12 LEU 35 15.766 7.880 -12.886 261 HD13 LEU 35 HD13 LEU 35 15.219 6.259 -12.460 262 HD21 LEU 35 HD21 LEU 35 17.339 8.852 -12.129 263 HD22 LEU 35 HD22 LEU 35 18.874 8.025 -11.864 264 HD23 LEU 35 HD23 LEU 35 17.826 8.400 -10.495 265 H LEU 36 H LEU 36 14.129 8.460 -11.468 266 HA LEU 36 HA LEU 36 11.896 6.543 -11.329 267 HB2 LEU 36 HB2 LEU 36 11.672 9.462 -12.024 268 HB3 LEU 36 HB3 LEU 36 10.359 8.323 -11.733 269 HG LEU 36 HG LEU 36 12.148 8.612 -9.447 270 HD11 LEU 36 HD11 LEU 36 11.710 10.824 -8.856 271 HD12 LEU 36 HD12 LEU 36 10.459 11.005 -10.086 272 HD13 LEU 36 HD13 LEU 36 12.155 10.920 -10.560 273 HD21 LEU 36 HD21 LEU 36 10.139 8.597 -8.239 274 HD22 LEU 36 HD22 LEU 36 9.845 7.527 -9.610 275 HD23 LEU 36 HD23 LEU 36 9.202 9.170 -9.619 276 H ASP 37 H ASP 37 13.483 8.934 -13.434 277 HA ASP 37 HA ASP 37 12.971 7.143 -15.707 278 HB2 ASP 37 HB2 ASP 37 11.643 9.545 -15.344 279 HB3 ASP 37 HB3 ASP 37 12.957 9.971 -16.438 280 H SER 38 H SER 38 14.818 6.580 -16.627 281 HA SER 38 HA SER 38 17.060 8.492 -16.572 282 HB2 SER 38 HB2 SER 38 18.466 6.287 -16.694 283 HB3 SER 38 HB3 SER 38 17.820 6.820 -15.142 284 HG SER 38 HG SER 38 17.290 4.563 -16.538 285 H SER 39 H SER 39 16.317 9.248 -18.639 286 HA SER 39 HA SER 39 16.283 7.428 -20.876 287 HB2 SER 39 HB2 SER 39 14.762 9.361 -20.819 288 HB3 SER 39 HB3 SER 39 16.147 10.453 -20.812 289 HG SER 39 HG SER 39 14.929 9.326 -22.900 290 H GLU 40 H GLU 40 18.385 10.031 -19.703 291 HA GLU 40 HA GLU 40 20.737 8.817 -20.677 292 HB2 GLU 40 HB2 GLU 40 19.443 9.884 -22.757 293 HB3 GLU 40 HB3 GLU 40 20.269 11.331 -22.196 294 HG2 GLU 40 HG2 GLU 40 22.351 10.504 -22.686 295 HG3 GLU 40 HG3 GLU 40 21.831 8.824 -22.565 296 H ILE 41 H ILE 41 22.649 10.322 -20.494 297 HA ILE 41 HA ILE 41 22.726 11.507 -17.986 298 HB ILE 41 HB ILE 41 24.726 10.793 -19.273 299 HG12 ILE 41 HG12 ILE 41 24.568 12.667 -17.364 300 HG13 ILE 41 HG13 ILE 41 26.095 12.197 -18.102 301 HG21 ILE 41 HG21 ILE 41 24.131 13.288 -20.848 302 HG22 ILE 41 HG22 ILE 41 25.693 12.471 -20.869 303 HG23 ILE 41 HG23 ILE 41 24.252 11.634 -21.447 304 HD11 ILE 41 HD11 ILE 41 26.234 14.130 -19.349 305 HD12 ILE 41 HD12 ILE 41 24.499 14.436 -19.260 306 HD13 ILE 41 HD13 ILE 41 25.514 14.699 -17.843 307 H HIS 42 H HIS 42 21.584 12.777 -20.973 308 HA HIS 42 HA HIS 