NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
549699 | 2lqq | 18325 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 7.302 3.753 16.420 2 H2 MET 1 HT2 MET 1 8.240 4.322 17.692 3 H3 MET 1 HT3 MET 1 8.586 2.832 17.011 4 HA MET 1 HA MET 1 8.777 5.404 15.634 5 HB2 MET 1 HB2 MET 1 10.927 3.613 16.770 6 HB3 MET 1 HB1 MET 1 11.238 4.935 15.653 7 HG2 MET 1 HG2 MET 1 10.017 5.184 18.393 8 HG3 MET 1 HG1 MET 1 11.673 5.590 17.954 9 HE1 MET 1 HE1 MET 1 10.079 9.103 18.601 10 HE2 MET 1 HE2 MET 1 11.358 7.974 19.046 11 HE3 MET 1 HE3 MET 1 9.678 7.615 19.454 12 H VAL 2 HN VAL 2 7.711 2.403 15.044 13 HA VAL 2 HA VAL 2 9.334 1.915 12.753 14 HB VAL 2 HB VAL 2 8.361 -0.020 13.942 15 HG11 VAL 2 HG11 VAL 2 6.270 0.883 14.719 16 HG12 VAL 2 HG12 VAL 2 5.989 -0.601 13.808 17 HG13 VAL 2 HG13 VAL 2 5.660 0.966 13.067 18 HG21 VAL 2 HG21 VAL 2 7.475 -1.267 12.010 19 HG22 VAL 2 HG22 VAL 2 8.913 -0.330 11.616 20 HG23 VAL 2 HG23 VAL 2 7.321 0.252 11.127 21 H THR 3 HN THR 3 9.281 3.349 11.254 22 HA THR 3 HA THR 3 7.041 4.973 10.718 23 HB THR 3 HB THR 3 9.605 4.714 9.139 24 HG1 THR 3 HG1 THR 3 10.504 5.982 10.642 25 HG21 THR 3 HG21 THR 3 7.640 7.011 9.470 26 HG22 THR 3 HG22 THR 3 7.808 6.015 8.023 27 HG23 THR 3 HG23 THR 3 9.131 7.065 8.531 28 H ALA 4 HN ALA 4 5.346 4.133 9.796 29 HA ALA 4 HA ALA 4 5.518 2.201 7.665 30 HB1 ALA 4 HB1 ALA 4 3.759 1.995 9.349 31 HB2 ALA 4 HB2 ALA 4 3.060 2.281 7.757 32 HB3 ALA 4 HB3 ALA 4 3.152 3.595 8.927 33 H ALA 5 HN ALA 5 6.303 3.122 5.885 34 HA ALA 5 HA ALA 5 5.563 5.820 5.126 35 HB1 ALA 5 HB1 ALA 5 7.222 5.588 3.367 36 HB2 ALA 5 HB2 ALA 5 7.389 3.869 3.730 37 HB3 ALA 5 HB3 ALA 5 7.887 5.076 4.919 38 H LEU 6 HN LEU 6 4.083 2.955 4.738 39 HA LEU 6 HA LEU 6 3.094 3.590 2.039 40 HB2 LEU 6 HB2 LEU 6 2.817 1.001 3.531 41 HB3 LEU 6 HB1 LEU 6 2.355 1.336 1.881 42 HG LEU 6 HG LEU 6 5.142 1.118 2.961 43 HD11 LEU 6 HD11 LEU 6 5.227 -0.791 1.453 44 HD12 LEU 6 HD12 LEU 6 3.535 -0.526 1.024 45 HD13 LEU 6 HD13 LEU 6 3.970 -0.978 2.673 46 HD21 LEU 6 HD21 LEU 6 5.042 2.855 1.272 47 HD22 LEU 6 HD22 LEU 6 4.176 1.764 0.189 48 HD23 LEU 6 HD23 LEU 6 5.845 1.418 0.641 49 H THR 7 HN THR 7 1.078 4.302 1.944 50 HA THR 7 HA THR 7 -0.670 3.807 4.219 51 HB THR 7 HB THR 7 -1.025 5.653 1.837 52 HG1 THR 7 HG1 THR 7 0.523 5.849 4.064 53 HG21 THR 7 HG21 THR 7 -2.684 6.757 3.284 54 HG22 THR 7 HG22 THR 7 -2.367 5.562 4.543 55 HG23 THR 7 HG23 THR 7 -3.103 5.063 3.022 56 H ILE 8 HN ILE 8 -1.764 1.941 3.896 57 HA ILE 8 HA ILE 8 -2.419 1.187 1.140 58 HB ILE 8 HB ILE 8 -2.060 -0.605 3.564 59 HG12 ILE 8 HG12 ILE 8 -0.478 -0.346 1.002 60 HG13 ILE 8 HG11 ILE 8 0.048 0.154 2.604 61 HG21 ILE 8 HG21 ILE 8 -3.875 -1.438 2.172 62 HG22 ILE 8 HG22 ILE 8 -2.479 -2.510 2.079 63 HG23 ILE 8 HG23 ILE 8 -2.834 -1.417 0.744 64 HD11 ILE 8 HD11 ILE 8 0.031 -2.171 3.330 65 HD12 ILE 8 HD12 ILE 8 1.076 -1.942 1.926 66 HD13 ILE 8 HD13 ILE 8 -0.517 -2.670 1.731 67 H TYR 9 HN TYR 9 -4.429 0.903 0.598 68 HA TYR 9 HA TYR 9 -6.414 1.667 2.524 69 HB2 TYR 9 HB2 TYR 9 -6.520 1.226 -0.468 70 HB3 TYR 9 HB1 TYR 9 -7.893 1.784 0.476 71 HD1 TYR 9 HD1 TYR 9 -4.550 2.672 -0.784 72 HD2 TYR 9 HD2 TYR 9 -7.971 4.082 1.300 73 HE1 TYR 9 HE1 TYR 9 -3.692 4.955 -0.959 74 HE2 TYR 9 HE2 TYR 9 -7.119 6.390 1.127 75 HH TYR 9 HH TYR 9 -5.169 7.563 0.773 76 H THR 10 HN THR 10 -7.783 0.233 3.531 77 HA THR 10 HA THR 10 -8.051 -2.414 2.388 78 HB THR 10 HB THR 10 -7.845 -3.312 4.737 79 HG1 THR 10 HG1 THR 10 -6.632 -2.065 6.202 80 HG21 THR 10 HG21 THR 10 -6.099 -3.738 3.072 81 HG22 THR 10 HG22 THR 10 -5.380 -3.494 4.666 82 HG23 THR 10 HG23 THR 10 -5.335 -2.199 3.470 83 H THR 11 HN THR 11 -9.813 -3.639 3.432 84 HA THR 11 HA THR 11 -11.783 -2.168 4.963 85 HB THR 11 HB THR 11 -13.445 -3.433 3.411 86 HG1 THR 11 HG1 THR 11 -12.488 -3.275 1.142 87 HG21 THR 11 HG21 THR 11 -13.654 -1.528 1.881 88 HG22 THR 11 HG22 THR 11 -12.117 -0.873 2.483 89 HG23 THR 11 HG23 THR 11 -13.516 -1.048 3.563 90 H SER 12 HN SER 12 -13.376 -3.814 5.865 91 HA SER 12 HA SER 12 -12.108 -6.271 6.546 92 HB2 SER 12 HB2 SER 12 -13.750 -5.043 8.027 93 HB3 SER 12 HB1 SER 12 -15.023 -5.463 6.888 94 HG SER 12 HG SER 12 -13.632 -7.675 7.616 95 H TRP 13 HN TRP 13 -14.072 -5.094 4.028 96 HA TRP 13 HA TRP 13 -15.038 -7.635 3.083 97 HB2 TRP 13 HB2 TRP 13 -14.904 -5.139 1.375 98 HB3 TRP 13 HB1 TRP 13 -16.110 -6.414 1.362 99 HD1 TRP 13 HD1 TRP 13 -16.995 -6.375 4.361 100 HE1 TRP 13 HE1 TRP 13 -18.291 -4.410 5.327 101 HE3 TRP 13 HE3 TRP 13 -15.682 -2.848 0.930 102 HZ2 TRP 13 HZ2 TRP 13 -18.727 -1.662 4.700 103 HZ3 TRP 13 HZ3 TRP 13 -16.576 -0.569 1.179 104 HH2 TRP 13 HH2 TRP 13 -18.068 0.009 3.020 105 H CYS 14 HN CYS 14 -12.964 -8.731 2.884 106 HA CYS 14 HA CYS 14 -11.208 -7.596 0.853 107 HB2 CYS 14 HB2 CYS 14 -10.407 -6.881 3.039 108 HB3 CYS 14 HB1 CYS 14 -10.339 -8.554 3.593 109 H GLY 15 HN GLY 15 -9.586 -9.069 0.166 110 HA2 GLY 15 HA2 GLY 15 -9.698 -11.874 0.585 111 HA3 GLY 15 HA1 GLY 15 -10.426 -11.415 -0.962 112 H TYR 16 HN TYR 16 -9.201 -10.266 -2.464 113 HA TYR 16 HA TYR 16 -6.593 -11.091 -2.867 114 HB2 TYR 16 HB2 TYR 16 -6.510 -9.479 -4.721 115 HB3 TYR 16 HB1 TYR 16 -8.017 -10.371 -4.700 116 HD1 TYR 16 HD1 TYR 16 -9.451 -8.560 -2.575 117 HD2 TYR 16 HD2 TYR 16 -7.159 -7.660 -6.054 118 HE1 TYR 16 HE1 TYR 16 -10.667 -6.456 -2.834 119 HE2 TYR 16 HE2 TYR 16 -8.375 -5.549 -6.301 120 HH TYR 16 HH TYR 16 -10.684 -4.687 -5.590 121 H CYS 17 HN CYS 17 -7.717 -8.257 -1.198 122 HA CYS 17 HA CYS 17 -5.339 -6.820 -1.115 123 HB2 CYS 17 HB2 CYS 17 -6.585 -6.138 1.217 124 HB3 CYS 17 HB1 CYS 17 -6.991 -5.429 -0.349 125 H LEU 18 HN LEU 18 -6.607 -9.426 0.879 126 HA LEU 18 HA LEU 18 -4.826 -9.140 3.036 127 HB2 LEU 18 HB2 LEU 18 -7.002 -10.267 3.136 128 HB3 LEU 18 HB1 LEU 18 -6.350 -11.563 2.157 129 HG LEU 18 HG LEU 18 -4.775 -12.152 3.928 130 HD11 LEU 18 HD11 LEU 18 -4.933 -11.065 6.128 131 HD12 LEU 18 HD12 LEU 18 -6.052 -9.877 5.457 132 HD13 LEU 18 HD13 LEU 18 -4.384 -9.943 4.889 133 HD21 LEU 18 HD21 LEU 18 -6.385 -12.936 5.553 134 HD22 LEU 18 HD22 LEU 18 -7.014 -13.100 3.896 135 HD23 LEU 18 HD23 LEU 18 -7.547 -11.761 4.926 136 H ARG 19 HN ARG 19 -4.710 -10.833 0.008 137 HA ARG 19 HA ARG 19 -2.586 -12.608 0.451 138 HB2 ARG 19 HB2 ARG 19 -3.153 -11.067 -2.089 139 HB3 ARG 19 HB1 ARG 19 -2.198 -12.524 -1.961 140 HG2 ARG 19 HG2 ARG 19 -5.169 -12.292 -1.496 141 HG3 ARG 19 HG1 ARG 19 -4.395 -12.932 -2.936 142 HD2 ARG 19 HD2 ARG 19 -5.050 -14.835 -1.725 143 HD3 ARG 19 HD1 ARG 19 -3.339 -14.664 -1.365 144 HE ARG 19 HE ARG 19 -3.853 -14.081 0.824 145 HH11 ARG 19 HH11 ARG 19 -6.839 -14.388 -1.061 146 HH12 ARG 19 HH12 ARG 19 -7.823 -14.615 0.309 147 HH21 ARG 19 HH21 ARG 19 -5.251 -14.395 2.670 148 HH22 ARG 19 HH22 ARG 19 -6.940 -14.617 2.427 149 H LEU 20 HN LEU 20 -2.540 -9.365 -0.957 150 HA LEU 20 HA LEU 20 0.239 -9.141 -1.091 151 HB2 LEU 20 HB2 LEU 20 -1.181 -7.757 -2.465 152 HB3 LEU 20 HB1 LEU 20 -1.934 -7.048 -1.059 153 HG LEU 20 HG LEU 20 0.416 -6.091 -0.559 154 HD11 LEU 20 HD11 LEU 20 1.848 -7.201 -2.161 155 HD12 LEU 20 HD12 LEU 20 1.692 -5.521 -2.618 156 HD13 LEU 20 HD13 LEU 20 0.768 -6.731 -3.477 157 HD21 LEU 20 HD21 LEU 20 -0.070 -4.142 -2.003 158 HD22 LEU 20 HD22 LEU 20 -1.443 -4.726 -1.060 159 HD23 LEU 20 HD23 LEU 20 -1.338 -5.113 -2.775 160 H LYS 21 HN LYS 21 -2.124 -8.171 1.303 161 HA LYS 21 HA LYS 21 -0.498 -6.666 3.002 162 HB2 LYS 21 HB2 LYS 21 -2.969 -6.677 3.081 163 HB3 LYS 21 HB1 LYS 21 -2.938 -8.330 3.665 164 HG2 LYS 21 HG2 LYS 21 -1.895 -7.626 5.718 165 HG3 LYS 21 HG1 LYS 21 -1.770 -5.979 5.116 166 HD2 LYS 21 HD2 LYS 21 -4.202 -5.785 5.054 167 HD3 LYS 21 HD1 LYS 21 -4.365 -7.457 5.572 168 HE2 LYS 21 HE2 LYS 21 -3.246 -6.977 7.672 169 HE3 LYS 21 HE1 LYS 21 -2.961 -5.316 7.175 170 HZ1 LYS 21 HZ1 LYS 21 -5.701 -6.441 7.499 171 HZ2 LYS 21 HZ2 LYS 21 -5.231 -4.787 7.459 172 HZ3 LYS 21 HZ3 LYS 21 -4.814 -5.752 8.732 173 H THR 22 HN THR 22 -1.027 -10.134 2.791 174 HA THR 22 HA THR 22 0.408 -10.811 5.158 175 HB THR 22 HB THR 22 -0.127 -12.511 2.691 176 HG1 THR 22 HG1 THR 22 -1.994 -11.566 3.821 177 HG21 THR 22 HG21 THR 22 1.582 -13.482 4.167 178 HG22 THR 22 HG22 THR 22 0.092 -14.424 4.242 179 HG23 THR 22 HG23 THR 22 0.499 -13.311 5.548 180 H ALA 23 HN ALA 23 1.196 -10.620 1.726 181 HA ALA 23 HA ALA 23 3.841 -11.539 1.793 182 HB1 ALA 23 HB1 ALA 23 2.643 -9.520 -0.091 183 HB2 ALA 23 HB2 ALA 23 2.502 -11.268 -0.267 184 HB3 ALA 23 HB3 ALA 23 4.084 -10.496 -0.377 185 H LEU 24 HN LEU 24 2.597 -8.232 2.065 186 HA LEU 24 HA LEU 24 5.185 -7.099 2.208 187 HB2 LEU 24 HB2 LEU 24 2.570 -5.944 3.130 188 HB3 LEU 24 HB1 LEU 24 4.057 -5.030 2.941 189 HG LEU 24 HG LEU 24 2.430 -6.340 0.792 190 HD11 LEU 24 HD11 LEU 24 2.123 -4.053 -0.037 191 HD12 LEU 24 HD12 LEU 24 3.026 -3.447 1.349 192 HD13 LEU 24 HD13 LEU 24 1.482 -4.269 1.590 193 HD21 LEU 24 HD21 LEU 24 4.003 -5.371 -0.821 194 HD22 LEU 24 HD22 LEU 24 4.780 -6.560 0.221 195 HD23 LEU 24 HD23 LEU 24 5.021 -4.834 0.511 196 H THR 25 HN THR 25 2.971 -8.215 4.695 197 HA THR 25 HA THR 25 4.463 -7.169 6.859 198 HB THR 25 HB THR 25 2.623 -9.593 6.893 199 HG1 THR 25 HG1 THR 25 1.389 -7.916 6.161 200 HG21 THR 25 HG21 THR 25 3.443 -7.663 9.073 201 HG22 THR 25 HG22 THR 25 4.005 -9.323 8.909 202 HG23 THR 25 HG23 THR 25 2.304 -8.997 9.255 203 H ALA 26 HN ALA 26 4.518 -10.284 5.157 204 HA ALA 26 HA ALA 26 6.486 -11.498 6.810 205 HB1 ALA 26 HB1 ALA 26 5.743 -12.138 3.953 206 HB2 ALA 26 HB2 ALA 26 4.956 -12.798 5.388 207 HB3 ALA 26 HB3 ALA 26 6.643 -13.186 5.050 208 H ASN 27 HN ASN 27 6.619 -9.326 4.179 209 HA ASN 27 HA ASN 27 9.458 -9.689 3.734 210 HB2 ASN 27 HB2 ASN 27 7.283 -8.222 2.418 211 HB3 ASN 27 HB1 ASN 27 8.906 -7.531 2.221 212 HD21 ASN 27 HD21 ASN 27 6.739 -10.099 1.457 213 HD22 ASN 27 HD22 ASN 27 7.733 -10.885 0.290 214 H ARG 28 HN ARG 28 7.873 -8.331 6.136 215 HA ARG 28 HA ARG 28 8.394 -6.945 7.814 216 HB2 ARG 28 HB2 ARG 28 11.093 -6.827 6.473 217 HB3 ARG 28 HB1 ARG 28 10.756 -6.208 8.085 218 HG2 ARG 28 HG2 ARG 28 10.185 -8.451 8.841 219 HG3 ARG 28 HG1 ARG 28 10.465 -9.075 7.217 220 HD2 ARG 28 HD2 ARG 28 12.521 -7.758 8.982 221 HD3 ARG 28 HD1 ARG 28 12.376 -9.491 8.692 222 HE ARG 28 HE ARG 28 12.648 -7.996 6.277 223 HH11 ARG 28 HH11 ARG 28 14.572 -9.338 8.957 224 HH12 ARG 28 HH12 ARG 28 15.956 -9.541 7.993 225 HH21 ARG 28 HH21 ARG 28 14.556 -8.259 5.036 226 HH22 ARG 28 HH22 ARG 28 15.967 -8.914 5.761 227 H ILE 29 HN ILE 29 7.211 -5.945 5.436 228 HA ILE 29 HA ILE 29 8.236 -3.252 5.205 229 HB ILE 29 HB ILE 29 6.023 -4.710 3.701 230 HG12 ILE 29 HG12 ILE 29 8.787 -3.822 2.846 231 HG13 ILE 29 HG11 ILE 29 8.336 -5.470 3.261 232 HG21 ILE 29 HG21 ILE 29 7.127 -1.936 3.305 233 HG22 ILE 29 HG22 ILE 29 5.502 -2.355 3.837 234 HG23 ILE 29 HG23 ILE 29 6.032 -2.774 2.207 235 HD11 ILE 29 HD11 ILE 29 6.805 -5.524 1.379 236 HD12 ILE 29 HD12 ILE 29 8.449 -5.141 0.877 237 HD13 ILE 29 HD13 ILE 29 7.237 -3.859 0.974 238 H ALA 30 HN ALA 30 7.440 -1.661 6.355 239 HA ALA 30 HA ALA 30 5.174 -2.106 8.089 240 HB1 ALA 30 HB1 ALA 30 7.048 0.251 7.865 241 HB2 ALA 30 HB2 ALA 30 7.212 -1.092 8.995 242 HB3 ALA 30 HB3 ALA 30 5.842 0.008 9.129 243 H TYR 31 HN TYR 31 3.207 -1.345 7.718 244 HA TYR 31 HA TYR 31 2.854 0.802 5.793 245 HB2 TYR 31 HB2 TYR 31 0.967 -0.431 4.740 246 HB3 TYR 31 HB1 TYR 31 2.534 -1.172 4.453 247 HD1 TYR 31 HD1 TYR 31 -0.633 -1.481 6.349 248 HD2 TYR 31 HD2 TYR 31 2.991 -3.382 5.195 249 HE1 TYR 31 HE1 TYR 31 -1.496 -3.619 7.184 250 HE2 TYR 31 HE2 TYR 31 2.142 -5.519 6.029 251 HH TYR 31 HH TYR 31 0.561 -6.388 7.452 252 H ASP 32 HN ASP 32 0.833 1.831 5.945 253 HA ASP 32 HA ASP 32 -0.525 1.466 8.515 254 HB2 ASP 32 HB2 ASP 32 0.728 3.555 8.465 255 HB3 ASP 32 HB1 ASP 32 0.033 3.966 6.904 256 H GLU 33 HN GLU 33 -2.491 0.651 8.174 257 HA GLU 33 HA GLU 33 -3.612 0.959 5.530 258 HB2 GLU 33 HB2 GLU 33 -5.150 -0.839 6.111 259 HB3 GLU 33 HB1 GLU 33 -3.488 -1.309 6.395 260 HG2 GLU 33 HG2 GLU 33 -3.841 -0.859 8.808 261 HG3 GLU 33 HG1 GLU 33 -5.545 -0.562 8.446 262 H VAL 34 HN VAL 34 -5.658 1.670 5.140 263 HA VAL 34 HA VAL 34 -6.292 3.894 6.889 264 HB VAL 34 HB VAL 34 -7.524 3.432 4.166 265 HG11 VAL 34 HG11 VAL 34 -7.059 5.962 5.715 266 HG12 VAL 34 HG12 VAL 34 -8.598 5.134 5.490 267 HG13 VAL 34 HG13 VAL 34 -7.766 5.838 4.102 268 HG21 VAL 34 HG21 VAL 34 -5.741 4.824 3.219 269 HG22 VAL 34 HG22 VAL 34 -5.111 3.323 3.900 270 HG23 VAL 34 HG23 VAL 34 -4.929 4.838 4.786 271 H ASP 35 HN ASP 35 -8.310 4.491 7.426 272 HA ASP 35 HA ASP 35 -10.022 2.432 8.424 273 HB2 ASP 35 HB2 ASP 35 -9.981 5.394 8.929 274 HB3 ASP 35 HB1 ASP 35 -11.133 4.288 9.670 275 H ILE 36 HN ILE 36 -10.084 3.598 5.532 276 HA ILE 36 HA ILE 36 -12.163 5.250 4.858 277 HB ILE 36 HB ILE 36 -12.375 4.107 2.680 278 HG12 ILE 36 HG12 ILE 36 -10.304 2.181 3.710 279 HG13 ILE 36 HG11 ILE 36 -12.022 1.791 3.614 280 HG21 ILE 36 HG21 ILE 36 -9.544 4.516 3.600 281 HG22 ILE 36 HG22 ILE 36 -10.662 5.760 3.020 282 HG23 ILE 36 HG23 ILE 36 -10.119 4.490 1.928 283 HD11 ILE 36 HD11 ILE 36 -10.721 0.920 1.719 284 HD12 ILE 36 HD12 ILE 36 -10.319 2.602 1.279 285 HD13 ILE 36 HD13 ILE 36 -11.985 2.050 1.232 286 H GLU 37 HN GLU 37 -12.635 1.880 5.764 287 HA GLU 37 HA GLU 37 -15.185 1.439 4.669 288 HB2 GLU 37 HB2 GLU 37 -13.625 -0.232 5.720 289 HB3 GLU 37 HB1 GLU 37 -14.071 0.441 7.270 290 HG2 GLU 37 HG2 GLU 37 -16.394 -0.227 6.876 291 HG3 GLU 37 HG1 GLU 37 -15.895 -0.965 5.348 292 H HIS 38 HN HIS 38 -14.054 2.828 7.641 293 HA HIS 38 HA HIS 38 -16.770 3.463 8.556 294 HB2 HIS 38 HB2 HIS 38 -15.137 2.229 10.032 295 HB3 HIS 38 HB1 HIS 38 -14.128 3.662 10.024 296 HD1 HIS 38 HD1 HIS 38 -17.077 2.147 11.668 297 HD2 HIS 38 HD2 HIS 38 -15.187 5.849 11.495 298 HE1 HIS 38 HE1 HIS 38 -17.944 3.461 13.620 299 H ASN 39 HN ASN 39 -13.667 4.821 7.698 300 HA ASN 39 HA ASN 39 -14.524 7.554 8.240 301 HB2 ASN 39 HB2 ASN 39 -12.267 6.859 8.937 302 HB3 ASN 39 HB1 ASN 39 -11.868 6.467 7.273 303 HD21 ASN 39 HD21 ASN 39 -11.354 8.083 5.890 304 HD22 ASN 39 HD22 ASN 39 -11.065 9.718 6.389 305 H ARG 40 HN ARG 40 -15.819 8.292 6.761 306 HA ARG 40 HA ARG 40 -16.022 7.289 4.129 307 HB2 ARG 40 HB2 ARG 40 -17.793 8.893 3.784 308 HB3 ARG 40 HB1 ARG 40 -17.948 8.152 5.367 309 HG2 ARG 40 HG2 ARG 40 -16.927 10.181 6.365 310 HG3 ARG 40 HG1 ARG 40 -16.899 10.909 4.761 311 HD2 ARG 40 HD2 ARG 40 -18.834 11.703 5.920 312 HD3 ARG 40 HD1 ARG 40 -19.360 10.597 4.648 313 HE ARG 40 HE ARG 40 -19.039 9.667 7.399 314 HH11 ARG 40 HH11 ARG 40 -21.187 10.301 4.650 315 HH12 ARG 40 HH12 ARG 40 -22.491 9.417 5.291 316 HH21 ARG 40 HH21 ARG 40 -20.857 8.497 8.296 317 HH22 ARG 40 HH22 ARG 40 -22.297 8.382 7.411 318 H ALA 41 HN ALA 41 -14.462 10.240 5.306 319 HA ALA 41 HA ALA 41 -14.346 11.549 2.817 320 HB1 ALA 41 HB1 ALA 41 -14.062 12.701 4.965 321 HB2 ALA 41 HB2 ALA 41 -12.753 13.051 3.836 322 HB3 ALA 41 HB3 ALA 41 -12.496 11.915 5.161 323 H ALA 42 HN ALA 42 -12.319 9.146 4.199 324 HA ALA 42 HA ALA 42 -10.269 9.565 2.182 325 HB1 ALA 42 HB1 ALA 42 -9.569 8.909 4.443 326 HB2 ALA 42 HB2 ALA 42 -9.068 7.716 3.247 327 HB3 ALA 42 HB3 ALA 42 -10.464 7.403 4.278 328 H ALA 43 HN ALA 43 -13.094 7.680 2.647 329 HA ALA 43 HA ALA 43 -12.442 5.503 0.938 330 HB1 ALA 43 HB1 ALA 43 -14.236 5.364 2.622 331 HB2 ALA 43 HB2 ALA 43 -14.833 4.987 1.008 332 HB3 ALA 43 HB3 ALA 43 -15.161 6.564 1.721 333 H GLU 44 HN GLU 44 -14.038 8.573 0.527 334 HA GLU 44 HA GLU 44 -14.816 8.214 -2.154 335 HB2 GLU 44 HB2 GLU 44 -14.194 10.823 -0.762 336 HB3 GLU 44 HB1 GLU 44 -15.200 10.611 -2.189 337 HG2 GLU 44 HG2 GLU 44 -15.793 9.732 0.628 338 HG3 GLU 44 HG1 GLU 44 -16.648 10.937 -0.330 339 H PHE 45 HN PHE 45 -11.897 9.261 -0.624 340 HA PHE 45 HA PHE 45 -10.582 10.352 -2.867 341 HB2 PHE 45 HB2 PHE 45 -9.939 10.865 -0.549 342 HB3 PHE 45 HB1 PHE 45 -9.452 9.198 -0.303 343 HD1 PHE 45 HD1 PHE 45 -8.717 12.179 -2.396 344 HD2 PHE 45 HD2 PHE 45 -7.244 8.582 -0.664 345 HE1 PHE 45 HE1 PHE 45 -6.441 12.766 -3.118 346 HE2 PHE 45 HE2 PHE 45 -4.967 9.161 -1.387 347 HZ PHE 45 HZ PHE 45 -4.565 11.256 -2.613 348 H VAL 46 HN VAL 46 -10.916 7.096 -1.636 349 HA VAL 46 HA VAL 46 -8.884 5.830 -3.139 350 HB VAL 46 HB VAL 46 -11.579 4.643 -2.388 351 HG11 VAL 46 HG11 VAL 46 -10.392 3.297 -4.023 352 HG12 VAL 46 HG12 VAL 46 -10.363 2.481 -2.458 353 HG13 VAL 46 HG13 VAL 46 -8.938 3.343 -3.041 354 HG21 VAL 46 HG21 VAL 46 -10.483 3.788 -0.390 355 HG22 VAL 46 HG22 VAL 46 -10.431 5.553 -0.428 356 HG23 VAL 46 HG23 VAL 46 -8.995 4.618 -0.837 357 H GLY 47 HN GLY 47 -12.237 6.587 -3.809 358 HA2 GLY 47 HA2 GLY 47 -12.470 5.405 -6.345 359 HA3 GLY 47 HA1 GLY 47 -13.440 6.755 -5.760 360 H SER 48 HN SER 48 -11.232 8.502 -5.306 361 HA SER 48 HA SER 48 -10.975 9.667 -7.841 362 HB2 SER 48 HB2 SER 48 -9.476 10.223 -5.282 363 HB3 SER 48 HB1 SER 48 -9.573 11.301 -6.673 364 HG SER 48 HG SER 48 -11.946 11.069 -6.322 365 H VAL 49 HN VAL 49 -8.646 7.898 -5.782 366 HA VAL 49 HA VAL 49 -6.568 8.308 -7.686 367 HB VAL 49 HB VAL 49 -5.139 6.844 -6.301 368 HG11 VAL 49 HG11 VAL 49 -5.258 9.212 -5.816 369 HG12 VAL 49 HG12 VAL 49 -5.099 8.302 -4.315 370 HG13 VAL 49 HG13 VAL 49 -6.666 8.955 -4.788 371 HG21 VAL 49 HG21 VAL 49 -5.968 6.014 -4.133 372 HG22 VAL 49 HG22 VAL 49 -6.839 5.276 -5.482 373 HG23 VAL 49 HG23 VAL 49 -7.586 6.577 -4.558 374 H ASN 50 HN ASN 50 -8.854 5.751 -7.217 375 HA ASN 50 HA ASN 50 -7.395 4.043 -9.070 376 HB2 ASN 50 HB2 ASN 50 -10.147 3.680 -7.860 377 HB3 ASN 50 HB1 ASN 50 -9.339 2.511 -8.885 378 HD21 ASN 50 HD21 ASN 50 -6.675 2.837 -7.605 379 HD22 ASN 50 HD22 ASN 50 -6.881 2.114 -6.053 380 H GLY 51 HN GLY 51 -10.031 6.312 -9.111 381 HA2 GLY 51 HA2 GLY 51 -10.655 7.495 -11.031 382 HA3 GLY 51 HA1 GLY 51 -9.981 6.215 -12.025 383 H GLY 52 HN GLY 52 -12.542 6.647 -9.604 384 HA2 GLY 52 HA2 GLY 52 -14.851 6.350 -9.988 385 HA3 GLY 52 HA1 GLY 52 -14.474 5.549 -11.506 386 H ASN 53 HN ASN 53 -12.438 4.079 -9.669 387 HA ASN 53 HA ASN 53 -14.333 1.989 -8.807 388 HB2 ASN 53 HB2 ASN 53 -11.464 1.762 -9.741 389 HB3 ASN 53 HB1 ASN 53 -12.322 0.458 -8.939 390 HD21 ASN 53 HD21 ASN 53 -11.144 0.601 -11.584 391 HD22 ASN 53 HD22 ASN 53 -12.427 0.242 -12.682 392 H ARG 54 HN ARG 54 -13.697 0.826 -6.897 393 HA ARG 54 HA ARG 54 -11.724 2.202 -5.293 394 HB2 ARG 54 HB2 ARG 54 -14.380 1.143 -4.268 395 HB3 ARG 54 HB1 ARG 54 -13.097 1.777 -3.244 396 HG2 ARG 54 HG2 ARG 54 -13.285 3.942 -4.415 397 HG3 ARG 54 HG1 ARG 54 -14.628 3.297 -5.342 398 HD2 ARG 54 HD2 ARG 54 -15.823 2.923 -3.162 399 HD3 ARG 54 HD1 ARG 54 -14.490 3.783 -2.377 400 HE ARG 54 HE ARG 54 -15.648 5.177 -4.597 401 HH11 ARG 54 HH11 ARG 54 -16.039 4.681 -1.087 402 HH12 ARG 54 HH12 ARG 54 -16.691 6.260 -0.864 403 HH21 ARG 54 HH21 ARG 54 -16.583 7.279 -4.192 404 HH22 ARG 54 HH22 ARG 54 -17.043 7.689 -2.611 405 H THR 55 HN THR 55 -10.270 0.807 -5.939 406 HA THR 55 HA THR 55 -10.583 -2.045 -5.621 407 HB THR 55 HB THR 55 -8.202 -0.341 -6.419 408 HG1 THR 55 HG1 THR 55 -10.149 -1.653 -8.046 409 HG21 THR 55 HG21 THR 55 -7.618 -2.612 -5.743 410 HG22 THR 55 HG22 THR 55 -7.397 -2.401 -7.480 411 HG23 THR 55 HG23 THR 55 -8.812 -3.269 -6.864 412 H VAL 56 HN VAL 56 -9.733 -3.128 -3.829 413 HA VAL 56 HA VAL 56 -9.278 -1.464 -1.623 414 HB VAL 56 HB VAL 56 -8.665 -4.396 -1.577 415 HG11 VAL 56 HG11 VAL 56 -7.689 -2.970 0.207 416 HG12 VAL 56 HG12 VAL 56 -8.899 -4.100 0.850 417 HG13 VAL 56 HG13 VAL 56 -9.304 -2.400 0.587 418 HG21 VAL 56 HG21 VAL 56 -11.025 -2.841 -0.807 419 HG22 VAL 56 HG22 VAL 56 -10.798 -4.604 -0.602 420 HG23 VAL 56 HG23 VAL 56 -10.942 -3.879 -2.247 421 HA PRO 57 HA PRO 57 -5.399 -2.847 -0.987 422 HB2 PRO 57 HB2 PRO 57 -3.564 -4.397 -2.317 423 HB3 PRO 57 HB1 PRO 57 -4.837 -4.975 -1.241 424 HG2 PRO 57 HG2 PRO 57 -4.802 -4.896 -4.217 425 HG3 PRO 57 HG1 PRO 57 -5.610 -6.046 -3.142 426 HD2 PRO 57 HD2 PRO 57 -6.760 -3.838 -4.437 427 HD3 PRO 57 HD1 PRO 57 -7.480 -4.872 -3.183 428 H THR 58 HN THR 58 -5.561 -0.712 -2.199 429 HA THR 58 HA THR 58 -3.694 0.027 -4.239 430 HB THR 58 HB THR 58 -5.909 1.331 -2.685 431 HG1 THR 58 HG1 THR 58 -7.062 0.427 -4.179 432 HG21 THR 58 HG21 THR 58 -4.291 2.500 -4.977 433 HG22 THR 58 HG22 THR 58 -4.270 3.076 -3.307 434 HG23 THR 58 HG23 THR 58 -5.733 3.237 -4.285 435 H VAL 59 HN VAL 59 -1.783 0.878 -3.640 436 HA VAL 59 HA VAL 59 -1.457 1.681 -0.845 437 HB VAL 59 HB VAL 59 -0.133 -0.324 -1.307 438 HG11 VAL 59 HG11 VAL 59 1.681 -0.282 -2.977 439 HG12 VAL 59 HG12 VAL 59 0.952 1.233 -3.591 440 HG13 VAL 59 HG13 VAL 59 0.040 -0.256 -3.637 441 HG21 VAL 59 HG21 VAL 59 0.887 1.326 0.198 442 HG22 VAL 59 HG22 VAL 59 1.653 2.112 -1.181 443 HG23 VAL 59 HG23 VAL 59 2.117 0.471 -0.735 444 H LYS 60 HN LYS 60 -0.809 3.661 -0.462 445 HA LYS 60 HA LYS 60 0.279 5.198 -2.698 446 HB2 LYS 60 HB2 LYS 60 -1.959 6.009 -1.787 447 HB3 LYS 60 HB1 LYS 60 -1.134 6.338 -0.272 448 HG2 LYS 60 HG2 LYS 60 0.237 8.008 -1.271 449 HG3 LYS 60 HG1 LYS 60 -0.268 7.543 -2.885 450 HD2 LYS 60 HD2 LYS 60 -1.472 9.484 -2.493 451 HD3 LYS 60 HD1 LYS 60 -2.632 8.217 -2.134 452 HE2 LYS 60 HE2 LYS 60 -1.037 9.806 -0.113 453 HE3 LYS 60 HE1 LYS 60 -2.720 10.073 -0.526 454 HZ1 LYS 60 HZ1 LYS 60 -1.544 7.739 0.840 455 HZ2 LYS 60 HZ2 LYS 60 -3.183 7.816 0.332 456 HZ3 LYS 60 HZ3 LYS 60 -2.583 8.903 1.481 457 H PHE 61 HN PHE 61 2.236 5.887 -2.442 458 HA PHE 61 HA PHE 61 3.658 5.117 -0.013 459 HB2 PHE 61 HB2 PHE 61 4.616 6.122 -2.696 460 HB3 PHE 61 HB1 PHE 61 5.689 5.812 -1.341 461 HD1 PHE 61 HD2 PHE 61 3.030 4.100 -3.319 462 HD2 PHE 61 HD1 PHE 61 6.725 3.762 -1.243 463 HE1 PHE 61 HE2 PHE 61 3.201 1.761 -3.997 464 HE2 PHE 61 HE1 PHE 61 6.897 1.433 -1.930 465 HZ PHE 61 HZ PHE 61 5.132 0.412 -3.314 466 H ALA 62 HN ALA 62 5.405 6.652 0.702 467 HA ALA 62 HA ALA 62 4.393 9.176 1.461 468 HB1 ALA 62 HB1 ALA 62 6.107 7.982 2.759 469 HB2 ALA 62 HB2 ALA 62 6.665 9.599 2.321 470 HB3 ALA 62 HB3 ALA 62 7.257 8.190 1.440 471 H ASP 63 HN ASP 63 5.624 8.063 -1.359 472 HA ASP 63 HA ASP 63 6.837 10.419 -2.478 473 HB2 ASP 63 HB2 ASP 63 7.546 8.253 -3.260 474 HB3 ASP 63 HB1 ASP 63 5.897 7.784 -3.627 475 H GLY 64 HN GLY 64 3.612 9.266 -2.008 476 HA2 GLY 64 HA2 GLY 64 1.702 10.561 -2.371 477 HA3 GLY 64 HA1 GLY 64 2.571 11.477 -3.591 478 H SER 65 HN SER 65 3.501 8.819 -4.752 479 HA SER 65 HA SER 65 1.377 8.595 -6.631 480 HB2 SER 65 HB2 SER 65 3.749 8.401 -7.277 481 HB3 SER 65 HB1 SER 65 3.882 6.928 -6.322 482 HG SER 65 HG SER 65 2.345 7.380 -8.657 483 H THR 66 HN THR 66 0.131 6.741 -7.097 484 HA THR 66 HA THR 66 -0.311 4.961 -4.827 485 HB THR 66 HB THR 66 -2.614 4.779 -5.927 486 HG1 THR 66 HG1 THR 66 -2.666 7.212 -6.986 487 HG21 THR 66 HG21 THR 66 -1.781 7.449 -4.786 488 HG22 THR 66 HG22 THR 66 -2.250 6.027 -3.852 489 HG23 THR 66 HG23 THR 66 -3.435 6.842 -4.870 490 H LEU 67 HN LEU 67 -0.298 2.804 -5.274 491 HA LEU 67 HA LEU 67 -0.209 2.013 -8.105 492 HB2 LEU 67 HB2 LEU 67 1.097 0.529 -5.806 493 HB3 LEU 67 HB1 LEU 67 1.085 0.026 -7.475 494 HG LEU 67 HG LEU 67 2.595 2.355 -6.288 495 HD11 LEU 67 HD11 LEU 67 3.572 0.110 -5.918 496 HD12 LEU 67 HD12 LEU 67 4.562 1.117 -6.975 497 HD13 LEU 67 HD13 LEU 67 3.553 -0.150 -7.660 498 HD21 LEU 67 HD21 LEU 67 3.540 2.660 -8.547 499 HD22 LEU 67 HD22 LEU 67 1.834 3.053 -8.464 500 HD23 LEU 67 HD23 LEU 67 2.351 1.522 -9.182 501 H THR 68 HN THR 68 -2.012 1.161 -8.661 502 HA THR 68 HA THR 68 -3.780 -0.034 -6.724 503 HB THR 68 HB THR 68 -4.093 0.319 -9.722 504 HG1 THR 68 HG1 THR 68 -3.903 2.349 -8.936 505 HG21 THR 68 HG21 THR 68 -6.507 0.180 -9.236 506 HG22 THR 68 HG22 THR 68 -6.142 -0.067 -7.528 507 HG23 THR 68 HG23 THR 68 -5.666 -1.284 -8.715 508 H ASN 69 HN ASN 69 -3.453 -2.110 -6.225 509 HA ASN 69 HA ASN 69 -2.886 -4.290 -6.251 510 HB2 ASN 69 HB2 ASN 69 -3.751 -4.115 -9.146 511 HB3 ASN 69 HB1 ASN 69 -3.290 -5.620 -8.378 512 HD21 ASN 69 HD21 ASN 69 -5.756 -4.852 -9.596 513 HD22 ASN 69 HD22 ASN 69 -6.985 -5.016 -8.412 514 HA PRO 70 HA PRO 70 1.283 -3.706 -8.207 515 HB2 PRO 70 HB2 PRO 70 2.754 -3.141 -6.098 516 HB3 PRO 70 HB1 PRO 70 1.724 -1.883 -6.794 517 HG2 PRO 70 HG2 PRO 70 1.175 -3.675 -4.448 518 HG3 PRO 70 HG1 PRO 70 1.024 -1.902 -4.532 519 HD2 PRO 70 HD2 PRO 70 -1.103 -3.588 -4.869 520 HD3 PRO 70 HD1 PRO 70 -0.973 -2.025 -5.699 521 H SER 71 HN SER 71 3.228 -4.981 -7.738 522 HA SER 71 HA SER 71 2.652 -7.559 -6.505 523 HB2 SER 71 HB2 SER 71 5.203 -6.673 -7.861 524 HB3 SER 71 HB1 SER 71 4.567 -8.303 -7.685 525 HG SER 71 HG SER 71 3.498 -6.218 -9.272 526 H ALA 72 HN ALA 72 4.165 -8.368 -4.833 527 HA ALA 72 HA ALA 72 4.702 -6.444 -2.825 528 HB1 ALA 72 HB1 ALA 72 5.699 -8.296 -1.575 529 HB2 ALA 72 HB2 ALA 72 5.714 -9.283 -3.035 530 HB3 ALA 72 HB3 ALA 72 4.178 -8.794 -2.318 531 H ASP 73 HN ASP 73 6.659 -8.031 -5.192 532 HA ASP 73 HA ASP 73 9.230 -7.312 -4.370 533 HB2 ASP 73 HB2 ASP 73 8.881 -8.969 -6.097 534 HB3 ASP 73 HB1 ASP 73 8.131 -7.769 -7.144 535 H GLU 74 HN GLU 74 6.975 -5.650 -6.512 536 HA GLU 74 HA GLU 74 8.543 -3.438 -7.241 537 HB2 GLU 74 HB2 GLU 74 5.555 -3.559 -6.824 538 HB3 GLU 74 HB1 GLU 74 6.408 -2.281 -7.666 539 HG2 GLU 74 HG2 GLU 74 7.095 -3.865 -9.370 540 HG3 GLU 74 HG1 GLU 74 6.252 -5.158 -8.523 541 H VAL 75 HN VAL 75 6.191 -3.875 -4.669 542 HA VAL 75 HA VAL 75 6.313 -1.310 -3.581 543 