42 21.936 15.510 -20.652 309 HB2 HIS 42 HB2 HIS 42 19.705 13.941 -21.943 310 HB3 HIS 42 HB3 HIS 42 19.793 15.699 -22.013 311 HD1 HIS 42 HD1 HIS 42 22.748 13.375 -22.396 312 HD2 HIS 42 HD2 HIS 42 20.421 15.959 -24.670 313 HE1 HIS 42 HE1 HIS 42 23.914 13.551 -24.617 314 H TRP 43 H TRP 43 19.281 13.458 -19.486 315 HA TRP 43 HA TRP 43 18.828 15.278 -17.283 316 HB2 TRP 43 HB2 TRP 43 16.438 15.594 -17.764 317 HB3 TRP 43 HB3 TRP 43 17.444 16.282 -19.036 318 HD1 TRP 43 HD1 TRP 43 17.220 15.270 -21.455 319 HE1 TRP 43 HE1 TRP 43 15.584 13.594 -22.522 320 HE3 TRP 43 HE3 TRP 43 15.056 13.431 -17.204 321 HZ2 TRP 43 HZ2 TRP 43 13.634 11.738 -21.673 322 HZ3 TRP 43 HZ3 TRP 43 13.313 11.708 -17.419 323 HH2 TRP 43 HH2 TRP 43 12.617 10.881 -19.608 324 H TRP 44 H TRP 44 18.316 14.159 -15.512 325 HA TRP 44 HA TRP 44 17.205 11.451 -15.854 326 HB2 TRP 44 HB2 TRP 44 19.544 12.400 -14.316 327 HB3 TRP 44 HB3 TRP 44 18.497 11.259 -13.478 328 HD1 TRP 44 HD1 TRP 44 18.858 10.844 -17.229 329 HE1 TRP 44 HE1 TRP 44 20.231 8.722 -17.714 330 HE3 TRP 44 HE3 TRP 44 20.414 9.779 -12.477 331 HZ2 TRP 44 HZ2 TRP 44 21.769 6.844 -16.273 332 HZ3 TRP 44 HZ3 TRP 44 21.833 7.802 -12.116 333 HH2 TRP 44 HH2 TRP 44 22.495 6.365 -13.976 334 H ARG 45 H ARG 45 15.252 11.247 -15.002 335 HA ARG 45 HA ARG 45 14.232 13.229 -13.163 336 HB2 ARG 45 HB2 ARG 45 13.123 11.417 -15.057 337 HB3 ARG 45 HB3 ARG 45 12.418 11.052 -13.488 338 HG2 ARG 45 HG2 ARG 45 12.163 13.704 -13.444 339 HG3 ARG 45 HG3 ARG 45 12.130 13.450 -15.190 340 HD2 ARG 45 HD2 ARG 45 10.065 12.612 -15.115 341 HD3 ARG 45 HD3 ARG 45 10.480 11.526 -13.789 342 HE ARG 45 HE ARG 45 10.219 14.110 -12.757 343 HH11 ARG 45 HH11 ARG 45 8.256 11.625 -14.202 344 HH12 ARG 45 HH12 ARG 45 6.812 12.099 -13.368 345 HH21 ARG 45 HH21 ARG 45 8.325 14.744 -11.654 346 HH22 ARG 45 HH22 ARG 45 6.853 13.873 -11.920 347 H VAL 46 H VAL 46 14.589 13.080 -11.055 348 HA VAL 46 HA VAL 46 14.436 10.432 -9.783 349 HB VAL 46 HB VAL 46 16.267 10.939 -8.306 350 HG11 VAL 46 HG11 VAL 46 16.559 10.265 -10.888 351 HG12 VAL 46 HG12 VAL 46 17.532 11.737 -10.852 352 HG13 VAL 46 HG13 VAL 46 17.910 10.401 -9.763 353 HG21 VAL 46 HG21 VAL 46 16.025 13.295 -8.007 354 HG22 VAL 46 HG22 VAL 46 17.634 13.007 -8.670 355 HG23 VAL 46 HG23 VAL 46 16.344 13.602 -9.714 356 H GLN 47 H GLN 47 14.239 10.687 -7.328 357 HA GLN 47 HA GLN 47 12.588 13.034 -6.676 358 HB2 GLN 47 HB2 GLN 47 11.038 11.248 -7.024 359 HB3 GLN 47 HB3 GLN 47 12.016 10.133 -6.080 360 HG2 GLN 47 HG2 GLN 47 11.433 11.161 -4.056 361 HG3 GLN 47 HG3 GLN 47 10.799 12.590 -4.870 362 HE21 GLN 47 HE21 GLN 47 8.692 12.690 -4.630 363 HE22 GLN 47 HE22 GLN 47 7.587 11.367 -4.737 364 H ASP 48 H ASP 48 12.911 13.941 -4.708 365 HA ASP 48 HA ASP 48 15.257 13.130 -3.249 366 HB2 ASP 48 HB2 ASP 48 14.715 15.114 -1.818 367 HB3 ASP 48 HB3 ASP 48 14.884 15.489 -3.531 368 H ARG 49 H ARG 49 14.809 13.575 -0.660 369 HA ARG 49 HA ARG 49 13.083 11.338 0.077 370 HB2 ARG 49 HB2 ARG 49 14.236 11.403 2.230 371 HB3 ARG 49 HB3 ARG 49 15.392 11.337 0.906 372 HG2 ARG 49 HG2 ARG 49 15.373 13.944 1.171 373 HG3 ARG 49 HG3 ARG 49 14.789 13.557 2.791 374 HD2 ARG 49 HD2 ARG 49 17.156 12.082 1.765 375 HD3 ARG 49 HD3 ARG 49 17.373 13.767 2.240 376 HE ARG 49 HE ARG 49 16.083 12.715 4.359 377 HH11 ARG 49 HH11 ARG 49 18.907 11.727 2.580 378 HH12 ARG 49 HH12 ARG 49 19.665 10.976 3.945 379 HH21 ARG 49 HH21 ARG 49 17.070 11.730 6.164 380 HH22 ARG 49 HH22 ARG 49 18.618 10.977 5.983 381 H ASN 50 H ASN 50 12.106 14.081 -0.637 382 HA ASN 50 HA ASN 50 10.704 14.684 1.884 383 HB2 ASN 50 HB2 ASN 50 11.214 16.591 -0.408 384 HB3 ASN 50 HB3 ASN 50 10.494 16.984 1.150 385 HD21 ASN 50 HD21 ASN 50 13.442 15.875 -0.414 386 HD22 ASN 50 HD22 ASN 50 14.525 16.480 0.789 387 H GLY 51 H GLY 51 10.419 13.936 -1.488 388 HA2 GLY 51 HA2 GLY 51 8.329 12.777 -2.098 389 HA3 GLY 51 HA3 GLY 51 7.478 14.033 -1.211 390 H HIS 52 H HIS 52 10.200 14.956 -3.117 391 HA HIS 52 HA HIS 52 8.375 16.036 -5.165 392 HB2 HIS 52 HB2 HIS 52 10.993 17.293 -4.350 393 HB3 HIS 52 HB3 HIS 52 9.712 18.001 -5.329 394 HD1 HIS 52 HD1 HIS 52 10.959 17.871 -1.938 395 HD2 HIS 52 HD2 HIS 52 7.268 18.490 -3.742 396 HE1 HIS 52 HE1 HIS 52 9.522 18.947 -0.177 397 H GLU 53 H GLU 53 8.936 15.828 -7.291 398 HA GLU 53 HA GLU 53 11.399 14.307 -7.848 399 HB2 GLU 53 HB2 GLU 53 8.917 14.186 -9.548 400 HB3 GLU 53 HB3 GLU 53 10.286 13.083 -9.536 401 HG2 GLU 53 HG2 GLU 53 9.564 12.589 -7.105 402 HG3 GLU 53 HG3 GLU 53 8.031 13.310 -7.592 403 H GLY 54 H GLY 54 12.723 15.015 -9.446 404 HA2 GLY 54 HA2 GLY 54 11.795 17.042 -11.320 405 HA3 GLY 54 HA3 GLY 