HB VAL 75 HB VAL 75 5.650 -3.907 -2.157 544 HG11 VAL 75 HG11 VAL 75 6.148 -2.123 -0.578 545 HG12 VAL 75 HG12 VAL 75 4.426 -2.506 -0.567 546 HG13 VAL 75 HG13 VAL 75 5.005 -1.059 -1.397 547 HG21 VAL 75 HG21 VAL 75 3.860 -1.894 -3.517 548 HG22 VAL 75 HG22 VAL 75 3.316 -3.297 -2.599 549 HG23 VAL 75 HG23 VAL 75 4.228 -3.518 -4.091 550 H LYS 76 HN LYS 76 8.121 -4.216 -2.738 551 HA LYS 76 HA LYS 76 9.487 -3.035 -0.577 552 HB2 LYS 76 HB2 LYS 76 9.149 -5.492 -0.957 553 HB3 LYS 76 HB1 LYS 76 10.332 -5.412 -2.232 554 HG2 LYS 76 HG2 LYS 76 12.086 -4.912 -0.693 555 HG3 LYS 76 HG1 LYS 76 10.936 -4.693 0.633 556 HD2 LYS 76 HD2 LYS 76 10.285 -7.053 0.429 557 HD3 LYS 76 HD1 LYS 76 11.447 -7.255 -0.877 558 HE2 LYS 76 HE2 LYS 76 12.312 -8.112 1.226 559 HE3 LYS 76 HE1 LYS 76 13.272 -6.758 0.656 560 HZ1 LYS 76 HZ1 LYS 76 12.887 -6.620 3.021 561 HZ2 LYS 76 HZ2 LYS 76 11.236 -6.649 2.866 562 HZ3 LYS 76 HZ3 LYS 76 12.137 -5.329 2.280 563 H ALA 77 HN ALA 77 10.261 -3.292 -4.016 564 HA ALA 77 HA ALA 77 12.940 -2.286 -3.719 565 HB1 ALA 77 HB1 ALA 77 12.319 -3.729 -5.622 566 HB2 ALA 77 HB2 ALA 77 12.960 -2.180 -6.169 567 HB3 ALA 77 HB3 ALA 77 11.224 -2.475 -6.201 568 H LYS 78 HN LYS 78 9.817 -0.896 -4.355 569 HA LYS 78 HA LYS 78 10.856 1.719 -4.887 570 HB2 LYS 78 HB2 LYS 78 8.083 0.746 -4.200 571 HB3 LYS 78 HB1 LYS 78 8.455 2.440 -4.530 572 HG2 LYS 78 HG2 LYS 78 8.898 0.171 -6.458 573 HG3 LYS 78 HG1 LYS 78 7.452 1.177 -6.424 574 HD2 LYS 78 HD2 LYS 78 8.813 3.153 -6.876 575 HD3 LYS 78 HD1 LYS 78 10.270 2.161 -6.887 576 HE2 LYS 78 HE2 LYS 78 9.463 0.925 -8.804 577 HE3 LYS 78 HE1 LYS 78 7.933 1.797 -8.757 578 HZ1 LYS 78 HZ1 LYS 78 10.602 2.995 -9.324 579 HZ2 LYS 78 HZ2 LYS 78 9.135 3.834 -9.258 580 HZ3 LYS 78 HZ3 LYS 78 9.388 2.694 -10.447 581 H LEU 79 HN LEU 79 9.640 0.002 -2.056 582 HA LEU 79 HA LEU 79 9.488 2.101 -0.271 583 HB2 LEU 79 HB2 LEU 79 8.762 -0.316 0.193 584 HB3 LEU 79 HB1 LEU 79 10.450 -0.683 0.369 585 HG LEU 79 HG LEU 79 10.513 0.987 2.258 586 HD11 LEU 79 HD11 LEU 79 8.455 2.240 1.929 587 HD12 LEU 79 HD12 LEU 79 8.371 1.355 3.440 588 HD13 LEU 79 HD13 LEU 79 7.528 0.747 2.027 589 HD21 LEU 79 HD21 LEU 79 10.631 -1.361 2.662 590 HD22 LEU 79 HD22 LEU 79 8.896 -1.529 2.458 591 HD23 LEU 79 HD23 LEU 79 9.539 -0.652 3.855 592 H VAL 80 HN VAL 80 12.184 -0.073 -0.975 593 HA VAL 80 HA VAL 80 13.956 1.040 0.864 594 HB VAL 80 HB VAL 80 15.772 -0.137 -0.315 595 HG11 VAL 80 HG11 VAL 80 14.448 -1.373 1.249 596 HG12 VAL 80 HG12 VAL 80 14.923 -2.397 -0.106 597 HG13 VAL 80 HG13 VAL 80 13.280 -1.758 -0.015 598 HG21 VAL 80 HG21 VAL 80 13.677 -0.682 -2.366 599 HG22 VAL 80 HG22 VAL 80 15.228 -1.532 -2.284 600 HG23 VAL 80 HG23 VAL 80 15.182 0.207 -2.607 601 H LYS 81 HN LYS 81 13.245 2.060 -2.408 602 HA LYS 81 HA LYS 81 15.469 3.866 -2.318 603 HB2 LYS 81 HB2 LYS 81 14.785 4.719 -4.499 604 HB3 LYS 81 HB1 LYS 81 14.854 2.965 -4.505 605 HG2 LYS 81 HG2 LYS 81 12.520 2.777 -4.473 606 HG3 LYS 81 HG1 LYS 81 12.308 4.498 -4.168 607 HD2 LYS 81 HD2 LYS 81 13.511 3.304 -6.673 608 HD3 LYS 81 HD1 LYS 81 11.856 3.899 -6.530 609 HE2 LYS 81 HE2 LYS 81 12.799 6.153 -5.942 610 HE3 LYS 81 HE1 LYS 81 14.402 5.512 -6.277 611 HZ1 LYS 81 HZ1 LYS 81 13.543 6.701 -8.161 612 HZ2 LYS 81 HZ2 LYS 81 12.178 5.730 -8.218 613 HZ3 LYS 81 HZ3 LYS 81 13.703 5.062 -8.548 614 H ILE 82 HN ILE 82 11.951 4.161 -1.865 615 HA ILE 82 HA ILE 82 12.199 6.999 -1.712 616 HB ILE 82 HB ILE 82 9.807 7.122 -1.109 617 HG12 ILE 82 HG12 ILE 82 8.440 4.941 -1.421 618 HG13 ILE 82 HG11 ILE 82 9.944 4.098 -1.089 619 HG21 ILE 82 HG21 ILE 82 10.391 5.377 -3.475 620 HG22 ILE 82 HG22 ILE 82 10.439 7.138 -3.410 621 HG23 ILE 82 HG23 ILE 82 8.903 6.290 -3.220 622 HD11 ILE 82 HD11 ILE 82 8.509 5.981 0.781 623 HD12 ILE 82 HD12 ILE 82 10.021 5.140 1.129 624 HD13 ILE 82 HD13 ILE 82 8.536 4.220 0.890 625 H ALA 83 HN ALA 83 12.409 4.501 0.580 626 HA ALA 83 HA ALA 83 12.238 6.374 2.793 627 HB1 ALA 83 HB1 ALA 83 12.652 4.419 4.211 628 HB2 ALA 83 HB2 ALA 83 12.939 3.435 2.778 629 HB3 ALA 83 HB3 ALA 83 11.335 4.105 3.078 630 H GLY 84 HN GLY 84 14.604 4.699 0.860 631 HA2 GLY 84 HA2 GLY 84 16.861 4.984 0.673 632 HA3 GLY 84 HA1 GLY 84 16.712 6.400 1.710 633 H LEU 85 HN LEU 85 15.608 3.219 2.619 634 HA LEU 85 HA LEU 85 17.854 2.787 4.393 635 HB2 LEU 85 HB2 LEU 85 16.116 4.230 5.583 636 HB3 LEU 85 HB1 LEU 85 14.995 2.906 5.388 637 HG LEU 85 HG LEU 85 16.554 1.482 6.743 638 HD11 LEU 85 HD11 LEU 85 18.231 2.604 8.111 639 HD12 LEU 85 HD12 LEU 85 17.920 4.116 7.259 640 HD13 LEU 85 HD13 LEU 85 18.603 2.737 6.395 641 HD21 LEU 85 HD21 LEU 85 14.574 2.491 7.733 642 HD22 LEU 85 HD22 LEU 85 15.474 3.973 8.061 643 HD23 LEU 85 HD23 LEU 85 15.904 2.476 8.887 644 H GLU 86 HN GLU 86 17.819 0.544 5.124 645 HA GLU 86 HA GLU 86 17.634 -1.682 4.800 646 HB2 GLU 86 HB2 GLU 86 14.802 -0.984 3.955 647 HB3 GLU 86 HB1 GLU 86 15.372 -2.626 4.215 648 HG2 GLU 86 HG2 GLU 86 15.296 -0.460 6.305 649 HG3 GLU 86 HG1 GLU 86 14.110 -1.751 6.130 650 H HIS 87 HN HIS 87 18.441 0.153 2.778 651 HA HIS 87 HA HIS 87 17.619 -0.950 0.210 652 HB2 HIS 87 HB2 HIS 87 17.870 1.561 0.738 653 HB3 HIS 87 HB1 HIS 87 19.594 1.265 0.759 654 HD1 HIS 87 HD1 HIS 87 16.907 2.173 -1.484 655 HD2 HIS 87 HD2 HIS 87 20.584 0.284 -1.799 656 HE1 HIS 87 HE1 HIS 87 17.489 2.197 -3.933 657 H HIS 88 HN HIS 88 20.319 -0.839 2.409 658 HA HIS 88 HA HIS 88 21.726 -2.787 0.800 659 HB2 HIS 88 HB2 HIS 88 22.611 -0.498 0.215 660 HB3 HIS 88 HB1 HIS 88 23.041 -0.293 1.908 661 HD1 HIS 88 HD1 HIS 88 23.952 -2.423 -1.092 662 HD2 HIS 88 HD2 HIS 88 25.461 -1.314 2.615 663 HE1 HIS 88 HE1 HIS 88 26.356 -3.200 -1.048 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 8.912 6.788 15.358 2 H2 MET 1 HT2 MET 1 8.586 6.058 16.827 3 H3 MET 1 HT3 MET 1 8.099 7.648 16.560 4 HA MET 1 HA MET 1 6.249 6.110 16.410 5 HB2 MET 1 HB2 MET 1 7.102 7.246 13.719 6 HB3 MET 1 HB1 MET 1 5.483 6.677 14.099 7 HG2 MET 1 HG2 MET 1 6.863 8.967 15.489 8 HG3 MET 1 HG1 MET 1 5.717 9.140 14.161 9 HE1 MET 1 HE1 MET 1 3.449 7.092 14.704 10 HE2 MET 1 HE2 MET 1 3.135 8.788 14.363 11 HE3 MET 1 HE3 MET 1 2.361 8.007 15.744 12 H VAL 2 HN VAL 2 5.312 4.640 14.400 13 HA VAL 2 HA VAL 2 6.927 2.296 14.508 14 HB VAL 2 HB VAL 2 5.177 1.222 13.082 15 HG11 VAL 2 HG11 VAL 2 4.987 1.172 15.489 16 HG12 VAL 2 HG12 VAL 2 3.393 1.336 14.754 17 HG13 VAL 2 HG13 VAL 2 4.177 2.738 15.477 18 HG21 VAL 2 HG21 VAL 2 3.833 3.925 13.239 19 HG22 VAL 2 HG22 VAL 2 3.110 2.451 12.597 20 HG23 VAL 2 HG23 VAL 2 4.496 3.179 11.786 21 H THR 3 HN THR 3 6.923 4.896 12.388 22 HA THR 3 HA THR 3 8.121 5.398 10.545 23 HB THR 3 HB THR 3 9.495 2.684 10.778 24 HG1 THR 3 HG1 THR 3 9.572 4.888 12.482 25 HG21 THR 3 HG21 THR 3 11.426 3.918 9.849 26 HG22 THR 3 HG22 THR 3 10.459 5.393 9.809 27 HG23 THR 3 HG23 THR 3 10.031 4.030 8.776 28 H ALA 4 HN ALA 4 5.613 4.463 10.191 29 HA ALA 4 HA ALA 4 5.583 2.382 8.189 30 HB1 ALA 4 HB1 ALA 4 3.158 2.744 8.111 31 HB2 ALA 4 HB2 ALA 4 3.329 4.158 9.151 32 HB3 ALA 4 HB3 ALA 4 3.708 2.553 9.776 33 H ALA 5 HN ALA 5 6.729 3.097 6.515 34 HA ALA 5 HA ALA 5 6.237 5.696 5.339 35 HB1 ALA 5 HB1 ALA 5 8.086 5.130 3.841 36 HB2 ALA 5 HB2 ALA 5 8.122 3.492 4.493 37 HB3 ALA 5 HB3 ALA 5 8.531 4.861 5.527 38 H LEU 6 HN LEU 6 4.654 2.890 5.222 39 HA LEU 6 HA LEU 6 3.823 3.308 2.453 40 HB2 LEU 6 HB2 LEU 6 5.261 1.198 2.956 41 HB3 LEU 6 HB1 LEU 6 3.825 0.634 3.802 42 HG LEU 6 HG LEU 6 2.572 0.892 1.697 43 HD11 LEU 6 HD11 LEU 6 5.338 1.404 0.642 44 HD12 LEU 6 HD12 LEU 6 3.952 2.505 0.590 45 HD13 LEU 6 HD13 LEU 6 3.938 1.019 -0.349 46 HD21 LEU 6 HD21 LEU 6 3.499 -1.124 0.684 47 HD22 LEU 6 HD22 LEU 6 3.440 -1.276 2.439 48 HD23 LEU 6 HD23 LEU 6 4.969 -0.925 1.628 49 H THR 7 HN THR 7 1.634 3.423 2.270 50 HA THR 7 HA THR 7 0.051 2.708 4.621 51 HB THR 7 HB THR 7 -0.359 4.998 2.679 52 HG1 THR 7 HG1 THR 7 0.426 4.834 5.400 53 HG21 THR 7 HG21 THR 7 -1.855 4.254 5.196 54 HG22 THR 7 HG22 THR 7 -2.475 4.114 3.551 55 HG23 THR 7 HG23 THR 7 -2.128 5.702 4.231 56 H ILE 8 HN ILE 8 -1.409 1.181 4.191 57 HA ILE 8 HA ILE 8 -2.043 0.629 1.378 58 HB ILE 8 HB ILE 8 -1.901 -1.289 3.719 59 HG12 ILE 8 HG12 ILE 8 -0.274 -1.110 1.179 60 HG13 ILE 8 HG11 ILE 8 0.275 -0.676 2.793 61 HG21 ILE 8 HG21 ILE 8 -2.466 -3.080 2.141 62 HG22 ILE 8 HG22 ILE 8 -2.733 -1.888 0.867 63 HG23 ILE 8 HG23 ILE 8 -3.765 -1.899 2.303 64 HD11 ILE 8 HD11 ILE 8 0.008 -3.012 3.481 65 HD12 ILE 8 HD12 ILE 8 1.138 -2.816 2.143 66 HD13 ILE 8 HD13 ILE 8 -0.490 -3.423 1.838 67 H TYR 9 HN TYR 9 -4.094 0.643 0.792 68 HA TYR 9 HA TYR 9 -6.034 1.261 2.814 69 HB2 TYR 9 HB2 TYR 9 -6.190 1.237 -0.195 70 HB3 TYR 9 HB1 TYR 9 -7.561 1.620 0.843 71 HD1 TYR 9 HD1 TYR 9 -7.558 3.657 2.186 72 HD2 TYR 9 HD2 TYR 9 -4.381 2.841 -0.508 73 HE1 TYR 9 HE1 TYR 9 -6.833 5.996 2.342 74 HE2 TYR 9 HE2 TYR 9 -3.639 5.180 -0.352 75 HH TYR 9 HH TYR 9 -4.635 7.375 0.207 76 H THR 10 HN THR 10 -7.509 -0.087 3.603 77 HA THR 10 HA THR 10 -7.871 -2.641 2.290 78 HB THR 10 HB THR 10 -7.932 -3.612 4.655 79 HG1 THR 10 HG1 THR 10 -7.045 -2.491 6.244 80 HG21 THR 10 HG21 THR 10 -6.136 -4.121 3.071 81 HG22 THR 10 HG22 THR 10 -5.499 -3.965 4.709 82 HG23 THR 10 HG23 THR 10 -5.287 -2.652 3.551 83 H THR 11 HN THR 11 -9.814 -3.793 3.242 84 HA THR 11 HA THR 11 -11.809 -2.098 4.465 85 HB THR 11 HB THR 11 -12.442 -3.604 1.896 86 HG1 THR 11 HG1 THR 11 -11.169 -1.201 2.226 87 HG21 THR 11 HG21 THR 11 -14.405 -2.173 1.888 88 HG22 THR 11 HG22 THR 11 -13.804 -1.320 3.296 89 HG23 THR 11 HG23 THR 11 -14.280 -3.018 3.437 90 H SER 12 HN SER 12 -13.203 -3.471 5.699 91 HA SER 12 HA SER 12 -12.455 -6.043 6.347 92 HB2 SER 12 HB2 SER 12 -15.245 -4.865 6.461 93 HB3 SER 12 HB1 SER 12 -14.684 -6.271 7.371 94 HG SER 12 HG SER 12 -14.109 -3.559 7.689 95 H TRP 13 HN TRP 13 -14.890 -5.049 3.925 96 HA TRP 13 HA TRP 13 -14.998 -7.792 3.095 97 HB2 TRP 13 HB2 TRP 13 -16.773 -7.159 1.536 98 HB3 TRP 13 HB1 TRP 13 -17.140 -6.588 3.152 99 HD1 TRP 13 HD1 TRP 13 -16.614 -5.489 -0.376 100 HE1 TRP 13 HE1 TRP 13 -17.081 -3.027 -0.615 101 HE3 TRP 13 HE3 TRP 13 -17.018 -4.269 4.568 102 HZ2 TRP 13 HZ2 TRP 13 -17.602 -0.788 1.052 103 HZ3 TRP 13 HZ3 TRP 13 -17.517 -1.922 5.155 104 HH2 TRP 13 HH2 TRP 13 -17.804 -0.229 3.433 105 H CYS 14 HN CYS 14 -13.057 -8.276 2.430 106 HA CYS 14 HA CYS 14 -12.385 -7.564 -0.225 107 HB2 CYS 14 HB2 CYS 14 -11.425 -5.629 0.933 108 HB3 CYS 14 HB1 CYS 14 -10.585 -6.695 2.049 109 H GLY 15 HN GLY 15 -10.740 -8.951 -0.993 110 HA2 GLY 15 HA2 GLY 15 -9.865 -11.068 0.849 111 HA3 GLY 15 HA1 GLY 15 -10.598 -11.490 -0.696 112 H TYR 16 HN TYR 16 -9.493 -9.561 -2.336 113 HA TYR 16 HA TYR 16 -7.076 -10.793 -3.030 114 HB2 TYR 16 HB2 TYR 16 -8.649 -9.702 -4.622 115 HB3 TYR 16 HB1 TYR 16 -8.184 -8.136 -3.980 116 HD1 TYR 16 HD2 TYR 16 -6.612 -11.170 -5.475 117 HD2 TYR 16 HD1 TYR 16 -6.573 -6.939 -5.158 118 HE1 TYR 16 HE2 TYR 16 -4.804 -11.075 -7.124 119 HE2 TYR 16 HE1 TYR 16 -4.750 -6.830 -6.816 120 HH TYR 16 HH TYR 16 -3.770 -9.658 -8.590 121 H CYS 17 HN CYS 17 -7.766 -7.906 -1.161 122 HA CYS 17 HA CYS 17 -5.232 -6.761 -1.285 123 HB2 CYS 17 HB2 CYS 17 -5.926 -5.578 0.873 124 HB3 CYS 17 HB1 CYS 17 -7.016 -5.361 -0.489 125 H LEU 18 HN LEU 18 -6.636 -9.245 0.744 126 HA LEU 18 HA LEU 18 -4.898 -9.195 2.924 127 HB2 LEU 18 HB2 LEU 18 -6.511 -11.457 1.816 128 HB3 LEU 18 HB1 LEU 18 -5.750 -11.437 3.393 129 HG LEU 18 HG LEU 18 -7.949 -9.581 2.472 130 HD11 LEU 18 HD11 LEU 18 -7.873 -11.801 4.442 131 HD12 LEU 18 HD12 LEU 18 -8.673 -11.832 2.861 132 HD13 LEU 18 HD13 LEU 18 -9.267 -10.754 4.146 133 HD21 LEU 18 HD21 LEU 18 -6.464 -8.428 4.026 134 HD22 LEU 18 HD22 LEU 18 -6.552 -9.792 5.142 135 HD23 LEU 18 HD23 LEU 18 -7.990 -8.828 4.818 136 H ARG 19 HN ARG 19 -4.807 -11.006 -0.080 137 HA ARG 19 HA ARG 19 -2.661 -12.717 0.473 138 HB2 ARG 19 HB2 ARG 19 -4.101 -13.055 -1.438 139 HB3 ARG 19 HB1 ARG 19 -3.606 -11.524 -2.130 140 HG2 ARG 19 HG2 ARG 19 -2.568 -13.369 -3.339 141 HG3 ARG 19 HG1 ARG 19 -1.345 -12.442 -2.486 142 HD2 ARG 19 HD2 ARG 19 -2.550 -14.913 -1.306 143 HD3 ARG 19 HD1 ARG 19 -1.236 -15.014 -2.471 144 HE ARG 19 HE ARG 19 -0.614 -13.222 -0.375 145 HH11 ARG 19 HH11 ARG 19 -0.814 -16.698 -1.101 146 HH12 ARG 19 HH12 ARG 19 0.375 -17.116 0.041 147 HH21 ARG 19 HH21 ARG 19 1.029 -13.880 1.201 148 HH22 ARG 19 HH22 ARG 19 1.382 -15.519 1.349 149 H LEU 20 HN LEU 20 -2.701 -9.483 -0.930 150 HA LEU 20 HA LEU 20 0.103 -9.444 -1.308 151 HB2 LEU 20 HB2 LEU 20 -1.271 -8.131 -2.780 152 HB3 LEU 20 HB1 LEU 20 -2.001 -7.289 -1.439 153 HG LEU 20 HG LEU 20 0.330 -6.294 -1.025 154 HD11 LEU 20 HD11 LEU 20 1.662 -5.994 -3.093 155 HD12 LEU 20 HD12 LEU 20 0.808 -7.346 -3.812 156 HD13 LEU 20 HD13 LEU 20 1.819 -7.573 -2.372 157 HD21 LEU 20 HD21 LEU 20 -1.233 -5.566 -3.476 158 HD22 LEU 20 HD22 LEU 20 -0.054 -4.522 -2.665 159 HD23 LEU 20 HD23 LEU 20 -1.531 -5.002 -1.831 160 H LYS 21 HN LYS 21 -2.127 -8.224 1.103 161 HA LYS 21 HA LYS 21 -0.392 -6.508 2.479 162 HB2 LYS 21 HB2 LYS 21 -2.993 -6.868 2.624 163 HB3 LYS 21 HB1 LYS 21 -2.562 -7.989 3.908 164 HG2 LYS 21 HG2 LYS 21 -1.374 -6.166 5.060 165 HG3 LYS 21 HG1 LYS 21 -1.891 -5.058 3.789 166 HD2 LYS 21 HD2 LYS 21 -3.427 -4.735 5.545 167 HD3 LYS 21 HD1 LYS 21 -4.267 -5.759 4.378 168 HE2 LYS 21 HE2 LYS 21 -4.696 -6.623 6.560 169 HE3 LYS 21 HE1 LYS 21 -3.596 -7.736 5.751 170 HZ1 LYS 21 HZ1 LYS 21 -2.876 -7.351 8.011 171 HZ2 LYS 21 HZ2 LYS 21 -2.896 -5.685 7.774 172 HZ3 LYS 21 HZ3 LYS 21 -1.737 -6.613 6.994 173 H THR 22 HN THR 22 -1.172 -9.956 2.999 174 HA THR 22 HA THR 22 0.567 -10.146 5.230 175 HB THR 22 HB THR 22 -1.324 -11.737 4.966 176 HG1 THR 22 HG1 THR 22 0.844 -12.298 5.988 177 HG21 THR 22 HG21 THR 22 -1.181 -13.605 3.378 178 HG22 THR 22 HG22 THR 22 0.288 -12.905 2.694 179 HG23 THR 22 HG23 THR 22 -1.247 -12.053 2.537 180 H ALA 23 HN ALA 23 1.029 -10.388 1.804 181 HA ALA 23 HA ALA 23 3.575 -11.702 1.821 182 HB1 ALA 23 HB1 ALA 23 2.416 -9.805 -0.219 183 HB2 ALA 23 HB2 ALA 23 2.159 -11.551 -0.208 184 HB3 ALA 23 HB3 ALA 23 3.778 -10.897 -0.470 185 H LEU 24 HN LEU 24 2.586 -8.341 1.897 186 HA LEU 24 HA LEU 24 5.249 -7.366 1.879 187 HB2 LEU 24 HB2 LEU 24 2.706 -6.069 2.818 188 HB3 LEU 24 HB1 LEU 24 4.225 -5.217 2.588 189 HG LEU 24 HG LEU 24 2.636 -6.613 0.468 190 HD11 LEU 24 HD11 LEU 24 3.019 -3.677 1.006 191 HD12 LEU 24 HD12 LEU 24 1.534 -4.614 1.211 192 HD13 LEU 24 HD13 LEU 24 2.196 -4.358 -0.400 193 HD21 LEU 24 HD21 LEU 24 4.156 -5.561 -1.132 194 HD22 LEU 24 HD22 LEU 24 5.008 -6.660 -0.046 195 HD23 LEU 24 HD23 LEU 24 5.098 -4.914 0.207 196 H THR 25 HN THR 25 3.032 -8.275 4.425 197 HA THR 25 HA THR 25 4.603 -7.353 6.579 198 HB THR 25 HB THR 25 2.696 -9.719 6.567 199 HG1 THR 25 HG1 THR 25 1.561 -7.938 5.816 200 HG21 THR 25 HG21 THR 25 2.377 -9.140 8.946 201 HG22 THR 25 HG22 THR 25 3.559 -7.844 8.792 202 HG23 THR 25 HG23 THR 25 4.064 -9.525 8.614 203 H ALA 26 HN ALA 26 4.430 -10.482 4.882 204 HA ALA 26 HA ALA 26 6.467 -11.785 6.344 205 HB1 ALA 26 HB1 ALA 26 5.557 -12.278 3.505 206 HB2 ALA 26 HB2 ALA 26 4.838 -12.989 4.948 207 HB3 ALA 26 HB3 ALA 26 6.497 -13.390 4.499 208 H ASN 27 HN ASN 27 6.493 -9.665 3.606 209 HA ASN 27 HA ASN 27 9.298 -9.996 3.113 210 HB2 ASN 27 HB2 ASN 27 7.124 -8.391 1.996 211 HB3 ASN 27 HB1 ASN 27 8.760 -7.740 1.707 212 HD21 ASN 27 HD21 ASN 27 7.604 -11.079 1.832 213 HD22 ASN 27 HD22 ASN 27 7.978 -11.480 0.191 214 H ARG 28 HN ARG 28 7.698 -8.605 5.544 215 HA ARG 28 HA ARG 28 8.323 -7.451 7.342 216 HB2 ARG 28 HB2 ARG 28 11.088 -7.346 6.106 217 HB3 ARG 28 HB1 ARG 28 10.693 -7.011 7.786 218 HG2 ARG 28 HG2 ARG 28 10.445 -9.671 6.375 219 HG3 ARG 28 HG1 ARG 28 11.628 -9.241 7.611 220 HD2 ARG 28 HD2 ARG 28 9.798 -8.937 9.224 221 HD3 ARG 28 HD1 ARG 28 8.634 -9.388 7.987 222 HE ARG 28 HE ARG 28 10.447 -11.462 8.151 223 HH11 ARG 28 HH11 ARG 28 8.117 -9.932 10.373 224 HH12 ARG 28 HH12 ARG 28 7.849 -11.364 11.250 225 HH21 ARG 28 HH21 ARG 28 10.052 -13.369 9.360 226 HH22 ARG 28 HH22 ARG 28 8.946 -13.360 10.667 227 H ILE 29 HN ILE 29 7.288 -6.185 5.016 228 HA ILE 29 HA ILE 29 8.469 -3.557 4.993 229 HB ILE 29 HB ILE 29 6.106 -4.737 3.444 230 HG12 ILE 29 HG12 ILE 29 8.922 -3.967 2.617 231 HG13 ILE 29 HG11 ILE 29 8.346 -5.603 2.881 232 HG21 ILE 29 HG21 ILE 29 7.363 -1.998 3.224 233 HG22 ILE 29 HG22 ILE 29 5.730 -2.360 3.781 234 HG23 ILE 29 HG23 ILE 29 6.183 -2.689 2.110 235 HD11 ILE 29 HD11 ILE 29 8.486 -4.991 0.521 236 HD12 ILE 29 HD12 ILE 29 7.270 -3.732 0.784 237 HD13 ILE 29 HD13 ILE 29 6.862 -5.434 1.026 238 H ALA 30 HN ALA 30 7.859 -1.986 6.315 239 HA ALA 30 HA ALA 30 5.631 -2.340 8.107 240 HB1 ALA 30 HB1 ALA 30 7.722 -1.395 8.951 241 HB2 ALA 30 HB2 ALA 30 6.392 -0.250 9.116 242 HB3 ALA 30 HB3 ALA 30 7.568 -0.052 7.820 243 H TYR 31 HN TYR 31 3.667 -1.747 7.603 244 HA TYR 31 HA TYR 31 3.252 0.671 6.024 245 HB2 TYR 31 HB2 TYR 31 1.464 -0.452 4.759 246 HB3 TYR 31 HB1 TYR 31 3.008 -1.247 4.490 247 HD1 TYR 31 HD2 TYR 31 -0.278 -1.552 6.172 248 HD2 TYR 31 HD1 TYR 31 3.347 -3.530 5.141 249 HE1 TYR 31 HE2 TYR 31 -1.274 -3.692 6.826 250 HE2 TYR 31 HE1 TYR 31 2.352 -5.679 5.781 251 HH TYR 31 HH TYR 31 0.615 -6.555 7.111 252 H ASP 32 HN ASP 32 1.066 1.515 6.369 253 HA ASP 32 HA ASP 32 -0.231 0.376 8.731 254 HB2 ASP 32 HB2 ASP 32 -1.020 2.563 9.393 255 HB3 ASP 32 HB1 ASP 32 0.704 2.697 9.123 256 H GLU 33 HN GLU 33 -2.410 0.034 8.585 257 HA GLU 33 HA GLU 33 -3.428 0.167 5.846 258 HB2 GLU 33 HB2 GLU 33 -5.042 -1.656 6.672 259 HB3 GLU 33 HB1 GLU 33 -3.358 -2.104 6.469 260 HG2 GLU 33 HG2 GLU 33 -3.079 -1.710 8.940 261 HG3 GLU 33 HG1 GLU 33 -4.833 -1.578 9.034 262 H VAL 34 HN VAL 34 -5.415 1.038 5.395 263 HA VAL 34 HA VAL 34 -6.096 3.062 7.379 264 HB VAL 34 HB VAL 34 -6.942 3.104 4.479 265 HG11 VAL 34 HG11 VAL 34 -7.250 5.487 4.814 266 HG12 VAL 34 HG12 VAL 34 -6.883 5.291 6.531 267 HG13 VAL 34 HG13 VAL 34 -8.305 4.505 5.828 268 HG21 VAL 34 HG21 VAL 34 -4.512 3.059 4.645 269 HG22 VAL 34 HG22 VAL 34 -4.563 4.397 5.791 270 HG23 VAL 34 HG23 VAL 34 -5.087 4.640 4.124 271 H ASP 35 HN ASP 35 -7.841 3.482 8.203 272 HA ASP 35 HA ASP 35 -9.971 1.827 8.718 273 HB2 ASP 35 HB2 ASP 35 -9.625 4.763 9.207 274 HB3 ASP 35 HB1 ASP 35 -10.941 3.792 9.861 275 H ILE 36 HN ILE 36 -9.777 3.028 5.747 276 HA ILE 36 HA ILE 36 -11.536 5.078 5.229 277 HB ILE 36 HB ILE 36 -11.884 4.262 2.937 278 HG12 ILE 36 HG12 ILE 36 -10.162 1.937 3.703 279 HG13 ILE 36 HG11 ILE 36 -11.921 1.811 3.617 280 HG21 ILE 36 HG21 ILE 36 -9.573 4.356 2.245 281 HG22 ILE 36 HG22 ILE 36 -9.057 4.063 3.908 282 HG23 ILE 36 HG23 ILE 36 -9.921 5.548 3.498 283 HD11 ILE 36 HD11 ILE 36 -10.069 2.503 1.323 284 HD12 ILE 36 HD12 ILE 36 -11.823 2.400 1.218 285 HD13 ILE 36 HD13 ILE 36 -10.885 0.960 1.568 286 H GLU 37 HN GLU 37 -12.709 1.814 5.828 287 HA GLU 37 HA GLU 37 -15.241 2.351 4.665 288 HB2 GLU 37 HB2 GLU 37 -16.001 0.331 5.821 289 HB3 GLU 37 HB1 GLU 37 -14.465 0.123 4.984 290 HG2 GLU 37 HG2 GLU 37 -13.282 0.354 7.119 291 HG3 GLU 37 HG1 GLU 37 -14.839 0.469 7.942 292 H HIS 38 HN HIS 38 -13.790 3.132 7.669 293 HA HIS 38 HA HIS 38 -16.322 4.213 8.729 294 HB2 HIS 38 HB2 HIS 38 -13.746 3.587 10.207 295 HB3 HIS 38 HB1 HIS 38 -15.229 4.185 10.933 296 HD1 HIS 38 HD1 HIS 38 -13.415 1.139 10.504 297 HD2 HIS 38 HD2 HIS 38 -17.432 2.196 10.476 298 HE1 HIS 38 HE1 HIS 38 -14.697 -0.988 10.877 299 H ASN 39 HN ASN 39 -13.963 5.143 6.853 300 HA ASN 39 HA ASN 39 -13.917 7.840 7.916 301 HB2 ASN 39 HB2 ASN 39 -11.846 6.821 8.822 302 HB3 ASN 39 HB1 ASN 39 -11.350 6.397 7.190 303 HD21 ASN 39 HD21 ASN 39 -10.478 7.959 5.894 304 HD22 ASN 39 HD22 ASN 39 -10.052 9.539 6.475 305 H ARG 40 HN ARG 40 -15.153 8.495 6.330 306 HA ARG 40 HA ARG 40 -14.986 7.617 3.668 307 HB2 ARG 40 HB2 ARG 40 -16.658 9.306 3.156 308 HB3 ARG 40 HB1 ARG 40 -17.069 8.373 4.588 309 HG2 ARG 40 HG2 ARG 40 -16.417 10.189 6.020 310 HG3 ARG 40 HG1 ARG 40 -15.836 11.114 4.635 311 HD2 ARG 40 HD2 ARG 40 -18.671 10.232 5.108 312 HD3 ARG 40 HD1 ARG 40 -18.030 11.863 5.364 313 HE ARG 40 HE ARG 40 -17.423 11.293 2.760 314 HH11 ARG 40 HH11 ARG 40 -20.452 11.294 4.591 315 HH12 ARG 40 HH12 ARG 40 -21.395 11.802 3.270 316 HH21 ARG 40 HH21 ARG 40 -18.672 11.881 0.980 317 HH22 ARG 40 HH22 ARG 40 -20.357 12.101 1.110 318 H ALA 41 HN ALA 41 -13.480 10.331 5.272 319 HA ALA 41 HA ALA 41 -12.989 11.965 3.059 320 HB1 ALA 41 HB1 ALA 41 -11.211 12.979 4.384 321 HB2 ALA 41 HB2 ALA 41 -11.248 11.603 5.493 322 HB3 ALA 41 HB3 ALA 41 -12.648 12.670 5.359 323 H ALA 42 HN ALA 42 -11.237 9.219 4.264 324 HA ALA 42 HA ALA 42 -9.238 9.488 2.180 325 HB1 ALA 42 HB1 ALA 42 -8.486 8.727 4.351 326 HB2 ALA 42 HB2 ALA 42 -8.232 7.448 3.157 327 HB3 ALA 42 HB3 ALA 42 -9.589 7.360 4.287 328 H ALA 43 HN ALA 43 -12.153 7.680 2.832 329 HA ALA 43 HA ALA 43 -11.806 5.608 0.935 330 HB1 ALA 43 HB1 ALA 43 -13.496 5.564 2.770 331 HB2 ALA 43 HB2 ALA 43 -14.153 5.171 1.184 332 HB3 ALA 43 HB3 ALA 43 -14.422 6.771 1.872 333 H GLU 44 HN GLU 44 -13.368 8.768 0.715 334 HA GLU 44 HA GLU 44 -14.166 8.431 -1.967 335 HB2 GLU 44 HB2 GLU 44 -13.840 10.942 -0.291 336 HB3 GLU 44 HB1 GLU 44 -14.583 10.916 -1.888 337 HG2 GLU 44 HG2 GLU 44 -16.350 9.454 -1.102 338 HG3 GLU 44 HG1 GLU 44 -15.573 9.303 0.464 339 H PHE 45 HN PHE 45 -11.233 9.496 -0.464 340 HA PHE 45 HA PHE 45 -9.950 10.561 -2.765 341 HB2 PHE 45 HB2 PHE 45 -9.038 11.094 -0.590 342 HB3 PHE 45 HB1 PHE 45 -8.857 9.393 -0.192 343 HD1 PHE 45 HD1 PHE 45 -7.597 12.036 -2.475 344 HD2 PHE 45 HD2 PHE 45 -6.861 8.276 -0.630 345 HE1 PHE 45 HE1 PHE 45 -5.286 12.072 -3.312 346 HE2 PHE 45 HE2 PHE 45 -4.550 8.312 -1.461 347 HZ PHE 45 HZ PHE 45 -3.758 10.214 -2.803 348 H VAL 46 HN VAL 46 -10.078 7.366 -1.320 349 HA VAL 46 HA VAL 46 -8.317 5.923 -2.882 350 HB VAL 46 HB VAL 46 -10.995 5.055 -1.747 351 HG11 VAL 46 HG11 VAL 46 -8.759 3.368 -2.822 352 HG12 VAL 46 HG12 VAL 46 -10.358 3.536 -3.525 353 HG13 VAL 46 HG13 VAL 46 -10.166 2.748 -1.950 354 HG21 VAL 46 HG21 VAL 46 -9.388 5.783 -0.085 355 HG22 VAL 46 HG22 VAL 46 -8.186 4.677 -0.751 356 HG23 VAL 46 HG23 VAL 46 -9.647 4.042 0.005 357 H GLY 47 HN GLY 47 -11.728 6.524 -3.486 358 HA2 GLY 47 HA2 GLY 47 -11.860 5.154 -5.945 359 HA3 GLY 47 HA1 GLY 47 -12.994 6.380 -5.403 360 H SER 48 HN SER 48 -10.905 8.400 -5.140 361 HA SER 48 HA SER 48 -11.135 9.501 -7.712 362 HB2 SER 48 HB2 SER 48 -11.006 10.832 -5.604 363 HB3 SER 48 HB1 SER 48 -9.317 10.365 -5.447 364 HG SER 48 HG SER 48 -8.834 11.888 -6.714 365 H VAL 49 HN VAL 49 -8.564 7.668 -6.126 366 HA VAL 49 HA VAL 49 -6.798 8.177 -8.393 367 HB VAL 49 HB VAL 49 -5.009 7.051 -7.121 368 HG11 VAL 49 HG11 VAL 49 -5.282 9.446 -6.892 369 HG12 VAL 49 HG12 VAL 49 -4.750 8.749 -5.361 370 HG13 VAL 49 HG13 VAL 49 -6.436 9.214 -5.582 371 HG21 VAL 49 HG21 VAL 49 -6.351 5.467 -5.822 372 HG22 VAL 49 HG22 VAL 49 -7.070 6.802 -4.921 373 HG23 VAL 49 HG23 VAL 49 -5.347 6.453 -4.756 374 H ASN 50 HN ASN 50 -9.024 5.896 -7.491 375 HA ASN 50 HA ASN 50 -7.719 3.752 -9.006 376 HB2 ASN 50 HB2 ASN 50 -10.364 3.749 -7.544 377 HB3 ASN 50 HB1 ASN 50 -9.712 2.386 -8.421 378 HD21 ASN 50 HD21 ASN 50 -6.923 2.883 -7.379 379 HD22 ASN 50 HD22 ASN 50 -7.023 2.358 -5.746 380 H GLY 51 HN GLY 51 -10.762 5.596 -8.999 381 HA2 GLY 51 HA2 GLY 51 -11.313 6.450 -11.287 382 HA3 GLY 51 HA1 GLY 51 -11.228 4.757 -11.765 383 H GLY 52 HN GLY 52 -13.323 4.313 -12.208 384 HA2 GLY 52 HA2 GLY 52 -15.450 5.198 -10.459 385 HA3 GLY 52 HA1 GLY 52 -15.622 4.187 -11.890 386 H ASN 53 HN ASN 53 -13.419 2.490 -10.767 387 HA ASN 53 HA ASN 53 -15.125 0.801 -9.067 388 HB2 ASN 53 HB2 ASN 53 -14.214 -0.234 -11.111 389 HB3 ASN 53 HB1 ASN 53 -12.585 0.174 -10.592 390 HD21 ASN 53 HD21 ASN 53 -11.841 -1.899 -10.503 391 HD22 ASN 53 HD22 ASN 53 -12.408 -3.076 -9.375 392 H ARG 54 HN ARG 54 -14.732 1.071 -6.924 393 HA ARG 54 HA ARG 54 -12.256 2.144 -5.953 394 HB2 ARG 54 HB2 ARG 54 -14.349 2.475 -4.651 395 HB3 ARG 54 HB1 ARG 54 -14.439 0.735 -4.363 396 HG2 ARG 54 HG2 ARG 54 -12.310 0.895 -3.141 397 HG3 ARG 54 HG1 ARG 54 -12.343 2.641 -3.405 398 HD2 ARG 54 HD2 ARG 54 -14.439 1.057 -1.930 399 HD3 ARG 54 HD1 ARG 54 -13.185 2.046 -1.184 400 HE ARG 54 HE ARG 54 -14.463 3.774 -2.840 401 HH11 ARG 54 HH11 ARG 54 -15.601 1.632 -0.243 402 HH12 ARG 54 HH12 ARG 54 -16.924 2.656 0.140 403 HH21 ARG 54 HH21 ARG 54 -16.290 5.110 -2.272 404 HH22 ARG 54 HH22 ARG 54 -17.308 4.639 -0.992 405 H THR 55 HN THR 55 -10.452 1.070 -5.849 406 HA THR 55 HA THR 55 -10.499 -1.845 -5.870 407 HB THR 55 HB THR 55 -8.268 0.123 -6.415 408 HG1 THR 55 HG1 THR 55 -10.269 -0.069 -7.848 409 HG21 THR 55 HG21 THR 55 -7.477 -2.073 -5.762 410 HG22 THR 55 HG22 THR 55 -7.205 -1.835 -7.489 411 HG23 THR 55 HG23 THR 55 -8.560 -2.835 -6.927 412 H VAL 56 HN VAL 56 -9.628 -2.944 -4.086 413 HA VAL 56 HA VAL 56 -9.326 -1.284 -1.806 414 HB VAL 56 HB VAL 56 -8.756 -4.226 -1.763 415 HG11 VAL 56 HG11 VAL 56 -9.058 -3.941 0.652 416 HG12 VAL 56 HG12 VAL 56 -9.493 -2.252 0.382 417 HG13 VAL 56 HG13 VAL 56 -7.858 -2.762 0.073 418 HG21 VAL 56 HG21 VAL 56 -10.934 -4.437 -0.928 419 HG22 VAL 56 HG22 VAL 56 -10.978 -3.642 -2.547 420 HG23 VAL 56 HG23 VAL 56 -11.134 -2.680 -1.045 421 HA PRO 57 HA PRO 57 -5.465 -2.782 -1.187 422 HB2 PRO 57 HB2 PRO 57 -3.615 -4.240 -2.592 