54 13.042 17.551 -10.192 406 H TYR 55 H TYR 55 13.955 17.896 -12.510 407 HA TYR 55 HA TYR 55 15.236 15.443 -13.484 408 HB2 TYR 55 HB2 TYR 55 14.951 18.175 -14.747 409 HB3 TYR 55 HB3 TYR 55 15.837 16.837 -15.470 410 HD1 TYR 55 HD1 TYR 55 12.456 17.761 -14.204 411 HD2 TYR 55 HD2 TYR 55 14.728 15.322 -16.848 412 HE1 TYR 55 HE1 TYR 55 10.375 16.949 -15.233 413 HE2 TYR 55 HE2 TYR 55 12.653 14.504 -17.886 414 HH TYR 55 HH TYR 55 9.474 15.515 -16.680 415 H VAL 56 H VAL 56 17.454 15.254 -13.676 416 HA VAL 56 HA VAL 56 19.185 17.431 -12.868 417 HB VAL 56 HB VAL 56 20.338 15.921 -11.160 418 HG11 VAL 56 HG11 VAL 56 17.599 16.750 -10.272 419 HG12 VAL 56 HG12 VAL 56 19.132 16.865 -9.406 420 HG13 VAL 56 HG13 VAL 56 18.798 17.948 -10.758 421 HG21 VAL 56 HG21 VAL 56 17.655 14.545 -11.259 422 HG22 VAL 56 HG22 VAL 56 19.198 13.845 -11.748 423 HG23 VAL 56 HG23 VAL 56 18.915 14.261 -10.058 424 HA PRO 57 HA PRO 57 21.970 15.473 -15.643 425 HB2 PRO 57 HB2 PRO 57 24.357 16.269 -14.625 426 HB3 PRO 57 HB3 PRO 57 23.265 17.364 -15.481 427 HG2 PRO 57 HG2 PRO 57 23.658 17.001 -12.535 428 HG3 PRO 57 HG3 PRO 57 23.481 18.501 -13.464 429 HD2 PRO 57 HD2 PRO 57 21.438 17.403 -12.067 430 HD3 PRO 57 HD3 PRO 57 21.186 18.312 -13.570 431 H SER 58 H SER 58 22.514 13.397 -15.783 432 HA SER 58 HA SER 58 22.862 11.741 -13.508 433 HB2 SER 58 HB2 SER 58 22.754 10.001 -14.978 434 HB3 SER 58 HB3 SER 58 22.166 11.254 -16.070 435 HG SER 58 HG SER 58 24.276 9.739 -16.392 436 H SER 59 H SER 59 25.031 13.585 -15.455 437 HA SER 59 HA SER 59 27.427 12.219 -15.125 438 HB2 SER 59 HB2 SER 59 27.527 14.032 -16.599 439 HB3 SER 59 HB3 SER 59 26.756 15.130 -15.454 440 HG SER 59 HG SER 59 28.957 15.575 -15.551 441 H TYR 60 H TYR 60 25.587 14.083 -12.852 442 HA TYR 60 HA TYR 60 27.769 13.891 -10.889 443 HB2 TYR 60 HB2 TYR 60 25.289 15.618 -10.772 444 HB3 TYR 60 HB3 TYR 60 26.641 15.651 -9.645 445 HD1 TYR 60 HD2 TYR 60 25.690 16.324 -13.166 446 HD2 TYR 60 HD1 TYR 60 28.542 16.975 -10.077 447 HE1 TYR 60 HE2 TYR 60 26.797 18.025 -14.555 448 HE2 TYR 60 HE1 TYR 60 29.657 18.679 -11.457 449 HH TYR 60 HH TYR 60 29.858 19.233 -13.891 450 H LEU 61 H LEU 61 25.694 11.841 -11.770 451 HA LEU 61 HA LEU 61 24.817 11.136 -9.055 452 HB2 LEU 61 HB2 LEU 61 23.203 11.218 -11.571 453 HB3 LEU 61 HB3 