423 HB3 PRO 57 HB1 PRO 57 -4.890 -4.891 -1.559 424 HG2 PRO 57 HG2 PRO 57 -4.877 -4.551 -4.525 425 HG3 PRO 57 HG1 PRO 57 -5.568 -5.865 -3.555 426 HD2 PRO 57 HD2 PRO 57 -6.984 -3.730 -4.617 427 HD3 PRO 57 HD1 PRO 57 -7.483 -4.822 -3.295 428 H THR 58 HN THR 58 -5.545 -0.578 -2.120 429 HA THR 58 HA THR 58 -3.790 0.314 -4.204 430 HB THR 58 HB THR 58 -5.734 1.574 -2.315 431 HG1 THR 58 HG1 THR 58 -7.151 0.761 -3.711 432 HG21 THR 58 HG21 THR 58 -5.694 3.547 -3.827 433 HG22 THR 58 HG22 THR 58 -4.455 2.760 -4.794 434 HG23 THR 58 HG23 THR 58 -4.097 3.248 -3.128 435 H VAL 59 HN VAL 59 -1.778 0.838 -3.596 436 HA VAL 59 HA VAL 59 -1.293 1.279 -0.751 437 HB VAL 59 HB VAL 59 -0.066 -0.642 -1.793 438 HG11 VAL 59 HG11 VAL 59 0.161 0.073 -3.983 439 HG12 VAL 59 HG12 VAL 59 1.775 -0.216 -3.302 440 HG13 VAL 59 HG13 VAL 59 1.130 1.443 -3.468 441 HG21 VAL 59 HG21 VAL 59 1.722 1.608 -0.897 442 HG22 VAL 59 HG22 VAL 59 2.143 -0.099 -0.918 443 HG23 VAL 59 HG23 VAL 59 0.900 0.482 0.167 444 H LYS 60 HN LYS 60 -0.381 3.092 -0.062 445 HA LYS 60 HA LYS 60 0.280 5.147 -2.030 446 HB2 LYS 60 HB2 LYS 60 -1.732 5.747 -0.806 447 HB3 LYS 60 HB1 LYS 60 -0.944 5.405 0.730 448 HG2 LYS 60 HG2 LYS 60 0.499 7.333 0.389 449 HG3 LYS 60 HG1 LYS 60 -0.219 7.604 -1.196 450 HD2 LYS 60 HD2 LYS 60 -2.415 7.939 -0.171 451 HD3 LYS 60 HD1 LYS 60 -1.720 7.645 1.420 452 HE2 LYS 60 HE2 LYS 60 -0.833 9.835 -0.422 453 HE3 LYS 60 HE1 LYS 60 -2.074 10.049 0.813 454 HZ1 LYS 60 HZ1 LYS 60 0.156 10.766 1.561 455 HZ2 LYS 60 HZ2 LYS 60 0.740 9.199 1.401 456 HZ3 LYS 60 HZ3 LYS 60 -0.452 9.528 2.508 457 H PHE 61 HN PHE 61 2.293 5.611 -2.051 458 HA PHE 61 HA PHE 61 4.056 4.749 0.054 459 HB2 PHE 61 HB2 PHE 61 4.547 5.994 -2.657 460 HB3 PHE 61 HB1 PHE 61 5.846 5.631 -1.523 461 HD1 PHE 61 HD1 PHE 61 3.181 4.104 -3.627 462 HD2 PHE 61 HD2 PHE 61 6.629 3.423 -1.211 463 HE1 PHE 61 HE1 PHE 61 3.271 1.732 -4.385 464 HE2 PHE 61 HE2 PHE 61 6.704 1.126 -1.962 465 HZ PHE 61 HZ PHE 61 5.032 0.271 -3.569 466 H ALA 62 HN ALA 62 5.703 6.214 0.848 467 HA ALA 62 HA ALA 62 4.677 8.168 2.429 468 HB1 ALA 62 HB1 ALA 62 6.944 8.779 2.972 469 HB2 ALA 62 HB2 ALA 62 7.529 8.006 1.499 470 HB3 ALA 62 HB3 ALA 62 6.812 7.032 2.781 471 H ASP 63 HN ASP 63 5.888 8.700 -0.850 472 HA ASP 63 HA ASP 63 5.902 11.577 -0.401 473 HB2 ASP 63 HB2 ASP 63 7.074 11.807 -2.406 474 HB3 ASP 63 HB1 ASP 63 7.636 10.251 -1.812 475 H GLY 64 HN GLY 64 3.593 9.328 -1.212 476 HA2 GLY 64 HA2 GLY 64 1.350 10.134 -1.562 477 HA3 GLY 64 HA1 GLY 64 2.017 11.422 -2.551 478 H SER 65 HN SER 65 3.656 8.685 -3.426 479 HA SER 65 HA SER 65 2.206 8.393 -5.877 480 HB2 SER 65 HB2 SER 65 4.340 6.578 -4.705 481 HB3 SER 65 HB1 SER 65 3.818 6.629 -6.385 482 HG SER 65 HG SER 65 5.247 8.567 -4.907 483 H THR 66 HN THR 66 0.426 7.095 -6.222 484 HA THR 66 HA THR 66 -0.075 4.998 -4.231 485 HB THR 66 HB THR 66 -2.464 5.206 -4.946 486 HG1 THR 66 HG1 THR 66 -1.932 6.126 -6.978 487 HG21 THR 66 HG21 THR 66 -2.918 7.349 -3.810 488 HG22 THR 66 HG22 THR 66 -1.215 7.787 -3.955 489 HG23 THR 66 HG23 THR 66 -1.693 6.419 -2.949 490 H LEU 67 HN LEU 67 -0.389 2.978 -4.973 491 HA LEU 67 HA LEU 67 -0.443 2.568 -7.870 492 HB2 LEU 67 HB2 LEU 67 1.243 1.208 -5.804 493 HB3 LEU 67 HB1 LEU 67 0.664 0.261 -7.150 494 HG LEU 67 HG LEU 67 1.818 1.765 -8.710 495 HD11 LEU 67 HD11 LEU 67 2.922 3.223 -6.317 496 HD12 LEU 67 HD12 LEU 67 1.848 3.835 -7.557 497 HD13 LEU 67 HD13 LEU 67 3.484 3.363 -7.981 498 HD21 LEU 67 HD21 LEU 67 3.595 0.564 -6.592 499 HD22 LEU 67 HD22 LEU 67 4.115 1.066 -8.198 500 HD23 LEU 67 HD23 LEU 67 2.944 -0.234 -8.023 501 H THR 68 HN THR 68 -2.206 1.696 -8.515 502 HA THR 68 HA THR 68 -4.036 0.420 -6.684 503 HB THR 68 HB THR 68 -4.243 1.099 -9.628 504 HG1 THR 68 HG1 THR 68 -4.379 3.049 -8.845 505 HG21 THR 68 HG21 THR 68 -6.678 0.887 -9.296 506 HG22 THR 68 HG22 THR 68 -6.398 0.382 -7.628 507 HG23 THR 68 HG23 THR 68 -5.843 -0.630 -8.964 508 H ASN 69 HN ASN 69 -3.757 -1.695 -6.338 509 HA ASN 69 HA ASN 69 -3.268 -3.863 -6.511 510 HB2 ASN 69 HB2 ASN 69 -4.187 -3.447 -9.353 511 HB3 ASN 69 HB1 ASN 69 -3.647 -5.014 -8.767 512 HD21 ASN 69 HD21 ASN 69 -6.185 -4.309 -9.815 513 HD22 ASN 69 HD22 ASN 69 -7.351 -4.635 -8.583 514 HA PRO 70 HA PRO 70 0.916 -3.388 -8.342 515 HB2 PRO 70 HB2 PRO 70 2.380 -3.073 -6.168 516 HB3 PRO 70 HB1 PRO 70 1.445 -1.711 -6.798 517 HG2 PRO 70 HG2 PRO 70 0.754 -3.596 -4.571 518 HG3 PRO 70 HG1 PRO 70 0.684 -1.823 -4.577 519 HD2 PRO 70 HD2 PRO 70 -1.520 -3.377 -5.041 520 HD3 PRO 70 HD1 PRO 70 -1.268 -1.772 -5.754 521 H SER 71 HN SER 71 2.938 -4.684 -7.508 522 HA SER 71 HA SER 71 2.101 -7.311 -6.501 523 HB2 SER 71 HB2 SER 71 4.351 -6.600 -8.390 524 HB3 SER 71 HB1 SER 71 3.966 -8.229 -7.821 525 HG SER 71 HG SER 71 2.128 -6.573 -9.196 526 H ALA 72 HN ALA 72 3.614 -8.362 -5.072 527 HA ALA 72 HA ALA 72 4.468 -6.750 -3.005 528 HB1 ALA 72 HB1 ALA 72 5.379 -9.560 -3.569 529 HB2 ALA 72 HB2 ALA 72 3.874 -9.114 -2.768 530 HB3 ALA 72 HB3 ALA 72 5.424 -8.738 -2.011 531 H ASP 73 HN ASP 73 6.527 -8.297 -5.463 532 HA ASP 73 HA ASP 73 8.907 -7.296 -4.249 533 HB2 ASP 73 HB2 ASP 73 8.549 -8.512 -6.997 534 HB3 ASP 73 HB1 ASP 73 10.100 -8.071 -6.303 535 H GLU 74 HN GLU 74 6.732 -6.037 -6.566 536 HA GLU 74 HA GLU 74 8.464 -3.970 -7.478 537 HB2 GLU 74 HB2 GLU 74 5.498 -4.320 -7.532 538 HB3 GLU 74 HB1 GLU 74 6.226 -2.796 -7.969 539 HG2 GLU 74 HG2 GLU 74 6.940 -5.393 -9.295 540 HG3 GLU 74 HG1 GLU 74 5.779 -4.238 -9.946 541 H VAL 75 HN VAL 75 5.970 -4.207 -5.002 542 HA VAL 75 HA VAL 75 6.093 -1.578 -4.173 543 HB VAL 75 HB VAL 75 5.372 -4.032 -2.532 544 HG11 VAL 75 HG11 VAL 75 5.938 -2.166 -1.045 545 HG12 VAL 75 HG12 VAL 75 4.212 -2.512 -0.999 546 HG13 VAL 75 HG13 VAL 75 4.807 -1.127 -1.913 547 HG21 VAL 75 HG21 VAL 75 3.058 -3.360 -2.993 548 HG22 VAL 75 HG22 VAL 75 3.958 -3.694 -4.471 549 HG23 VAL 75 HG23 VAL 75 3.655 -2.028 -3.985 550 H LYS 76 HN LYS 76 7.824 -4.415 -3.094 551 HA LYS 76 HA LYS 76 9.328 -3.308 -1.010 552 HB2 LYS 76 HB2 LYS 76 8.965 -5.718 -1.478 553 HB3 LYS 76 HB1 LYS 76 9.989 -5.537 -2.891 554 HG2 LYS 76 HG2 LYS 76 11.940 -5.232 -1.542 555 HG3 LYS 76 HG1 LYS 76 10.964 -5.081 -0.073 556 HD2 LYS 76 HD2 LYS 76 11.982 -7.325 -0.260 557 HD3 LYS 76 HD1 LYS 76 10.220 -7.393 -0.296 558 HE2 LYS 76 HE2 LYS 76 10.448 -7.395 -2.855 559 HE3 LYS 76 HE1 LYS 76 12.158 -7.691 -2.561 560 HZ1 LYS 76 HZ1 LYS 76 11.655 -9.759 -1.549 561 HZ2 LYS 76 HZ2 LYS 76 10.697 -9.684 -2.970 562 HZ3 LYS 76 HZ3 LYS 76 10.010 -9.384 -1.466 563 H ALA 77 HN ALA 77 10.084 -3.682 -4.477 564 HA ALA 77 HA ALA 77 12.663 -2.519 -4.322 565 HB1 ALA 77 HB1 ALA 77 12.583 -2.445 -6.759 566 HB2 ALA 77 HB2 ALA 77 10.848 -2.769 -6.717 567 HB3 ALA 77 HB3 ALA 77 11.985 -3.994 -6.159 568 H LYS 78 HN LYS 78 9.515 -1.162 -4.496 569 HA LYS 78 HA LYS 78 10.466 1.462 -5.253 570 HB2 LYS 78 HB2 LYS 78 7.786 0.544 -4.220 571 HB3 LYS 78 HB1 LYS 78 8.126 2.194 -4.765 572 HG2 LYS 78 HG2 LYS 78 8.235 -0.309 -6.423 573 HG3 LYS 78 HG1 LYS 78 6.890 0.821 -6.380 574 HD2 LYS 78 HD2 LYS 78 8.254 2.558 -7.297 575 HD3 LYS 78 HD1 LYS 78 9.696 1.535 -7.220 576 HE2 LYS 78 HE2 LYS 78 7.224 0.925 -8.836 577 HE3 LYS 78 HE1 LYS 78 8.697 1.633 -9.489 578 HZ1 LYS 78 HZ1 LYS 78 8.672 -1.003 -8.098 579 HZ2 LYS 78 HZ2 LYS 78 9.898 -0.364 -9.071 580 HZ3 LYS 78 HZ3 LYS 78 8.462 -0.854 -9.744 581 H LEU 79 HN LEU 79 9.454 -0.258 -2.347 582 HA LEU 79 HA LEU 79 9.457 1.798 -0.508 583 HB2 LEU 79 HB2 LEU 79 8.781 -0.632 -0.035 584 HB3 LEU 79 HB1 LEU 79 10.482 -0.994 -0.009 585 HG LEU 79 HG LEU 79 10.676 0.677 1.888 586 HD11 LEU 79 HD11 LEU 79 8.661 0.957 3.267 587 HD12 LEU 79 HD12 LEU 79 7.686 0.340 1.941 588 HD13 LEU 79 HD13 LEU 79 8.566 1.852 1.764 589 HD21 LEU 79 HD21 LEU 79 10.907 -1.696 2.221 590 HD22 LEU 79 HD22 LEU 79 9.157 -1.888 2.247 591 HD23 LEU 79 HD23 LEU 79 9.963 -1.007 3.547 592 H VAL 80 HN VAL 80 12.086 -0.323 -1.512 593 HA VAL 80 HA VAL 80 14.028 0.743 0.183 594 HB VAL 80 HB VAL 80 15.706 -0.385 -1.162 595 HG11 VAL 80 HG11 VAL 80 13.222 -2.061 -0.876 596 HG12 VAL 80 HG12 VAL 80 14.449 -1.781 0.362 597 HG13 VAL 80 HG13 VAL 80 14.847 -2.692 -1.092 598 HG21 VAL 80 HG21 VAL 80 13.515 -0.775 -3.174 599 HG22 VAL 80 HG22 VAL 80 15.063 -1.632 -3.220 600 HG23 VAL 80 HG23 VAL 80 15.015 0.122 -3.399 601 H LYS 81 HN LYS 81 12.983 1.826 -2.972 602 HA LYS 81 HA LYS 81 15.214 3.618 -3.144 603 HB2 LYS 81 HB2 LYS 81 14.363 4.338 -5.300 604 HB3 LYS 81 HB1 LYS 81 14.378 2.593 -5.211 605 HG2 LYS 81 HG2 LYS 81 12.292 2.738 -6.070 606 HG3 LYS 81 HG1 LYS 81 11.843 3.144 -4.420 607 HD2 LYS 81 HD2 LYS 81 10.853 4.761 -5.924 608 HD3 LYS 81 HD1 LYS 81 12.123 5.554 -4.992 609 HE2 LYS 81 HE2 LYS 81 13.666 5.332 -6.880 610 HE3 LYS 81 HE1 LYS 81 12.432 4.472 -7.790 611 HZ1 LYS 81 HZ1 LYS 81 12.204 7.289 -6.870 612 HZ2 LYS 81 HZ2 LYS 81 11.101 6.472 -7.831 613 HZ3 LYS 81 HZ3 LYS 81 12.627 6.820 -8.428 614 H ILE 82 HN ILE 82 11.872 3.832 -2.140 615 HA ILE 82 HA ILE 82 12.052 6.700 -2.051 616 HB ILE 82 HB ILE 82 9.761 6.747 -1.154 617 HG12 ILE 82 HG12 ILE 82 8.432 4.515 -1.238 618 HG13 ILE 82 HG11 ILE 82 9.995 3.731 -1.107 619 HG21 ILE 82 HG21 ILE 82 8.602 5.813 -3.109 620 HG22 ILE 82 HG22 ILE 82 10.096 4.982 -3.555 621 HG23 ILE 82 HG23 ILE 82 10.046 6.740 -3.518 622 HD11 ILE 82 HD11 ILE 82 10.344 4.791 1.064 623 HD12 ILE 82 HD12 ILE 82 8.851 3.853 1.048 624 HD13 ILE 82 HD13 ILE 82 8.791 5.612 0.915 625 H ALA 83 HN ALA 83 12.998 4.254 -0.051 626 HA ALA 83 HA ALA 83 12.825 5.829 2.381 627 HB1 ALA 83 HB1 ALA 83 12.410 3.395 2.444 628 HB2 ALA 83 HB2 ALA 83 13.731 3.882 3.496 629 HB3 ALA 83 HB3 ALA 83 14.079 3.113 1.940 630 H GLY 84 HN GLY 84 14.702 5.958 -0.204 631 HA2 GLY 84 HA2 GLY 84 16.571 7.291 -0.492 632 HA3 GLY 84 HA1 GLY 84 16.834 7.260 1.248 633 H LEU 85 HN LEU 85 18.609 6.266 1.801 634 HA LEU 85 HA LEU 85 19.623 4.137 0.066 635 HB2 LEU 85 HB2 LEU 85 21.021 6.200 0.524 636 HB3 LEU 85 HB1 LEU 85 21.105 5.684 2.192 637 HG LEU 85 HG LEU 85 22.256 3.602 1.435 638 HD11 LEU 85 HD11 LEU 85 22.325 5.026 -1.215 639 HD12 LEU 85 HD12 LEU 85 21.454 3.536 -0.856 640 HD13 LEU 85 HD13 LEU 85 23.216 3.561 -0.812 641 HD21 LEU 85 HD21 LEU 85 23.508 5.490 2.298 642 HD22 LEU 85 HD22 LEU 85 23.566 6.214 0.690 643 HD23 LEU 85 HD23 LEU 85 24.405 4.693 1.007 644 H GLU 86 HN GLU 86 17.795 4.458 2.723 645 HA GLU 86 HA GLU 86 19.067 2.436 4.333 646 HB2 GLU 86 HB2 GLU 86 16.537 4.028 4.735 647 HB3 GLU 86 HB1 GLU 86 17.014 2.717 5.808 648 HG2 GLU 86 HG2 GLU 86 18.606 5.209 5.250 649 HG3 GLU 86 HG1 GLU 86 17.650 4.893 6.698 650 H HIS 87 HN HIS 87 19.046 0.602 3.303 651 HA HIS 87 HA HIS 87 16.605 -0.449 2.080 652 HB2 HIS 87 HB2 HIS 87 19.442 -1.498 2.102 653 HB3 HIS 87 HB1 HIS 87 18.100 -2.267 1.280 654 HD1 HIS 87 HD1 HIS 87 20.351 0.794 1.047 655 HD2 HIS 87 HD2 HIS 87 17.496 -1.254 -1.182 656 HE1 HIS 87 HE1 HIS 87 20.457 1.747 -1.261 657 H HIS 88 HN HIS 88 18.637 -0.886 4.876 658 HA HIS 88 HA HIS 88 17.319 -3.447 5.444 659 HB2 HIS 88 HB2 HIS 88 20.058 -2.551 6.377 660 HB3 HIS 88 HB1 HIS 88 19.314 -4.109 6.691 661 HD1 HIS 88 HD1 HIS 88 19.073 -5.731 4.517 662 HD2 HIS 88 HD2 HIS 88 21.384 -2.310 4.024 663 HE1 HIS 88 HE1 HIS 88 20.377 -6.064 2.395 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 13.260 3.484 11.998 2 H2 MET 1 HT2 MET 1 14.359 2.822 13.064 3 H3 MET 1 HT3 MET 1 12.790 2.186 12.932 4 HA MET 1 HA MET 1 14.774 2.243 10.780 5 HB2 MET 1 HB2 MET 1 13.960 -0.038 12.585 6 HB3 MET 1 HB1 MET 1 14.776 -0.291 11.056 7 HG2 MET 1 HG2 MET 1 16.400 -0.397 12.812 8 HG3 MET 1 HG1 MET 1 16.661 1.073 11.886 9 HE1 MET 1 HE1 MET 1 13.965 0.358 14.734 10 HE2 MET 1 HE2 MET 1 14.857 0.947 16.135 11 HE3 MET 1 HE3 MET 1 15.429 -0.471 15.262 12 H VAL 2 HN VAL 2 12.001 0.115 11.647 13 HA VAL 2 HA VAL 2 11.007 0.857 9.027 14 HB VAL 2 HB VAL 2 11.810 -1.420 8.856 15 HG11 VAL 2 HG11 VAL 2 10.055 -2.086 11.195 16 HG12 VAL 2 HG12 VAL 2 11.817 -2.136 11.128 17 HG13 VAL 2 HG13 VAL 2 10.864 -3.270 10.172 18 HG21 VAL 2 HG21 VAL 2 9.764 -2.606 8.148 19 HG22 VAL 2 HG22 VAL 2 9.812 -0.938 7.578 20 HG23 VAL 2 HG23 VAL 2 8.798 -1.368 8.953 21 H THR 3 HN THR 3 9.560 2.253 9.375 22 HA THR 3 HA THR 3 7.500 1.778 11.396 23 HB THR 3 HB THR 3 8.886 3.850 11.703 24 HG1 THR 3 HG1 THR 3 7.100 4.467 12.523 25 HG21 THR 3 HG21 THR 3 7.735 4.669 9.028 26 HG22 THR 3 HG22 THR 3 9.430 4.324 9.369 27 HG23 THR 3 HG23 THR 3 8.648 5.721 10.110 28 H ALA 4 HN ALA 4 5.359 2.955 10.590 29 HA ALA 4 HA ALA 4 4.645 1.654 8.133 30 HB1 ALA 4 HB1 ALA 4 2.383 2.456 8.557 31 HB2 ALA 4 HB2 ALA 4 2.975 3.497 9.850 32 HB3 ALA 4 HB3 ALA 4 3.063 1.742 10.021 33 H ALA 5 HN ALA 5 5.841 2.614 6.592 34 HA ALA 5 HA ALA 5 5.525 5.479 6.132 35 HB1 ALA 5 HB1 ALA 5 7.328 5.230 4.506 36 HB2 ALA 5 HB2 ALA 5 7.305 3.481 4.736 37 HB3 ALA 5 HB3 ALA 5 7.786 4.539 6.063 38 H LEU 6 HN LEU 6 3.840 2.848 5.391 39 HA LEU 6 HA LEU 6 3.079 3.838 2.719 40 HB2 LEU 6 HB2 LEU 6 2.795 1.038 3.768 41 HB3 LEU 6 HB1 LEU 6 2.351 1.606 2.177 42 HG LEU 6 HG LEU 6 5.118 1.275 3.288 43 HD11 LEU 6 HD11 LEU 6 4.026 -0.762 2.583 44 HD12 LEU 6 HD12 LEU 6 5.328 -0.328 1.474 45 HD13 LEU 6 HD13 LEU 6 3.651 -0.034 1.021 46 HD21 LEU 6 HD21 LEU 6 4.243 2.399 0.641 47 HD22 LEU 6 HD22 LEU 6 5.894 1.972 1.112 48 HD23 LEU 6 HD23 LEU 6 5.051 3.283 1.946 49 H THR 7 HN THR 7 1.004 4.293 2.448 50 HA THR 7 HA THR 7 -0.822 3.656 4.641 51 HB THR 7 HB THR 7 -1.179 5.656 2.388 52 HG1 THR 7 HG1 THR 7 0.401 5.692 4.553 53 HG21 THR 7 HG21 THR 7 -3.245 4.924 3.538 54 HG22 THR 7 HG22 THR 7 -2.874 6.613 3.880 55 HG23 THR 7 HG23 THR 7 -2.531 5.369 5.086 56 H ILE 8 HN ILE 8 -2.042 1.901 4.209 57 HA ILE 8 HA ILE 8 -2.547 1.272 1.405 58 HB ILE 8 HB ILE 8 -2.148 -0.614 3.736 59 HG12 ILE 8 HG12 ILE 8 -0.714 -0.265 1.101 60 HG13 ILE 8 HG11 ILE 8 -0.101 0.164 2.692 61 HG21 ILE 8 HG21 ILE 8 -4.046 -1.400 2.452 62 HG22 ILE 8 HG22 ILE 8 -2.670 -2.477 2.236 63 HG23 ILE 8 HG23 ILE 8 -3.112 -1.347 0.952 64 HD11 ILE 8 HD11 ILE 8 -0.704 -2.608 1.703 65 HD12 ILE 8 HD12 ILE 8 -0.107 -2.198 3.313 66 HD13 ILE 8 HD13 ILE 8 0.894 -1.887 1.894 67 H TYR 9 HN TYR 9 -4.484 1.263 0.787 68 HA TYR 9 HA TYR 9 -6.531 1.792 2.681 69 HB2 TYR 9 HB2 TYR 9 -6.541 1.649 -0.331 70 HB3 TYR 9 HB1 TYR 9 -7.957 2.086 0.616 71 HD1 TYR 9 HD2 TYR 9 -7.930 4.187 1.974 72 HD2 TYR 9 HD1 TYR 9 -4.761 3.247 -0.695 73 HE1 TYR 9 HE2 TYR 9 -7.142 6.518 2.095 74 HE2 TYR 9 HE1 TYR 9 -3.961 5.567 -0.577 75 HH TYR 9 HH TYR 9 -5.085 7.783 1.761 76 H THR 10 HN THR 10 -8.025 0.400 3.474 77 HA THR 10 HA THR 10 -8.196 -2.285 2.354 78 HB THR 10 HB THR 10 -8.090 -3.051 4.800 79 HG1 THR 10 HG1 THR 10 -7.986 -1.223 5.960 80 HG21 THR 10 HG21 THR 10 -6.367 -3.619 3.139 81 HG22 THR 10 HG22 THR 10 -5.634 -3.283 4.710 82 HG23 THR 10 HG23 THR 10 -5.586 -2.067 3.432 83 H THR 11 HN THR 11 -9.885 -3.552 3.847 84 HA THR 11 HA THR 11 -11.963 -1.990 5.043 85 HB THR 11 HB THR 11 -12.630 -3.701 2.539 86 HG1 THR 11 HG1 THR 11 -11.717 -1.193 2.729 87 HG21 THR 11 HG21 THR 11 -14.397 -3.489 4.251 88 HG22 THR 11 HG22 THR 11 -14.783 -2.683 2.717 89 HG23 THR 11 HG23 THR 11 -14.279 -1.730 4.108 90 H SER 12 HN SER 12 -13.454 -3.600 6.255 91 HA SER 12 HA SER 12 -12.116 -5.930 7.163 92 HB2 SER 12 HB2 SER 12 -15.113 -5.402 7.237 93 HB3 SER 12 HB1 SER 12 -14.196 -6.434 8.332 94 HG SER 12 HG SER 12 -14.344 -3.655 8.152 95 H TRP 13 HN TRP 13 -14.936 -5.473 5.079 96 HA TRP 13 HA TRP 13 -14.763 -8.011 3.694 97 HB2 TRP 13 HB2 TRP 13 -16.843 -7.202 3.139 98 HB3 TRP 13 HB1 TRP 13 -16.464 -5.598 3.725 99 HD1 TRP 13 HD1 TRP 13 -15.390 -7.656 0.686 100 HE1 TRP 13 HE1 TRP 13 -15.474 -6.247 -1.293 101 HE3 TRP 13 HE3 TRP 13 -17.285 -3.458 2.874 102 HZ2 TRP 13 HZ2 TRP 13 -16.370 -3.562 -2.016 103 HZ3 TRP 13 HZ3 TRP 13 -17.756 -1.510 1.451 104 HH2 TRP 13 HH2 TRP 13 -17.309 -1.565 -0.947 105 H CYS 14 HN CYS 14 -13.131 -8.696 2.774 106 HA CYS 14 HA CYS 14 -11.619 -7.043 0.978 107 HB2 CYS 14 HB2 CYS 14 -10.705 -6.239 3.051 108 HB3 CYS 14 HB1 CYS 14 -10.478 -7.880 3.667 109 H GLY 15 HN GLY 15 -10.798 -8.321 -0.564 110 HA2 GLY 15 HA2 GLY 15 -10.475 -11.182 0.052 111 HA3 GLY 15 HA1 GLY 15 -11.084 -10.593 -1.493 112 H TYR 16 HN TYR 16 -9.636 -9.234 -2.767 113 HA TYR 16 HA TYR 16 -7.133 -10.527 -3.086 114 HB2 TYR 16 HB2 TYR 16 -8.428 -9.556 -4.983 115 HB3 TYR 16 HB1 TYR 16 -8.100 -7.946 -4.354 116 HD1 TYR 16 HD1 TYR 16 -6.626 -10.883 -6.001 117 HD2 TYR 16 HD2 TYR 16 -5.967 -6.916 -4.690 118 HE1 TYR 16 HE1 TYR 16 -4.560 -10.809 -7.314 119 HE2 TYR 16 HE2 TYR 16 -3.870 -6.813 -5.999 120 HH TYR 16 HH TYR 16 -3.128 -8.949 -8.378 121 H CYS 17 HN CYS 17 -8.133 -7.529 -1.600 122 HA CYS 17 HA CYS 17 -5.697 -6.293 -1.255 123 HB2 CYS 17 HB2 CYS 17 -6.951 -5.457 0.976 124 HB3 CYS 17 HB1 CYS 17 -7.423 -4.850 -0.602 125 H LEU 18 HN LEU 18 -7.206 -8.842 0.619 126 HA LEU 18 HA LEU 18 -5.547 -8.717 2.904 127 HB2 LEU 18 HB2 LEU 18 -7.871 -9.688 2.752 128 HB3 LEU 18 HB1 LEU 18 -7.207 -11.028 1.860 129 HG LEU 18 HG LEU 18 -7.783 -11.506 4.249 130 HD11 LEU 18 HD11 LEU 18 -6.238 -12.963 3.122 131 HD12 LEU 18 HD12 LEU 18 -5.776 -12.758 4.814 132 HD13 LEU 18 HD13 LEU 18 -4.890 -11.906 3.549 133 HD21 LEU 18 HD21 LEU 18 -6.295 -10.718 6.015 134 HD22 LEU 18 HD22 LEU 18 -7.133 -9.383 5.226 135 HD23 LEU 18 HD23 LEU 18 -5.442 -9.708 4.851 136 H ARG 19 HN ARG 19 -5.399 -10.424 -0.114 137 HA ARG 19 HA ARG 19 -3.375 -12.282 0.503 138 HB2 ARG 19 HB2 ARG 19 -4.772 -12.440 -1.517 139 HB3 ARG 19 HB1 ARG 19 -4.019 -10.986 -2.149 140 HG2 ARG 19 HG2 ARG 19 -1.849 -12.155 -2.187 141 HG3 ARG 19 HG1 ARG 19 -2.651 -13.621 -1.625 142 HD2 ARG 19 HD2 ARG 19 -3.219 -12.144 -4.192 143 HD3 ARG 19 HD1 ARG 19 -2.356 -13.675 -4.036 144 HE ARG 19 HE ARG 19 -4.731 -14.144 -2.846 145 HH11 ARG 19 HH11 ARG 19 -3.829 -12.986 -6.051 146 HH12 ARG 19 HH12 ARG 19 -5.190 -13.649 -6.839 147 HH21 ARG 19 HH21 ARG 19 -6.604 -15.052 -3.891 148 HH22 ARG 19 HH22 ARG 19 -6.816 -14.864 -5.561 149 H LEU 20 HN LEU 20 -3.189 -9.090 -1.027 150 HA LEU 20 HA LEU 20 -0.387 -9.122 -1.179 151 HB2 LEU 20 HB2 LEU 20 -1.646 -7.675 -2.644 152 HB3 LEU 20 HB1 LEU 20 -2.354 -6.839 -1.283 153 HG LEU 20 HG LEU 20 0.019 -6.031 -0.759 154 HD11 LEU 20 HD11 LEU 20 0.520 -7.010 -3.560 155 HD12 LEU 20 HD12 LEU 20 1.503 -7.325 -2.103 156 HD13 LEU 20 HD13 LEU 20 1.420 -5.734 -2.793 157 HD21 LEU 20 HD21 LEU 20 -1.695 -4.570 -1.547 158 HD22 LEU 20 HD22 LEU 20 -1.445 -5.125 -3.198 159 HD23 LEU 20 HD23 LEU 20 -0.177 -4.195 -2.372 160 H LYS 21 HN LYS 21 -2.685 -7.885 1.123 161 HA LYS 21 HA LYS 21 -1.057 -6.354 2.774 162 HB2 LYS 21 HB2 LYS 21 -3.572 -6.507 2.717 163 HB3 LYS 21 HB1 LYS 21 -3.433 -8.012 3.602 164 HG2 LYS 21 HG2 LYS 21 -2.456 -6.856 5.471 165 HG3 LYS 21 HG1 LYS 21 -2.475 -5.340 4.568 166 HD2 LYS 21 HD2 LYS 21 -4.936 -5.540 4.381 167 HD3 LYS 21 HD1 LYS 21 -4.861 -6.971 5.414 168 HE2 LYS 21 HE2 LYS 21 -3.953 -4.196 6.161 169 HE3 LYS 21 HE1 LYS 21 -5.476 -4.926 6.638 170 HZ1 LYS 21 HZ1 LYS 21 -2.774 -5.936 7.416 171 HZ2 LYS 21 HZ2 LYS 21 -4.288 -6.573 7.891 172 HZ3 LYS 21 HZ3 LYS 21 -3.847 -5.010 8.349 173 H THR 22 HN THR 22 -1.847 -9.818 2.921 174 HA THR 22 HA THR 22 -0.330 -10.330 5.257 175 HB THR 22 HB THR 22 -1.139 -12.290 3.076 176 HG1 THR 22 HG1 THR 22 -3.001 -11.365 3.819 177 HG21 THR 22 HG21 THR 22 -1.026 -13.968 4.880 178 HG22 THR 22 HG22 THR 22 -0.511 -12.721 6.014 179 HG23 THR 22 HG23 THR 22 0.537 -13.178 4.672 180 H ALA 23 HN ALA 23 0.405 -10.402 1.811 181 HA ALA 23 HA ALA 23 2.991 -11.619 1.943 182 HB1 ALA 23 HB1 ALA 23 1.910 -9.669 -0.082 183 HB2 ALA 23 HB2 ALA 23 1.662 -11.415 -0.142 184 HB3 ALA 23 HB3 ALA 23 3.289 -10.746 -0.298 185 H LEU 24 HN LEU 24 1.951 -8.275 2.056 186 HA LEU 24 HA LEU 24 4.593 -7.269 2.155 187 HB2 LEU 24 HB2 LEU 24 2.019 -6.021 3.088 188 HB3 LEU 24 HB1 LEU 24 3.527 -5.148 2.865 189 HG LEU 24 HG LEU 24 1.846 -6.458 0.737 190 HD11 LEU 24 HD11 LEU 24 1.598 -4.193 -0.114 191 HD12 LEU 24 HD12 LEU 24 2.514 -3.579 1.264 192 HD13 LEU 24 HD13 LEU 24 0.955 -4.365 1.518 193 HD21 LEU 24 HD21 LEU 24 4.188 -6.738 0.177 194 HD22 LEU 24 HD22 LEU 24 4.471 -5.018 0.454 195 HD23 LEU 24 HD23 LEU 24 3.435 -5.537 -0.874 196 H THR 25 HN THR 25 2.284 -8.169 4.638 197 HA THR 25 HA THR 25 3.801 -7.301 6.845 198 HB THR 25 HB THR 25 1.802 -9.599 6.761 199 HG1 THR 25 HG1 THR 25 0.723 -7.817 5.990 200 HG21 THR 25 HG21 THR 25 2.643 -7.745 8.998 201 HG22 THR 25 HG22 THR 25 3.107 -9.440 8.853 202 HG23 THR 25 HG23 THR 25 1.417 -9.006 9.117 203 H ALA 26 HN ALA 26 3.757 -10.323 5.005 204 HA ALA 26 HA ALA 26 5.576 -11.756 6.644 205 HB1 ALA 26 HB1 ALA 26 4.896 -12.152 3.732 206 HB2 ALA 26 HB2 ALA 26 4.022 -12.851 5.094 207 HB3 ALA 26 HB3 ALA 26 5.694 -13.324 4.780 208 H ASN 27 HN ASN 27 5.944 -9.435 4.155 209 HA ASN 27 HA ASN 27 8.777 -10.003 3.764 210 HB2 ASN 27 HB2 ASN 27 6.699 -8.477 2.356 211 HB3 ASN 27 HB1 ASN 27 8.357 -7.859 2.156 212 HD21 ASN 27 HD21 ASN 27 6.039 -10.302 1.458 213 HD22 ASN 27 HD22 ASN 27 6.957 -11.155 0.272 214 H ARG 28 HN ARG 28 7.306 -8.628 6.157 215 HA ARG 28 HA ARG 28 7.813 -7.166 7.818 216 HB2 ARG 28 HB2 ARG 28 10.467 -6.958 6.405 217 HB3 ARG 28 HB1 ARG 28 10.117 -6.184 7.937 218 HG2 ARG 28 HG2 ARG 28 9.658 -8.477 8.855 219 HG3 ARG 28 HG1 ARG 28 10.313 -9.116 7.338 220 HD2 ARG 28 HD2 ARG 28 12.051 -9.008 9.039 221 HD3 ARG 28 HD1 ARG 28 12.390 -7.879 7.720 222 HE ARG 28 HE ARG 28 10.982 -6.886 10.067 223 HH11 ARG 28 HH11 ARG 28 14.060 -6.972 8.277 224 HH12 ARG 28 HH12 ARG 28 14.689 -5.586 9.022 225 HH21 ARG 28 HH21 ARG 28 11.895 -4.988 11.140 226 HH22 ARG 28 HH22 ARG 28 13.438 -4.444 10.668 227 H ILE 29 HN ILE 29 6.615 -6.212 5.324 228 HA ILE 29 HA ILE 29 7.616 -3.508 5.197 229 HB ILE 29 HB ILE 29 5.446 -4.908 3.610 230 HG12 ILE 29 HG12 ILE 29 8.241 -4.034 2.820 231 HG13 ILE 29 HG11 ILE 29 7.780 -5.684 3.214 232 HG21 ILE 29 HG21 ILE 29 6.643 -2.156 3.269 233 HG22 ILE 29 HG22 ILE 29 5.036 -2.504 3.867 234 HG23 ILE 29 HG23 ILE 29 5.455 -2.900 2.192 235 HD11 ILE 29 HD11 ILE 29 7.949 -5.319 0.820 236 HD12 ILE 29 HD12 ILE 29 6.709 -4.063 0.917 237 HD13 ILE 29 HD13 ILE 29 6.306 -5.738 1.294 238 H ALA 30 HN ALA 30 6.882 -2.076 6.518 239 HA ALA 30 HA ALA 30 4.484 -2.582 8.052 240 HB1 ALA 30 HB1 ALA 30 5.239 -0.719 9.424 241 HB2 ALA 30 HB2 ALA 30 6.533 -0.412 8.258 242 HB3 ALA 30 HB3 ALA 30 6.524 -1.911 9.184 243 H TYR 31 HN TYR 31 2.654 -1.603 7.771 244 HA TYR 31 HA TYR 31 2.482 0.784 6.105 245 HB2 TYR 31 HB2 TYR 31 0.538 -0.228 4.925 246 HB3 TYR 31 HB1 TYR 31 2.057 -1.046 4.583 247 HD1 TYR 31 HD1 TYR 31 -1.167 -1.326 6.366 248 HD2 TYR 31 HD2 TYR 31 2.410 -3.327 5.230 249 HE1 TYR 31 HE1 TYR 31 -2.153 -3.472 7.049 250 HE2 TYR 31 HE2 TYR 31 1.434 -5.467 5.917 251 HH TYR 31 HH TYR 31 -0.237 -6.313 7.298 252 H ASP 32 HN ASP 32 0.286 1.682 6.223 253 HA ASP 32 HA ASP 32 -1.002 1.246 8.823 254 HB2 ASP 32 HB2 ASP 32 0.095 3.407 8.777 255 HB3 ASP 32 HB1 ASP 32 -0.599 3.772 7.208 256 H GLU 33 HN GLU 33 -3.029 0.487 8.631 257 HA GLU 33 HA GLU 33 -4.259 0.550 6.000 258 HB2 GLU 33 HB2 GLU 33 -5.769 -1.220 6.839 259 HB3 GLU 33 HB1 GLU 33 -4.091 -1.638 7.025 260 HG2 GLU 33 HG2 GLU 33 -4.203 -0.994 9.418 261 HG3 GLU 33 HG1 GLU 33 -5.930 -0.716 9.216 262 H VAL 34 HN VAL 34 -6.218 1.410 5.564 263 HA VAL 34 HA VAL 34 -6.760 3.725 7.265 264 HB VAL 34 HB VAL 34 -7.728 3.323 4.434 265 HG11 VAL 34 HG11 VAL 34 -7.367 5.834 6.007 266 HG12 VAL 34 HG12 VAL 34 -8.891 5.070 5.563 267 HG13 VAL 34 HG13 VAL 34 -7.841 5.731 4.311 268 HG21 VAL 34 HG21 VAL 34 -5.168 4.605 5.363 269 HG22 VAL 34 HG22 VAL 34 -5.781 4.611 3.708 270 HG23 VAL 34 HG23 VAL 34 -5.311 3.090 4.468 271 H ASP 35 HN ASP 35 -8.801 4.576 7.561 272 HA ASP 35 HA ASP 35 -10.813 2.815 8.555 273 HB2 ASP 35 HB2 ASP 35 -10.670 5.827 8.471 274 HB3 ASP 35 HB1 ASP 35 -11.934 4.918 9.276 275 H ILE 36 HN ILE 36 -10.400 3.725 5.475 276 HA ILE 36 HA ILE 36 -12.506 5.198 4.496 277 HB ILE 36 HB ILE 36 -12.343 4.157 2.319 278 HG12 ILE 36 HG12 ILE 36 -10.328 2.219 3.374 279 HG13 ILE 36 HG11 ILE 36 -12.040 1.804 3.389 280 HG21 ILE 36 HG21 ILE 36 -9.668 4.493 3.635 281 HG22 ILE 36 HG22 ILE 36 -10.677 5.773 2.965 282 HG23 ILE 36 HG23 ILE 36 -9.988 4.550 1.900 283 HD11 ILE 36 HD11 ILE 36 -12.171 2.030 1.000 284 HD12 ILE 36 HD12 ILE 36 -10.834 0.951 1.378 285 HD13 ILE 36 HD13 ILE 36 -10.536 2.642 0.924 286 H GLU 37 HN GLU 37 -12.931 1.947 5.687 287 HA GLU 37 HA GLU 37 -15.139 1.113 4.183 288 HB2 GLU 37 HB2 GLU 37 -13.851 -0.255 5.847 289 HB3 GLU 37 HB1 GLU 37 -14.633 0.666 7.110 290 HG2 GLU 37 HG2 GLU 37 -16.793 -0.179 6.451 291 HG3 GLU 37 HG1 GLU 37 -16.047 -1.105 5.146 292 H HIS 38 HN HIS 38 -15.061 2.825 7.290 293 HA HIS 38 HA HIS 38 -17.826 3.625 6.811 294 HB2 HIS 38 HB2 HIS 38 -17.331 2.685 9.048 295 HB3 HIS 38 HB1 HIS 38 -16.164 3.976 9.325 296 HD1 HIS 38 HD1 HIS 38 -19.922 3.705 8.553 297 HD2 HIS 38 HD2 HIS 38 -17.217 6.097 10.623 298 HE1 HIS 38 HE1 HIS 38 -21.288 5.452 9.728 299 H ASN 39 HN ASN 39 -14.592 4.952 7.154 300 HA ASN 39 HA ASN 39 -15.429 7.688 7.231 301 HB2 ASN 39 HB2 ASN 39 -13.200 7.012 8.055 302 HB3 ASN 39 HB1 ASN 39 -12.730 6.603 6.406 303 HD21 ASN 39 HD21 ASN 39 -11.246 8.133 5.958 304 HD22 ASN 39 HD22 ASN 39 -11.456 9.818 6.147 305 H ARG 