LEU 61 22.802 10.062 -10.303 454 HG LEU 61 HG LEU 61 22.935 13.041 -9.864 455 HD11 LEU 61 HD11 LEU 61 21.192 12.711 -11.437 456 HD12 LEU 61 HD12 LEU 61 20.427 12.866 -9.855 457 HD13 LEU 61 HD13 LEU 61 20.610 11.275 -10.594 458 HD21 LEU 61 HD21 LEU 61 21.241 11.967 -8.019 459 HD22 LEU 61 HD22 LEU 61 22.945 12.330 -7.739 460 HD23 LEU 61 HD23 LEU 61 22.451 10.694 -8.180 461 H VAL 62 H VAL 62 25.212 9.081 -8.470 462 HA VAL 62 HA VAL 62 26.122 7.216 -10.565 463 HB VAL 62 HB VAL 62 27.135 7.483 -7.732 464 HG11 VAL 62 HG11 VAL 62 27.303 5.282 -9.688 465 HG12 VAL 62 HG12 VAL 62 28.810 5.716 -8.877 466 HG13 VAL 62 HG13 VAL 62 27.399 5.248 -7.927 467 HG21 VAL 62 HG21 VAL 62 28.630 7.774 -10.331 468 HG22 VAL 62 HG22 VAL 62 27.959 9.132 -9.428 469 HG23 VAL 62 HG23 VAL 62 29.217 8.129 -8.706 470 H GLU 63 H GLU 63 24.997 5.395 -10.741 471 HA GLU 63 HA GLU 63 22.697 4.835 -9.295 472 HB2 GLU 63 HB2 GLU 63 24.404 3.360 -11.204 473 HB3 GLU 63 HB3 GLU 63 23.379 2.365 -10.178 474 HG2 GLU 63 HG2 GLU 63 21.450 3.127 -11.119 475 HG3 GLU 63 HG3 GLU 63 22.144 4.690 -11.546 476 H LYS 64 H LYS 64 22.495 4.354 -7.220 477 HA LYS 64 HA LYS 64 24.648 3.389 -5.626 478 HB2 LYS 64 HB2 LYS 64 22.808 4.849 -4.783 479 HB3 LYS 64 HB3 LYS 64 21.705 3.488 -4.939 480 HG2 LYS 64 HG2 LYS 64 24.144 2.999 -3.358 481 HG3 LYS 64 HG3 LYS 64 22.976 4.126 -2.666 482 HD2 LYS 64 HD2 LYS 64 21.217 2.349 -3.140 483 HD3 LYS 64 HD3 LYS 64 22.563 1.247 -3.436 484 HE2 LYS 64 HE2 LYS 64 23.360 2.203 -1.092 485 HE3 LYS 64 HE3 LYS 64 21.630 2.484 -0.900 486 HZ1 LYS 64 HZ1 LYS 64 21.171 0.220 -1.088 487 HZ2 LYS 64 HZ2 LYS 64 22.550 0.270 -0.110 488 HZ3 LYS 64 HZ3 LYS 64 22.687 -0.145 -1.744 489 H SER 65 H SER 65 25.386 1.394 -6.123 490 HA SER 65 HA SER 65 23.638 -0.849 -5.546 491 HB2 SER 65 HB2 SER 65 23.482 -1.726 -7.621 492 HB3 SER 65 HB3 SER 65 23.903 -0.108 -8.182 493 HG SER 65 HG SER 65 26.006 -0.735 -8.410 494 HA PRO 66 HA PRO 66 27.273 -2.656 -3.886 495 HB2 PRO 66 HB2 PRO 66 26.922 -5.291 -4.435 496 HB3 PRO 66 HB3 PRO 66 25.973 -4.429 -3.218 497 HG2 PRO 66 HG2 PRO 66 25.250 -5.129 -6.037 498 HG3 PRO 66 HG3 PRO 66 24.262 -5.237 -4.569 499 HD2 PRO 66 HD2 PRO 66 24.031 -3.197 -6.333 500 HD3 PRO 66 HD3 PRO 66 23.757 -2.988 -4.592
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