40 HN ARG 40 -16.472 8.560 5.625 306 HA ARG 40 HA ARG 40 -16.215 7.592 2.960 307 HB2 ARG 40 HB2 ARG 40 -17.970 9.204 2.389 308 HB3 ARG 40 HB1 ARG 40 -18.391 8.300 3.833 309 HG2 ARG 40 HG2 ARG 40 -19.062 10.446 4.390 310 HG3 ARG 40 HG1 ARG 40 -17.446 10.378 5.089 311 HD2 ARG 40 HD2 ARG 40 -17.648 12.473 3.977 312 HD3 ARG 40 HD1 ARG 40 -16.599 11.457 2.983 313 HE ARG 40 HE ARG 40 -19.417 12.050 2.458 314 HH11 ARG 40 HH11 ARG 40 -16.268 10.977 1.120 315 HH12 ARG 40 HH12 ARG 40 -16.771 11.246 -0.490 316 HH21 ARG 40 HH21 ARG 40 -19.979 12.399 0.253 317 HH22 ARG 40 HH22 ARG 40 -18.851 12.100 -0.988 318 H ALA 41 HN ALA 41 -14.671 10.074 4.768 319 HA ALA 41 HA ALA 41 -14.089 11.676 2.531 320 HB1 ALA 41 HB1 ALA 41 -12.702 11.776 5.203 321 HB2 ALA 41 HB2 ALA 41 -14.177 12.626 4.770 322 HB3 ALA 41 HB3 ALA 41 -12.670 13.009 3.943 323 H ALA 42 HN ALA 42 -12.144 9.270 4.155 324 HA ALA 42 HA ALA 42 -10.040 9.654 2.224 325 HB1 ALA 42 HB1 ALA 42 -10.419 7.405 4.199 326 HB2 ALA 42 HB2 ALA 42 -9.524 8.893 4.489 327 HB3 ALA 42 HB3 ALA 42 -8.951 7.742 3.277 328 H ALA 43 HN ALA 43 -12.897 7.735 2.503 329 HA ALA 43 HA ALA 43 -12.255 5.766 0.574 330 HB1 ALA 43 HB1 ALA 43 -14.654 5.326 0.515 331 HB2 ALA 43 HB2 ALA 43 -14.958 6.856 1.339 332 HB3 ALA 43 HB3 ALA 43 -14.119 5.559 2.186 333 H GLU 44 HN GLU 44 -13.428 9.014 0.450 334 HA GLU 44 HA GLU 44 -14.283 9.030 -2.233 335 HB2 GLU 44 HB2 GLU 44 -14.795 10.718 -0.388 336 HB3 GLU 44 HB1 GLU 44 -13.206 11.388 -0.711 337 HG2 GLU 44 HG2 GLU 44 -14.918 12.652 -1.873 338 HG3 GLU 44 HG1 GLU 44 -13.867 11.820 -3.026 339 H PHE 45 HN PHE 45 -11.182 9.544 -0.627 340 HA PHE 45 HA PHE 45 -9.739 10.498 -2.857 341 HB2 PHE 45 HB2 PHE 45 -8.815 10.617 -0.554 342 HB3 PHE 45 HB1 PHE 45 -8.741 8.861 -0.490 343 HD1 PHE 45 HD1 PHE 45 -7.227 11.887 -1.898 344 HD2 PHE 45 HD2 PHE 45 -6.998 7.643 -1.664 345 HE1 PHE 45 HE1 PHE 45 -4.974 11.955 -2.870 346 HE2 PHE 45 HE2 PHE 45 -4.738 7.710 -2.634 347 HZ PHE 45 HZ PHE 45 -3.732 9.875 -3.247 348 H VAL 46 HN VAL 46 -10.364 7.297 -1.588 349 HA VAL 46 HA VAL 46 -8.874 5.811 -3.431 350 HB VAL 46 HB VAL 46 -11.438 4.970 -2.041 351 HG11 VAL 46 HG11 VAL 46 -10.831 3.452 -3.846 352 HG12 VAL 46 HG12 VAL 46 -10.570 2.684 -2.279 353 HG13 VAL 46 HG13 VAL 46 -9.199 3.309 -3.196 354 HG21 VAL 46 HG21 VAL 46 -9.801 5.763 -0.445 355 HG22 VAL 46 HG22 VAL 46 -8.576 4.712 -1.154 356 HG23 VAL 46 HG23 VAL 46 -9.971 4.013 -0.337 357 H GLY 47 HN GLY 47 -12.281 6.769 -3.435 358 HA2 GLY 47 HA2 GLY 47 -12.961 5.631 -5.924 359 HA3 GLY 47 HA1 GLY 47 -13.838 6.912 -5.105 360 H SER 48 HN SER 48 -11.292 8.534 -5.119 361 HA SER 48 HA SER 48 -11.664 9.725 -7.697 362 HB2 SER 48 HB2 SER 48 -9.863 10.509 -5.406 363 HB3 SER 48 HB1 SER 48 -10.125 11.457 -6.873 364 HG SER 48 HG SER 48 -12.149 10.641 -5.069 365 H VAL 49 HN VAL 49 -9.029 8.024 -6.017 366 HA VAL 49 HA VAL 49 -7.190 8.470 -8.151 367 HB VAL 49 HB VAL 49 -6.402 8.203 -5.825 368 HG11 VAL 49 HG11 VAL 49 -7.138 5.304 -6.102 369 HG12 VAL 49 HG12 VAL 49 -7.900 6.497 -5.055 370 HG13 VAL 49 HG13 VAL 49 -6.224 6.016 -4.766 371 HG21 VAL 49 HG21 VAL 49 -5.252 6.152 -7.715 372 HG22 VAL 49 HG22 VAL 49 -4.451 6.769 -6.269 373 HG23 VAL 49 HG23 VAL 49 -4.803 7.856 -7.613 374 H ASN 50 HN ASN 50 -9.366 5.804 -7.407 375 HA ASN 50 HA ASN 50 -8.524 4.719 -9.978 376 HB2 ASN 50 HB2 ASN 50 -9.312 2.438 -9.242 377 HB3 ASN 50 HB1 ASN 50 -7.889 3.017 -8.400 378 HD21 ASN 50 HD21 ASN 50 -7.940 3.140 -6.231 379 HD22 ASN 50 HD22 ASN 50 -9.312 2.757 -5.263 380 H GLY 51 HN GLY 51 -10.200 3.646 -11.224 381 HA2 GLY 51 HA2 GLY 51 -12.680 5.184 -10.828 382 HA3 GLY 51 HA1 GLY 51 -11.993 4.818 -12.398 383 H GLY 52 HN GLY 52 -14.620 4.295 -11.516 384 HA2 GLY 52 HA2 GLY 52 -16.176 2.695 -11.918 385 HA3 GLY 52 HA1 GLY 52 -14.879 1.645 -12.477 386 H ASN 53 HN ASN 53 -14.220 0.071 -11.229 387 HA ASN 53 HA ASN 53 -15.761 -0.523 -8.853 388 HB2 ASN 53 HB2 ASN 53 -15.081 -2.244 -10.621 389 HB3 ASN 53 HB1 ASN 53 -13.444 -2.105 -9.996 390 HD21 ASN 53 HD21 ASN 53 -15.083 -4.426 -10.063 391 HD22 ASN 53 HD22 ASN 53 -15.287 -4.962 -8.437 392 H ARG 54 HN ARG 54 -15.133 0.154 -6.923 393 HA ARG 54 HA ARG 54 -12.855 1.653 -6.363 394 HB2 ARG 54 HB2 ARG 54 -15.002 1.534 -4.982 395 HB3 ARG 54 HB1 ARG 54 -14.390 0.021 -4.328 396 HG2 ARG 54 HG2 ARG 54 -12.338 1.337 -3.630 397 HG3 ARG 54 HG1 ARG 54 -13.299 2.778 -3.968 398 HD2 ARG 54 HD2 ARG 54 -13.510 2.276 -1.634 399 HD3 ARG 54 HD1 ARG 54 -15.042 1.874 -2.410 400 HE ARG 54 HE ARG 54 -13.787 -0.463 -2.507 401 HH11 ARG 54 HH11 ARG 54 -14.554 1.677 0.197 402 HH12 ARG 54 HH12 ARG 54 -14.181 0.521 1.385 403 HH21 ARG 54 HH21 ARG 54 -13.372 -2.030 -0.925 404 HH22 ARG 54 HH22 ARG 54 -13.423 -1.645 0.750 405 H THR 55 HN THR 55 -10.885 0.896 -6.532 406 HA THR 55 HA THR 55 -10.248 -1.880 -6.114 407 HB THR 55 HB THR 55 -8.368 0.448 -6.589 408 HG1 THR 55 HG1 THR 55 -10.329 -0.226 -8.055 409 HG21 THR 55 HG21 THR 55 -8.218 -2.516 -7.151 410 HG22 THR 55 HG22 THR 55 -7.292 -1.628 -5.929 411 HG23 THR 55 HG23 THR 55 -7.004 -1.331 -7.647 412 H VAL 56 HN VAL 56 -9.676 -2.672 -4.156 413 HA VAL 56 HA VAL 56 -9.516 -0.842 -1.991 414 HB VAL 56 HB VAL 56 -8.873 -3.771 -1.785 415 HG11 VAL 56 HG11 VAL 56 -9.685 -1.735 0.290 416 HG12 VAL 56 HG12 VAL 56 -8.041 -2.201 -0.017 417 HG13 VAL 56 HG13 VAL 56 -9.191 -3.407 0.608 418 HG21 VAL 56 HG21 VAL 56 -11.106 -3.361 -2.582 419 HG22 VAL 56 HG22 VAL 56 -11.294 -2.236 -1.201 420 HG23 VAL 56 HG23 VAL 56 -11.031 -3.980 -0.905 421 HA PRO 57 HA PRO 57 -5.633 -2.290 -1.164 422 HB2 PRO 57 HB2 PRO 57 -3.770 -3.815 -2.456 423 HB3 PRO 57 HB1 PRO 57 -5.106 -4.433 -1.482 424 HG2 PRO 57 HG2 PRO 57 -4.923 -4.143 -4.439 425 HG3 PRO 57 HG1 PRO 57 -5.711 -5.418 -3.475 426 HD2 PRO 57 HD2 PRO 57 -6.956 -3.222 -4.674 427 HD3 PRO 57 HD1 PRO 57 -7.643 -4.297 -3.434 428 H THR 58 HN THR 58 -5.522 -0.129 -1.942 429 HA THR 58 HA THR 58 -3.753 0.699 -4.067 430 HB THR 58 HB THR 58 -5.857 2.086 -2.379 431 HG1 THR 58 HG1 THR 58 -6.994 0.828 -3.682 432 HG21 THR 58 HG21 THR 58 -4.169 3.687 -3.285 433 HG22 THR 58 HG22 THR 58 -5.745 3.862 -4.086 434 HG23 THR 58 HG23 THR 58 -4.442 3.001 -4.894 435 H VAL 59 HN VAL 59 -1.760 1.280 -3.397 436 HA VAL 59 HA VAL 59 -1.408 1.928 -0.564 437 HB VAL 59 HB VAL 59 -0.286 -0.166 -1.074 438 HG11 VAL 59 HG11 VAL 59 1.543 -0.252 -2.724 439 HG12 VAL 59 HG12 VAL 59 0.970 1.338 -3.307 440 HG13 VAL 59 HG13 VAL 59 -0.080 -0.057 -3.396 441 HG21 VAL 59 HG21 VAL 59 0.895 1.305 0.483 442 HG22 VAL 59 HG22 VAL 59 1.740 2.065 -0.863 443 HG23 VAL 59 HG23 VAL 59 2.039 0.370 -0.481 444 H LYS 60 HN LYS 60 -0.556 3.755 -0.036 445 HA LYS 60 HA LYS 60 0.526 5.484 -2.137 446 HB2 LYS 60 HB2 LYS 60 -1.538 6.285 -0.982 447 HB3 LYS 60 HB1 LYS 60 -0.668 6.218 0.541 448 HG2 LYS 60 HG2 LYS 60 0.794 7.980 -0.172 449 HG3 LYS 60 HG1 LYS 60 0.088 7.948 -1.789 450 HD2 LYS 60 HD2 LYS 60 -2.104 8.537 -0.817 451 HD3 LYS 60 HD1 LYS 60 -1.346 8.641 0.763 452 HE2 LYS 60 HE2 LYS 60 -0.445 10.272 -1.579 453 HE3 LYS 60 HE1 LYS 60 -1.656 10.830 -0.426 454 HZ1 LYS 60 HZ1 LYS 60 -0.092 10.685 1.320 455 HZ2 LYS 60 HZ2 LYS 60 0.636 11.597 0.115 456 HZ3 LYS 60 HZ3 LYS 60 1.084 9.979 0.374 457 H PHE 61 HN PHE 61 2.592 5.937 -2.008 458 HA PHE 61 HA PHE 61 4.132 4.978 0.279 459 HB2 PHE 61 HB2 PHE 61 4.991 5.908 -2.477 460 HB3 PHE 61 HB1 PHE 61 6.120 5.554 -1.192 461 HD1 PHE 61 HD1 PHE 61 3.281 3.933 -3.013 462 HD2 PHE 61 HD2 PHE 61 7.029 3.454 -1.042 463 HE1 PHE 61 HE1 PHE 61 3.327 1.534 -3.623 464 HE2 PHE 61 HE2 PHE 61 7.047 1.104 -1.644 465 HZ PHE 61 HZ PHE 61 5.197 0.135 -2.946 466 H ALA 62 HN ALA 62 6.109 6.384 0.767 467 HA ALA 62 HA ALA 62 5.252 8.780 1.940 468 HB1 ALA 62 HB1 ALA 62 7.124 7.434 2.791 469 HB2 ALA 62 HB2 ALA 62 7.572 9.124 2.556 470 HB3 ALA 62 HB3 ALA 62 8.086 7.906 1.390 471 H ASP 63 HN ASP 63 6.352 8.133 -1.223 472 HA ASP 63 HA ASP 63 7.257 10.765 -1.917 473 HB2 ASP 63 HB2 ASP 63 6.254 8.511 -3.664 474 HB3 ASP 63 HB1 ASP 63 6.874 10.022 -4.293 475 H GLY 64 HN GLY 64 4.206 9.354 -1.393 476 HA2 GLY 64 HA2 GLY 64 2.199 10.565 -1.345 477 HA3 GLY 64 HA1 GLY 64 2.879 11.710 -2.500 478 H SER 65 HN SER 65 3.903 9.058 -3.827 479 HA SER 65 HA SER 65 1.894 9.014 -5.787 480 HB2 SER 65 HB2 SER 65 3.503 7.216 -6.693 481 HB3 SER 65 HB1 SER 65 4.094 8.876 -6.567 482 HG SER 65 HG SER 65 5.541 7.299 -5.716 483 H THR 66 HN THR 66 0.601 7.309 -6.365 484 HA THR 66 HA THR 66 0.161 5.312 -4.286 485 HB THR 66 HB THR 66 -2.160 5.309 -5.502 486 HG1 THR 66 HG1 THR 66 -1.657 6.752 -7.166 487 HG21 THR 66 HG21 THR 66 -1.306 7.572 -3.685 488 HG22 THR 66 HG22 THR 66 -1.816 5.968 -3.160 489 HG23 THR 66 HG23 THR 66 -2.969 7.047 -3.952 490 H LEU 67 HN LEU 67 0.083 3.246 -4.869 491 HA LEU 67 HA LEU 67 0.281 2.596 -7.706 492 HB2 LEU 67 HB2 LEU 67 1.657 1.332 -5.341 493 HB3 LEU 67 HB1 LEU 67 1.336 0.378 -6.770 494 HG LEU 67 HG LEU 67 2.686 1.997 -8.091 495 HD11 LEU 67 HD11 LEU 67 3.464 3.220 -5.453 496 HD12 LEU 67 HD12 LEU 67 2.565 3.971 -6.761 497 HD13 LEU 67 HD13 LEU 67 4.242 3.505 -7.010 498 HD21 LEU 67 HD21 LEU 67 4.122 0.601 -5.836 499 HD22 LEU 67 HD22 LEU 67 4.872 1.196 -7.311 500 HD23 LEU 67 HD23 LEU 67 3.663 -0.078 -7.396 501 H THR 68 HN THR 68 -1.284 1.440 -8.495 502 HA THR 68 HA THR 68 -3.338 0.458 -6.652 503 HB THR 68 HB THR 68 -3.508 1.026 -9.625 504 HG1 THR 68 HG1 THR 68 -3.041 2.868 -8.352 505 HG21 THR 68 HG21 THR 68 -5.941 1.058 -9.220 506 HG22 THR 68 HG22 THR 68 -5.665 0.653 -7.525 507 HG23 THR 68 HG23 THR 68 -5.249 -0.505 -8.788 508 H ASN 69 HN ASN 69 -3.233 -1.649 -6.238 509 HA ASN 69 HA ASN 69 -2.840 -3.849 -6.305 510 HB2 ASN 69 HB2 ASN 69 -3.486 -3.565 -9.247 511 HB3 ASN 69 HB1 ASN 69 -3.257 -5.108 -8.448 512 HD21 ASN 69 HD21 ASN 69 -5.507 -4.166 -9.860 513 HD22 ASN 69 HD22 ASN 69 -6.844 -4.168 -8.777 514 HA PRO 70 HA PRO 70 1.472 -3.614 -8.064 515 HB2 PRO 70 HB2 PRO 70 2.894 -3.057 -5.920 516 HB3 PRO 70 HB1 PRO 70 1.974 -1.757 -6.702 517 HG2 PRO 70 HG2 PRO 70 1.184 -3.465 -4.366 518 HG3 PRO 70 HG1 PRO 70 1.218 -1.679 -4.437 519 HD2 PRO 70 HD2 PRO 70 -1.080 -3.060 -4.868 520 HD3 PRO 70 HD1 PRO 70 -0.684 -1.599 -5.778 521 H SER 71 HN SER 71 3.351 -4.998 -7.288 522 HA SER 71 HA SER 71 2.410 -7.327 -5.801 523 HB2 SER 71 HB2 SER 71 4.644 -7.084 -7.836 524 HB3 SER 71 HB1 SER 71 4.134 -8.580 -7.040 525 HG SER 71 HG SER 71 1.966 -7.824 -7.927 526 H ALA 72 HN ALA 72 3.910 -8.268 -4.291 527 HA ALA 72 HA ALA 72 4.917 -6.458 -2.460 528 HB1 ALA 72 HB1 ALA 72 5.804 -8.367 -1.261 529 HB2 ALA 72 HB2 ALA 72 5.645 -9.370 -2.704 530 HB3 ALA 72 HB3 ALA 72 4.205 -8.729 -1.914 531 H ASP 73 HN ASP 73 6.656 -8.098 -5.028 532 HA ASP 73 HA ASP 73 9.255 -7.537 -4.097 533 HB2 ASP 73 HB2 ASP 73 10.077 -8.147 -6.305 534 HB3 ASP 73 HB1 ASP 73 8.820 -9.264 -5.822 535 H GLU 74 HN GLU 74 7.075 -5.683 -6.119 536 HA GLU 74 HA GLU 74 8.973 -3.592 -6.602 537 HB2 GLU 74 HB2 GLU 74 6.009 -3.785 -6.940 538 HB3 GLU 74 HB1 GLU 74 6.812 -2.236 -7.044 539 HG2 GLU 74 HG2 GLU 74 7.516 -4.610 -8.727 540 HG3 GLU 74 HG1 GLU 74 6.480 -3.277 -9.239 541 H VAL 75 HN VAL 75 6.430 -4.167 -4.300 542 HA VAL 75 HA VAL 75 6.437 -1.624 -3.185 543 HB VAL 75 HB VAL 75 5.687 -4.214 -1.785 544 HG11 VAL 75 HG11 VAL 75 6.039 -2.379 -0.197 545 HG12 VAL 75 HG12 VAL 75 4.333 -2.816 -0.305 546 HG13 VAL 75 HG13 VAL 75 4.924 -1.369 -1.118 547 HG21 VAL 75 HG21 VAL 75 3.387 -3.635 -2.415 548 HG22 VAL 75 HG22 VAL 75 4.417 -3.869 -3.830 549 HG23 VAL 75 HG23 VAL 75 3.991 -2.237 -3.306 550 H LYS 76 HN LYS 76 8.311 -4.496 -2.378 551 HA LYS 76 HA LYS 76 9.584 -3.430 -0.089 552 HB2 LYS 76 HB2 LYS 76 9.506 -5.863 -0.693 553 HB3 LYS 76 HB1 LYS 76 10.665 -5.536 -1.968 554 HG2 LYS 76 HG2 LYS 76 12.310 -4.825 -0.321 555 HG3 LYS 76 HG1 LYS 76 11.163 -5.125 0.984 556 HD2 LYS 76 HD2 LYS 76 12.662 -6.988 0.861 557 HD3 LYS 76 HD1 LYS 76 11.101 -7.523 0.248 558 HE2 LYS 76 HE2 LYS 76 11.905 -7.206 -2.053 559 HE3 LYS 76 HE1 LYS 76 13.466 -6.681 -1.429 560 HZ1 LYS 76 HZ1 LYS 76 12.250 -9.355 -1.048 561 HZ2 LYS 76 HZ2 LYS 76 13.776 -8.897 -0.475 562 HZ3 LYS 76 HZ3 LYS 76 13.476 -8.984 -2.133 563 H ALA 77 HN ALA 77 10.543 -3.490 -3.507 564 HA ALA 77 HA ALA 77 13.101 -2.298 -3.085 565 HB1 ALA 77 HB1 ALA 77 13.196 -2.100 -5.513 566 HB2 ALA 77 HB2 ALA 77 11.474 -2.450 -5.623 567 HB3 ALA 77 HB3 ALA 77 12.591 -3.687 -5.045 568 H LYS 78 HN LYS 78 9.935 -1.023 -3.882 569 HA LYS 78 HA LYS 78 10.914 1.688 -4.180 570 HB2 LYS 78 HB2 LYS 78 8.109 0.560 -3.987 571 HB3 LYS 78 HB1 LYS 78 8.477 2.257 -4.305 572 HG2 LYS 78 HG2 LYS 78 9.341 -0.045 -6.052 573 HG3 LYS 78 HG1 LYS 78 7.870 0.899 -6.306 574 HD2 LYS 78 HD2 LYS 78 9.139 2.889 -6.706 575 HD3 LYS 78 HD1 LYS 78 10.634 2.103 -6.207 576 HE2 LYS 78 HE2 LYS 78 10.409 2.351 -8.670 577 HE3 LYS 78 HE1 LYS 78 10.619 0.692 -8.137 578 HZ1 LYS 78 HZ1 LYS 78 8.389 0.188 -8.633 579 HZ2 LYS 78 HZ2 LYS 78 8.914 1.132 -9.905 580 HZ3 LYS 78 HZ3 LYS 78 7.930 1.819 -8.731 581 H LEU 79 HN LEU 79 9.890 -0.296 -1.556 582 HA LEU 79 HA LEU 79 9.369 1.832 0.219 583 HB2 LEU 79 HB2 LEU 79 8.705 -0.620 0.666 584 HB3 LEU 79 HB1 LEU 79 10.396 -0.919 0.927 585 HG LEU 79 HG LEU 79 10.320 0.720 2.823 586 HD11 LEU 79 HD11 LEU 79 7.351 0.501 2.388 587 HD12 LEU 79 HD12 LEU 79 8.303 1.987 2.400 588 HD13 LEU 79 HD13 LEU 79 8.093 1.060 3.867 589 HD21 LEU 79 HD21 LEU 79 9.296 -0.913 4.369 590 HD22 LEU 79 HD22 LEU 79 10.394 -1.653 3.209 591 HD23 LEU 79 HD23 LEU 79 8.653 -1.785 2.974 592 H VAL 80 HN VAL 80 12.193 -0.174 -0.467 593 HA VAL 80 HA VAL 80 13.799 1.044 1.479 594 HB VAL 80 HB VAL 80 15.765 -0.026 0.404 595 HG11 VAL 80 HG11 VAL 80 15.066 -2.341 0.740 596 HG12 VAL 80 HG12 VAL 80 13.382 -1.802 0.771 597 HG13 VAL 80 HG13 VAL 80 14.505 -1.264 2.019 598 HG21 VAL 80 HG21 VAL 80 13.745 -0.824 -1.611 599 HG22 VAL 80 HG22 VAL 80 15.344 -1.585 -1.477 600 HG23 VAL 80 HG23 VAL 80 15.197 0.127 -1.904 601 H LYS 81 HN LYS 81 13.127 2.056 -1.773 602 HA LYS 81 HA LYS 81 15.379 3.842 -1.825 603 HB2 LYS 81 HB2 LYS 81 14.574 4.707 -3.884 604 HB3 LYS 81 HB1 LYS 81 14.110 3.014 -3.917 605 HG2 LYS 81 HG2 LYS 81 11.854 3.562 -3.335 606 HG3 LYS 81 HG1 LYS 81 12.285 5.245 -3.082 607 HD2 LYS 81 HD2 LYS 81 12.970 5.289 -5.529 608 HD3 LYS 81 HD1 LYS 81 12.153 3.730 -5.683 609 HE2 LYS 81 HE2 LYS 81 10.570 5.410 -6.305 610 HE3 LYS 81 HE1 LYS 81 10.100 4.797 -4.728 611 HZ1 LYS 81 HZ1 LYS 81 11.345 6.799 -3.771 612 HZ2 LYS 81 HZ2 LYS 81 9.919 7.123 -4.537 613 HZ3 LYS 81 HZ3 LYS 81 11.373 7.417 -5.336 614 H ILE 82 HN ILE 82 12.095 4.000 -0.618 615 HA ILE 82 HA ILE 82 12.241 6.868 -0.376 616 HB ILE 82 HB ILE 82 9.912 6.860 0.376 617 HG12 ILE 82 HG12 ILE 82 8.648 4.568 0.197 618 HG13 ILE 82 HG11 ILE 82 10.225 3.863 0.514 619 HG21 ILE 82 HG21 ILE 82 8.839 5.943 -1.605 620 HG22 ILE 82 HG22 ILE 82 10.281 5.012 -1.965 621 HG23 ILE 82 HG23 ILE 82 10.338 6.777 -2.006 622 HD11 ILE 82 HD11 ILE 82 8.724 5.754 2.295 623 HD12 ILE 82 HD12 ILE 82 10.309 5.054 2.649 624 HD13 ILE 82 HD13 ILE 82 8.883 4.015 2.526 625 H ALA 83 HN ALA 83 13.025 4.220 1.457 626 HA ALA 83 HA ALA 83 12.805 5.467 4.034 627 HB1 ALA 83 HB1 ALA 83 14.030 3.510 4.854 628 HB2 ALA 83 HB2 ALA 83 14.374 3.026 3.196 629 HB3 ALA 83 HB3 ALA 83 12.711 3.024 3.787 630 H GLY 84 HN GLY 84 15.133 5.362 1.498 631 HA2 GLY 84 HA2 GLY 84 16.746 7.176 1.453 632 HA3 GLY 84 HA1 GLY 84 16.988 6.905 3.177 633 H LEU 85 HN LEU 85 19.245 6.611 2.735 634 HA LEU 85 HA LEU 85 19.875 4.210 1.234 635 HB2 LEU 85 HB2 LEU 85 21.710 6.320 2.374 636 HB3 LEU 85 HB1 LEU 85 22.241 4.915 1.472 637 HG LEU 85 HG LEU 85 20.552 7.176 0.388 638 HD11 LEU 85 HD11 LEU 85 22.845 7.846 0.770 639 HD12 LEU 85 HD12 LEU 85 22.527 7.700 -0.956 640 HD13 LEU 85 HD13 LEU 85 23.430 6.437 -0.116 641 HD21 LEU 85 HD21 LEU 85 19.984 5.069 -0.694 642 HD22 LEU 85 HD22 LEU 85 21.693 4.741 -0.989 643 HD23 LEU 85 HD23 LEU 85 20.904 6.096 -1.795 644 H GLU 86 HN GLU 86 18.935 2.850 2.767 645 HA GLU 86 HA GLU 86 20.529 2.482 5.195 646 HB2 GLU 86 HB2 GLU 86 18.044 2.640 5.466 647 HB3 GLU 86 HB1 GLU 86 17.872 1.225 4.441 648 HG2 GLU 86 HG2 GLU 86 19.029 -0.135 6.041 649 HG3 GLU 86 HG1 GLU 86 19.363 1.266 7.048 650 H HIS 87 HN HIS 87 19.042 0.710 2.552 651 HA HIS 87 HA HIS 87 21.013 -1.394 2.812 652 HB2 HIS 87 HB2 HIS 87 18.591 -1.125 1.009 653 HB3 HIS 87 HB1 HIS 87 19.723 -2.462 0.912 654 HD1 HIS 87 HD1 HIS 87 19.140 -4.448 2.310 655 HD2 HIS 87 HD2 HIS 87 17.246 -0.990 3.613 656 HE1 HIS 87 HE1 HIS 87 17.532 -5.168 4.116 657 H HIS 88 HN HIS 88 22.735 -0.018 2.285 658 HA HIS 88 HA HIS 88 23.139 0.222 -0.556 659 HB2 HIS 88 HB2 HIS 88 22.158 2.400 0.167 660 HB3 HIS 88 HB1 HIS 88 23.456 2.573 1.337 661 HD1 HIS 88 HD1 HIS 88 25.135 4.207 0.502 662 HD2 HIS 88 HD2 HIS 88 23.445 2.002 -2.582 663 HE1 HIS 88 HE1 HIS 88 26.174 5.053 -1.612 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 1.736 5.686 16.309 2 H2 MET 1 HT2 MET 1 2.665 5.040 15.057 3 H3 MET 1 HT3 MET 1 3.356 5.319 16.551 4 HA MET 1 HA MET 1 2.035 3.670 17.617 5 HB2 MET 1 HB2 MET 1 1.018 3.070 14.823 6 HB3 MET 1 HB1 MET 1 0.679 2.127 16.259 7 HG2 MET 1 HG2 MET 1 -0.538 4.018 17.219 8 HG3 MET 1 HG1 MET 1 -0.194 4.961 15.772 9 HE1 MET 1 HE1 MET 1 -0.516 2.768 13.460 10 HE2 MET 1 HE2 MET 1 -1.169 4.403 13.366 11 HE3 MET 1 HE3 MET 1 -2.205 3.018 13.024 12 H VAL 2 HN VAL 2 3.107 3.150 14.251 13 HA VAL 2 HA VAL 2 5.379 1.683 15.244 14 HB VAL 2 HB VAL 2 3.604 -0.004 14.740 15 HG11 VAL 2 HG11 VAL 2 2.816 -0.372 12.448 16 HG12 VAL 2 HG12 VAL 2 3.650 1.098 11.941 17 HG13 VAL 2 HG13 VAL 2 2.318 1.196 13.090 18 HG21 VAL 2 HG21 VAL 2 5.907 -0.664 14.405 19 HG22 VAL 2 HG22 VAL 2 5.884 -0.027 12.762 20 HG23 VAL 2 HG23 VAL 2 4.890 -1.424 13.182 21 H THR 3 HN THR 3 7.160 1.885 13.715 22 HA THR 3 HA THR 3 6.979 4.197 12.108 23 HB THR 3 HB THR 3 9.326 3.455 11.355 24 HG1 THR 3 HG1 THR 3 9.706 1.460 11.803 25 HG21 THR 3 HG21 THR 3 10.334 4.083 13.513 26 HG22 THR 3 HG22 THR 3 8.784 3.817 14.309 27 HG23 THR 3 HG23 THR 3 8.954 5.114 13.128 28 H ALA 4 HN ALA 4 5.556 4.011 10.529 29 HA ALA 4 HA ALA 4 5.974 1.909 8.529 30 HB1 ALA 4 HB1 ALA 4 3.577 2.046 8.042 31 HB2 ALA 4 HB2 ALA 4 3.391 3.258 9.313 32 HB3 ALA 4 HB3 ALA 4 3.865 1.610 9.727 33 H ALA 5 HN ALA 5 6.544 2.625 6.625 34 HA ALA 5 HA ALA 5 6.323 5.494 6.079 35 HB1 ALA 5 HB1 ALA 5 8.115 3.420 4.817 36 HB2 ALA 5 HB2 ALA 5 8.593 4.563 6.070 37 HB3 ALA 5 HB3 ALA 5 8.136 5.147 4.470 38 H LEU 6 HN LEU 6 4.589 2.841 5.500 39 HA LEU 6 HA LEU 6 4.027 3.585 2.714 40 HB2 LEU 6 HB2 LEU 6 5.024 1.262 3.239 41 HB3 LEU 6 HB1 LEU 6 3.438 0.907 3.910 42 HG LEU 6 HG LEU 6 2.447 1.401 1.739 43 HD11 LEU 6 HD11 LEU 6 5.334 1.639 0.939 44 HD12 LEU 6 HD12 LEU 6 4.097 2.900 0.845 45 HD13 LEU 6 HD13 LEU 6 3.993 1.481 -0.184 46 HD21 LEU 6 HD21 LEU 6 4.617 -0.686 1.765 47 HD22 LEU 6 HD22 LEU 6 3.242 -0.641 0.661 48 HD23 LEU 6 HD23 LEU 6 2.977 -0.886 2.387 49 H THR 7 HN THR 7 1.907 4.043 2.203 50 HA THR 7 HA THR 7 -0.069 3.837 4.372 51 HB THR 7 HB THR 7 -0.137 5.609 1.921 52 HG1 THR 7 HG1 THR 7 1.452 5.805 3.989 53 HG21 THR 7 HG21 THR 7 -1.802 6.883 3.210 54 HG22 THR 7 HG22 THR 7 -1.655 5.728 4.531 55 HG23 THR 7 HG23 THR 7 -2.309 5.212 2.978 56 H ILE 8 HN ILE 8 -1.520 2.198 3.997 57 HA ILE 8 HA ILE 8 -2.150 1.550 1.190 58 HB ILE 8 HB ILE 8 -1.995 -0.393 3.526 59 HG12 ILE 8 HG12 ILE 8 -0.357 -0.161 1.003 60 HG13 ILE 8 HG11 ILE 8 0.190 0.172 2.642 61 HG21 ILE 8 HG21 ILE 8 -2.584 -2.176 1.960 62 HG22 ILE 8 HG22 ILE 8 -2.789 -1.006 0.661 63 HG23 ILE 8 HG23 ILE 8 -3.861 -0.965 2.067 64 HD11 ILE 8 HD11 ILE 8 0.996 -1.977 1.872 65 HD12 ILE 8 HD12 ILE 8 -0.654 -2.498 1.551 66 HD13 ILE 8 HD13 ILE 8 -0.135 -2.192 3.208 67 H TYR 9 HN TYR 9 -4.271 1.203 0.695 68 HA TYR 9 HA TYR 9 -6.171 2.068 2.731 69 HB2 TYR 9 HB2 TYR 9 -6.466 1.832 -0.280 70 HB3 TYR 9 HB1 TYR 9 -7.666 2.510 0.818 71 HD1 TYR 9 HD1 TYR 9 -7.235 4.661 1.948 72 HD2 TYR 9 HD2 TYR 9 -4.533 3.128 -0.951 73 HE1 TYR 9 HE1 TYR 9 -6.192 6.880 1.752 74 HE2 TYR 9 HE2 TYR 9 -3.474 5.343 -1.141 75 HH TYR 9 HH TYR 9 -4.092 7.655 -0.775 76 H THR 10 HN THR 10 -7.613 0.607 3.618 77 HA THR 10 HA THR 10 -7.822 -1.981 2.297 78 HB THR 10 HB THR 10 -7.626 -3.007 4.588 79 HG1 THR 10 HG1 THR 10 -6.618 -1.792 6.160 80 HG21 THR 10 HG21 THR 10 -5.188 -1.627 3.464 81 HG22 THR 10 HG22 THR 10 -5.821 -3.189 2.928 82 HG23 THR 10 HG23 THR 10 -5.164 -3.007 4.557 83 H THR 11 HN THR 11 -9.368 -3.402 3.646 84 HA THR 11 HA THR 11 -11.520 -2.011 4.987 85 HB THR 11 HB THR 11 -12.092 -4.176 2.919 86 HG1 THR 11 HG1 THR 11 -11.418 -1.541 2.546 87 HG21 THR 11 HG21 THR 11 -13.753 -1.949 4.088 88 HG22 THR 11 HG22 THR 11 -13.806 -3.641 4.595 89 HG23 THR 11 HG23 THR 11 -14.323 -3.183 2.967 90 H SER 12 HN SER 12 -12.425 -3.523 6.552 91 HA SER 12 HA SER 12 -10.602 -5.410 7.538 92 HB2 SER 12 HB2 SER 12 -13.577 -5.289 8.086 93 HB3 SER 12 HB1 SER 12 -12.339 -5.974 9.141 94 HG SER 12 HG SER 12 -12.760 -3.272 8.406 95 H TRP 13 HN TRP 13 -13.534 -5.786 5.583 96 HA TRP 13 HA TRP 13 -12.938 -8.588 5.326 97 HB2 TRP 13 HB2 TRP 13 -15.106 -8.743 4.137 98 HB3 TRP 13 HB1 TRP 13 -15.242 -8.193 5.812 99 HD1 TRP 13 HD1 TRP 13 -16.022 -7.288 2.261 100 HE1 TRP 13 HE1 TRP 13 -17.277 -5.107 2.168 101 HE3 TRP 13 HE3 TRP 13 -15.474 -5.864 7.128 102 HZ2 TRP 13 HZ2 TRP 13 -17.996 -2.994 3.930 103 HZ3 TRP 13 HZ3 TRP 13 -16.488 -3.742 7.849 104 HH2 TRP 13 HH2 TRP 13 -17.721 -2.340 6.290 105 H CYS 14 HN CYS 14 -11.199 -8.699 4.096 106 HA CYS 14 HA CYS 14 -11.704 -8.575 1.291 107 HB2 CYS 14 HB2 CYS 14 -11.062 -6.218 1.708 108 HB3 CYS 14 HB1 CYS 14 -9.555 -6.762 2.431 109 H GLY 15 HN GLY 15 -10.887 -10.440 0.657 110 HA2 GLY 15 HA2 GLY 15 -8.741 -11.691 2.162 111 HA3 GLY 15 HA1 GLY 15 -9.666 -12.412 0.850 112 H TYR 16 HN TYR 16 -9.294 -10.169 -0.907 113 HA TYR 16 HA TYR 16 -6.925 -11.036 -2.213 114 HB2 TYR 16 HB2 TYR 16 -9.054 -10.060 -3.216 115 HB3 TYR 16 HB1 TYR 16 -8.424 -8.484 -2.750 116 HD1 TYR 16 HD1 TYR 16 -7.726 -11.478 -4.761 117 HD2 TYR 16 HD2 TYR 16 -6.885 -7.360 -4.178 118 HE1 TYR 16 HE1 TYR 16 -6.533 -11.441 -6.887 119 HE2 TYR 16 HE2 TYR 16 -5.674 -7.303 -6.327 120 HH TYR 16 HH TYR 16 -5.969 -9.818 -8.559 121 H CYS 17 HN CYS 17 -7.704 -8.495 -0.032 122 HA CYS 17 HA CYS 17 -5.427 -6.897 -0.430 123 HB2 CYS 17 HB2 CYS 17 -7.235 -7.144 1.975 124 HB3 CYS 17 HB1 CYS 17 -6.073 -5.841 1.702 125 H LEU 18 HN LEU 18 -6.161 -9.748 1.466 126 HA LEU 18 HA LEU 18 -4.024 -9.600 3.320 127 HB2 LEU 18 HB2 LEU 18 -5.630 -11.955 2.397 128 HB3 LEU 18 HB1 LEU 18 -4.563 -11.924 3.789 129 HG LEU 18 HG LEU 18 -7.096 -10.325 3.455 130 HD11 LEU 18 HD11 LEU 18 -7.888 -11.709 5.269 131 HD12 LEU 18 HD12 LEU 18 -6.332 -12.561 5.238 132 HD13 LEU 18 HD13 LEU 18 -7.424 -12.675 3.851 133 HD21 LEU 18 HD21 LEU 18 -5.478 -9.041 4.723 134 HD22 LEU 18 HD22 LEU 18 -5.142 -10.435 5.753 135 HD23 LEU 18 HD23 LEU 18 -6.725 -9.663 5.804 136 H ARG 19 HN ARG 19 -4.488 -10.857 0.144 137 HA ARG 19 HA ARG 19 -2.299 -12.533 -0.220 138 HB2 ARG 19 HB2 ARG 19 -4.162 -12.216 -1.823 139 HB3 ARG 19 HB1 ARG 19 -3.582 -10.602 -2.171 140 HG2 ARG 19 HG2 ARG 19 -2.954 -12.031 -3.968 141 HG3 ARG 19 HG1 ARG 19 -1.493 -11.629 -3.066 142 HD2 ARG 19 HD2 ARG 19 -1.588 -13.792 -1.940 143 HD3 ARG 19 HD1 ARG 19 -3.085 -14.173 -2.795 144 HE ARG 19 HE ARG 19 -1.037 -13.514 -4.615 145 HH11 ARG 19 HH11 ARG 19 -1.996 -16.171 -2.469 146 HH12 ARG 19 HH12 ARG 19 -1.379 -17.392 -3.472 147 HH21 ARG 19 HH21 ARG 19 -0.157 -15.209 -5.985 148 HH22 ARG 19 HH22 ARG 19 -0.292 -16.830 -5.497 149 H LEU 20 HN LEU 20 -2.593 -9.023 -0.593 150 HA LEU 20 HA LEU 20 0.149 -8.731 -1.232 151 HB2 LEU 20 HB2 LEU 20 -1.441 -7.165 -2.172 152 HB3 LEU 20 HB1 LEU 20 -1.985 -6.699 -0.580 153 HG LEU 20 HG LEU 20 0.361 -5.721 -0.244 154 HD11 LEU 20 HD11 LEU 20 0.504 -6.093 -3.229 155 HD12 LEU 20 HD12 LEU 20 1.713 -6.609 -2.020 156 HD13 LEU 20 HD13 LEU 20 1.430 -4.926 -2.332 157 HD21 LEU 20 HD21 LEU 20 -1.511 -4.544 -2.280 158 HD22 LEU 20 HD22 LEU 20 -0.259 -3.642 -1.436 159 HD23 LEU 20 HD23 LEU 20 -1.606 -4.345 -0.533 160 H LYS 21 HN LYS 21 -1.849 -8.194 1.639 161 HA LYS 21 HA LYS 21 0.028 -6.940 3.281 162 HB2 LYS 21 HB2 LYS 21 -2.274 -8.735 4.010 163 HB3 LYS 21 HB1 LYS 21 -1.252 -7.994 5.225 164 HG2 LYS 21 HG2 LYS 21 -1.873 -5.764 4.312 165 HG3 LYS 21 HG1 LYS 21 -3.002 -6.574 3.220 166 HD2 LYS 21 HD2 LYS 21 -4.266 -7.446 5.073 167 HD3 LYS 21 HD1 LYS 21 -3.058 -6.872 6.219 168 HE2 LYS 21 HE2 LYS 21 -3.587 -4.552 5.569 169 HE3 LYS 21 HE1 LYS 21 -4.825 -5.164 4.476 170 HZ1 LYS 21 HZ1 LYS 21 -4.829 -5.677 7.395 171 HZ2 LYS 21 HZ2 LYS 21 -6.106 -5.946 6.328 172 HZ3 LYS 21 HZ3 LYS 21 -5.609 -4.372 6.706 173 H THR 22 HN THR 22 -0.536 -10.418 2.883 174 HA THR 22 HA THR 22 1.325 -11.271 4.789 175 HB THR 22 HB THR 22 0.533 -12.740 2.250 176 HG1 THR 22 HG1 THR 22 -1.388 -12.464 3.093 177 HG21 THR 22 HG21 THR 22 2.343 -13.791 3.553 178 HG22 THR 22 HG22 THR 22 0.863 -14.749 3.640 179 HG23 THR 22 HG23 THR 22 1.334 -13.732 4.998 180 H ALA 23 HN ALA 23 1.590 -10.453 1.391 181 HA ALA 23 HA ALA 23 4.265 -11.350 0.929 182 HB1 ALA 23 HB1 ALA 23 4.092 -10.076 -1.119 183 HB2 ALA 23 HB2 ALA 23 2.661 -9.241 -0.505 184 HB3 ALA 23 HB3 ALA 23 2.590 -10.967 -0.853 185 H LEU 24 HN LEU 24 2.907 -8.229 1.783 186 HA LEU 24 HA LEU 24 5.413 -6.914 1.664 187 HB2 LEU 24 HB2 LEU 24 2.917 -6.093 3.118 188 HB3 LEU 24 HB1 LEU 24 4.279 -5.048 2.793 189 HG LEU 24 HG LEU 24 2.353 -6.220 0.816 190 HD11 LEU 24 HD11 LEU 24 1.535 -4.310 1.994 191 HD12 LEU 24 HD12 LEU 24 1.925 -3.859 0.329 192 HD13 LEU 24 HD13 LEU 24 3.012 -3.420 1.640 193 HD21 LEU 24 HD21 LEU 24 4.818 -4.583 0.260 194 HD22 LEU 24 HD22 LEU 24 3.598 -5.045 -0.927 195 HD23 LEU 24 HD23 LEU 24 4.596 -6.284 -0.163 196 H THR 25 HN THR 25 3.574 -8.292 4.353 197 HA THR 25 HA THR 25 5.458 -7.492 6.291 198 HB THR 25 HB THR 25 3.425 -9.747 6.412 199 HG1 THR 25 HG1 THR 25 2.163 -8.031 6.180 200 HG21 THR 25 HG21 THR 25 3.503 -9.386 8.850 201 HG22 THR 25 HG22 THR 25 4.738 -8.148 8.632 202 HG23 THR 25 HG23 THR 25 5.099 -9.826 8.246 203 H ALA 26 HN ALA 26 5.384 -10.136 4.039 204 HA ALA 26 HA ALA 26 7.439 -11.680 5.356 205 HB1 ALA 26 HB1 ALA 26 6.336 -11.872 2.554 206 HB2 ALA 26 HB2 ALA 26 5.748 -12.764 3.953 207 HB3 ALA 26 HB3 ALA 26 7.378 -13.055 3.340 208 H ASN 27 HN ASN 27 7.338 -8.930 3.464 209 HA ASN 27 HA ASN 27 10.090 -9.266 2.487 210 HB2 ASN 27 HB2 ASN 27 7.693 -7.920 1.437 211 HB3 ASN 27 HB1 ASN 27 9.230 -7.073 1.151 212 HD21 ASN 27 HD21 ASN 27 7.200 -9.734 0.423 213 HD22 ASN 27 HD22 ASN 27 8.158 -10.357 -0.887 214 H ARG 28 HN ARG 28 8.878 -8.330 5.119 215 HA ARG 28 HA ARG 28 9.151 -6.809 6.746 216 HB2 ARG 28 HB2 ARG 28 11.497 -7.580 6.519 217 HB3 ARG 28 HB1 ARG 28 11.810 -6.252 5.402 218 HG2 ARG 28 HG2 ARG 28 11.267 -4.661 7.221 219 HG3 ARG 28 HG1 ARG 28 11.061 -6.025 8.315 220 HD2 ARG 28 HD2 ARG 28 13.590 -5.259 6.864 221 HD3 ARG 28 HD1 ARG 28 13.260 -5.034 8.581 222 HE ARG 28 HE ARG 28 13.258 -7.717 7.405 223 HH11 ARG 28 HH11 ARG 28 14.799 -5.368 9.561 224 HH12 ARG 28 HH12 ARG 28 15.671 -6.510 10.451 225 HH21 ARG 28 HH21 ARG 28 14.530 -9.316 8.584 226 HH22 ARG 28 HH22 ARG 28 15.511 -8.821 9.886 227 H ILE 29 HN ILE 29 7.420 -5.791 5.391 228 HA ILE 29 HA ILE 29 8.215 -3.029 4.911 229 HB ILE 29 HB ILE 29 6.039 -4.629 3.555 230 HG12 ILE 29 HG12 ILE 29 8.582 -3.389 2.444 231 HG13 ILE 29 HG11 ILE 29 8.314 -5.095 2.741 232 HG21 ILE 29 HG21 ILE 29 5.267 -2.375 3.948 233 HG22 ILE 29 HG22 ILE 29 5.626 -2.566 2.228 234 HG23 ILE 29 HG23 ILE 29 6.751 -1.703 3.289 235 HD11 ILE 29 HD11 ILE 29 6.593 -5.142 1.060 236 HD12 ILE 29 HD12 ILE 29 8.103 -4.529 0.391 237 HD13 ILE 29 HD13 ILE 29 6.789 -3.412 0.780 238 H ALA 30 HN ALA 30 7.513 -1.824 6.495 239 HA ALA 30 HA ALA 30 5.244 -2.626 8.083 240 HB1 ALA 30 HB1 ALA 30 7.085 -0.259 8.265 241 HB2 ALA 30 HB2 ALA 30 7.233 -1.762 9.181 242 HB3 ALA 30 HB3 ALA 30 5.855 -0.685 9.457 243 H TYR 31 HN TYR 31 3.328 -2.119 7.384 244 HA TYR 31 HA TYR 31 3.003 0.339 5.852 245 HB2 TYR 31 HB2 TYR 31 1.088 -0.797 4.712 246 HB3 TYR 31 HB1 TYR 31 2.670 -1.480 4.357 247 HD1 TYR 31 HD2 TYR 31 -0.515 -2.059 6.168 248 HD2 TYR 31 HD1 TYR 31 3.201 -3.726 4.943 249 HE1 TYR 31 HE2 TYR 31 -1.307 -4.297 6.822 250 HE2 TYR 31 HE1 TYR 31 2.418 -5.958 5.584 251 HH TYR 31 HH TYR 31 -0.869 -6.576 6.506 252 H ASP 32 HN ASP 32 1.302 1.611 6.228 253 HA ASP 32 HA ASP 32 -0.286 1.002 8.601 254 HB2 ASP 32 HB2 ASP 32 1.178 2.918 8.939 255 HB3 ASP 32 HB1 ASP 32 0.626 3.639 7.434 256 H GLU 33 HN GLU 33 -2.342 0.646 8.170 257 HA GLU 33 HA GLU 33 -3.261 1.298 5.504 258 HB2 GLU 33 HB2 GLU 33 -5.042 -0.370 5.925 259 HB3 GLU 33 HB1 GLU 33 -3.422 -1.025 6.010 260 HG2 GLU 33 HG2 GLU 33 -3.599 -0.836 8.509 261 HG3 GLU 33 HG1 GLU 33 -5.303 -0.448 8.272 262 H VAL 34 HN VAL 34 -5.276 2.207 5.152 263 HA VAL 34 HA VAL 34 -5.816 4.286 7.133 264 HB VAL 34 HB VAL 34 -6.664 4.234 4.228 265 HG11 VAL 34 HG11 VAL 34 -6.501 6.527 6.158 266 HG12 VAL 34 HG12 VAL 34 -7.971 5.722 5.603 267 HG13 VAL 34 HG13 VAL 34 -6.970 6.606 4.451 268 HG21 VAL 34 HG21 VAL 34 -4.260 5.538 5.483 269 HG22 VAL 34 HG22 VAL 34 -4.779 5.720 3.807 270 HG23 VAL 34 HG23 VAL 34 -4.242 4.148 4.399 271 H ASP 35 HN ASP 35 -7.697 4.856 7.845 272 HA ASP 35 HA ASP 35 -9.702 3.101 8.592 273 HB2 ASP 35 HB2 ASP 35 -9.945 6.103 8.456 274 HB3 ASP 35 HB1 ASP 35 -10.810 5.015 9.518 275 H ILE 36 HN ILE 36 -9.387 4.144 5.512 276 HA ILE 36 HA ILE 36 -11.628 5.487 4.660 277 HB ILE 36 HB ILE 36 -11.284 4.609 2.390 278 HG12 ILE 36 HG12 ILE 36 -8.862 3.288 2.529 279 HG13 ILE 36 HG11 ILE 36 -9.801 2.557 3.814 280 HG21 ILE 36 HG21 ILE 36 -8.779 5.426 3.797 281 HG22 ILE 36 HG22 ILE 36 -10.046 6.493 3.190 282 HG23 ILE 36 HG23 ILE 36 -9.088 5.542 2.064 283 HD11 ILE 36 HD11 ILE 36 -10.694 2.736 0.930 284 HD12 ILE 36 HD12 ILE 36 -11.621 2.044 2.254 285 HD13 ILE 36 HD13 ILE 36 -10.114 1.284 1.749 286 H GLU 37 HN GLU 37 -11.666 2.175 5.566 287 HA GLU 37 HA GLU 37 -13.914 1.196 4.265 288 HB2 GLU 37 HB2 GLU 37 -12.562 -0.155 5.770 289 HB3 GLU 37 HB1 GLU 37 -13.055 0.838 7.135 290 HG2 GLU 37 HG2 GLU 37 -15.391 0.111 6.745 291 HG3 GLU 37 HG1 GLU 37 -14.809 -0.996 5.508 292 H HIS 38 HN HIS 38 -13.718 3.112 7.242 293 HA HIS 38 HA HIS 38 -16.596 3.632 7.000 294 HB2 HIS 38 HB2 HIS 38 -16.080 2.419 9.049 295 HB3 HIS 38 HB1 HIS 38 -14.853 3.601 9.469 296 HD1 HIS 38 HD1 HIS 38 -15.595 5.224 11.160 297 HD2 HIS 38 HD2 HIS 38 -18.776 3.738 8.955 298 HE1 HIS 38 HE1 HIS 38 -17.665 6.277 12.139 299 H ASN 39 HN ASN 39 -13.443 5.096 7.317 300 HA ASN 39 HA ASN 39 -14.485 7.768 7.689 301 HB2 ASN 39 HB2 ASN 39 -12.186 7.208 8.419 302 HB3 ASN 39 HB1 ASN 39 -11.739 6.923 6.736 303 HD21 ASN 39 HD21 ASN 39 -10.372 8.565 6.306 304 HD22 ASN 39 HD22 ASN 39 -10.647 10.220 6.625 305 H ARG 40 HN ARG 40 -15.783 8.455 6.060 306 HA ARG 40 HA ARG 40 -15.209 7.675 3.397 307 HB2 ARG 40 HB2 ARG 40 -17.040 8.998 2.609 308 HB3 ARG 40 HB1 ARG 40 -17.540 8.245 4.109 309 HG2 ARG 40 HG2 ARG 40 -17.426 10.266 5.287 310 HG3 ARG 40 HG1 ARG 40 -16.507 11.058 4.000 311 HD2 ARG 40 HD2 ARG 40 -19.380 10.127 3.841 312 HD3 ARG 40 HD1 ARG 40 -18.830 11.795 4.027 313 HE ARG 40 HE ARG 40 -17.815 10.429 1.674 314 HH11 ARG 40 HH11 ARG 40 -20.402 12.557 2.925 315 HH12 ARG 40 HH12 ARG 40 -20.847 13.099 1.382 316 HH21 ARG 40 HH21 ARG 40 -18.496 11.176 -0.413 317 HH22 ARG 40 HH22 ARG 40 -19.759 12.312 -0.536 318 H ALA 41 HN ALA 41 -14.177 10.327 5.350 319 HA ALA 41 HA ALA 41 -13.680 12.120 3.302 320 HB1 ALA 41 HB1 ALA 41 -13.744 12.830 5.616 321 HB2 ALA 41 HB2 ALA 41 -12.274 13.387 4.825 322 HB3 ALA 41 HB3 ALA 41 -12.218 12.029 5.943 323 H ALA 42 HN ALA 42 -11.544 9.653 4.490 324 HA ALA 42 HA ALA 42 -9.612 10.472 2.479 325 HB1 ALA 42 HB1 ALA 42 -8.748 9.677 4.620 326 HB2 ALA 42 HB2 ALA 42 -8.221 8.607 3.316 327 HB3 ALA 42 HB3 ALA 42 -9.540 8.122 4.380 328 H ALA 43 HN ALA 43 -12.267 8.364 2.776 329 HA ALA 43 HA ALA 43 -11.558 6.398 0.866 330 HB1 ALA 43 HB1 ALA 43 -14.304 7.275 1.661 331 HB2 ALA 43 HB2 ALA 43 -13.323 6.142 2.588 332 HB3 ALA 43 HB3 ALA 43 -13.866 5.718 0.949 333 H GLU 44 HN GLU 44 -13.144 9.514 0.688 334 HA GLU 44 HA GLU 44 -14.061 9.348 -1.945 335 HB2 GLU 44 HB2 GLU 44 -13.067 11.806 -0.504 336 HB3 GLU 44 HB1 GLU 44 -14.080 11.811 -1.942 337 HG2 GLU 44 HG2 GLU 44 -14.809 10.970 0.862 338 HG3 GLU 44 HG1 GLU 44 -15.442 12.330 -0.051 339 H PHE 45 HN PHE 45 -10.898 10.176 -0.642 340 HA PHE 45 HA PHE 45 -9.726 10.982 -3.090 341 HB2 PHE 45 HB2 PHE 45 -8.688 11.586 -0.950 342 HB3 PHE 45 HB1 PHE 45 -8.423 9.891 -0.570 343 HD1 PHE 45 HD2 PHE 45 -7.666 12.206 -3.414 344 HD2 PHE 45 HD1 PHE 45 -6.226 9.194 -0.763 345 HE1 PHE 45 HE2 PHE 45 -5.454 12.327 -4.479 346 HE2 PHE 45 HE1 PHE 45 -3.993 9.328 -1.837 347 HZ PHE 45 HZ PHE 45 -3.624 10.883 -3.690 348 H VAL 46 HN VAL 46 -10.064 7.912 -1.477 349 HA VAL 46 HA VAL 46 -8.477 6.330 -3.198 350 HB VAL 46 HB VAL 46 -10.968 5.476 -1.691 351 HG11 VAL 46 HG11 VAL 46 -8.625 3.878 -2.687 352 HG12 VAL 46 HG12 VAL 46 -10.230 3.887 -3.388 353 HG13 VAL 46 HG13 VAL 46 -9.985 3.239 -1.755 354 HG21 VAL 46 HG21 VAL 46 -9.456 4.786 0.084 355 HG22 VAL 46 HG22 VAL 46 -9.339 6.526 -0.210 356 HG23 VAL 46 HG23 VAL 46 -8.093 5.439 -0.816 357 H GLY 47 HN GLY 47 -11.868 7.243 -3.206 358 HA2 GLY 47 HA2 GLY 47 -12.630 5.771 -5.507 359 HA3 GLY 47 HA1 GLY 47 -13.506 7.116 -4.783 360 H SER 48 HN SER 48 -10.952 8.721 -5.098 361 HA SER 48 HA SER 48 -11.525 9.738 -7.722 362 HB2 SER 48 HB2 SER 48 -9.384 10.558 -5.745 363 HB3 SER 48 HB1 SER 48 -9.887 11.468 -7.167 364 HG SER 48 HG SER 48 -11.799 10.770 -5.196 365 H VAL 49 HN VAL 49 -8.918 7.931 -6.129 366 HA VAL 49 HA VAL 49 -7.291 8.044 -8.485 367 HB VAL 49 HB VAL 49 -5.638 6.671 -7.310 368 HG11 VAL 49 HG11 VAL 49 -5.110 8.216 -5.478 369 HG12 VAL 49 HG12 VAL 49 -6.721 8.915 -5.629 370 HG13 VAL 49 HG13 VAL 49 -5.575 9.045 -6.964 371 HG21 VAL 49 HG21 VAL 49 -7.643 6.560 -5.058 372 HG22 VAL 49 HG22 VAL 49 -5.970 6.009 -4.953 373 HG23 VAL 49 HG23 VAL 49 -7.107 5.194 -6.033 374 H ASN 50 HN ASN 50 -9.409 5.680 -7.033 375 HA ASN 50 HA ASN 50 -8.732 3.689 -9.030 376 HB2 ASN 50 HB2 ASN 50 -11.041 3.776 -7.070 377 HB3 ASN 50 HB1 ASN 50 -10.645 2.419 -8.102 378 HD21 ASN 50 HD21 ASN 50 -7.688 2.697 -7.558 379 HD22 ASN 50 HD22 ASN 50 -7.522 2.117 -5.951 380 H GLY 51 HN GLY 51 -9.854 3.343 -10.895 381 HA2 GLY 51 HA2 GLY 51 -11.892 5.339 -11.528 382 HA3 GLY 51 HA1 GLY 51 -11.001 4.380 -12.702 383 H GLY 52 HN GLY 52 -13.949 4.807 -12.028 384 HA2 GLY 52 HA2 GLY 52 -15.789 3.496 -12.473 385 HA3 GLY 52 HA1 GLY 52 -14.725 2.104 -12.623 386 H ASN 53 HN ASN 53 -14.125 0.982 -10.767 387 HA ASN 53 HA ASN 53 -15.767 1.567 -8.431 388 HB2 ASN 53 HB2 ASN 53 -15.911 -0.891 -7.936 389 HB3 ASN 53 HB1 ASN 53 -16.794 -0.372 -9.352 390 HD21 ASN 53 HD21 ASN 53 -13.263 -0.978 -9.356 391 HD22 ASN 53 HD22 ASN 53 -13.379 -2.383 -10.348 392 H ARG 54 HN ARG 54 -15.000 1.189 -6.409 393 HA ARG 54 HA ARG 54 -12.307 1.854 -6.058 394 HB2 ARG 54 HB2 ARG 54 -14.076 2.388 -4.397 395 HB3 ARG 54 HB1 ARG 54 -14.192 0.683 -3.987 396 HG2 ARG 54 HG2 ARG 54 -11.861 0.723 -3.225 397 HG3 ARG 54 HG1 ARG 54 -11.780 2.436 -3.628 398 HD2 ARG 54 HD2 ARG 54 -12.153 2.233 -1.262 399 HD3 ARG 54 HD1 ARG 54 -13.626 2.847 -2.005 400 HE ARG 54 HE ARG 54 -13.517 -0.006 -1.683 401 HH11 ARG 54 HH11 ARG 54 -14.607 3.046 -0.251 402 HH12 ARG 54 HH12 ARG 54 -15.681 2.327 0.853 403 HH21 ARG 54 HH21 ARG 54 -14.974 -1.005 -0.153 404 HH22 ARG 54 HH22 ARG 54 -15.913 -0.058 0.888 405 H THR 55 HN THR 55 -10.546 0.738 -5.795 406 HA THR 55 HA THR 55 -10.648 -2.189 -5.756 407 HB THR 55 HB THR 55 -8.365 -0.343 -6.551 408 HG1 THR 55 HG1 THR 55 -10.594 -0.554 -7.770 409 HG21 THR 55 HG21 THR 55 -7.750 -2.669 -5.965 410 HG22 THR 55 HG22 THR 55 -7.510 -2.362 -7.685 411 HG23 THR 55 HG23 THR 55 -8.917 -3.272 -7.142 412 H VAL 56 HN VAL 56 -9.781 -3.033 -3.828 413 HA VAL 56 HA VAL 56 -9.386 -1.025 -1.872 414 HB VAL 56 HB VAL 56 -8.920 -3.916 -1.285 415 HG11 VAL 56 HG11 VAL 56 -9.718 -1.559 0.417 416 HG12 VAL 56 HG12 VAL 56 -8.087 -2.136 0.258 417 HG13 VAL 56 HG13 VAL 56 -9.317 -3.177 1.013 418 HG21 VAL 56 HG21 VAL 56 -11.096 -3.561 -2.236 419 HG22 VAL 56 HG22 VAL 56 -11.312 -2.248 -1.037 420 HG23 VAL 56 HG23 VAL 56 -11.118 -3.943 -0.489 421 HA PRO 57 HA PRO 57 -5.565 -2.591 -0.999 422 HB2 PRO 57 HB2 PRO 57 -3.760 -4.229 -2.243 423 HB3 PRO 57 HB1 PRO 57 -5.030 -4.769 -1.148 424 HG2 PRO 57 HG2 PRO 57 -5.152 -4.598 -4.146 425 HG3 PRO 57 HG1 PRO 57 -5.673 -5.930 -3.090 426 HD2 PRO 57 HD2 PRO 57 -7.411 -4.101 -4.074 427 HD3 PRO 57 HD1 PRO 57 -7.537 -4.928 -2.474 428 H THR 58 HN THR 58 -5.280 -0.485 -1.815 429 HA THR 58 HA THR 58 -3.630 0.114 -4.136 430 HB THR 58 HB THR 58 -5.763 1.650 -2.650 431 HG1 THR 58 HG1 THR 58 -6.970 0.381 -3.881 432 HG21 THR 58 HG21 THR 58 -4.298 2.344 -5.207 433 HG22 THR 58 HG22 THR 58 -4.131 3.199 -3.664 434 HG23 THR 58 HG23 THR 58 -5.665 3.234 -4.556 435 H VAL 59 HN VAL 59 -1.773 1.200 -3.663 436 HA VAL 59 HA VAL 59 -1.334 1.884 -0.846 437 HB VAL 59 HB VAL 59 -0.073 -0.136 -1.514 438 HG11 VAL 59 HG11 VAL 59 0.091 0.135 -3.820 439 HG12 VAL 59 HG12 VAL 59 1.742 0.061 -3.161 440 HG13 VAL 59 HG13 VAL 59 1.010 1.615 -3.621 441 HG21 VAL 59 HG21 VAL 59 1.726 2.257 -1.159 442 HG22 VAL 59 HG22 VAL 59 2.178 0.583 -0.877 443 HG23 VAL 59 HG23 VAL 59 0.974 1.345 0.142 444 H LYS 60 HN LYS 60 -0.280 3.741 -0.389 445 HA LYS 60 HA LYS 60 0.319 5.573 -2.611 446 HB2 LYS 60 HB2 LYS 60 -1.620 6.281 -1.177 447 HB3 LYS 60 HB1 LYS 60 -0.575 6.212 0.219 448 HG2 LYS 60 HG2 LYS 60 0.802 7.979 -0.862 449 HG3 LYS 60 HG1 LYS 60 -0.453 8.095 -2.099 450 HD2 LYS 60 HD2 LYS 60 -2.115 8.531 -0.349 451 HD3 LYS 60 HD1 LYS 60 -0.843 8.465 0.865 452 HE2 LYS 60 HE2 LYS 60 0.294 10.275 -0.473 453 HE3 LYS 60 HE1 LYS 60 -1.225 10.455 -1.333 454 HZ1 LYS 60 HZ1 LYS 60 -1.109 12.017 0.484 455 HZ2 LYS 60 HZ2 LYS 60 -0.878 10.777 1.602 456 HZ3 LYS 60 HZ3 LYS 60 -2.348 10.919 0.759 457 H PHE 61 HN PHE 61 2.366 6.252 -2.651 458 HA PHE 61 HA PHE 61 4.137 5.476 -0.434 459 HB2 PHE 61 HB2 PHE 61 4.779 6.100 -3.332 460 HB3 PHE 61 HB1 PHE 61 5.983 5.785 -2.098 461 HD1 PHE 61 HD1 PHE 61 3.324 4.288 -4.148 462 HD2 PHE 61 HD2 PHE 61 6.396 3.582 -1.291 463 HE1 PHE 61 HE1 PHE 61 3.177 1.848 -4.557 464 HE2 PHE 61 HE2 PHE 61 6.226 1.185 -1.704 465 HZ PHE 61 HZ PHE 61 4.625 0.321 -3.354 466 H ALA 62 HN ALA 62 6.138 7.028 -0.379 467 HA ALA 62 HA ALA 62 5.303 9.582 0.462 468 HB1 ALA 62 HB1 ALA 62 8.083 8.657 -0.287 469 HB2 ALA 62 HB2 ALA 62 7.338 8.481 1.300 470 HB3 ALA 62 HB3 ALA 62 7.695 10.088 0.669 471 H ASP 63 HN ASP 63 5.910 8.348 -2.579 472 HA ASP 63 HA ASP 63 6.708 10.615 -4.087 473 HB2 ASP 63 HB2 ASP 63 6.959 8.406 -5.001 474 HB3 ASP 63 HB1 ASP 63 5.252 8.059 -4.776 475 H GLY 64 HN GLY 64 3.726 9.663 -2.636 476 HA2 GLY 64 HA2 GLY 64 1.928 11.094 -2.296 477 HA3 GLY 64 HA1 GLY 64 2.462 12.071 -3.654 478 H SER 65 HN SER 65 2.712 9.480 -5.256 479 HA SER 65 HA SER 65 -0.047 9.525 -6.073 480 HB2 SER 65 HB2 SER 65 1.836 9.835 -7.704 481 HB3 SER 65 HB1 SER 65 2.313 8.166 -7.408 482 HG SER 65 HG SER 65 -0.290 8.882 -8.265 483 H THR 66 HN THR 66 -0.971 7.355 -6.764 484 HA THR 66 HA THR 66 -0.410 5.394 -4.681 485 HB THR 66 HB THR 66 -2.836 4.750 -5.023 486 HG1 THR 66 HG1 THR 66 -2.966 7.297 -6.295 487 HG21 THR 66 HG21 THR 66 -2.122 6.070 -3.098 488 HG22 THR 66 HG22 THR 66 -3.712 6.589 -3.653 489 HG23 THR 66 HG23 THR 66 -2.283 7.555 -4.036 490 H LEU 67 HN LEU 67 -0.200 3.325 -5.264 491 HA LEU 67 HA LEU 67 -0.430 2.687 -8.109 492 HB2 LEU 67 HB2 LEU 67 1.394 1.569 -5.993 493 HB3 LEU 67 HB1 LEU 67 0.979 0.593 -7.380 494 HG LEU 67 HG LEU 67 1.924 2.358 -8.845 495 HD11 LEU 67 HD11 LEU 67 1.772 4.293 -7.446 496 HD12 LEU 67 HD12 LEU 67 3.447 4.031 -7.932 497 HD13 LEU 67 HD13 LEU 67 2.932 3.623 -6.303 498 HD21 LEU 67 HD21 LEU 67 3.237 0.404 -8.340 499 HD22 LEU 67 HD22 LEU 67 3.844 1.119 -6.857 500 HD23 LEU 67 HD23 LEU 67 4.286 1.813 -8.412 501 H THR 68 HN THR 68 -1.983 1.436 -8.702 502 HA THR 68 HA THR 68 -3.578 0.107 -6.660 503 HB THR 68 HB THR 68 -4.229 0.716 -9.561 504 HG1 THR 68 HG1 THR 68 -3.921 2.420 -7.712 505 HG21 THR 68 HG21 THR 68 -6.551 0.301 -8.861 506 HG22 THR 68 HG22 THR 68 -5.997 -0.087 -7.234 507 HG23 THR 68 HG23 THR 68 -5.551 -1.125 -8.588 508 H ASN 69 HN ASN 69 -3.135 -1.960 -6.390 509 HA ASN 69 HA ASN 69 -2.541 -4.098 -6.664 510 HB2 ASN 69 HB2 ASN 69 -3.551 -3.664 -9.484 511 HB3 ASN 69 HB1 ASN 69 -3.051 -5.230 -8.875 512 HD21 ASN 69 HD21 ASN 69 -4.177 -4.931 -6.232 513 HD22 ASN 69 HD22 ASN 69 -5.889 -4.959 -6.448 514 HA PRO 70 HA PRO 70 1.524 -3.381 -8.743 515 HB2 PRO 70 HB2 PRO 70 3.069 -2.582 -6.767 516 HB3 PRO 70 HB1 PRO 70 1.911 -1.434 -7.459 517 HG2 PRO 70 HG2 PRO 70 1.681 -3.084 -4.976 518 HG3 PRO 70 HG1 PRO 70 1.320 -1.349 -5.180 519 HD2 PRO 70 HD2 PRO 70 -0.569 -3.377 -5.249 520 HD3 PRO 70 HD1 PRO 70 -0.763 -1.795 -6.036 521 H SER 71 HN SER 71 3.601 -4.617 -8.174 522 HA SER 71 HA SER 71 2.902 -7.127 -6.898 523 HB2 SER 71 HB2 SER 71 5.550 -6.307 -8.068 524 HB3 SER 71 HB1 SER 71 4.918 -7.935 -7.832 525 HG SER 71 HG SER 71 4.212 -5.977 -9.694 526 H ALA 72 HN ALA 72 4.101 -7.938 -5.093 527 HA ALA 72 HA ALA 72 4.715 -6.113 -3.066 528 HB1 ALA 72 HB1 ALA 72 5.573 -8.024 -1.824 529 HB2 ALA 72 HB2 ALA 72 5.629 -8.977 -3.306 530 HB3 ALA 72 HB3 ALA 72 4.077 -8.446 -2.658 531 H ASP 73 HN ASP 73 6.780 -7.806 -5.359 532 HA ASP 73 HA ASP 73 9.322 -7.101 -4.446 533 HB2 ASP 73 HB2 ASP 73 8.390 -7.333 -7.321 534 HB3 ASP 73 HB1 ASP 73 10.068 -7.304 -6.804 535 H GLU 74 HN GLU 74 7.080 -5.380 -6.513 536 HA GLU 74 HA GLU 74 8.794 -3.201 -7.102 537 HB2 GLU 74 HB2 GLU 74 5.787 -3.402 -7.244 538 HB3 GLU 74 HB1 GLU 74 6.741 -2.091 -7.918 539 HG2 GLU 74 HG2 GLU 74 7.796 -3.605 -9.464 540 HG3 GLU 74 HG1 GLU 74 6.954 -4.976 -8.750 541 H VAL 75 HN VAL 75 6.185 -3.722 -4.781 542 HA VAL 75 HA VAL 75 6.174 -1.156 -3.668 543 HB VAL 75 HB VAL 75 5.524 -3.768 -2.257 544 HG11 VAL 75 HG11 VAL 75 4.171 -2.407 -0.741 545 HG12 VAL 75 HG12 VAL 75 4.714 -0.944 -1.561 546 HG13 VAL 75 HG13 VAL 75 5.869 -1.938 -0.675 547 HG21 VAL 75 HG21 VAL 75 4.178 -3.460 -4.256 548 HG22 VAL 75 HG22 VAL 75 3.729 -1.842 -3.723 549 HG23 VAL 75 HG23 VAL 75 3.193 -3.252 -2.808 550 H LYS 76 HN LYS 76 8.035 -4.035 -2.808 551 HA LYS 76 HA LYS 76 9.344 -2.987 -0.532 552 HB2 LYS 76 HB2 LYS 76 9.143 -5.443 -1.494 553 HB3 LYS 76 HB1 LYS 76 10.583 -5.020 -2.382 554 HG2 LYS 76 HG2 LYS 76 10.377 -5.001 0.641 555 HG3 LYS 76 HG1 LYS 76 10.980 -6.353 -0.304 556 HD2 LYS 76 HD2 LYS 76 12.753 -4.764 -1.182 557 HD3 LYS 76 HD1 LYS 76 12.194 -3.618 0.034 558 HE2 LYS 76 HE2 LYS 76 13.168 -6.414 0.635 559 HE3 LYS 76 HE1 LYS 76 14.174 -4.991 0.782 560 HZ1 LYS 76 HZ1 LYS 76 11.676 -5.487 2.367 561 HZ2 LYS 76 HZ2 LYS 76 12.809 -4.217 2.625 562 HZ3 LYS 76 HZ3 LYS 76 13.238 -5.783 2.859 563 H ALA 77 HN ALA 77 10.218 -3.120 -3.963 564 HA ALA 77 HA ALA 77 12.737 -1.883 -3.718 565 HB1 ALA 77 HB1 ALA 77 10.941 -2.001 -6.135 566 HB2 ALA 77 HB2 ALA 77 12.075 -3.255 -5.637 567 HB3 ALA 77 HB3 ALA 77 12.672 -1.668 -6.125 568 H LYS 78 HN LYS 78 9.514 -0.562 -4.277 569 HA LYS 78 HA LYS 78 10.445 2.144 -4.688 570 HB2 LYS 78 HB2 LYS 78 7.725 1.165 -3.806 571 HB3 LYS 78 HB1 LYS 78 8.085 2.799 -4.339 572 HG2 LYS 78 HG2 LYS 78 8.218 0.314 -6.035 573 HG3 LYS 78 HG1 LYS 78 6.855 1.423 -5.969 574 HD2 LYS 78 HD2 LYS 78 8.332 3.217 -6.805 575 HD3 LYS 78 HD1 LYS 78 9.644 2.041 -6.934 576 HE2 LYS 78 HE2 LYS 78 8.336 0.710 -8.494 577 HE3 LYS 78 HE1 LYS 78 6.978 1.817 -8.328 578 HZ1 LYS 78 HZ1 LYS 78 9.624 2.462 -9.516 579 HZ2 LYS 78 HZ2 LYS 78 8.362 3.558 -9.299 580 HZ3 LYS 78 HZ3 LYS 78 8.159 2.262 -10.329 581 H LEU 79 HN LEU 79 9.358 0.222 -1.936 582 HA LEU 79 HA LEU 79 9.145 2.275 -0.072 583 HB2 LEU 79 HB2 LEU 79 8.462 -0.213 0.281 584 HB3 LEU 79 HB1 LEU 79 10.156 -0.488 0.530 585 HG LEU 79 HG LEU 79 10.027 1.234 2.381 586 HD11 LEU 79 HD11 LEU 79 7.867 2.246 2.011 587 HD12 LEU 79 HD12 LEU 79 7.831 1.357 3.525 588 HD13 LEU 79 HD13 LEU 79 7.098 0.663 2.092 589 HD21 LEU 79 HD21 LEU 79 9.276 -0.472 3.996 590 HD22 LEU 79 HD22 LEU 79 10.392 -1.111 2.787 591 HD23 LEU 79 HD23 LEU 79 8.664 -1.426 2.646 592 H VAL 80 HN VAL 80 11.824 0.112 -0.817 593 HA VAL 80 HA VAL 80 13.540 1.160 1.109 594 HB VAL 80 HB VAL 80 15.354 -0.004 -0.007 595 HG11 VAL 80 HG11 VAL 80 12.810 -1.574 0.253 596 HG12 VAL 80 HG12 VAL 80 13.955 -1.196 1.545 597 HG13 VAL 80 HG13 VAL 80 14.436 -2.261 0.220 598 HG21 VAL 80 HG21 VAL 80 14.819 -1.448 -1.982 599 HG22 VAL 80 HG22 VAL 80 14.863 0.291 -2.291 600 HG23 VAL 80 HG23 VAL 80 13.306 -0.519 -2.101 601 H LYS 81 HN LYS 81 13.093 2.153 -2.216 602 HA LYS 81 HA LYS 81 15.384 3.842 -2.151 603 HB2 LYS 81 HB2 LYS 81 14.492 4.880 -4.229 604 HB3 LYS 81 HB1 LYS 81 14.594 3.125 -4.307 605 HG2 LYS 81 HG2 LYS 81 12.300 2.872 -4.147 606 HG3 LYS 81 HG1 LYS 81 12.063 4.547 -3.653 607 HD2 LYS 81 HD2 LYS 81 11.449 4.066 -6.025 608 HD3 LYS 81 HD1 LYS 81 12.640 5.348 -5.828 609 HE2 LYS 81 HE2 LYS 81 13.217 3.887 -7.673 610 HE3 LYS 81 HE1 LYS 81 14.419 3.801 -6.389 611 HZ1 LYS 81 HZ1 LYS 81 13.908 1.646 -7.296 612 HZ2 LYS 81 HZ2 LYS 81 12.286 1.783 -6.901 613 HZ3 LYS 81 HZ3 LYS 81 13.459 1.674 -5.682 614 H ILE 82 HN ILE 82 12.015 4.288 -1.321 615 HA ILE 82 HA ILE 82 12.539 7.083 -1.017 616 HB ILE 82 HB ILE 82 10.180 7.406 -0.414 617 HG12 ILE 82 HG12 ILE 82 8.599 5.353 -0.789 618 HG13 ILE 82 HG11 ILE 82 10.021 4.382 -0.446 619 HG21 ILE 82 HG21 ILE 82 10.778 7.401 -2.757 620 HG22 ILE 82 HG22 ILE 82 9.163 6.731 -2.545 621 HG23 ILE 82 HG23 ILE 82 10.525 5.660 -2.845 622 HD11 ILE 82 HD11 ILE 82 8.722 6.364 1.410 623 HD12 ILE 82 HD12 ILE 82 10.164 5.418 1.776 624 HD13 ILE 82 HD13 ILE 82 8.618 4.606 1.514 625 H ALA 83 HN ALA 83 12.406 4.306 1.003 626 HA ALA 83 HA ALA 83 12.433 5.790 3.455 627 HB1 ALA 83 HB1 ALA 83 12.829 3.637 4.531 628 HB2 ALA 83 HB2 ALA 83 13.153 2.897 2.966 629 HB3 ALA 83 HB3 ALA 83 11.538 3.496 3.335 630 H GLY 84 HN GLY 84 14.894 4.130 1.483 631 HA2 GLY 84 HA2 GLY 84 17.037 4.924 1.149 632 HA3 GLY 84 HA1 GLY 84 16.827 6.004 2.516 633 H LEU 85 HN LEU 85 16.161 4.158 4.499 634 HA LEU 85 HA LEU 85 18.817 3.368 5.185 635 HB2 LEU 85 HB2 LEU 85 18.050 2.804 7.361 636 HB3 LEU 85 HB1 LEU 85 17.257 4.278 6.871 637 HG LEU 85 HG LEU 85 15.929 1.555 6.834 638 HD11 LEU 85 HD11 LEU 85 16.538 2.156 9.094 639 HD12 LEU 85 HD12 LEU 85 14.791 2.274 8.874 640 HD13 LEU 85 HD13 LEU 85 15.781 3.733 8.904 641 HD21 LEU 85 HD21 LEU 85 14.776 4.343 6.644 642 HD22 LEU 85 HD22 LEU 85 13.845 2.850 6.731 643 HD23 LEU 85 HD23 LEU 85 14.873 3.166 5.334 644 H GLU 86 HN GLU 86 16.678 1.688 3.344 645 HA GLU 86 HA GLU 86 18.053 -0.798 3.935 646 HB2 GLU 86 HB2 GLU 86 15.926 -0.910 5.233 647 HB3 GLU 86 HB1 GLU 86 15.024 -0.577 3.764 648 HG2 GLU 86 HG2 GLU 86 15.903 -2.692 2.800 649 HG3 GLU 86 HG1 GLU 86 16.692 -3.019 4.337 650 H HIS 87 HN HIS 87 18.070 -2.175 2.115 651 HA HIS 87 HA HIS 87 16.688 -1.306 -0.292 652 HB2 HIS 87 HB2 HIS 87 18.995 -0.403 -0.539 653 HB3 HIS 87 HB1 HIS 87 19.643 -2.009 -0.238 654 HD1 HIS 87 HD1 HIS 87 20.129 -3.350 -2.320 655 HD2 HIS 87 HD2 HIS 87 17.308 -0.370 -2.983 656 HE1 HIS 87 HE1 HIS 87 19.581 -3.436 -4.779 657 H HIS 88 HN HIS 88 19.060 -3.798 0.607 658 HA HIS 88 HA HIS 88 17.423 -5.889 1.147 659 HB2 HIS 88 HB2 HIS 88 16.644 -5.625 -1.258 660 HB3 HIS 88 HB1 HIS 88 18.278 -6.040 -1.773 661 HD1 HIS 88 HD1 HIS 88 18.601 -8.494 -2.220 662 HD2 HIS 88 HD2 HIS 88 15.464 -7.745 0.391 663 HE1 HIS 88 HE1 HIS 88 17.551 -10.729 -1.730 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 2.093 4.764 7.794 2 H2 MET 1 HT2 MET 1 3.206 5.681 6.920 3 H3 MET 1 HT3 MET 1 1.724 5.239 6.204 4 HA MET 1 HA MET 1 1.647 7.518 6.868 5 HB2 MET 1 HB2 MET 1 -0.429 6.288 6.941 6 HB3 MET 1 HB1 MET 1 -0.015 5.609 8.507 7 HG2 MET 1 HG2 MET 1 -0.264 7.753 9.555 8 HG3 MET 1 HG1 MET 1 -0.516 8.536 7.999 9 HE1 MET 1 HE1 MET 1 -1.992 5.017 9.033 10 HE2 MET 1 HE2 MET 1 -3.499 5.497 9.812 11 HE3 MET 1 HE3 MET 1 -1.955 5.904 10.557 12 H VAL 2 HN VAL 2 1.947 5.461 9.789 13 HA VAL 2 HA VAL 2 3.350 7.725 10.965 14 HB VAL 2 HB VAL 2 1.256 7.554 12.157 15 HG11 VAL 2 HG11 VAL 2 0.485 5.531 13.307 16 HG12 VAL 2 HG12 VAL 2 1.834 4.633 12.609 17 HG13 VAL 2 HG13 VAL 2 0.588 5.299 11.559 18 HG21 VAL 2 HG21 VAL 2 1.984 7.076 14.457 19 HG22 VAL 2 HG22 VAL 2 3.184 8.016 13.568 20 HG23 VAL 2 HG23 VAL 2 3.431 6.289 13.825 21 H THR 3 HN THR 3 5.346 7.236 10.636 22 HA THR 3 HA THR 3 7.360 6.334 10.852 23 HB THR 3 HB THR 3 6.120 4.246 12.679 24 HG1 THR 3 HG1 THR 3 6.081 6.718 13.048 25 HG21 THR 3 HG21 THR 3 8.982 5.234 12.433 26 HG22 THR 3 HG22 THR 3 8.396 3.669 11.871 27 HG23 THR 3 HG23 THR 3 8.402 4.040 13.596 28 H ALA 4 HN ALA 4 4.795 4.068 10.117 29 HA ALA 4 HA ALA 4 6.495 2.325 8.623 30 HB1 ALA 4 HB1 ALA 4 3.484 2.581 8.610 31 HB2 ALA 4 HB2 ALA 4 4.420 1.503 9.645 32 HB3 ALA 4 HB3 ALA 4 4.409 1.258 7.897 33 H ALA 5 HN ALA 5 6.973 2.424 6.510 34 HA ALA 5 HA ALA 5 6.728 4.896 5.153 35 HB1 ALA 5 HB1 ALA 5 8.685 3.445 4.944 36 HB2 ALA 5 HB2 ALA 5 7.964 3.778 3.366 37 HB3 ALA 5 HB3 ALA 5 7.694 2.223 4.153 38 H LEU 6 HN LEU 6 4.732 2.151 5.258 39 HA LEU 6 HA LEU 6 3.442 2.891 2.741 40 HB2 LEU 6 HB2 LEU 6 3.528 0.289 4.214 41 HB3 LEU 6 HB1 LEU 6 2.305 0.627 3.012 42 HG LEU 6 HG LEU 6 4.089 0.873 1.327 43 HD11 LEU 6 HD11 LEU 6 5.912 1.475 2.871 44 HD12 LEU 6 HD12 LEU 6 6.320 0.168 1.776 45 HD13 LEU 6 HD13 LEU 6 5.924 -0.191 3.464 46 HD21 LEU 6 HD21 LEU 6 2.907 -1.203 1.567 47 HD22 LEU 6 HD22 LEU 6 4.020 -1.721 2.834 48 HD23 LEU 6 HD23 LEU 6 4.599 -1.510 1.182 49 H THR 7 HN THR 7 1.414 3.416 2.680 50 HA THR 7 HA THR 7 -0.246 3.047 5.047 51 HB THR 7 HB THR 7 -0.406 5.277 2.994 52 HG1 THR 7 HG1 THR 7 1.234 5.989 4.090 53 HG21 THR 7 HG21 THR 7 -1.937 6.311 4.617 54 HG22 THR 7 HG22 THR 7 -1.770 4.905 5.674 55 HG23 THR 7 HG23 THR 7 -2.532 4.739 4.091 56 H ILE 8 HN ILE 8 -1.594 1.441 4.500 57 HA ILE 8 HA ILE 8 -2.203 1.080 1.671 58 HB ILE 8 HB ILE 8 -1.968 -0.980 3.865 59 HG12 ILE 8 HG12 ILE 8 -0.402 -0.516 1.330 60 HG13 ILE 8 HG11 ILE 8 0.153 -0.203 2.968 61 HG21 ILE 8 HG21 ILE 8 -3.818 -1.489 2.428 62 HG22 ILE 8 HG22 ILE 8 -2.529 -2.679 2.208 63 HG23 ILE 8 HG23 ILE 8 -2.806 -1.438 0.980 64 HD11 ILE 8 HD11 ILE 8 1.086 -2.253 2.083 65 HD12 ILE 8 HD12 ILE 8 -0.538 -2.888 1.816 66 HD13 ILE 8 HD13 ILE 8 0.031 -2.579 3.457 67 H TYR 9 HN TYR 9 -4.136 0.946 1.039 68 HA TYR 9 HA TYR 9 -6.301 1.531 2.855 69 HB2 TYR 9 HB2 TYR 9 -6.012 1.402 -0.122 70 HB3 TYR 9 HB1 TYR 9 -7.509 1.898 0.614 71 HD1 TYR 9 HD2 TYR 9 -7.475 4.046 2.034 72 HD2 TYR 9 HD1 TYR 9 -4.214 2.917 -0.446 73 HE1 TYR 9 HE2 TYR 9 -6.603 6.344 2.138 74 HE2 TYR 9 HE1 TYR 9 -3.333 5.200 -0.345 75 HH TYR 9 HH TYR 9 -4.210 7.473 0.080 76 H THR 10 HN THR 10 -7.235 -0.246 3.805 77 HA THR 10 HA THR 10 -7.843 -2.524 2.103 78 HB THR 10 HB THR 10 -7.376 -3.937 4.219 79 HG1 THR 10 HG1 THR 10 -6.903 -2.460 5.704 80 HG21 THR 10 HG21 THR 10 -6.090 -4.268 2.216 81 HG22 THR 10 HG22 THR 10 -4.959 -4.189 3.583 82 HG23 THR 10 HG23 THR 10 -5.176 -2.800 2.523 83 H THR 11 HN THR 11 -9.750 -3.573 2.550 84 HA THR 11 HA THR 11 -11.247 -2.747 4.884 85 HB THR 11 HB THR 11 -13.305 -3.058 3.437 86 HG1 THR 11 HG1 THR 11 -12.477 -2.535 1.061 87 HG21 THR 11 HG21 THR 11 -11.455 -0.816 2.594 88 HG22 THR 11 HG22 THR 11 -12.522 -0.800 3.998 89 HG23 THR 11 HG23 THR 11 -13.205 -0.847 2.373 90 H SER 12 HN SER 12 -12.857 -4.497 5.392 91 HA SER 12 HA SER 12 -11.670 -7.082 4.924 92 HB2 SER 12 HB2 SER 12 -13.446 -7.852 6.527 93 HB3 SER 12 HB1 SER 12 -12.370 -6.616 7.170 94 HG SER 12 HG SER 12 -13.952 -5.061 6.772 95 H TRP 13 HN TRP 13 -13.553 -5.248 3.098 96 HA TRP 13 HA TRP 13 -15.752 -7.020 2.475 97 HB2 TRP 13 HB2 TRP 13 -14.922 -4.523 0.991 98 HB3 TRP 13 HB1 TRP 13 -16.491 -5.309 0.982 99 HD1 TRP 13 HD1 TRP 13 -16.694 -5.491 4.284 100 HE1 TRP 13 HE1 TRP 13 -17.240 -3.308 5.550 101 HE3 TRP 13 HE3 TRP 13 -15.384 -2.084 0.692 102 HZ2 TRP 13 HZ2 TRP 13 -17.155 -0.536 5.082 103 HZ3 TRP 13 HZ3 TRP 13 -15.659 0.307 1.186 104 HH2 TRP 13 HH2 TRP 13 -16.528 1.061 3.331 105 H CYS 14 HN CYS 14 -12.712 -7.525 1.789 106 HA CYS 14 HA CYS 14 -13.259 -8.555 -0.858 107 HB2 CYS 14 HB2 CYS 14 -11.062 -7.584 -1.647 108 HB3 CYS 14 HB1 CYS 14 -12.394 -6.451 -1.466 109 H GLY 15 HN GLY 15 -11.349 -9.848 -1.624 110 HA2 GLY 15 HA2 GLY 15 -10.069 -11.221 0.642 111 HA3 GLY 15 HA1 GLY 15 -10.544 -12.011 -0.858 112 H TYR 16 HN TYR 16 -9.603 -9.943 -2.643 113 HA TYR 16 HA TYR 16 -6.945 -10.844 -2.914 114 HB2 TYR 16 HB2 TYR 16 -6.736 -9.426 -4.876 115 HB3 TYR 16 HB1 TYR 16 -8.332 -10.144 -4.867 116 HD1 TYR 16 HD1 TYR 16 -9.598 -8.116 -2.912 117 HD2 TYR 16 HD2 TYR 16 -7.133 -7.597 -6.329 118 HE1 TYR 16 HE1 TYR 16 -10.609 -5.908 -3.307 119 HE2 TYR 16 HE2 TYR 16 -8.135 -5.397 -6.718 120 HH TYR 16 HH TYR 16 -10.268 -4.274 -6.190 121 H CYS 17 HN CYS 17 -8.210 -8.235 -1.220 122 HA CYS 17 HA CYS 17 -5.893 -6.614 -1.033 123 HB2 CYS 17 HB2 CYS 17 -7.199 -5.821 1.053 124 HB3 CYS 17 HB1 CYS 17 -7.915 -5.536 -0.546 125 H LEU 18 HN LEU 18 -7.322 -9.183 0.941 126 HA LEU 18 HA LEU 18 -5.512 -9.061 3.073 127 HB2 LEU 18 HB2 LEU 18 -7.440 -11.086 2.099 128 HB3 LEU 18 HB1 LEU 18 -6.284 -11.539 3.332 129 HG LEU 18 HG LEU 18 -7.158 -9.663 4.746 130 HD11 LEU 18 HD11 LEU 18 -9.340 -9.521 2.689 131 HD12 LEU 18 HD12 LEU 18 -8.155 -8.265 3.052 132 HD13 LEU 18 HD13 LEU 18 -9.343 -8.735 4.267 133 HD21 LEU 18 HD21 LEU 18 -7.794 -11.917 5.092 134 HD22 LEU 18 HD22 LEU 18 -9.108 -11.765 3.915 135 HD23 LEU 18 HD23 LEU 18 -9.151 -10.838 5.426 136 H ARG 19 HN ARG 19 -5.414 -10.659 0.018 137 HA ARG 19 HA ARG 19 -3.358 -12.513 0.535 138 HB2 ARG 19 HB2 ARG 19 -4.002 -11.108 -2.060 139 HB3 ARG 19 HB1 ARG 19 -2.973 -12.523 -1.903 140 HG2 ARG 19 HG2 ARG 19 -5.918 -12.398 -1.266 141 HG3 ARG 19 HG1 ARG 19 -5.178 -13.141 -2.687 142 HD2 ARG 19 HD2 ARG 19 -3.989 -14.706 -1.235 143 HD3 ARG 19 HD1 ARG 19 -4.767 -13.983 0.170 144 HE ARG 19 HE ARG 19 -6.773 -14.702 -1.556 145 HH11 ARG 19 HH11 ARG 19 -4.203 -16.341 0.250 146 HH12 ARG 19 HH12 ARG 19 -5.023 -17.807 0.419 147 HH21 ARG 19 HH21 ARG 19 -7.940 -16.722 -1.339 148 HH22 ARG 19 HH22 ARG 19 -7.234 -18.036 -0.526 149 H LEU 20 HN LEU 20 -3.159 -9.258 -0.849 150 HA LEU 20 HA LEU 20 -0.355 -9.241 -0.928 151 HB2 LEU 20 HB2 LEU 20 -1.582 -7.717 -2.324 152 HB3 LEU 20 HB1 LEU 20 -2.379 -7.006 -0.940 153 HG LEU 20 HG LEU 20 0.012 -6.260 -0.261 154 HD11 LEU 20 HD11 LEU 20 1.433 -7.372 -1.850 155 HD12 LEU 20 HD12 LEU 20 1.425 -5.663 -2.218 156 HD13 LEU 20 HD13 LEU 20 0.459 -6.754 -3.189 157 HD21 LEU 20 HD21 LEU 20 -0.257 -4.181 -1.590 158 HD22 LEU 20 HD22 LEU 20 -1.714 -4.717 -0.759 159 HD23 LEU 20 HD23 LEU 20 -1.550 -4.992 -2.490 160 H LYS 21 HN LYS 21 -2.740 -8.097 1.361 161 HA LYS 21 HA LYS 21 -1.171 -6.620 3.108 162 HB2 LYS 21 HB2 LYS 21 -3.709 -6.808 3.012 163 HB3 LYS 21 HB1 LYS 21 -3.546 -8.311 3.903 164 HG2 LYS 21 HG2 LYS 21 -2.482 -7.108 5.734 165 HG3 LYS 21 HG1 LYS 21 -2.663 -5.602 4.838 166 HD2 LYS 21 HD2 LYS 21 -5.128 -5.953 4.862 167 HD3 LYS 21 HD1 LYS 21 -4.878 -7.370 5.880 168 HE2 LYS 21 HE2 LYS 21 -3.694 -5.936 7.533 169 HE3 LYS 21 HE1 LYS 21 -4.094 -4.535 6.548 170 HZ1 LYS 21 HZ1 LYS 21 -6.018 -6.320 7.927 171 HZ2 LYS 21 HZ2 LYS 21 -6.467 -5.052 6.922 172 HZ3 LYS 21 HZ3 LYS 21 -5.610 -4.736 8.351 173 H THR 22 HN THR 22 -2.045 -10.077 3.292 174 HA THR 22 HA THR 22 -0.514 -10.577 5.608 175 HB THR 22 HB THR 22 -0.810 -13.006 4.942 176 HG1 THR 22 HG1 THR 22 -2.621 -12.041 3.017 177 HG21 THR 22 HG21 THR 22 -3.288 -11.271 5.029 178 HG22 THR 22 HG22 THR 22 -2.406 -11.876 6.429 179 HG23 THR 22 HG23 THR 22 -3.241 -13.001 5.358 180 H ALA 23 HN ALA 23 0.200 -10.723 2.187 181 HA ALA 23 HA ALA 23 2.670 -12.113 2.291 182 HB1 ALA 23 HB1 ALA 23 3.103 -11.146 0.100 183 HB2 ALA 23 HB2 ALA 23 1.801 -9.978 0.337 184 HB3 ALA 23 HB3 ALA 23 1.428 -11.692 0.190 185 H LEU 24 HN LEU 24 1.957 -8.665 2.355 186 HA LEU 24 HA LEU 24 4.642 -7.859 2.650 187 HB2 LEU 24 HB2 LEU 24 2.133 -6.446 3.540 188 HB3 LEU 24 HB1 LEU 24 3.711 -5.700 3.371 189 HG LEU 24 HG LEU 24 2.031 -6.835 1.134 190 HD11 LEU 24 HD11 LEU 24 1.188 -4.753 2.022 191 HD12 LEU 24 HD12 LEU 24 1.851 -4.543 0.404 192 HD13 LEU 24 HD13 LEU 24 2.773 -4.011 1.811 193 HD21 LEU 24 HD21 LEU 24 4.400 -7.150 0.664 194 HD22 LEU 24 HD22 LEU 24 4.701 -5.449 1.032 195 HD23 LEU 24 HD23 LEU 24 3.717 -5.888 -0.360 196 H THR 25 HN THR 25 2.165 -8.715 4.955 197 HA THR 25 HA THR 25 3.454 -8.015 7.338 198 HB THR 25 HB THR 25 1.622 -10.398 6.861 199 HG1 THR 25 HG1 THR 25 0.660 -8.362 6.222 200 HG21 THR 25 HG21 THR 25 2.763 -10.486 9.036 201 HG22 THR 25 HG22 THR 25 1.046 -10.141 9.243 202 HG23 THR 25 HG23 THR 25 2.229 -8.843 9.389 203 H ALA 26 HN ALA 26 3.497 -11.070 5.507 204 HA ALA 26 HA ALA 26 5.283 -12.419 7.228 205 HB1 ALA 26 HB1 ALA 26 4.670 -12.981 4.336 206 HB2 ALA 26 HB2 ALA 26 3.735 -13.571 5.711 207 HB3 ALA 26 HB3 ALA 26 5.404 -14.097 5.486 208 H ASN 27 HN ASN 27 5.746 -10.420 4.453 209 HA ASN 27 HA ASN 27 8.532 -11.091 4.167 210 HB2 ASN 27 HB2 ASN 27 6.620 -9.350 2.780 211 HB3 ASN 27 HB1 ASN 27 8.350 -9.052 2.473 212 HD21 ASN 27 HD21 ASN 27 5.614 -11.080 1.968 213 HD22 ASN 27 HD22 ASN 27 6.345 -12.176 0.848 214 H ARG 28 HN ARG 28 7.113 -9.349 6.451 215 HA ARG 28 HA ARG 28 7.867 -7.972 8.072 216 HB2 ARG 28 HB2 ARG 28 10.502 -8.288 6.656 217 HB3 ARG 28 HB1 ARG 28 10.317 -7.300 8.093 218 HG2 ARG 28 HG2 ARG 28 9.566 -9.274 9.337 219 HG3 ARG 28 HG1 ARG 28 9.791 -10.255 7.884 220 HD2 ARG 28 HD2 ARG 28 11.706 -10.390 9.445 221 HD3 ARG 28 HD1 ARG 28 12.147 -9.764 7.856 222 HE ARG 28 HE ARG 28 11.521 -7.643 9.609 223 HH11 ARG 28 HH11 ARG 28 14.084 -10.014 9.035 224 HH12 ARG 28 HH12 ARG 28 15.333 -9.017 9.618 225 HH21 ARG 28 HH21 ARG 28 13.226 -6.260 10.359 226 HH22 ARG 28 HH22 ARG 28 14.830 -6.818 10.411 227 H ILE 29 HN ILE 29 6.787 -6.944 5.544 228 HA ILE 29 HA ILE 29 8.053 -4.330 5.432 229 HB ILE 29 HB ILE 29 5.808 -5.509 3.759 230 HG12 ILE 29 HG12 ILE 29 8.731 -5.015 3.061 231 HG13 ILE 29 HG11 ILE 29 8.005 -6.580 3.363 232 HG21 ILE 29 HG21 ILE 29 5.619 -3.083 3.945 233 HG22 ILE 29 HG22 ILE 29 6.113 -3.537 2.312 234 HG23 ILE 29 HG23 ILE 29 7.300 -2.900 3.451 235 HD11 ILE 29 HD11 ILE 29 7.302 -4.727 1.099 236 HD12 ILE 29 HD12 ILE 29 6.627 -6.335 1.383 237 HD13 ILE 29 HD13 ILE 29 8.335 -6.151 0.996 238 H ALA 30 HN ALA 30 7.348 -2.861 6.813 239 HA ALA 30 HA ALA 30 4.896 -3.191 8.262 240 HB1 ALA 30 HB1 ALA 30 5.551 -1.173 9.444 241 HB2 ALA 30 HB2 ALA 30 6.821 -0.888 8.251 242 HB3 ALA 30 HB3 ALA 30 6.917 -2.288 9.324 243 H TYR 31 HN TYR 31 3.080 -1.860 8.223 244 HA TYR 31 HA TYR 31 2.797 0.215 6.280 245 HB2 TYR 31 HB2 TYR 31 1.041 -0.902 4.969 246 HB3 TYR 31 HB1 TYR 31 2.574 -1.746 4.813 247 HD1 TYR 31 HD1 TYR 31 2.860 -3.985 5.778 248 HD2 TYR 31 HD2 TYR 31 -0.849 -1.926 6.108 249 HE1 TYR 31 HE1 TYR 31 1.759 -6.070 6.461 250 HE2 TYR 31 HE2 TYR 31 -1.949 -4.002 6.795 251 HH TYR 31 HH TYR 31 -0.162 -6.812 7.615 252 H ASP 32 HN ASP 32 1.018 1.452 6.739 253 HA ASP 32 HA ASP 32 -0.565 0.654 9.083 254 HB2 ASP 32 HB2 ASP 32 -0.297 3.354 7.734 255 HB3 ASP 32 HB1 ASP 32 -1.308 3.012 9.132 256 H GLU 33 HN GLU 33 -2.705 0.243 8.833 257 HA GLU 33 HA GLU 33 -3.702 0.385 6.094 258 HB2 GLU 33 HB2 GLU 33 -5.466 -1.156 6.811 259 HB3 GLU 33 HB1 GLU 33 -3.895 -1.766 7.244 260 HG2 GLU 33 HG2 GLU 33 -4.191 -1.038 9.555 261 HG3 GLU 33 HG1 GLU 33 -5.783 -0.413 9.145 262 H VAL 34 HN VAL 34 -5.542 1.510 5.572 263 HA VAL 34 HA VAL 34 -5.980 3.768 7.324 264 HB VAL 34 HB VAL 34 -7.130 3.425 4.541 265 HG11 VAL 34 HG11 VAL 34 -7.238 5.843 4.514 266 HG12 VAL 34 HG12 VAL 34 -6.570 5.901 6.142 267 HG13 VAL 34 HG13 VAL 34 -8.159 5.191 5.873 268 HG21 VAL 34 HG21 VAL 34 -5.199 4.694 3.740 269 HG22 VAL 34 HG22 VAL 34 -4.707 3.162 4.460 270 HG23 VAL 34 HG23 VAL 34 -4.509 4.663 5.361 271 H ASP 35 HN ASP 35 -7.860 4.507 8.037 272 HA ASP 35 HA ASP 35 -9.689 2.704 9.169 273 HB2 ASP 35 HB2 ASP 35 -8.828 4.863 10.136 274 HB3 ASP 35 HB1 ASP 35 -9.903 5.708 9.040 275 H ILE 36 HN ILE 36 -9.751 3.623 6.080 276 HA ILE 36 HA ILE 36 -12.048 4.905 5.271 277 HB ILE 36 HB ILE 36 -11.981 3.695 3.147 278 HG12 ILE 36 HG12 ILE 36 -9.721 2.087 4.340 279 HG13 ILE 36 HG11 ILE 36 -11.364 1.481 4.165 280 HG21 ILE 36 HG21 ILE 36 -9.289 4.542 4.186 281 HG22 ILE 36 HG22 ILE 36 -10.538 5.590 3.500 282 HG23 ILE 36 HG23 ILE 36 -9.754 4.379 2.490 283 HD11 ILE 36 HD11 ILE 36 -9.831 0.769 2.372 284 HD12 ILE 36 HD12 ILE 36 -9.703 2.497 1.912 285 HD13 ILE 36 HD13 ILE 36 -11.243 1.665 1.803 286 H GLU 37 HN GLU 37 -12.044 1.631 6.495 287 HA GLU 37 HA GLU 37 -14.433 0.771 5.235 288 HB2 GLU 37 HB2 GLU 37 -12.745 -0.747 6.323 289 HB3 GLU 37 HB1 GLU 37 -13.297 -0.157 7.883 290 HG2 GLU 37 HG2 GLU 37 -15.481 -1.089 7.516 291 HG3 GLU 37 HG1 GLU 37 -15.033 -1.573 5.884 292 H HIS 38 HN HIS 38 -13.710 2.742 7.923 293 HA HIS 38 HA HIS 38 -16.571 3.069 8.543 294 HB2 HIS 38 HB2 HIS 38 -14.116 3.682 10.211 295 HB3 HIS 38 HB1 HIS 38 -15.746 4.154 10.657 296 HD1 HIS 38 HD1 HIS 38 -16.975 2.519 12.081 297 HD2 HIS 38 HD2 HIS 38 -13.782 0.772 10.087 298 HE1 HIS 38 HE1 HIS 38 -16.758 0.187 13.019 299 H ASN 39 HN ASN 39 -13.482 4.725 8.078 300 HA ASN 39 HA ASN 39 -14.526 7.360 8.143 301 HB2 ASN 39 HB2 ASN 39 -12.171 6.820 8.607 302 HB3 ASN 39 HB1 ASN 39 -11.954 6.414 6.915 303 HD21 ASN 39 HD21 ASN 39 -10.565 7.974 6.376 304 HD22 ASN 39 HD22 ASN 39 -10.768 9.656 6.551 305 H ARG 40 HN ARG 40 -15.848 8.084 6.735 306 HA ARG 40 HA ARG 40 -16.046 7.124 4.069 307 HB2 ARG 40 HB2 ARG 40 -17.802 8.762 3.820 308 HB3 ARG 40 HB1 ARG 40 -17.969 7.952 5.370 309 HG2 ARG 40 HG2 ARG 40 -16.756 9.945 6.374 310 HG3 ARG 40 HG1 ARG 40 -17.005 10.742 4.822 311 HD2 ARG 40 HD2 ARG 40 -18.776 11.383 6.289 312 HD3 ARG 40 HD1 ARG 40 -19.441 10.299 5.067 313 HE ARG 40 HE ARG 40 -18.596 8.960 7.454 314 HH11 ARG 40 HH11 ARG 40 -21.323 10.615 5.908 315 HH12 ARG 40 HH12 ARG 40 -22.469 9.959 6.990 316 HH21 ARG 40 HH21 ARG 40 -20.196 8.083 8.893 317 HH22 ARG 40 HH22 ARG 40 -21.841 8.519 8.679 318 H ALA 41 HN ALA 41 -14.220 9.656 5.589 319 HA ALA 41 HA ALA 41 -14.049 11.261 3.279 320 HB1 ALA 41 HB1 ALA 41 -12.204 11.482 5.660 321 HB2 ALA 41 HB2 ALA 41 -13.796 12.201 5.550 322 HB3 ALA 41 HB3 ALA 41 -12.535 12.697 4.429 323 H ALA 42 HN ALA 42 -11.622 9.146 4.699 324 HA ALA 42 HA ALA 42 -9.887 9.583 2.479 325 HB1 ALA 42 HB1 ALA 42 -8.994 8.941 4.670 326 HB2 ALA 42 HB2 ALA 42 -8.493 7.807 3.415 327 HB3 ALA 42 HB3 ALA 42 -9.785 7.373 4.534 328 H ALA 43 HN ALA 43 -12.572 7.545 3.038 329 HA ALA 43 HA ALA 43 -11.983 5.429 1.301 330 HB1 ALA 43 HB1 ALA 43 -14.373 4.969 1.360 331 HB2 ALA 43 HB2 ALA 43 -14.670 6.571 2.043 332 HB3 ALA 43 HB3 ALA 43 -13.771 5.373 2.970 333 H GLU 44 HN GLU 44 -13.479 8.573 0.765 334 HA GLU 44 HA GLU 44 -14.045 8.088 -1.985 335 HB2 GLU 44 HB2 GLU 44 -13.882 10.644 -0.390 336 HB3 GLU 44 HB1 GLU 44 -14.391 10.573 -2.071 337 HG2 GLU 44 HG2 GLU 44 -15.744 9.028 0.114 338 HG3 GLU 44 HG1 GLU 44 -16.234 10.649 -0.362 339 H PHE 45 HN PHE 45 -11.334 9.290 -0.207 340 HA PHE 45 HA PHE 45 -9.875 10.345 -2.396 341 HB2 PHE 45 HB2 PHE 45 -9.333 10.972 -0.080 342 HB3 PHE 45 HB1 PHE 45 -8.890 9.310 0.281 343 HD1 PHE 45 HD1 PHE 45 -7.996 12.111 -1.997 344 HD2 PHE 45 HD2 PHE 45 -6.664 8.687 0.141 345 HE1 PHE 45 HE1 PHE 45 -5.680 12.614 -2.642 346 HE2 PHE 45 HE2 PHE 45 -4.337 9.194 -0.499 347 HZ PHE 45 HZ PHE 45 -3.847 11.156 -1.891 348 H VAL 46 HN VAL 46 -10.188 7.169 -0.971 349 HA VAL 46 HA VAL 46 -8.191 5.728 -2.265 350 HB VAL 46 HB VAL 46 -11.026 4.858 -1.591 351 HG11 VAL 46 HG11 VAL 46 -10.186 2.557 -1.691 352 HG12 VAL 46 HG12 VAL 46 -8.633 3.162 -2.280 353 HG13 VAL 46 HG13 VAL 46 -10.083 3.358 -3.260 354 HG21 VAL 46 HG21 VAL 46 -9.692 5.576 0.319 355 HG22 VAL 46 HG22 VAL 46 -8.439 4.421 -0.136 356 HG23 VAL 46 HG23 VAL 46 -10.031 3.844 0.355 357 H GLY 47 HN GLY 47 -11.550 6.228 -3.288 358 HA2 GLY 47 HA2 GLY 47 -11.339 4.998 -5.791 359 HA3 GLY 47 HA1 GLY 47 -12.541 6.204 -5.354 360 H SER 48 HN SER 48 -10.609 8.223 -4.765 361 HA SER 48 HA SER 48 -10.412 9.432 -7.301 362 HB2 SER 48 HB2 SER 48 -9.047 10.197 -4.722 363 HB3 SER 48 HB1 SER 48 -9.268 11.236 -6.130 364 HG SER 48 HG SER 48 -11.372 10.098 -4.549 365 H VAL 49 HN VAL 49 -7.939 7.861 -5.235 366 HA VAL 49 HA VAL 49 -5.896 8.489 -7.176 367 HB VAL 49 HB VAL 49 -4.307 7.254 -5.750 368 HG11 VAL 49 HG11 VAL 49 -6.035 9.215 -4.255 369 HG12 VAL 49 HG12 VAL 49 -4.681 9.598 -5.319 370 HG13 VAL 49 HG13 VAL 49 -4.398 8.745 -3.803 371 HG21 VAL 49 HG21 VAL 49 -5.788 5.519 -4.868 372 HG22 VAL 49 HG22 VAL 49 -6.689 6.732 -3.960 373 HG23 VAL 49 HG23 VAL 49 -5.006 6.394 -3.549 374 H ASN 50 HN ASN 50 -8.041 5.939 -6.655 375 HA ASN 50 HA ASN 50 -6.596 3.999 -8.209 376 HB2 ASN 50 HB2 ASN 50 -9.525 4.168 -7.463 377 HB3 ASN 50 HB1 ASN 50 -8.799 2.816 -8.311 378 HD21 ASN 50 HD21 ASN 50 -6.351 2.739 -6.704 379 HD22 ASN 50 HD22 ASN 50 -6.836 2.156 -5.171 380 H GLY 51 HN GLY 51 -9.379 6.127 -8.739 381 HA2 GLY 51 HA2 GLY 51 -8.908 7.279 -11.046 382 HA3 GLY 51 HA1 GLY 51 -9.299 5.649 -11.593 383 H GLY 52 HN GLY 52 -11.328 5.102 -11.795 384 HA2 GLY 52 HA2 GLY 52 -13.374 7.032 -10.929 385 HA3 GLY 52 HA1 GLY 52 -13.567 5.851 -12.223 386 H ASN 53 HN ASN 53 -12.477 3.673 -10.766 387 HA ASN 53 HA ASN 53 -14.777 3.071 -9.028 388 HB2 ASN 53 HB2 ASN 53 -12.858 1.205 -10.458 389 HB3 ASN 53 HB1 ASN 53 -14.206 0.702 -9.453 390 HD21 ASN 53 HD21 ASN 53 -16.284 0.839 -10.279 391 HD22 ASN 53 HD22 ASN 53 -16.583 1.100 -11.949 392 H ARG 54 HN ARG 54 -14.357 2.138 -6.973 393 HA ARG 54 HA ARG 54 -11.743 2.725 -5.915 394 HB2 ARG 54 HB2 ARG 54 -14.094 1.324 -4.619 395 HB3 ARG 54 HB1 ARG 54 -12.584 1.697 -3.823 396 HG2 ARG 54 HG2 ARG 54 -13.049 4.101 -4.140 397 HG3 ARG 54 HG1 ARG 54 -14.626 3.667 -4.823 398 HD2 ARG 54 HD2 ARG 54 -15.182 2.469 -2.754 399 HD3 ARG 54 HD1 ARG 54 -13.624 2.929 -2.070 400 HE ARG 54 HE ARG 54 -14.890 5.243 -2.815 401 HH11 ARG 54 HH11 ARG 54 -15.504 2.574 -0.571 402 HH12 ARG 54 HH12 ARG 54 -16.346 3.514 0.571 403 HH21 ARG 54 HH21 ARG 54 -16.031 6.580 -1.220 404 HH22 ARG 54 HH22 ARG 54 -16.612 5.844 0.205 405 H THR 55 HN THR 55 -10.192 1.344 -5.563 406 HA THR 55 HA THR 55 -10.636 -1.512 -6.074 407 HB THR 55 HB THR 55 -8.021 0.027 -6.313 408 HG1 THR 55 HG1 THR 55 -9.928 0.657 -7.739 409 HG21 THR 55 HG21 THR 55 -7.918 -2.443 -6.150 410 HG22 THR 55 HG22 THR 55 -7.403 -1.881 -7.740 411 HG23 THR 55 HG23 THR 55 -9.009 -2.572 -7.527 412 H VAL 56 HN VAL 56 -9.405 -2.814 -4.382 413 HA VAL 56 HA VAL 56 -9.273 -1.089 -2.090 414 HB VAL 56 HB VAL 56 -8.888 -4.057 -1.915 415 HG11 VAL 56 HG11 VAL 56 -9.127 -3.651 0.501 416 HG12 VAL 56 HG12 VAL 56 -9.484 -1.959 0.165 417 HG13 VAL 56 HG13 VAL 56 -7.874 -2.547 -0.124 418 HG21 VAL 56 HG21 VAL 56 -11.097 -3.357 -2.692 419 HG22 VAL 56 HG22 VAL 56 -11.125 -2.269 -1.272 420 HG23 VAL 56 HG23 VAL 56 -11.082 -4.036 -1.035 421 HA PRO 57 HA PRO 57 -5.604 -2.648 -1.084 422 HB2 PRO 57 HB2 PRO 57 -3.683 -4.237 -2.266 423 HB3 PRO 57 HB1 PRO 57 -5.017 -4.787 -1.260 424 HG2 PRO 57 HG2 PRO 57 -4.824 -4.793 -4.226 425 HG3 PRO 57 HG1 PRO 57 -5.724 -5.883 -3.161 426 HD2 PRO 57 HD2 PRO 57 -6.757 -3.716 -4.607 427 HD3 PRO 57 HD1 PRO 57 -7.576 -4.647 -3.353 428 H THR 58 HN THR 58 -4.977 -0.562 -1.476 429 HA THR 58 HA THR 58 -3.278 0.201 -3.713 430 HB THR 58 HB THR 58 -5.348 1.737 -2.146 431 HG1 THR 58 HG1 THR 58 -6.397 0.280 -3.345 432 HG21 THR 58 HG21 THR 58 -3.613 3.202 -3.161 433 HG22 THR 58 HG22 THR 58 -5.186 3.386 -3.968 434 HG23 THR 58 HG23 THR 58 -3.926 2.427 -4.722 435 H VAL 59 HN VAL 59 -1.405 1.092 -3.057 436 HA VAL 59 HA VAL 59 -1.087 1.606 -0.196 437 HB VAL 59 HB VAL 59 0.176 -0.388 -0.775 438 HG11 VAL 59 HG11 VAL 59 0.323 -0.153 -3.117 439 HG12 VAL 59 HG12 VAL 59 1.953 -0.354 -2.449 440 HG13 VAL 59 HG13 VAL 59 1.367 1.249 -2.944 441 HG21 VAL 59 HG21 VAL 59 1.268 1.123 0.810 442 HG22 VAL 59 HG22 VAL 59 2.040 1.972 -0.528 443 HG23 VAL 59 HG23 VAL 59 2.459 0.292 -0.191 444 H LYS 60 HN LYS 60 -0.393 3.486 0.388 445 HA LYS 60 HA LYS 60 0.610 5.356 -1.631 446 HB2 LYS 60 HB2 LYS 60 -1.424 6.028 -0.355 447 HB3 LYS 60 HB1 LYS 60 -0.512 5.869 1.137 448 HG2 LYS 60 HG2 LYS 60 0.970 7.673 0.365 449 HG3 LYS 60 HG1 LYS 60 -0.026 7.837 -1.085 450 HD2 LYS 60 HD2 LYS 60 -1.995 8.227 0.401 451 HD3 LYS 60 HD1 LYS 60 -0.891 8.246 1.773 452 HE2 LYS 60 HE2 LYS 60 -0.832 10.103 -0.587 453 HE3 LYS 60 HE1 LYS 60 -1.430 10.497 1.023 454 HZ1 LYS 60 HZ1 LYS 60 1.388 9.824 0.316 455 HZ2 LYS 60 HZ2 LYS 60 0.822 10.121 1.874 456 HZ3 LYS 60 HZ3 LYS 60 0.775 11.336 0.714 457 H PHE 61 HN PHE 61 2.727 5.534 -1.601 458 HA PHE 61 HA PHE 61 4.235 4.631 0.710 459 HB2 PHE 61 HB2 PHE 61 5.075 5.479 -2.062 460 HB3 PHE 61 HB1 PHE 61 6.230 5.125 -0.789 461 HD1 PHE 61 HD2 PHE 61 3.744 3.703 -3.076 462 HD2 PHE 61 HD1 PHE 61 6.629 2.877 -0.066 463 HE1 PHE 61 HE2 PHE 61 3.678 1.301 -3.657 464 HE2 PHE 61 HE1 PHE 61 6.561 0.487 -0.655 465 HZ PHE 61 HZ PHE 61 5.082 -0.289 -2.456 466 H ALA 62 HN ALA 62 5.839 5.898 1.701 467 HA ALA 62 HA ALA 62 5.109 8.490 2.426 468 HB1 ALA 62 HB1 ALA 62 6.521 7.024 3.795 469 HB2 ALA 62 HB2 ALA 62 7.267 8.602 3.548 470 HB3 ALA 62 HB3 ALA 62 7.831 7.207 2.629 471 H ASP 63 HN ASP 63 6.890 7.386 -0.266 472 HA ASP 63 HA ASP 63 8.295 9.807 -0.879 473 HB2 ASP 63 HB2 ASP 63 8.946 7.532 -1.723 474 HB3 ASP 63 HB1 ASP 63 7.527 7.554 -2.757 475 H GLY 64 HN GLY 64 5.028 8.863 -1.134 476 HA2 GLY 64 HA2 GLY 64 3.433 10.608 -1.535 477 HA3 GLY 64 HA1 GLY 64 4.489 11.229 -2.790 478 H SER 65 HN SER 65 4.911 8.318 -3.587 479 HA SER 65 HA SER 65 3.057 8.300 -5.718 480 HB2 SER 65 HB2 SER 65 4.801 6.053 -4.745 481 HB3 SER 65 HB1 SER 65 4.190 6.313 -6.377 482 HG SER 65 HG SER 65 5.424 8.228 -6.447 483 H THR 66 HN THR 66 1.149 7.140 -5.966 484 HA THR 66 HA THR 66 0.428 5.285 -3.832 485 HB THR 66 HB THR 66 -1.919 5.669 -4.724 486 HG1 THR 66 HG1 THR 66 -1.684 6.555 -6.647 487 HG21 THR 66 HG21 THR 66 -2.222 7.849 -3.605 488 HG22 THR 66 HG22 THR 66 -0.474 8.091 -3.624 489 HG23 THR 66 HG23 THR 66 -1.174 6.777 -2.678 490 H LEU 67 HN LEU 67 -0.042 3.239 -4.455 491 HA LEU 67 HA LEU 67 -0.010 2.639 -7.319 492 HB2 LEU 67 HB2 LEU 67 1.575 1.309 -5.141 493 HB3 LEU 67 HB1 LEU 67 1.091 0.395 -6.545 494 HG LEU 67 HG LEU 67 2.316 2.065 -7.943 495 HD11 LEU 67 HD11 LEU 67 3.435 3.097 -5.347 496 HD12 LEU 67 HD12 LEU 67 2.467 3.959 -6.526 497 HD13 LEU 67 HD13 LEU 67 4.079 3.412 -6.955 498 HD21 LEU 67 HD21 LEU 67 4.540 1.138 -7.456 499 HD22 LEU 67 HD22 LEU 67 3.264 -0.068 -7.544 500 HD23 LEU 67 HD23 LEU 67 3.896 0.416 -5.981 501 H THR 68 HN THR 68 -1.696 1.620 -7.954 502 HA THR 68 HA THR 68 -3.431 0.333 -6.005 503 HB THR 68 HB THR 68 -3.876 1.113 -8.901 504 HG1 THR 68 HG1 THR 68 -3.691 2.797 -7.190 505 HG21 THR 68 HG21 THR 68 -6.255 0.655 -8.455 506 HG22 THR 68 HG22 THR 68 -5.833 0.098 -6.835 507 HG23 THR 68 HG23 THR 68 -5.270 -0.793 -8.248 508 H ASN 69 HN ASN 69 -3.262 -1.812 -5.777 509 HA ASN 69 HA ASN 69 -2.808 -3.960 -6.053 510 HB2 ASN 69 HB2 ASN 69 -3.786 -3.368 -8.836 511 HB3 ASN 69 HB1 ASN 69 -3.300 -4.985 -8.358 512 HD21 ASN 69 HD21 ASN 69 -5.360 -5.766 -8.716 513 HD22 ASN 69 HD22 ASN 69 -6.674 -5.420 -7.670 514 HA PRO 70 HA PRO 70 1.364 -4.014 -7.915 515 HB2 PRO 70 HB2 PRO 70 2.923 -3.410 -5.886 516 HB3 PRO 70 HB1 PRO 70 2.017 -2.107 -6.670 517 HG2 PRO 70 HG2 PRO 70 1.395 -3.581 -4.142 518 HG3 PRO 70 HG1 PRO 70 1.337 -1.828 -4.437 519 HD2 PRO 70 HD2 PRO 70 -0.871 -3.533 -4.551 520 HD3 PRO 70 HD1 PRO 70 -0.756 -1.958 -5.363 521 H SER 71 HN SER 71 3.048 -5.663 -7.376 522 HA SER 71 HA SER 71 2.024 -7.823 -5.725 523 HB2 SER 71 HB2 SER 71 4.597 -7.754 -7.314 524 HB3 SER 71 HB1 SER 71 3.686 -9.169 -6.785 525 HG SER 71 HG SER 71 3.118 -7.308 -8.781 526 H ALA 72 HN ALA 72 3.392 -8.774 -4.069 527 HA ALA 72 HA ALA 72 4.347 -6.931 -2.215 528 HB1 ALA 72 HB1 ALA 72 5.145 -8.855 -0.945 529 HB2 ALA 72 HB2 ALA 72 4.984 -9.878 -2.371 530 HB3 ALA 72 HB3 ALA 72 3.551 -9.176 -1.627 531 H ASP 73 HN ASP 73 6.065 -8.790 -4.631 532 HA ASP 73 HA ASP 73 8.674 -8.152 -3.718 533 HB2 ASP 73 HB2 ASP 73 8.162 -10.046 -5.263 534 HB3 ASP 73 HB1 ASP 73 7.873 -8.867 -6.539 535 H GLU 74 HN GLU 74 6.455 -6.616 -5.926 536 HA GLU 74 HA GLU 74 8.241 -4.677 -6.977 537 HB2 GLU 74 HB2 GLU 74 5.227 -4.595 -6.696 538 HB3 GLU 74 HB1 GLU 74 6.180 -3.471 -7.646 539 HG2 GLU 74 HG2 GLU 74 6.878 -5.268 -9.120 540 HG3 GLU 74 HG1 GLU 74 5.964 -6.425 -8.157 541 H VAL 75 HN VAL 75 6.122 -4.842 -4.225 542 HA VAL 75 HA VAL 75 6.425 -2.187 -3.328 543 HB VAL 75 HB VAL 75 5.742 -4.704 -1.766 544 HG11 VAL 75 HG11 VAL 75 5.365 -1.813 -0.993 545 HG12 VAL 75 HG12 VAL 75 6.504 -2.947 -0.267 546 HG13 VAL 75 HG13 VAL 75 4.769 -3.210 -0.098 547 HG21 VAL 75 HG21 VAL 75 3.972 -2.587 -2.974 548 HG22 VAL 75 HG22 VAL 75 3.427 -3.943 -1.987 549 HG23 VAL 75 HG23 VAL 75 4.174 -4.238 -3.558 550 H LYS 76 HN LYS 76 8.087 -5.195 -2.464 551 HA LYS 76 HA LYS 76 9.856 -4.262 -0.563 552 HB2 LYS 76 HB2 LYS 76 9.695 -6.588 -0.874 553 HB3 LYS 76 HB1 LYS 76 10.084 -6.482 -2.586 554 HG2 LYS 76 HG2 LYS 76 12.389 -5.876 -2.015 555 HG3 LYS 76 HG1 LYS 76 11.983 -5.963 -0.300 556 HD2 LYS 76 HD2 LYS 76 11.549 -8.309 -0.454 557 HD3 LYS 76 HD1 LYS 76 11.687 -8.278 -2.209 558 HE2 LYS 76 HE2 LYS 76 13.928 -7.606 -0.310 559 HE3 LYS 76 HE1 LYS 76 13.697 -9.185 -1.065 560 HZ1 LYS 76 HZ1 LYS 76 15.299 -7.825 -2.292 561 HZ2 LYS 76 HZ2 LYS 76 14.135 -6.638 -2.572 562 HZ3 LYS 76 HZ3 LYS 76 13.949 -8.166 -3.224 563 H ALA 77 HN ALA 77 10.233 -4.217 -4.064 564 HA ALA 77 HA ALA 77 12.879 -3.150 -4.095 565 HB1 ALA 77 HB1 ALA 77 12.488 -2.738 -6.465 566 HB2 ALA 77 HB2 ALA 77 10.757 -2.997 -6.243 567 HB3 ALA 77 HB3 ALA 77 11.884 -4.334 -6.020 568 H LYS 78 HN LYS 78 9.828 -1.688 -3.558 569 HA LYS 78 HA LYS 78 10.884 0.955 -4.070 570 HB2 LYS 78 HB2 LYS 78 8.245 0.082 -2.878 571 HB3 LYS 78 HB1 LYS 78 8.694 1.752 -3.179 572 HG2 LYS 78 HG2 LYS 78 8.462 -0.371 -5.300 573 HG3 LYS 78 HG1 LYS 78 7.206 0.804 -4.907 574 HD2 LYS 78 HD2 LYS 78 8.705 2.630 -5.536 575 HD3 LYS 78 HD1 LYS 78 9.992 1.474 -5.865 576 HE2 LYS 78 HE2 LYS 78 8.876 2.234 -7.926 577 HE3 LYS 78 HE1 LYS 78 8.710 0.498 -7.677 578 HZ1 LYS 78 HZ1 LYS 78 6.488 0.885 -6.846 579 HZ2 LYS 78 HZ2 LYS 78 6.664 1.443 -8.408 580 HZ3 LYS 78 HZ3 LYS 78 6.638 2.552 -7.116 581 H LEU 79 HN LEU 79 10.169 -1.100 -1.285 582 HA LEU 79 HA LEU 79 10.640 0.808 0.718 583 HB2 LEU 79 HB2 LEU 79 10.910 -2.174 0.725 584 HB3 LEU 79 HB1 LEU 79 11.573 -1.276 2.062 585 HG LEU 79 HG LEU 79 9.368 -2.231 2.588 586 HD11 LEU 79 HD11 LEU 79 10.110 -0.162 3.677 587 HD12 LEU 79 HD12 LEU 79 8.391 -0.463 3.622 588 HD13 LEU 79 HD13 LEU 79 9.066 0.752 2.562 589 HD21 LEU 79 HD21 LEU 79 8.459 -2.147 0.309 590 HD22 LEU 79 HD22 LEU 79 8.300 -0.395 0.472 591 HD23 LEU 79 HD23 LEU 79 7.377 -1.482 1.524 592 H VAL 80 HN VAL 80 12.907 -1.197 -0.967 593 HA VAL 80 HA VAL 80 15.120 -0.464 0.577 594 HB VAL 80 HB VAL 80 16.511 -1.329 -1.334 595 HG11 VAL 80 HG11 VAL 80 14.141 -3.021 -0.585 596 HG12 VAL 80 HG12 VAL 80 15.659 -2.886 0.309 597 HG13 VAL 80 HG13 VAL 80 15.639 -3.620 -1.292 598 HG21 VAL 80 HG21 VAL 80 15.168 -0.545 -3.185 599 HG22 VAL 80 HG22 VAL 80 13.850 -1.595 -2.691 600 HG23 VAL 80 HG23 VAL 80 15.360 -2.298 -3.274 601 H LYS 81 HN LYS 81 13.706 1.024 -2.272 602 HA LYS 81 HA LYS 81 15.779 2.991 -2.329 603 HB2 LYS 81 HB2 LYS 81 14.732 3.907 -4.348 604 HB3 LYS 81 HB1 LYS 81 15.002 2.173 -4.466 605 HG2 LYS 81 HG2 LYS 81 12.696 1.743 -4.067 606 HG3 LYS 81 HG1 LYS 81 12.371 3.465 -3.866 607 HD2 LYS 81 HD2 LYS 81 13.389 2.135 -6.389 608 HD3 LYS 81 HD1 LYS 81 11.736 2.685 -6.117 609 HE2 LYS 81 HE2 LYS 81 12.557 4.993 -5.882 610 HE3 LYS 81 HE1 LYS 81 14.202 4.441 -6.201 611 HZ1 LYS 81 HZ1 LYS 81 11.901 4.295 -8.048 612 HZ2 LYS 81 HZ2 LYS 81 13.428 3.671 -8.371 613 HZ3 LYS 81 HZ3 LYS 81 13.227 5.335 -8.179 614 H ILE 82 HN ILE 82 12.276 3.154 -1.664 615 HA ILE 82 HA ILE 82 12.430 5.967 -1.451 616 HB ILE 82 HB ILE 82 10.073 6.002 -0.722 617 HG12 ILE 82 HG12 ILE 82 8.753 3.801 -0.952 618 HG13 ILE 82 HG11 ILE 82 10.288 2.974 -0.790 619 HG21 ILE 82 HG21 ILE 82 10.607 6.045 -3.062 620 HG22 ILE 82 HG22 ILE 82 9.115 5.145 -2.798 621 HG23 ILE 82 HG23 ILE 82 10.614 4.281 -3.124 622 HD11 ILE 82 HD11 ILE 82 10.545 3.931 1.453 623 HD12 ILE 82 HD12 ILE 82 9.062 2.987 1.299 624 HD13 ILE 82 HD13 ILE 82 8.990 4.748 1.273 625 H ALA 83 HN ALA 83 13.136 3.619 0.783 626 HA ALA 83 HA ALA 83 12.620 5.244 3.102 627 HB1 ALA 83 HB1 ALA 83 12.609 2.798 3.261 628 HB2 ALA 83 HB2 ALA 83 13.827 3.506 4.329 629 HB3 ALA 83 HB3 ALA 83 14.310 2.774 2.801 630 H GLY 84 HN GLY 84 14.918 5.235 0.663 631 HA2 GLY 84 HA2 GLY 84 16.916 6.278 0.368 632 HA3 GLY 84 HA1 GLY 84 16.527 7.231 1.800 633 H LEU 85 HN LEU 85 17.312 3.881 1.091 634 HA LEU 85 HA LEU 85 19.331 4.043 3.211 635 HB2 LEU 85 HB2 LEU 85 17.089 3.065 3.992 636 HB3 LEU 85 HB1 LEU 85 17.423 1.709 2.948 637 HG LEU 85 HG LEU 85 17.880 1.202 5.302 638 HD11 LEU 85 HD11 LEU 85 20.395 1.261 3.662 639 HD12 LEU 85 HD12 LEU 85 19.190 -0.027 3.697 640 HD13 LEU 85 HD13 LEU 85 20.154 0.327 5.135 641 HD21 LEU 85 HD21 LEU 85 19.956 3.375 5.143 642 HD22 LEU 85 HD22 LEU 85 19.724 2.268 6.496 643 HD23 LEU 85 HD23 LEU 85 18.461 3.422 6.075 644 H GLU 86 HN GLU 86 17.990 1.541 1.041 645 HA GLU 86 HA GLU 86 20.693 0.662 0.495 646 HB2 GLU 86 HB2 GLU 86 18.805 -0.851 1.213 647 HB3 GLU 86 HB1 GLU 86 18.049 -0.541 -0.332 648 HG2 GLU 86 HG2 GLU 86 19.818 -1.635 -1.504 649 HG3 GLU 86 HG1 GLU 86 20.785 -1.757 -0.035 650 H HIS 87 HN HIS 87 18.826 2.929 -0.659 651 HA HIS 87 HA HIS 87 20.300 3.351 -3.014 652 HB2 HIS 87 HB2 HIS 87 18.564 1.743 -3.912 653 HB3 HIS 87 HB1 HIS 87 17.314 2.819 -3.338 654 HD1 HIS 87 HD1 HIS 87 16.801 4.945 -4.784 655 HD2 HIS 87 HD2 HIS 87 19.926 2.604 -6.213 656 HE1 HIS 87 HE1 HIS 87 17.289 5.776 -7.091 657 H HIS 88 HN HIS 88 20.406 5.516 -3.180 658 HA HIS 88 HA HIS 88 18.424 7.096 -1.722 659 HB2 HIS 88 HB2 HIS 88 21.367 7.638 -2.187 660 HB3 HIS 88 HB1 HIS 88 20.244 8.881 -1.657 661 HD1 HIS 88 HD1 HIS 88 19.534 8.841 0.826 662 HD2 HIS 88 HD2 HIS 88 22.015 5.700 -0.260 663 HE1 HIS 88 HE1 HIS 88 20.283 7.781 2.969 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 0.716 6.498 14.295 2 H2 MET 1 HT2 MET 1 -0.407 7.001 13.162 3 H3 MET 1 HT3 MET 1 -0.424 7.699 14.690 4 HA MET 1 HA MET 1 0.559 9.156 13.033 5 HB2 MET 1 HB2 MET 1 2.768 7.934 14.729 6 HB3 MET 1 HB1 MET 1 2.745 9.547 14.058 7 HG2 MET 1 HG2 MET 1 0.958 8.486 16.230 8 HG3 MET 1 HG1 MET 1 2.283 9.631 16.414 9 HE1 MET 1 HE1 MET 1 -0.644 10.077 17.560 10 HE2 MET 1 HE2 MET 1 -0.918 11.771 17.154 11 HE3 MET 1 HE3 MET 1 0.656 11.252 17.756 12 H VAL 2 HN VAL 2 2.790 9.343 11.765 13 HA VAL 2 HA VAL 2 2.691 7.154 9.926 14 HB VAL 2 HB VAL 2 4.585 9.531 9.896 15 HG11 VAL 2 HG11 VAL 2 4.881 9.017 7.513 16 HG12 VAL 2 HG12 VAL 2 3.864 7.588 7.698 17 HG13 VAL 2 HG13 VAL 2 5.413 7.680 8.535 18 HG21 VAL 2 HG21 VAL 2 2.252 10.247 9.784 19 HG22 VAL 2 HG22 VAL 2 1.963 9.135 8.448 20 HG23 VAL 2 HG23 VAL 2 3.059 10.501 8.237 21 H THR 3 HN THR 3 3.294 5.479 11.214 22 HA THR 3 HA THR 3 6.141 5.274 11.873 23 HB THR 3 HB THR 3 4.616 4.892 13.773 24 HG1 THR 3 HG1 THR 3 6.049 2.676 12.775 25 HG21 THR 3 HG21 THR 3 3.075 2.966 13.805 26 HG22 THR 3 HG22 THR 3 3.483 2.621 12.124 27 HG23 THR 3 HG23 THR 3 2.644 4.116 12.539 28 H ALA 4 HN ALA 4 4.301 4.769 9.348 29 HA ALA 4 HA ALA 4 5.650 2.323 8.580 30 HB1 ALA 4 HB1 ALA 4 3.362 1.700 9.162 31 HB2 ALA 4 HB2 ALA 4 3.620 1.596 7.416 32 HB3 ALA 4 HB3 ALA 4 2.741 2.964 8.097 33 H ALA 5 HN ALA 5 6.317 2.358 6.503 34 HA ALA 5 HA ALA 5 6.449 4.963 5.273 35 HB1 ALA 5 HB1 ALA 5 7.668 2.330 4.510 36 HB2 ALA 5 HB2 ALA 5 8.438 3.587 5.482 37 HB3 ALA 5 HB3 ALA 5 8.049 3.890 3.783 38 H LEU 6 HN LEU 6 4.470 2.270 5.023 39 HA LEU 6 HA LEU 6 3.430 3.270 2.512 40 HB2 LEU 6 HB2 LEU 6 2.740 0.915 1.924 41 HB3 LEU 6 HB1 LEU 6 4.404 1.315 1.652 42 HG LEU 6 HG LEU 6 3.509 -0.178 4.105 43 HD11 LEU 6 HD11 LEU 6 4.064 -2.235 2.848 44 HD12 LEU 6 HD12 LEU 6 4.320 -1.270 1.398 45 HD13 LEU 6 HD13 LEU 6 2.712 -1.386 2.107 46 HD21 LEU 6 HD21 LEU 6 5.812 -1.001 4.043 47 HD22 LEU 6 HD22 LEU 6 5.774 0.765 4.101 48 HD23 LEU 6 HD23 LEU 6 6.102 -0.061 2.579 49 H THR 7 HN THR 7 1.485 3.785 2.559 50 HA THR 7 HA THR 7 -0.226 2.901 4.752 51 HB THR 7 HB THR 7 -0.682 5.150 2.776 52 HG1 THR 7 HG1 THR 7 1.171 4.901 4.757 53 HG21 THR 7 HG21 THR 7 -1.608 4.684 5.615 54 HG22 THR 7 HG22 THR 7 -2.588 4.455 4.165 55 HG23 THR 7 HG23 THR 7 -2.029 6.067 4.606 56 H ILE 8 HN ILE 8 -1.585 1.265 4.157 57 HA ILE 8 HA ILE 8 -2.204 0.912 1.307 58 HB ILE 8 HB ILE 8 -2.358 -1.133 3.556 59 HG12 ILE 8 HG12 ILE 8 -0.425 -0.899 1.241 60 HG13 ILE 8 HG11 ILE 8 -0.046 -0.644 2.941 61 HG21 ILE 8 HG21 ILE 8 -2.846 -2.786 1.830 62 HG22 ILE 8 HG22 ILE 8 -2.833 -1.533 0.591 63 HG23 ILE 8 HG23 ILE 8 -4.067 -1.513 1.860 64 HD11 ILE 8 HD11 ILE 8 0.731 -2.818 2.186 65 HD12 ILE 8 HD12 ILE 8 -0.905 -3.247 1.687 66 HD13 ILE 8 HD13 ILE 8 -0.540 -3.010 3.391 67 H TYR 9 HN TYR 9 -4.232 0.954 0.672 68 HA TYR 9 HA TYR 9 -6.251 1.680 2.618 69 HB2 TYR 9 HB2 TYR 9 -6.256 1.596 -0.405 70 HB3 TYR 9 HB1 TYR 9 -7.593 2.197 0.563 71 HD1 TYR 9 HD2 TYR 9 -7.165 4.231 2.060 72 HD2 TYR 9 HD1 TYR 9 -4.439 3.012 -0.967 73 HE1 TYR 9 HE2 TYR 9 -6.110 6.450 2.114 74 HE2 TYR 9 HE1 TYR 9 -3.376 5.221 -0.908 75 HH TYR 9 HH TYR 9 -3.962 7.512 -0.264 76 H THR 10 HN THR 10 -7.497 0.079 3.525 77 HA THR 10 HA THR 10 -7.964 -2.336 1.939 78 HB THR 10 HB THR 10 -7.932 -3.553 4.154 79 HG1 THR 10 HG1 THR 10 -6.980 -2.546 5.889 80 HG21 THR 10 HG21 THR 10 -5.494 -3.778 4.214 81 HG22 THR 10 HG22 THR 10 -5.328 -2.282 3.299 82 HG23 THR 10 HG23 THR 10 -6.059 -3.699 2.542 83 H THR 11 HN THR 11 -9.648 -3.696 3.519 84 HA THR 11 HA THR 11 -11.727 -2.121 4.650 85 HB THR 11 HB THR 11 -12.306 -3.868 2.142 86 HG1 THR 11 HG1 THR 11 -11.482 -1.350 2.408 87 HG21 THR 11 HG21 THR 11 -14.096 -1.947 3.645 88 HG22 THR 11 HG22 THR 11 -14.081 -3.684 3.889 89 HG23 THR 11 HG23 THR 11 -14.542 -3.021 2.310 90 H SER 12 HN SER 12 -12.869 -3.559 6.155 91 HA SER 12 HA SER 12 -11.603 -5.891 7.015 92 HB2 SER 12 HB2 SER 12 -14.572 -5.285 7.316 93 HB3 SER 12 HB1 SER 12 -13.614 -6.356 8.325 94 HG SER 12 HG SER 12 -13.247 -3.542 8.059 95 H TRP 13 HN TRP 13 -14.523 -5.588 5.007 96 HA TRP 13 HA TRP 13 -14.265 -8.226 3.851 97 HB2 TRP 13 HB2 TRP 13 -16.359 -7.551 3.211 98 HB3 TRP 13 HB1 TRP 13 -16.053 -5.862 3.532 99 HD1 TRP 13 HD1 TRP 13 -14.728 -8.313 0.886 100 HE1 TRP 13 HE1 TRP 13 -14.812 -7.255 -1.304 101 HE3 TRP 13 HE3 TRP 13 -17.017 -3.996 2.284 102 HZ2 TRP 13 HZ2 TRP 13 -15.890 -4.828 -2.491 103 HZ3 TRP 13 HZ3 TRP 13 -17.586 -2.361 0.547 104 HH2 TRP 13 HH2 TRP 13 -17.038 -2.768 -1.795 105 H CYS 14 HN CYS 14 -12.670 -8.942 2.953 106 HA CYS 14 HA CYS 14 -11.201 -7.336 1.076 107 HB2 CYS 14 HB2 CYS 14 -10.094 -6.701 3.109 108 HB3 CYS 14 HB1 CYS 14 -9.958 -8.387 3.642 109 H GLY 15 HN GLY 15 -10.902 -8.625 -0.588 110 HA2 GLY 15 HA2 GLY 15 -10.630 -11.501 -0.066 111 HA3 GLY 15 HA1 GLY 15 -11.356 -10.828 -1.527 112 H TYR 16 HN TYR 16 -9.881 -9.310 -2.721 113 HA TYR 16 HA TYR 16 -7.595 -10.823 -3.489 114 HB2 TYR 16 HB2 TYR 16 -9.022 -9.708 -5.128 115 HB3 TYR 16 HB1 TYR 16 -8.647 -8.148 -4.418 116 HD1 TYR 16 HD1 TYR 16 -7.251 -10.972 -6.313 117 HD2 TYR 16 HD2 TYR 16 -6.695 -6.976 -5.021 118 HE1 TYR 16 HE1 TYR 16 -5.363 -10.740 -7.859 119 HE2 TYR 16 HE2 TYR 16 -4.804 -6.732 -6.558 120 HH TYR 16 HH TYR 16 -3.197 -8.123 -7.751 121 H CYS 17 HN CYS 17 -8.153 -7.964 -1.588 122 HA CYS 17 HA CYS 17 -5.564 -6.901 -1.622 123 HB2 CYS 17 HB2 CYS 17 -6.468 -6.052 0.774 124 HB3 CYS 17 HB1 CYS 17 -7.049 -5.352 -0.755 125 H LEU 18 HN LEU 18 -6.910 -9.564 0.150 126 HA LEU 18 HA LEU 18 -5.158 -9.726 2.346 127 HB2 LEU 18 HB2 LEU 18 -7.401 -10.895 1.967 128 HB3 LEU 18 HB1 LEU 18 -6.548 -12.024 0.951 129 HG LEU 18 HG LEU 18 -7.091 -12.923 3.183 130 HD11 LEU 18 HD11 LEU 18 -5.221 -13.909 2.042 131 HD12 LEU 18 HD12 LEU 18 -4.927 -13.859 3.779 132 HD13 LEU 18 HD13 LEU 18 -4.136 -12.692 2.716 133 HD21 LEU 18 HD21 LEU 18 -5.907 -12.133 5.164 134 HD22 LEU 18 HD22 LEU 18 -6.948 -10.885 4.482 135 HD23 LEU 18 HD23 LEU 18 -5.204 -10.820 4.223 136 H ARG 19 HN ARG 19 -4.987 -10.876 -0.926 137 HA ARG 19 HA ARG 19 -2.956 -12.748 -0.984 138 HB2 ARG 19 HB2 ARG 19 -4.349 -12.147 -2.886 139 HB3 ARG 19 HB1 ARG 19 -3.600 -10.566 -2.962 140 HG2 ARG 19 HG2 ARG 19 -1.455 -11.638 -3.518 141 HG3 ARG 19 HG1 ARG 19 -2.266 -13.205 -3.530 142 HD2 ARG 19 HD2 ARG 19 -3.793 -12.345 -5.282 143 HD3 ARG 19 HD1 ARG 19 -2.875 -10.843 -5.302 144 HE ARG 19 HE ARG 19 -1.325 -13.223 -5.719 145 HH11 ARG 19 HH11 ARG 19 -3.100 -10.576 -7.340 146 HH12 ARG 19 HH12 ARG 19 -2.418 -10.888 -8.843 147 HH21 ARG 19 HH21 ARG 19 -0.412 -13.608 -7.811 148 HH22 ARG 19 HH22 ARG 19 -0.880 -12.637 -9.134 149 H LEU 20 HN LEU 20 -2.724 -9.261 -1.145 150 HA LEU 20 HA LEU 20 0.140 -9.284 -1.379 151 HB2 LEU 20 HB2 LEU 20 -1.168 -7.636 -2.579 152 HB3 LEU 20 HB1 LEU 20 -1.886 -7.079 -1.089 153 HG LEU 20 HG LEU 20 0.571 -6.472 -0.467 154 HD11 LEU 20 HD11 LEU 20 0.765 -6.616 -3.466 155 HD12 LEU 20 HD12 LEU 20 1.878 -7.332 -2.275 156 HD13 LEU 20 HD13 LEU 20 1.777 -5.606 -2.474 157 HD21 LEU 20 HD21 LEU 20 -1.138 -4.854 -0.577 158 HD22 LEU 20 HD22 LEU 20 -1.233 -4.968 -2.315 159 HD23 LEU 20 HD23 LEU 20 0.198 -4.237 -1.558 160 H LYS 21 HN LYS 21 -2.330 -8.437 0.937 161 HA LYS 21 HA LYS 21 -0.933 -7.132 2.902 162 HB2 LYS 21 HB2 LYS 21 -3.335 -7.192 2.835 163 HB3 LYS 21 HB1 LYS 21 -3.337 -8.931 3.062 164 HG2 LYS 21 HG2 LYS 21 -2.464 -8.641 5.312 165 HG3 LYS 21 HG1 LYS 21 -2.422 -6.904 5.068 166 HD2 LYS 21 HD2 LYS 21 -4.788 -6.766 4.892 167 HD3 LYS 21 HD1 LYS 21 -4.945 -8.518 4.827 168 HE2 LYS 21 HE2 LYS 21 -5.538 -7.621 7.054 169 HE3 LYS 21 HE1 LYS 21 -4.171 -8.725 7.114 170 HZ1 LYS 21 HZ1 LYS 21 -3.731 -6.882 8.482 171 HZ2 LYS 21 HZ2 LYS 21 -4.103 -5.753 7.332 172 HZ3 LYS 21 HZ3 LYS 21 -2.701 -6.714 7.166 173 H THR 22 HN THR 22 -1.531 -10.653 2.694 174 HA THR 22 HA THR 22 -0.060 -11.073 5.078 175 HB THR 22 HB THR 22 -1.885 -12.625 4.465 176 HG1 THR 22 HG1 THR 22 -0.160 -13.276 5.779 177 HG21 THR 22 HG21 THR 22 -1.565 -12.707 2.036 178 HG22 THR 22 HG22 THR 22 -1.525 -14.338 2.712 179 HG23 THR 22 HG23 THR 22 -0.023 -13.533 2.258 180 H ALA 23 HN ALA 23 0.790 -10.937 1.740 181 HA ALA 23 HA ALA 23 3.271 -12.372 1.844 182 HB1 ALA 23 HB1 ALA 23 2.398 -10.183 -0.028 183 HB2 ALA 23 HB2 ALA 23 2.064 -11.902 -0.263 184 HB3 ALA 23 HB3 ALA 23 3.730 -11.307 -0.294 185 H LEU 24 HN LEU 24 2.390 -9.011 2.195 186 HA LEU 24 HA LEU 24 5.023 -8.034 2.425 187 HB2 LEU 24 HB2 LEU 24 2.478 -6.941 3.567 188 HB3 LEU 24 HB1 LEU 24 3.967 -6.029 3.402 189 HG LEU 24 HG LEU 24 2.135 -7.024 1.236 190 HD11 LEU 24 HD11 LEU 24 1.432 -5.019 2.346 191 HD12 LEU 24 HD12 LEU 24 1.960 -4.657 0.703 192 HD13 LEU 24 HD13 LEU 24 3.008 -4.282 2.071 193 HD21 LEU 24 HD21 LEU 24 4.418 -7.367 0.472 194 HD22 LEU 24 HD22 LEU 24 4.842 -5.720 0.935 195 HD23 LEU 24 HD23 LEU 24 3.692 -6.000 -0.373 196 H THR 25 HN THR 25 2.651 -9.042 4.794 197 HA THR 25 HA THR 25 4.051 -8.428 7.106 198 HB THR 25 HB THR 25 2.066 -10.672 6.655 199 HG1 THR 25 HG1 THR 25 0.936 -8.883 6.120 200 HG21 THR 25 HG21 THR 25 3.228 -10.846 8.813 201 HG22 THR 25 HG22 THR 25 1.550 -10.361 9.058 202 HG23 THR 25 HG23 THR 25 2.839 -9.165 9.171 203 H ALA 26 HN ALA 26 4.042 -11.414 5.148 204 HA ALA 26 HA ALA 26 5.797 -12.824 6.893 205 HB1 ALA 26 HB1 ALA 26 5.070 -13.412 4.026 206 HB2 ALA 26 HB2 ALA 26 4.200 -13.984 5.453 207 HB3 ALA 26 HB3 ALA 26 5.848 -14.527 5.150 208 H ASN 27 HN ASN 27 6.345 -10.371 4.729 209 HA ASN 27 HA ASN 27 9.114 -11.199 4.248 210 HB2 ASN 27 HB2 ASN 27 7.190 -9.613 2.645 211 HB3 ASN 27 HB1 ASN 27 8.910 -9.197 2.498 212 HD21 ASN 27 HD21 ASN 27 6.402 -11.453 1.821 213 HD22 ASN 27 HD22 ASN 27 7.337 -12.490 0.795 214 H ARG 28 HN ARG 28 7.728 -9.740 6.562 215 HA ARG 28 HA ARG 28 8.365 -8.307 8.192 216 HB2 ARG 28 HB2 ARG 28 10.918 -7.958 6.616 217 HB3 ARG 28 HB1 ARG 28 10.655 -7.401 8.259 218 HG2 ARG 28 HG2 ARG 28 10.321 -9.758 8.929 219 HG3 ARG 28 HG1 ARG 28 10.749 -10.241 7.288 220 HD2 ARG 28 HD2 ARG 28 12.493 -8.720 9.223 221 HD3 ARG 28 HD1 ARG 28 12.650 -10.414 8.780 222 HE ARG 28 HE ARG 28 12.801 -8.762 6.485 223 HH11 ARG 28 HH11 ARG 28 14.676 -9.769 9.315 224 HH12 ARG 28 HH12 ARG 28 16.190 -9.557 8.572 225 HH21 ARG 28 HH21 ARG 28 14.925 -8.475 5.442 226 HH22 ARG 28 HH22 ARG 28 16.329 -8.827 6.328 227 H ILE 29 HN ILE 29 7.158 -7.359 5.573 228 HA ILE 29 HA ILE 29 8.006 -4.586 5.621 229 HB ILE 29 HB ILE 29 5.952 -5.974 3.875 230 HG12 ILE 29 HG12 ILE 29 8.794 -5.100 3.200 231 HG13 ILE 29 HG11 ILE 29 8.271 -6.756 3.456 232 HG21 ILE 29 HG21 ILE 29 5.487 -3.603 4.176 233 HG22 ILE 29 HG22 ILE 29 6.024 -3.907 2.516 234 HG23 ILE 29 HG23 ILE 29 7.131 -3.199 3.700 235 HD11 ILE 29 HD11 ILE 29 7.326 -4.937 1.257 236 HD12 ILE 29 HD12 ILE 29 6.854 -6.623 1.490 237 HD13 ILE 29 HD13 ILE 29 8.527 -6.218 1.102 238 H ALA 30 HN ALA 30 7.052 -3.243 6.970 239 HA ALA 30 HA ALA 30 4.491 -3.977 8.139 240 HB1 ALA 30 HB1 ALA 30 4.979 -2.211 9.746 241 HB2 ALA 30 HB2 ALA 30 6.435 -1.804 8.830 242 HB3 ALA 30 HB3 ALA 30 6.311 -3.373 9.636 243 H TYR 31 HN TYR 31 2.711 -2.754 7.873 244 HA TYR 31 HA TYR 31 2.908 -0.397 6.176 245 HB2 TYR 31 HB2 TYR 31 0.921 -1.242 4.895 246 HB3 TYR 31 HB1 TYR 31 2.399 -2.153 4.617 247 HD1 TYR 31 HD2 TYR 31 -0.949 -2.233 6.136 248 HD2 TYR 31 HD1 TYR 31 2.607 -4.439 5.366 249 HE1 TYR 31 HE2 TYR 31 -2.097 -4.307 6.774 250 HE2 TYR 31 HE1 TYR 31 1.463 -6.512 6.003 251 HH TYR 31 HH TYR 31 -0.369 -7.175 7.335 252 H ASP 32 HN ASP 32 0.743 0.718 6.138 253 HA ASP 32 HA ASP 32 -0.731 0.200 8.615 254 HB2 ASP 32 HB2 ASP 32 0.706 2.236 8.837 255 HB3 ASP 32 HB1 ASP 32 -0.162 2.949 7.478 256 H GLU 33 HN GLU 33 -2.740 -0.315 8.171 257 HA GLU 33 HA GLU 33 -3.718 0.386 5.533 258 HB2 GLU 33 HB2 GLU 33 -5.407 -1.348 5.872 259 HB3 GLU 33 HB1 GLU 33 -3.775 -1.963 6.042 260 HG2 GLU 33 HG2 GLU 33 -4.032 -1.917 8.472 261 HG3 GLU 33 HG1 GLU 33 -5.687 -1.335 8.271 262 H VAL 34 HN VAL 34 -5.477 1.526 5.172 263 HA VAL 34 HA VAL 34 -6.100 3.415 7.266 264 HB VAL 34 HB VAL 34 -7.041 3.532 4.406 265 HG11 VAL 34 HG11 VAL 34 -8.248 4.998 5.884 266 HG12 VAL 34 HG12 VAL 34 -7.220 5.927 4.793 267 HG13 VAL 34 HG13 VAL 34 -6.739 5.695 6.480 268 HG21 VAL 34 HG21 VAL 34 -5.118 4.982 3.996 269 HG22 VAL 34 HG22 VAL 34 -4.628 3.351 4.461 270 HG23 VAL 34 HG23 VAL 34 -4.540 4.669 5.632 271 H ASP 35 HN ASP 35 -7.861 3.890 8.136 272 HA ASP 35 HA ASP 35 -9.980 2.216 8.715 273 HB2 ASP 35 HB2 ASP 35 -9.008 4.092 10.090 274 HB3 ASP 35 HB1 ASP 35 -9.922 5.211 9.094 275 H ILE 36 HN ILE 36 -9.763 3.491 5.759 276 HA ILE 36 HA ILE 36 -11.745 5.300 5.114 277 HB ILE 36 HB ILE 36 -11.820 4.448 2.822 278 HG12 ILE 36 HG12 ILE 36 -9.865 2.347 3.646 279 HG13 ILE 36 HG11 ILE 36 -11.597 2.012 3.624 280 HG21 ILE 36 HG21 ILE 36 -9.056 4.588 3.996 281 HG22 ILE 36 HG22 ILE 36 -10.046 5.952 3.465 282 HG23 ILE 36 HG23 ILE 36 -9.459 4.783 2.293 283 HD11 ILE 36 HD11 ILE 36 -10.437 1.290 1.561 284 HD12 ILE 36 HD12 ILE 36 -10.038 3.004 1.251 285 HD13 ILE 36 HD13 ILE 36 -11.704 2.473 1.277 286 H GLU 37 HN GLU 37 -12.504 1.982 5.865 287 HA GLU 37 HA GLU 37 -14.985 2.077 4.460 288 HB2 GLU 37 HB2 GLU 37 -15.521 -0.011 5.580 289 HB3 GLU 37 HB1 GLU 37 -13.878 -0.002 4.939 290 HG2 GLU 37 HG2 GLU 37 -12.971 0.320 7.122 291 HG3 GLU 37 HG1 GLU 37 -14.598 0.473 7.797 292 H HIS 38 HN HIS 38 -13.864 3.144 7.484 293 HA HIS 38 HA HIS 38 -16.574 3.898 8.340 294 HB2 HIS 38 HB2 HIS 38 -13.931 3.930 9.829 295 HB3 HIS 38 HB1 HIS 38 -15.437 4.527 10.491 296 HD1 HIS 38 HD1 HIS 38 -16.930 2.801 11.620 297 HD2 HIS 38 HD2 HIS 38 -13.749 1.119 9.550 298 HE1 HIS 38 HE1 HIS 38 -16.856 0.373 12.304 299 H ASN 39 HN ASN 39 -13.274 5.063 7.859 300 HA ASN 39 HA ASN 39 -13.936 7.843 8.212 301 HB2 ASN 39 HB2 ASN 39 -11.675 6.862 8.702 302 HB3 ASN 39 HB1 ASN 39 -11.435 6.694 6.969 303 HD21 ASN 39 HD21 ASN 39 -10.008 8.185 6.422 304 HD22 ASN 39 HD22 ASN 39 -9.939 9.813 6.945 305 H ARG 40 HN ARG 40 -15.338 8.555 6.703 306 HA ARG 40 HA ARG 40 -15.206 7.846 3.973 307 HB2 ARG 40 HB2 ARG 40 -16.809 9.708 3.569 308 HB3 ARG 40 HB1 ARG 40 -17.318 8.590 4.824 309 HG2 ARG 40 HG2 ARG 40 -16.749 10.149 6.536 310 HG3 ARG 40 HG1 ARG 40 -15.975 11.225 5.371 311 HD2 ARG 40 HD2 ARG 40 -18.897 10.496 5.346 312 HD3 ARG 40 HD1 ARG 40 -18.230 11.949 6.092 313 HE ARG 40 HE ARG 40 -17.321 11.914 3.466 314 HH11 ARG 40 HH11 ARG 40 -20.493 11.986 4.992 315 HH12 ARG 40 HH12 ARG 40 -21.173 13.064 3.866 316 HH21 ARG 40 HH21 ARG 40 -18.196 13.393 1.950 317 HH22 ARG 40 HH22 ARG 40 -19.830 13.888 2.066 318 H ALA 41 HN ALA 41 -13.696 10.360 5.812 319 HA ALA 41 HA ALA 41 -13.108 12.134 3.772 320 HB1 ALA 41 HB1 ALA 41 -11.447 11.676 6.242 321 HB2 ALA 41 HB2 ALA 41 -12.876 12.691 6.123 322 HB3 ALA 41 HB3 ALA 41 -11.428 13.105 5.209 323 H ALA 42 HN ALA 42 -11.181 9.396 4.804 324 HA ALA 42 HA ALA 42 -9.290 9.952 2.681 325 HB1 ALA 42 HB1 ALA 42 -8.443 9.068 4.798 326 HB2 ALA 42 HB2 ALA 42 -8.082 7.965 3.468 327 HB3 ALA 42 HB3 ALA 42 -9.402 7.608 4.581 328 H ALA 43 HN ALA 43 -12.121 8.069 3.165 329 HA ALA 43 HA ALA 43 -11.711 6.088 1.189 330 HB1 ALA 43 HB1 ALA 43 -14.100 5.705 1.328 331 HB2 ALA 43 HB2 ALA 43 -14.317 7.261 2.128 332 HB3 ALA 43 HB3 ALA 43 -13.444 5.969 2.951 333 H GLU 44 HN GLU 44 -13.155 9.274 1.152 334 HA GLU 44 HA GLU 44 -13.957 9.316 -1.539 335 HB2 GLU 44 HB2 GLU 44 -13.268 11.526 0.397 336 HB3 GLU 44 HB1 GLU 44 -13.950 11.809 -1.201 337 HG2 GLU 44 HG2 GLU 44 -15.954 10.656 -0.637 338 HG3 GLU 44 HG1 GLU 44 -15.271 10.104 0.889 339 H PHE 45 HN PHE 45 -10.875 9.722 -0.045 340 HA PHE 45 HA PHE 45 -9.589 10.974 -2.286 341 HB2 PHE 45 HB2 PHE 45 -8.656 11.185 0.004 342 HB3 PHE 45 HB1 PHE 45 -8.408 9.450 0.058 343 HD1 PHE 45 HD1 PHE 45 -7.384 12.511 -1.771 344 HD2 PHE 45 HD2 PHE 45 -6.382 8.520 -0.674 345 HE1 PHE 45 HE1 PHE 45 -5.117 12.831 -2.675 346 HE2 PHE 45 HE2 PHE 45 -4.105 8.849 -1.588 347 HZ PHE 45 HZ PHE 45 -3.486 10.998 -2.587 348 H VAL 46 HN VAL 46 -10.072 7.723 -1.094 349 HA VAL 46 HA VAL 46 -8.440 6.385 -2.973 350 HB VAL 46 HB VAL 46 -10.909 5.276 -1.608 351 HG11 VAL 46 HG11 VAL 46 -9.831 3.092 -1.919 352 HG12 VAL 46 HG12 VAL 46 -8.486 3.873 -2.748 353 HG13 VAL 46 HG13 VAL 46 -10.090 3.897 -3.471 354 HG21 VAL 46 HG21 VAL 46 -9.389 6.177 0.042 355 HG22 VAL 46 HG22 VAL 46 -8.042 5.311 -0.696 356 HG23 VAL 46 HG23 VAL 46 -9.344 4.416 0.084 357 H GLY 47 HN GLY 47 -11.864 7.251 -2.937 358 HA2 GLY 47 HA2 GLY 47 -12.519 6.059 -5.432 359 HA3 GLY 47 HA1 GLY 47 -13.444 7.308 -4.606 360 H SER 48 HN SER 48 -10.969 9.017 -4.590 361 HA SER 48 HA SER 48 -11.438 10.259 -7.128 362 HB2 SER 48 HB2 SER 48 -11.175 11.563 -5.006 363 HB3 SER 48 HB1 SER 48 -9.492 11.047 -4.939 364 HG SER 48 HG SER 48 -9.121 12.719 -6.107 365 H VAL 49 HN VAL 49 -8.741 8.567 -5.518 366 HA VAL 49 HA VAL 49 -7.042 8.946 -7.796 367 HB VAL 49 HB VAL 49 -6.055 8.766 -5.520 368 HG11 VAL 49 HG11 VAL 49 -5.804 6.616 -4.398 369 HG12 VAL 49 HG12 VAL 49 -6.854 5.876 -5.610 370 HG13 VAL 49 HG13 VAL 49 -7.488 7.128 -4.540 371 HG21 VAL 49 HG21 VAL 49 -4.612 8.325 -7.411 372 HG22 VAL 49 HG22 VAL 49 -5.096 6.629 -7.416 373 HG23 VAL 49 HG23 VAL 49 -4.175 7.280 -6.059 374 H ASN 50 HN ASN 50 -9.073 6.331 -6.613 375 HA ASN 50 HA ASN 50 -8.493 4.893 -9.075 376 HB2 ASN 50 HB2 ASN 50 -9.772 3.919 -6.498 377 HB3 ASN 50 HB1 ASN 50 -9.692 2.957 -7.969 378 HD21 ASN 50 HD21 ASN 50 -8.548 2.403 -5.337 379 HD22 ASN 50 HD22 ASN 50 -6.859 2.233 -5.582 380 H GLY 51 HN GLY 51 -9.699 5.940 -10.463 381 HA2 GLY 51 HA2 GLY 51 -12.378 6.813 -9.833 382 HA3 GLY 51 HA1 GLY 51 -11.540 7.030 -11.361 383 H GLY 52 HN GLY 52 -14.265 6.031 -10.600 384 HA2 GLY 52 HA2 GLY 52 -15.653 4.720 -11.933 385 HA3 GLY 52 HA1 GLY 52 -14.246 3.803 -12.466 386 H ASN 53 HN ASN 53 -13.115 2.729 -10.496 387 HA ASN 53 HA ASN 53 -15.189 1.450 -8.846 388 HB2 ASN 53 HB2 ASN 53 -14.159 -0.713 -9.128 389 HB3 ASN 53 HB1 ASN 53 -14.427 -0.055 -10.734 390 HD21 ASN 53 HD21 ASN 53 -12.642 0.626 -11.936 391 HD22 ASN 53 HD22 ASN 53 -11.031 0.148 -11.557 392 H ARG 54 HN ARG 54 -14.533 0.962 -6.754 393 HA ARG 54 HA ARG 54 -12.121 2.343 -5.974 394 HB2 ARG 54 HB2 ARG 54 -14.170 2.660 -4.591 395 HB3 ARG 54 HB1 ARG 54 -14.173 0.939 -4.230 396 HG2 ARG 54 HG2 ARG 54 -11.947 1.203 -3.175 397 HG3 ARG 54 HG1 ARG 54 -12.075 2.941 -3.440 398 HD2 ARG 54 HD2 ARG 54 -12.706 2.341 -1.157 399 HD3 ARG 54 HD1 ARG 54 -14.070 3.016 -2.042 400 HE ARG 54 HE ARG 54 -15.020 0.888 -2.206 401 HH11 ARG 54 HH11 ARG 54 -12.088 0.811 -0.179 402 HH12 ARG 54 HH12 ARG 54 -12.564 -0.600 0.664 403 HH21 ARG 54 HH21 ARG 54 -15.621 -1.027 -1.029 404 HH22 ARG 54 HH22 ARG 54 -14.591 -1.639 0.189 405 H THR 55 HN THR 55 -10.589 1.024 -6.877 406 HA THR 55 HA THR 55 -10.328 -1.739 -6.467 407 HB THR 55 HB THR 55 -7.978 0.140 -6.708 408 HG1 THR 55 HG1 THR 55 -10.126 -0.246 -8.537 409 HG21 THR 55 HG21 THR 55 -8.722 -2.472 -8.050 410 HG22 THR 55 HG22 THR 55 -7.625 -2.301 -6.682 411 HG23 THR 55 HG23 THR 55 -7.198 -1.611 -8.249 412 H VAL 56 HN VAL 56 -9.489 -2.836 -4.598 413 HA VAL 56 HA VAL 56 -9.259 -1.120 -2.339 414 HB VAL 56 HB VAL 56 -8.745 -4.084 -2.203 415 HG11 VAL 56 HG11 VAL 56 -9.001 -3.752 0.210 416 HG12 VAL 56 HG12 VAL 56 -9.395 -2.056 -0.078 417 HG13 VAL 56 HG13 VAL 56 -7.778 -2.607 -0.398 418 HG21 VAL 56 HG21 VAL 56 -11.077 -2.430 -1.527 419 HG22 VAL 56 HG22 VAL 56 -10.906 -4.191 -1.275 420 HG23 VAL 56 HG23 VAL 56 -10.997 -3.509 -2.940 421 HA PRO 57 HA PRO 57 -5.470 -2.688 -1.455 422 HB2 PRO 57 HB2 PRO 57 -3.575 -4.191 -2.772 423 HB3 PRO 57 HB1 PRO 57 -4.901 -4.827 -1.798 424 HG2 PRO 57 HG2 PRO 57 -4.756 -4.495 -4.760 425 HG3 PRO 57 HG1 PRO 57 -5.510 -5.786 -3.806 426 HD2 PRO 57 HD2 PRO 57 -6.862 -3.644 -4.946 427 HD3 PRO 57 HD1 PRO 57 -7.422 -4.697 -3.616 428 H THR 58 HN THR 58 -5.054 -0.516 -1.913 429 HA THR 58 HA THR 58 -3.306 0.348 -4.071 430 HB THR 58 HB THR 58 -5.462 1.768 -2.470 431 HG1 THR 58 HG1 THR 58 -6.425 0.326 -3.784 432 HG21 THR 58 HG21 THR 58 -5.282 3.516 -4.181 433 HG22 THR 58 HG22 THR 58 -4.019 2.606 -4.991 434 HG23 THR 58 HG23 THR 58 -3.709 3.309 -3.391 435 H VAL 59 HN VAL 59 -1.366 1.057 -3.308 436 HA VAL 59 HA VAL 59 -1.221 1.684 -0.458 437 HB VAL 59 HB VAL 59 -0.073 -0.435 -0.924 438 HG11 VAL 59 HG11 VAL 59 1.515 1.130 -2.881 439 HG12 VAL 59 HG12 VAL 59 0.414 -0.198 -3.226 440 HG13 VAL 59 HG13 VAL 59 1.919 -0.501 -2.337 441 HG21 VAL 59 HG21 VAL 59 2.137 0.086 -0.028 442 HG22 VAL 59 HG22 VAL 59 0.870 0.991 0.806 443 HG23 VAL 59 HG23 VAL 59 1.879 1.791 -0.398 444 H LYS 60 HN LYS 60 -0.279 3.473 0.150 445 HA LYS 60 HA LYS 60 0.882 5.249 -1.877 446 HB2 LYS 60 HB2 LYS 60 -1.139 6.179 -0.838 447 HB3 LYS 60 HB1 LYS 60 -0.484 5.855 0.761 448 HG2 LYS 60 HG2 LYS 60 1.230 7.537 0.377 449 HG3 LYS 60 HG1 LYS 60 0.598 7.813 -1.249 450 HD2 LYS 60 HD2 LYS 60 -1.553 8.482 -0.312 451 HD3 LYS 60 HD1 LYS 60 -0.948 8.195 1.316 452 HE2 LYS 60 HE2 LYS 60 0.163 10.159 -0.650 453 HE3 LYS 60 HE1 LYS 60 -0.943 10.570 0.661 454 HZ1 LYS 60 HZ1 LYS 60 1.360 11.055 1.294 455 HZ2 LYS 60 HZ2 LYS 60 1.833 9.489 0.984 456 HZ3 LYS 60 HZ3 LYS 60 0.789 9.800 2.256 457 H PHE 61 HN PHE 61 3.007 5.406 -1.720 458 HA PHE 61 HA PHE 61 4.322 4.651 0.787 459 HB2 PHE 61 HB2 PHE 61 5.451 5.121 -1.989 460 HB3 PHE 61 HB1 PHE 61 6.448 4.836 -0.576 461 HD1 PHE 61 HD1 PHE 61 4.054 3.342 -2.926 462 HD2 PHE 61 HD2 PHE 61 6.693 2.641 0.361 463 HE1 PHE 61 HE1 PHE 61 3.886 0.906 -3.298 464 HE2 PHE 61 HE2 PHE 61 6.498 0.237 -0.002 465 HZ PHE 61 HZ PHE 61 5.097 -0.633 -1.850 466 H ALA 62 HN ALA 62 6.209 5.988 1.417 467 HA ALA 62 HA ALA 62 5.534 8.671 1.880 468 HB1 ALA 62 HB1 ALA 62 7.054 7.380 3.319 469 HB2 ALA 62 HB2 ALA 62 7.782 8.902 2.805 470 HB3 ALA 62 HB3 ALA 62 8.265 7.390 2.040 471 H ASP 63 HN ASP 63 6.745 7.251 -0.874 472 HA ASP 63 HA ASP 63 8.279 9.412 -1.981 473 HB2 ASP 63 HB2 ASP 63 8.561 7.096 -2.754 474 HB3 ASP 63 HB1 ASP 63 6.899 7.063 -3.314 475 H GLY 64 HN GLY 64 4.947 8.762 -1.567 476 HA2 GLY 64 HA2 GLY 64 3.256 10.327 -1.829 477 HA3 GLY 64 HA1 GLY 64 4.226 11.204 -3.011 478 H SER 65 HN SER 65 4.689 8.360 -4.082 479 HA SER 65 HA SER 65 2.594 8.506 -6.026 480 HB2 SER 65 HB2 SER 65 4.823 6.497 -5.717 481 HB3 SER 65 HB1 SER 65 3.872 6.809 -7.171 482 HG SER 65 HG SER 65 6.047 8.075 -6.207 483 H THR 66 HN THR 66 1.143 6.800 -6.440 484 HA THR 66 HA THR 66 0.717 5.011 -4.189 485 HB THR 66 HB THR 66 -1.663 4.979 -5.326 486 HG1 THR 66 HG1 THR 66 -1.613 6.271 -6.988 487 HG21 THR 66 HG21 THR 66 -1.242 5.777 -3.049 488 HG22 THR 66 HG22 THR 66 -2.375 6.851 -3.871 489 HG23 THR 66 HG23 THR 66 -0.688 7.327 -3.677 490 H LEU 67 HN LEU 67 0.465 2.922 -4.634 491 HA LEU 67 HA LEU 67 0.882 2.108 -7.410 492 HB2 LEU 67 HB2 LEU 67 2.838 1.902 -5.745 493 HB3 LEU 67 HB1 LEU 67 1.896 0.653 -4.968 494 HG LEU 67 HG LEU 67 1.996 -0.676 -7.053 495 HD11 LEU 67 HD11 LEU 67 3.845 1.533 -7.953 496 HD12 LEU 67 HD12 LEU 67 2.334 1.043 -8.740 497 HD13 LEU 67 HD13 LEU 67 3.711 -0.038 -8.714 498 HD21 LEU 67 HD21 LEU 67 4.653 0.176 -5.909 499 HD22 LEU 67 HD22 LEU 67 4.356 -1.295 -6.829 500 HD23 LEU 67 HD23 LEU 67 3.590 -1.076 -5.257 501 H THR 68 HN THR 68 -0.803 0.882 -8.119 502 HA THR 68 HA THR 68 -2.684 -0.109 -6.092 503 HB THR 68 HB THR 68 -3.265 0.453 -9.002 504 HG1 THR 68 HG1 THR 68 -2.424 2.201 -7.511 505 HG21 THR 68 HG21 THR 68 -5.017 0.329 -6.533 506 HG22 THR 68 HG22 THR 68 -4.901 -0.932 -7.761 507 HG23 THR 68 HG23 THR 68 -5.574 0.643 -8.176 508 H ASN 69 HN ASN 69 -2.945 -2.245 -5.934 509 HA ASN 69 HA ASN 69 -2.680 -4.465 -6.224 510 HB2 ASN 69 HB2 ASN 69 -3.359 -3.721 -9.093 511 HB3 ASN 69 HB1 ASN 69 -3.244 -5.380 -8.529 512 HD21 ASN 69 HD21 ASN 69 -5.428 -5.708 -9.131 513 HD22 ASN 69 HD22 ASN 69 -6.717 -5.099 -8.157 514 HA PRO 70 HA PRO 70 1.599 -4.329 -8.051 515 HB2 PRO 70 HB2 PRO 70 3.131 -3.966 -5.942 516 HB3 PRO 70 HB1 PRO 70 2.284 -2.601 -6.680 517 HG2 PRO 70 HG2 PRO 70 1.599 -4.141 -4.209 518 HG3 PRO 70 HG1 PRO 70 1.519 -2.394 -4.490 519 HD2 PRO 70 HD2 PRO 70 -0.646 -4.129 -4.668 520 HD3 PRO 70 HD1 PRO 70 -0.535 -2.522 -5.416 521 H SER 71 HN SER 71 3.475 -5.691 -7.456 522 HA SER 71 HA SER 71 2.699 -8.291 -6.371 523 HB2 SER 71 HB2 SER 71 5.366 -7.537 -7.579 524 HB3 SER 71 HB1 SER 71 4.566 -9.108 -7.561 525 HG SER 71 HG SER 71 3.726 -6.813 -8.976 526 H ALA 72 HN ALA 72 4.425 -9.292 -4.850 527 HA ALA 72 HA ALA 72 4.819 -7.593 -2.632 528 HB1 ALA 72 HB1 ALA 72 5.999 -9.484 -1.630 529 HB2 ALA 72 HB2 ALA 72 6.091 -10.276 -3.201 530 HB3 ALA 72 HB3 ALA 72 4.524 -10.028 -2.429 531 H ASP 73 HN ASP 73 6.956 -8.726 -5.164 532 HA ASP 73 HA ASP 73 9.364 -7.715 -4.105 533 HB2 ASP 73 HB2 ASP 73 10.376 -8.074 -6.269 534 HB3 ASP 73 HB1 ASP 73 9.286 -9.404 -5.938 535 H GLU 74 HN GLU 74 6.869 -6.198 -6.007 536 HA GLU 74 HA GLU 74 8.366 -3.901 -6.744 537 HB2 GLU 74 HB2 GLU 74 5.374 -4.260 -6.513 538 HB3 GLU 74 HB1 GLU 74 6.169 -2.890 -7.272 539 HG2 GLU 74 HG2 GLU 74 7.144 -4.369 -8.944 540 HG3 GLU 74 HG1 GLU 74 6.364 -5.754 -8.184 541 H VAL 75 HN VAL 75 6.290 -4.692 -4.058 542 HA VAL 75 HA VAL 75 6.301 -2.126 -2.883 543 HB VAL 75 HB VAL 75 5.881 -4.840 -1.595 544 HG11 VAL 75 HG11 VAL 75 6.466 -3.151 0.084 545 HG12 VAL 75 HG12 VAL 75 4.774 -3.627 0.225 546 HG13 VAL 75 HG13 VAL 75 5.193 -2.093 -0.519 547 HG21 VAL 75 HG21 VAL 75 3.493 -4.283 -1.768 548 HG22 VAL 75 HG22 VAL 75 4.274 -4.372 -3.348 549 HG23 VAL 75 HG23 VAL 75 3.915 -2.802 -2.631 550 H LYS 76 HN LYS 76 8.276 -5.005 -2.394 551 HA LYS 76 HA LYS 76 9.916 -4.007 -0.368 552 HB2 LYS 76 HB2 LYS 76 9.850 -6.348 -0.828 553 HB3 LYS 76 HB1 LYS 76 10.438 -6.119 -2.473 554 HG2 LYS 76 HG2 LYS 76 12.591 -5.408 -1.591 555 HG3 LYS 76 HG1 LYS 76 11.999 -5.614 0.065 556 HD2 LYS 76 HD2 LYS 76 11.653 -8.006 -0.396 557 HD3 LYS 76 HD1 LYS 76 12.268 -7.771 -2.033 558 HE2 LYS 76 HE2 LYS 76 14.422 -7.051 -1.117 559 HE3 LYS 76 HE1 LYS 76 13.809 -7.280 0.519 560 HZ1 LYS 76 HZ1 LYS 76 14.142 -9.403 -1.529 561 HZ2 LYS 76 HZ2 LYS 76 13.557 -9.654 0.031 562 HZ3 LYS 76 HZ3 LYS 76 15.143 -9.149 -0.208 563 H ALA 77 HN ALA 77 10.328 -3.853 -3.892 564 HA ALA 77 HA ALA 77 12.848 -2.560 -3.837 565 HB1 ALA 77 HB1 ALA 77 11.966 -3.718 -5.828 566 HB2 ALA 77 HB2 ALA 77 12.445 -2.058 -6.189 567 HB3 ALA 77 HB3 ALA 77 10.739 -2.464 -5.994 568 H LYS 78 HN LYS 78 9.558 -1.275 -3.826 569 HA LYS 78 HA LYS 78 10.417 1.439 -3.970 570 HB2 LYS 78 HB2 LYS 78 7.827 0.101 -3.373 571 HB3 LYS 78 HB1 LYS 78 8.031 1.740 -2.798 572 HG2 LYS 78 HG2 LYS 78 6.894 1.751 -4.927 573 HG3 LYS 78 HG1 LYS 78 8.477 2.485 -5.088 574 HD2 LYS 78 HD2 LYS 78 9.339 0.420 -6.090 575 HD3 LYS 78 HD1 LYS 78 7.750 -0.331 -5.911 576 HE2 LYS 78 HE2 LYS 78 6.767 1.333 -7.381 577 HE3 LYS 78 HE1 LYS 78 8.313 2.165 -7.503 578 HZ1 LYS 78 HZ1 LYS 78 8.010 0.893 -9.432 579 HZ2 LYS 78 HZ2 LYS 78 7.592 -0.497 -8.606 580 HZ3 LYS 78 HZ3 LYS 78 9.193 0.079 -8.540 581 H LEU 79 HN LEU 79 9.805 -0.782 -1.354 582 HA LEU 79 HA LEU 79 9.832 1.033 0.736 583 HB2 LEU 79 HB2 LEU 79 9.191 -1.470 0.858 584 HB3 LEU 79 HB1 LEU 79 10.889 -1.777 0.838 585 HG LEU 79 HG LEU 79 11.162 -0.580 2.959 586 HD11 LEU 79 HD11 LEU 79 8.174 -0.313 2.847 587 HD12 LEU 79 HD12 LEU 79 9.382 0.960 3.151 588 HD13 LEU 79 HD13 LEU 79 9.087 -0.284 4.337 589 HD21 LEU 79 HD21 LEU 79 10.943 -2.991 2.952 590 HD22 LEU 79 HD22 LEU 79 9.184 -2.843 2.979 591 HD23 LEU 79 HD23 LEU 79 10.132 -2.308 4.365 592 H VAL 80 HN VAL 80 12.442 -0.832 -0.710 593 HA VAL 80 HA VAL 80 14.423 0.089 1.064 594 HB VAL 80 HB VAL 80 16.098 -0.863 -0.506 595 HG11 VAL 80 HG11 VAL 80 15.352 -3.177 -0.379 596 HG12 VAL 80 HG12 VAL 80 13.730 -2.607 0.048 597 HG13 VAL 80 HG13 VAL 80 15.089 -2.292 1.123 598 HG21 VAL 80 HG21 VAL 80 13.710 -1.350 -2.212 599 HG22 VAL 80 HG22 VAL 80 15.309 -2.072 -2.491 600 HG23 VAL 80 HG23 VAL 80 15.084 -0.323 -2.618 601 H LYS 81 HN LYS 81 13.240 1.446 -1.943 602 HA LYS 81 HA LYS 81 15.442 3.295 -2.094 603 HB2 LYS 81 HB2 LYS 81 14.229 4.443 -3.916 604 HB3 LYS 81 HB1 LYS 81 14.405 2.725 -4.216 605 HG2 LYS 81 HG2 LYS 81 12.165 2.300 -3.791 606 HG3 LYS 81 HG1 LYS 81 11.909 3.864 -3.027 607 HD2 LYS 81 HD2 LYS 81 12.600 3.510 -5.945 608 HD3 LYS 81 HD1 LYS 81 10.947 3.636 -5.347 609 HE2 LYS 81 HE2 LYS 81 11.516 5.852 -4.382 610 HE3 LYS 81 HE1 LYS 81 13.125 5.718 -5.085 611 HZ1 LYS 81 HZ1 LYS 81 11.642 7.039 -6.440 612 HZ2 LYS 81 HZ2 LYS 81 10.586 5.752 -6.636 613 HZ3 LYS 81 HZ3 LYS 81 12.152 5.683 -7.269 614 H ILE 82 HN ILE 82 12.123 3.478 -0.901 615 HA ILE 82 HA ILE 82 12.433 6.267 -0.462 616 HB ILE 82 HB ILE 82 10.234 6.234 0.697 617 HG12 ILE 82 HG12 ILE 82 8.826 4.111 0.432 618 HG13 ILE 82 HG11 ILE 82 10.329 3.252 0.155 619 HG21 ILE 82 HG21 ILE 82 8.899 5.674 -1.262 620 HG22 ILE 82 HG22 ILE 82 10.295 4.860 -1.967 621 HG23 ILE 82 HG23 ILE 82 10.346 6.602 -1.665 622 HD11 ILE 82 HD11 ILE 82 11.073 3.833 2.390 623 HD12 ILE 82 HD12 ILE 82 9.518 2.993 2.426 624 HD13 ILE 82 HD13 ILE 82 9.586 4.744 2.647 625 H ALA 83 HN ALA 83 13.427 3.604 1.231 626 HA ALA 83 HA ALA 83 13.486 4.779 3.825 627 HB1 ALA 83 HB1 ALA 83 15.009 2.937 4.388 628 HB2 ALA 83 HB2 ALA 83 15.140 2.523 2.679 629 HB3 ALA 83 HB3 ALA 83 13.595 2.349 3.513 630 H GLY 84 HN GLY 84 15.418 4.985 0.957 631 HA2 GLY 84 HA2 GLY 84 17.346 6.097 0.419 632 HA3 GLY 84 HA1 GLY 84 16.961 7.160 1.771 633 H LEU 85 HN LEU 85 17.849 3.804 1.509 634 HA LEU 85 HA LEU 85 20.266 4.186 3.083 635 HB2 LEU 85 HB2 LEU 85 18.545 4.117 4.803 636 HB3 LEU 85 HB1 LEU 85 17.903 2.635 4.137 637 HG LEU 85 HG LEU 85 20.046 1.506 4.744 638 HD11 LEU 85 HD11 LEU 85 20.612 4.085 6.187 639 HD12 LEU 85 HD12 LEU 85 21.502 3.436 4.811 640 HD13 LEU 85 HD13 LEU 85 21.526 2.585 6.356 641 HD21 LEU 85 HD21 LEU 85 18.521 2.802 7.000 642 HD22 LEU 85 HD22 LEU 85 19.535 1.363 7.129 643 HD23 LEU 85 HD23 LEU 85 18.071 1.324 6.148 644 H GLU 86 HN GLU 86 17.901 1.807 1.951 645 HA GLU 86 HA GLU 86 20.014 -0.116 1.436 646 HB2 GLU 86 HB2 GLU 86 17.009 -0.302 1.289 647 HB3 GLU 86 HB1 GLU 86 18.125 -1.664 1.130 648 HG2 GLU 86 HG2 GLU 86 18.887 -1.375 3.377 649 HG3 GLU 86 HG1 GLU 86 17.973 0.117 3.540 650 H HIS 87 HN HIS 87 18.444 2.308 -0.104 651 HA HIS 87 HA HIS 87 19.641 1.846 -2.596 652 HB2 HIS 87 HB2 HIS 87 17.593 0.413 -2.839 653 HB3 HIS 87 HB1 HIS 87 16.585 1.798 -2.455 654 HD1 HIS 87 HD1 HIS 87 16.926 3.886 -4.442 655 HD2 HIS 87 HD2 HIS 87 17.976 -0.033 -5.390 656 HE1 HIS 87 HE1 HIS 87 16.899 3.741 -6.917 657 H HIS 88 HN HIS 88 19.754 3.853 -3.576 658 HA HIS 88 HA HIS 88 18.371 6.046 -2.227 659 HB2 HIS 88 HB2 HIS 88 21.191 6.029 -3.380 660 HB3 HIS 88 HB1 HIS 88 20.355 7.469 -2.823 661 HD1 HIS 88 HD1 HIS 88 20.397 7.933 -0.293 662 HD2 HIS 88 HD2 HIS 88 22.049 4.263 -1.334 663 HE1 HIS 88 HE1 HIS 88 21.543 7.084 1.766 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 1.966 6.803 6.861 2 H2 MET 1 HT2 MET 1 2.929 5.473 6.475 3 H3 MET 1 HT3 MET 1 1.896 6.142 5.325 4 HA MET 1 HA MET 1 4.222 6.766 4.982 5 HB2 MET 1 HB2 MET 1 2.250 8.968 5.610 6 HB3 MET 1 HB1 MET 1 3.812 9.260 4.867 7 HG2 MET 1 HG2 MET 1 3.203 7.884 2.967 8 HG3 MET 1 HG1 MET 1 1.664 7.490 3.718 9 HE1 MET 1 HE1 MET 1 2.745 11.784 2.354 10 HE2 MET 1 HE2 MET 1 3.877 10.439 2.246 11 HE3 MET 1 HE3 MET 1 3.388 11.061 3.823 12 H VAL 2 HN VAL 2 3.943 6.193 8.043 13 HA VAL 2 HA VAL 2 5.933 8.191 8.721 14 HB VAL 2 HB VAL 2 5.401 7.661 11.224 15 HG11 VAL 2 HG11 VAL 2 4.896 9.786 10.135 16 HG12 VAL 2 HG12 VAL 2 3.598 9.323 11.234 17 HG13 VAL 2 HG13 VAL 2 3.402 9.110 9.493 18 HG21 VAL 2 HG21 VAL 2 3.114 6.954 11.684 19 HG22 VAL 2 HG22 VAL 2 3.927 5.692 10.749 20 HG23 VAL 2 HG23 VAL 2 2.801 6.796 9.961 21 H THR 3 HN THR 3 5.637 5.435 10.879 22 HA THR 3 HA THR 3 8.279 4.647 10.156 23 HB THR 3 HB THR 3 7.725 2.796 11.851 24 HG1 THR 3 HG1 THR 3 5.784 2.708 12.545 25 HG21 THR 3 HG21 THR 3 7.904 4.346 13.751 26 HG22 THR 3 HG22 THR 3 7.453 5.686 12.697 27 HG23 THR 3 HG23 THR 3 8.972 4.829 12.434 28 H ALA 4 HN ALA 4 5.017 3.583 9.753 29 HA ALA 4 HA ALA 4 5.790 1.532 7.865 30 HB1 ALA 4 HB1 ALA 4 3.102 2.503 8.860 31 HB2 ALA 4 HB2 ALA 4 3.932 1.030 9.369 32 HB3 ALA 4 HB3 ALA 4 3.323 1.177 7.720 33 H ALA 5 HN ALA 5 6.497 2.474 6.104 34 HA ALA 5 HA ALA 5 5.765 5.071 5.263 35 HB1 ALA 5 HB1 ALA 5 7.199 4.659 3.345 36 HB2 ALA 5 HB2 ALA 5 7.230 2.939 3.730 37 HB3 ALA 5 HB3 ALA 5 7.972 4.102 4.830 38 H LEU 6 HN LEU 6 5.229 1.934 3.727 39 HA LEU 6 HA LEU 6 3.446 3.024 1.828 40 HB2 LEU 6 HB2 LEU 6 2.828 0.651 1.301 41 HB3 LEU 6 HB1 LEU 6 4.504 1.026 1.064 42 HG LEU 6 HG LEU 6 3.611 -0.252 3.578 43 HD11 LEU 6 HD11 LEU 6 4.227 -1.572 0.917 44 HD12 LEU 6 HD12 LEU 6 2.653 -1.578 1.716 45 HD13 LEU 6 HD13 LEU 6 4.018 -2.439 2.433 46 HD21 LEU 6 HD21 LEU 6 5.947 0.512 3.413 47 HD22 LEU 6 HD22 LEU 6 6.115 -0.415 1.927 48 HD23 LEU 6 HD23 LEU 6 5.855 -1.246 3.449 49 H THR 7 HN THR 7 1.514 3.542 2.000 50 HA THR 7 HA THR 7 -0.023 2.710 4.325 51 HB THR 7 HB THR 7 -0.364 5.015 2.396 52 HG1 THR 7 HG1 THR 7 1.543 4.706 3.848 53 HG21 THR 7 HG21 THR 7 -2.412 4.414 3.592 54 HG22 THR 7 HG22 THR 7 -1.795 5.954 4.189 55 HG23 THR 7 HG23 THR 7 -1.560 4.478 5.137 56 H ILE 8 HN ILE 8 -1.391 1.100 3.857 57 HA ILE 8 HA ILE 8 -2.195 0.650 1.069 58 HB ILE 8 HB ILE 8 -2.133 -1.270 3.409 59 HG12 ILE 8 HG12 ILE 8 -0.403 -1.110 0.935 60 HG13 ILE 8 HG11 ILE 8 0.094 -0.702 2.577 61 HG21 ILE 8 HG21 ILE 8 -2.830 -1.821 0.518 62 HG22 ILE 8 HG22 ILE 8 -3.948 -1.789 1.880 63 HG23 ILE 8 HG23 ILE 8 -2.694 -3.030 1.807 64 HD11 ILE 8 HD11 ILE 8 -0.737 -3.423 1.599 65 HD12 ILE 8 HD12 ILE 8 -0.249 -3.027 3.243 66 HD13 ILE 8 HD13 ILE 8 0.907 -2.880 1.919 67 H TYR 9 HN TYR 9 -4.252 0.533 0.538 68 HA TYR 9 HA TYR 9 -6.209 1.341 2.513 69 HB2 TYR 9 HB2 TYR 9 -6.303 1.097 -0.493 70 HB3 TYR 9 HB1 TYR 9 -7.652 1.677 0.464 71 HD1 TYR 9 HD2 TYR 9 -4.264 2.448 -0.745 72 HD2 TYR 9 HD1 TYR 9 -7.597 3.930 1.432 73 HE1 TYR 9 HE2 TYR 9 -3.325 4.694 -0.863 74 HE2 TYR 9 HE1 TYR 9 -6.652 6.202 1.321 75 HH TYR 9 HH TYR 9 -4.469 7.282 0.999 76 H THR 10 HN THR 10 -7.530 -0.143 3.503 77 HA THR 10 HA THR 10 -8.045 -2.693 2.158 78 HB THR 10 HB THR 10 -7.792 -3.761 4.430 79 HG1 THR 10 HG1 THR 10 -6.800 -2.609 6.044 80 HG21 THR 10 HG21 THR 10 -5.349 -3.996 4.268 81 HG22 THR 10 HG22 THR 10 -5.279 -2.564 3.242 82 HG23 THR 10 HG23 THR 10 -6.078 -4.023 2.657 83 H THR 11 HN THR 11 -9.681 -3.966 3.593 84 HA THR 11 HA THR 11 -11.487 -2.392 5.183 85 HB THR 11 HB THR 11 -12.574 -4.175 2.951 86 HG1 THR 11 HG1 THR 11 -11.515 -1.634 2.797 87 HG21 THR 11 HG21 THR 11 -13.756 -1.902 4.552 88 HG22 THR 11 HG22 THR 11 -14.078 -3.620 4.797 89 HG23 THR 11 HG23 THR 11 -14.593 -2.821 3.306 90 H SER 12 HN SER 12 -12.728 -4.003 6.559 91 HA SER 12 HA SER 12 -11.150 -6.264 7.185 92 HB2 SER 12 HB2 SER 12 -13.999 -5.640 7.996 93 HB3 SER 12 HB1 SER 12 -12.871 -6.714 8.829 94 HG SER 12 HG SER 12 -13.004 -3.955 8.717 95 H TRP 13 HN TRP 13 -14.280 -5.800 5.562 96 HA TRP 13 HA TRP 13 -14.208 -8.557 4.768 97 HB2 TRP 13 HB2 TRP 13 -16.412 -8.151 3.705 98 HB3 TRP 13 HB1 TRP 13 -16.406 -7.818 5.432 99 HD1 TRP 13 HD1 TRP 13 -16.897 -6.255 2.051 100 HE1 TRP 13 HE1 TRP 13 -17.844 -3.941 2.293 101 HE3 TRP 13 HE3 TRP 13 -16.438 -5.781 7.111 102 HZ2 TRP 13 HZ2 TRP 13 -18.377 -2.073 4.399 103 HZ3 TRP 13 HZ3 TRP 13 -17.204 -3.690 8.165 104 HH2 TRP 13 HH2 TRP 13 -18.152 -1.883 6.838 105 H CYS 14 HN CYS 14 -12.700 -8.931 3.425 106 HA CYS 14 HA CYS 14 -12.903 -7.975 0.767 107 HB2 CYS 14 HB2 CYS 14 -11.754 -6.045 1.689 108 HB3 CYS 14 HB1 CYS 14 -10.628 -7.073 2.553 109 H GLY 15 HN GLY 15 -11.590 -9.278 -0.597 110 HA2 GLY 15 HA2 GLY 15 -10.322 -11.528 0.812 111 HA3 GLY 15 HA1 GLY 15 -11.189 -11.700 -0.707 112 H TYR 16 HN TYR 16 -10.270 -9.838 -2.307 113 HA TYR 16 HA TYR 16 -7.782 -10.950 -2.984 114 HB2 TYR 16 HB2 TYR 16 -7.828 -9.696 -5.020 115 HB3 TYR 16 HB1 TYR 16 -9.440 -10.286 -4.688 116 HD1 TYR 16 HD2 TYR 16 -10.886 -8.393 -3.246 117 HD2 TYR 16 HD1 TYR 16 -7.684 -7.649 -5.940 118 HE1 TYR 16 HE2 TYR 16 -11.747 -6.121 -3.640 119 HE2 TYR 16 HE1 TYR 16 -8.532 -5.393 -6.330 120 HH TYR 16 HH TYR 16 -10.653 -4.257 -6.215 121 H CYS 17 HN CYS 17 -8.389 -8.260 -1.015 122 HA CYS 17 HA CYS 17 -5.900 -6.970 -1.579 123 HB2 CYS 17 HB2 CYS 17 -6.373 -5.737 0.576 124 HB3 CYS 17 HB1 CYS 17 -7.667 -5.603 -0.629 125 H LEU 18 HN LEU 18 -7.010 -9.602 0.355 126 HA LEU 18 HA LEU 18 -5.100 -9.540 2.430 127 HB2 LEU 18 HB2 LEU 18 -7.306 -10.648 2.498 128 HB3 LEU 18 HB1 LEU 18 -6.685 -11.866 1.409 129 HG LEU 18 HG LEU 18 -5.066 -12.588 3.101 130 HD11 LEU 18 HD11 LEU 18 -5.200 -11.680 5.385 131 HD12 LEU 18 HD12 LEU 18 -6.360 -10.471 4.835 132 HD13 LEU 18 HD13 LEU 18 -4.700 -10.441 4.237 133 HD21 LEU 18 HD21 LEU 18 -7.842 -12.298 4.128 134 HD22 LEU 18 HD22 LEU 18 -6.655 -13.506 4.670 135 HD23 LEU 18 HD23 LEU 18 -7.290 -13.546 3.011 136 H ARG 19 HN ARG 19 -5.066 -10.621 -0.796 137 HA ARG 19 HA ARG 19 -3.088 -12.610 -0.786 138 HB2 ARG 19 HB2 ARG 19 -4.642 -12.005 -2.674 139 HB3 ARG 19 HB1 ARG 19 -3.705 -10.559 -2.934 140 HG2 ARG 19 HG2 ARG 19 -2.556 -13.333 -3.202 141 HG3 ARG 19 HG1 ARG 19 -3.312 -12.476 -4.537 142 HD2 ARG 19 HD2 ARG 19 -0.878 -11.588 -2.987 143 HD3 ARG 19 HD1 ARG 19 -0.873 -12.294 -4.602 144 HE ARG 19 HE ARG 19 -2.523 -10.063 -4.677 145 HH11 ARG 19 HH11 ARG 19 0.894 -10.764 -4.133 146 HH12 ARG 19 HH12 ARG 19 1.455 -9.282 -4.734 147 HH21 ARG 19 HH21 ARG 19 -1.762 -7.993 -5.519 148 HH22 ARG 19 HH22 ARG 19 -0.097 -7.657 -5.528 149 H LEU 20 HN LEU 20 -2.750 -9.165 -1.644 150 HA LEU 20 HA LEU 20 0.030 -9.167 -1.613 151 HB2 LEU 20 HB2 LEU 20 -1.206 -7.509 -2.809 152 HB3 LEU 20 HB1 LEU 20 -2.007 -6.974 -1.352 153 HG LEU 20 HG LEU 20 0.389 -6.306 -0.613 154 HD11 LEU 20 HD11 LEU 20 1.798 -7.181 -2.322 155 HD12 LEU 20 HD12 LEU 20 1.725 -5.447 -2.553 156 HD13 LEU 20 HD13 LEU 20 0.771 -6.495 -3.578 157 HD21 LEU 20 HD21 LEU 20 -1.357 -4.725 -0.857 158 HD22 LEU 20 HD22 LEU 20 -1.311 -4.839 -2.598 159 HD23 LEU 20 HD23 LEU 20 0.031 -4.069 -1.736 160 H LYS 21 HN LYS 21 -2.384 -8.275 0.741 161 HA LYS 21 HA LYS 21 -0.856 -7.071 2.699 162 HB2 LYS 21 HB2 LYS 21 -3.249 -6.948 2.704 163 HB3 LYS 21 HB1 LYS 21 -3.376 -8.688 2.869 164 HG2 LYS 21 HG2 LYS 21 -2.541 -8.578 5.112 165 HG3 LYS 21 HG1 LYS 21 -2.252 -6.846 4.951 166 HD2 LYS 21 HD2 LYS 21 -4.585 -6.387 4.780 167 HD3 LYS 21 HD1 LYS 21 -4.972 -8.092 4.616 168 HE2 LYS 21 HE2 LYS 21 -5.474 -7.276 6.873 169 HE3 LYS 21 HE1 LYS 21 -4.235 -8.523 6.893 170 HZ1 LYS 21 HZ1 LYS 21 -3.610 -6.843 8.360 171 HZ2 LYS 21 HZ2 LYS 21 -3.889 -5.597 7.307 172 HZ3 LYS 21 HZ3 LYS 21 -2.562 -6.659 7.054 173 H THR 22 HN THR 22 -1.616 -10.560 2.409 174 HA THR 22 HA THR 22 -0.161 -11.181 4.763 175 HB THR 22 HB THR 22 -0.321 -13.576 3.893 176 HG1 THR 22 HG1 THR 22 -2.141 -12.435 2.035 177 HG21 THR 22 HG21 THR 22 -2.732 -13.714 4.380 178 HG22 THR 22 HG22 THR 22 -2.859 -11.964 4.207 179 HG23 THR 22 HG23 THR 22 -1.898 -12.655 5.517 180 H ALA 23 HN ALA 23 0.640 -11.081 1.374 181 HA ALA 23 HA ALA 23 3.212 -12.302 1.425 182 HB1 ALA 23 HB1 ALA 23 3.566 -11.164 -0.692 183 HB2 ALA 23 HB2 ALA 23 2.204 -10.091 -0.367 184 HB3 ALA 23 HB3 ALA 23 1.921 -11.807 -0.645 185 H LEU 24 HN LEU 24 2.254 -8.936 1.783 186 HA LEU 24 HA LEU 24 4.902 -8.011 2.116 187 HB2 LEU 24 HB2 LEU 24 2.339 -6.788 3.092 188 HB3 LEU 24 HB1 LEU 24 3.885 -5.972 3.020 189 HG LEU 24 HG LEU 24 2.273 -6.958 0.676 190 HD11 LEU 24 HD11 LEU 24 1.383 -4.988 1.712 191 HD12 LEU 24 HD12 LEU 24 2.112 -4.584 0.153 192 HD13 LEU 24 HD13 LEU 24 2.962 -4.212 1.648 193 HD21 LEU 24 HD21 LEU 24 4.646 -7.207 0.207 194 HD22 LEU 24 HD22 LEU 24 4.931 -5.549 0.739 195 HD23 LEU 24 HD23 LEU 24 3.972 -5.858 -0.711 196 H THR 25 HN THR 25 2.473 -9.096 4.399 197 HA THR 25 HA THR 25 3.929 -8.474 6.712 198 HB THR 25 HB THR 25 1.933 -10.742 6.348 199 HG1 THR 25 HG1 THR 25 0.818 -8.903 5.755 200 HG21 THR 25 HG21 THR 25 1.500 -10.400 8.731 201 HG22 THR 25 HG22 THR 25 2.703 -9.111 8.772 202 HG23 THR 25 HG23 THR 25 3.204 -10.774 8.465 203 H ALA 26 HN ALA 26 3.899 -11.320 4.588 204 HA ALA 26 HA ALA 26 5.670 -12.893 6.173 205 HB1 ALA 26 HB1 ALA 26 5.835 -14.338 4.218 206 HB2 ALA 26 HB2 ALA 26 5.051 -13.106 3.231 207 HB3 ALA 26 HB3 ALA 26 4.156 -13.898 4.527 208 H ASN 27 HN ASN 27 6.074 -10.462 3.799 209 HA ASN 27 HA ASN 27 8.903 -10.970 3.464 210 HB2 ASN 27 HB2 ASN 27 6.895 -9.205 2.250 211 HB3 ASN 27 HB1 ASN 27 8.571 -8.605 2.189 212 HD21 ASN 27 HD21 ASN 27 7.285 -11.908 1.905 213 HD22 ASN 27 HD22 ASN 27 7.787 -12.137 0.270 214 H ARG 28 HN ARG 28 7.193 -9.734 5.890 215 HA ARG 28 HA ARG 28 7.588 -8.470 7.714 216 HB2 ARG 28 HB2 ARG 28 9.787 -9.757 7.575 217 HB3 ARG 28 HB1 ARG 28 10.468 -8.339 6.801 218 HG2 ARG 28 HG2 ARG 28 9.929 -7.010 8.810 219 HG3 ARG 28 HG1 ARG 28 9.349 -8.483 9.593 220 HD2 ARG 28 HD2 ARG 28 12.138 -7.961 8.589 221 HD3 ARG 28 HD1 ARG 28 11.618 -7.985 10.273 222 HE ARG 28 HE ARG 28 10.985 -10.398 8.957 223 HH11 ARG 28 HH11 ARG 28 13.672 -8.656 10.473 224 HH12 ARG 28 HH12 ARG 28 14.581 -10.051 10.815 225 HH21 ARG 28 HH21 ARG 28 12.228 -12.306 9.373 226 HH22 ARG 28 HH22 ARG 28 13.737 -12.206 10.145 227 H ILE 29 HN ILE 29 6.851 -7.210 5.252 228 HA ILE 29 HA ILE 29 8.251 -4.694 5.257 229 HB ILE 29 HB ILE 29 5.989 -5.747 3.534 230 HG12 ILE 29 HG12 ILE 29 8.888 -5.138 2.922 231 HG13 ILE 29 HG11 ILE 29 8.212 -6.743 3.163 232 HG21 ILE 29 HG21 ILE 29 6.302 -3.722 2.159 233 HG22 ILE 29 HG22 ILE 29 7.415 -3.096 3.384 234 HG23 ILE 29 HG23 ILE 29 5.718 -3.359 3.784 235 HD11 ILE 29 HD11 ILE 29 6.845 -6.454 1.161 236 HD12 ILE 29 HD12 ILE 29 8.560 -6.256 0.808 237 HD13 ILE 29 HD13 ILE 29 7.514 -4.839 0.926 238 H ALA 30 HN ALA 30 7.730 -3.176 6.596 239 HA ALA 30 HA ALA 30 5.409 -3.325 8.238 240 HB1 ALA 30 HB1 ALA 30 7.448 -1.118 8.009 241 HB2 ALA 30 HB2 ALA 30 7.556 -2.505 9.094 242 HB3 ALA 30 HB3 ALA 30 6.273 -1.309 9.309 243 H TYR 31 HN TYR 31 3.553 -3.005 7.199 244 HA TYR 31 HA TYR 31 3.216 -0.467 5.757 245 HB2 TYR 31 HB2 TYR 31 1.365 -1.494 4.555 246 HB3 TYR 31 HB1 TYR 31 2.814 -2.465 4.355 247 HD1 TYR 31 HD1 TYR 31 -0.532 -2.319 5.878 248 HD2 TYR 31 HD2 TYR 31 2.928 -4.715 5.263 249 HE1 TYR 31 HE1 TYR 31 -1.783 -4.299 6.612 250 HE2 TYR 31 HE2 TYR 31 1.691 -6.698 6.001 251 HH TYR 31 HH TYR 31 -0.201 -7.306 7.238 252 H ASP 32 HN ASP 32 1.106 0.494 5.922 253 HA ASP 32 HA ASP 32 -0.302 -0.077 8.427 254 HB2 ASP 32 HB2 ASP 32 1.028 1.921 8.822 255 HB3 ASP 32 HB1 ASP 32 0.467 2.634 7.313 256 H GLU 33 HN GLU 33 -2.441 -0.260 8.115 257 HA GLU 33 HA GLU 33 -3.367 0.297 5.419 258 HB2 GLU 33 HB2 GLU 33 -5.225 -1.249 5.938 259 HB3 GLU 33 HB1 GLU 33 -3.641 -1.989 6.003 260 HG2 GLU 33 HG2 GLU 33 -3.697 -1.882 8.439 261 HG3 GLU 33 HG1 GLU 33 -5.295 -1.136 8.362 262 H VAL 34 HN VAL 34 -5.167 1.432 5.013 263 HA VAL 34 HA VAL 34 -5.543 3.610 6.834 264 HB VAL 34 HB VAL 34 -6.967 3.263 4.190 265 HG11 VAL 34 HG11 VAL 34 -7.832 5.022 5.583 266 HG12 VAL 34 HG12 VAL 34 -7.041 5.659 4.144 267 HG13 VAL 34 HG13 VAL 34 -6.222 5.740 5.706 268 HG21 VAL 34 HG21 VAL 34 -5.130 4.509 3.175 269 HG22 VAL 34 HG22 VAL 34 -4.576 2.969 3.840 270 HG23 VAL 34 HG23 VAL 34 -4.264 4.471 4.710 271 H ASP 35 HN ASP 35 -7.343 4.377 7.697 272 HA ASP 35 HA ASP 35 -9.202 2.653 8.913 273 HB2 ASP 35 HB2 ASP 35 -9.105 5.664 8.849 274 HB3 ASP 35 HB1 ASP 35 -10.226 4.734 9.826 275 H ILE 36 HN ILE 36 -9.403 3.548 5.821 276 HA ILE 36 HA ILE 36 -11.618 5.071 5.251 277 HB ILE 36 HB ILE 36 -11.837 3.979 3.083 278 HG12 ILE 36 HG12 ILE 36 -9.705 2.067 3.965 279 HG13 ILE 36 HG11 ILE 36 -11.420 1.647 4.031 280 HG21 ILE 36 HG21 ILE 36 -8.971 4.323 3.936 281 HG22 ILE 36 HG22 ILE 36 -10.068 5.619 3.468 282 HG23 ILE 36 HG23 ILE 36 -9.587 4.403 2.283 283 HD11 ILE 36 HD11 ILE 36 -10.294 0.805 2.012 284 HD12 ILE 36 HD12 ILE 36 -9.951 2.497 1.555 285 HD13 ILE 36 HD13 ILE 36 -11.607 1.927 1.655 286 H GLU 37 HN GLU 37 -11.873 1.798 6.420 287 HA GLU 37 HA GLU 37 -14.496 1.246 5.499 288 HB2 GLU 37 HB2 GLU 37 -12.890 -0.424 6.304 289 HB3 GLU 37 HB1 GLU 37 -12.986 0.274 7.911 290 HG2 GLU 37 HG2 GLU 37 -15.350 -0.369 7.999 291 HG3 GLU 37 HG1 GLU 37 -15.167 -1.135 6.419 292 H HIS 38 HN HIS 38 -13.139 2.960 8.179 293 HA HIS 38 HA HIS 38 -15.767 3.523 9.383 294 HB2 HIS 38 HB2 HIS 38 -12.967 4.048 10.436 295 HB3 HIS 38 HB1 HIS 38 -14.449 4.448 11.280 296 HD1 HIS 38 HD1 HIS 38 -15.229 2.697 12.935 297 HD2 HIS 38 HD2 HIS 38 -12.611 1.159 10.092 298 HE1 HIS 38 HE1 HIS 38 -14.658 0.368 13.692 299 H ASN 39 HN ASN 39 -12.809 4.998 8.195 300 HA ASN 39 HA ASN 39 -13.783 7.723 8.524 301 HB2 ASN 39 HB2 ASN 39 -11.460 7.230 9.027 302 HB3 ASN 39 HB1 ASN 39 -11.206 6.645 7.388 303 HD21 ASN 39 HD21 ASN 39 -9.800 8.065 6.650 304 HD22 ASN 39 HD22 ASN 39 -9.916 9.758 6.634 305 H ARG 40 HN ARG 40 -15.089 8.554 7.009 306 HA ARG 40 HA ARG 40 -15.128 7.552 4.345 307 HB2 ARG 40 HB2 ARG 40 -16.742 9.281 3.802 308 HB3 ARG 40 HB1 ARG 40 -17.157 8.556 5.344 309 HG2 ARG 40 HG2 ARG 40 -16.369 10.473 6.536 310 HG3 ARG 40 HG1 ARG 40 -15.671 11.165 5.072 311 HD2 ARG 40 HD2 ARG 40 -18.611 10.678 5.563 312 HD3 ARG 40 HD1 ARG 40 -17.796 12.232 5.714 313 HE ARG 40 HE ARG 40 -17.232 11.400 3.159 314 HH11 ARG 40 HH11 ARG 40 -20.223 12.062 4.949 315 HH12 ARG 40 HH12 ARG 40 -21.105 12.477 3.542 316 HH21 ARG 40 HH21 ARG 40 -18.468 11.951 1.264 317 HH22 ARG 40 HH22 ARG 40 -20.110 12.428 1.447 318 H ALA 41 HN ALA 41 -13.384 10.127 5.924 319 HA ALA 41 HA ALA 41 -12.983 11.681 3.651 320 HB1 ALA 41 HB1 ALA 41 -11.200 12.858 4.902 321 HB2 ALA 41 HB2 ALA 41 -11.392 11.693 6.232 322 HB3 ALA 41 HB3 ALA 41 -12.715 12.717 5.752 323 H ALA 42 HN ALA 42 -11.013 9.088 4.834 324 HA ALA 42 HA ALA 42 -9.225 9.503 2.584 325 HB1 ALA 42 HB1 ALA 42 -8.273 8.779 4.720 326 HB2 ALA 42 HB2 ALA 42 -7.959 7.604 3.439 327 HB3 ALA 42 HB3 ALA 42 -9.217 7.293 4.635 328 H ALA 43 HN ALA 43 -12.054 7.723 3.316 329 HA ALA 43 HA ALA 43 -11.708 5.544 1.534 330 HB1 ALA 43 HB1 ALA 43 -13.306 5.580 3.407 331 HB2 ALA 43 HB2 ALA 43 -14.069 5.134 1.875 332 HB3 ALA 43 HB3 ALA 43 -14.274 6.764 2.533 333 H GLU 44 HN GLU 44 -13.151 8.698 1.272 334 HA GLU 44 HA GLU 44 -14.034 8.322 -1.397 335 HB2 GLU 44 HB2 GLU 44 -13.664 10.835 0.235 336 HB3 GLU 44 HB1 GLU 44 -14.515 10.734 -1.307 337 HG2 GLU 44 HG2 GLU 44 -16.143 9.221 -0.347 338 HG3 GLU 44 HG1 GLU 44 -15.275 9.218 1.180 339 H PHE 45 HN PHE 45 -11.064 9.187 0.067 340 HA PHE 45 HA PHE 45 -9.909 10.470 -2.186 341 HB2 PHE 45 HB2 PHE 45 -8.899 10.773 0.032 342 HB3 PHE 45 HB1 PHE 45 -8.548 9.047 0.125 343 HD1 PHE 45 HD1 PHE 45 -7.817 12.085 -1.856 344 HD2 PHE 45 HD2 PHE 45 -6.515 8.214 -0.681 345 HE1 PHE 45 HE1 PHE 45 -5.666 12.480 -2.968 346 HE2 PHE 45 HE2 PHE 45 -4.352 8.602 -1.791 347 HZ PHE 45 HZ PHE 45 -3.928 10.733 -2.939 348 H VAL 46 HN VAL 46 -10.287 7.156 -1.167 349 HA VAL 46 HA VAL 46 -8.552 5.877 -2.966 350 HB VAL 46 HB VAL 46 -11.271 4.848 -2.081 351 HG11 VAL 46 HG11 VAL 46 -8.825 3.346 -3.015 352 HG12 VAL 46 HG12 VAL 46 -10.320 3.564 -3.921 353 HG13 VAL 46 HG13 VAL 46 -10.321 2.612 -2.433 354 HG21 VAL 46 HG21 VAL 46 -10.091 3.720 -0.258 355 HG22 VAL 46 HG22 VAL 46 -9.930 5.474 -0.144 356 HG23 VAL 46 HG23 VAL 46 -8.589 4.502 -0.751 357 H GLY 47 HN GLY 47 -11.894 6.964 -3.296 358 HA2 GLY 47 HA2 GLY 47 -12.290 6.048 -5.947 359 HA3 GLY 47 HA1 GLY 47 -13.231 7.290 -5.123 360 H SER 48 HN SER 48 -11.046 8.998 -4.574 361 HA SER 48 HA SER 48 -10.980 10.501 -6.944 362 HB2 SER 48 HB2 SER 48 -10.864 11.475 -4.658 363 HB3 SER 48 HB1 SER 48 -9.269 10.769 -4.445 364 HG SER 48 HG SER 48 -9.630 13.092 -5.199 365 H VAL 49 HN VAL 49 -8.457 8.561 -5.307 366 HA VAL 49 HA VAL 49 -6.533 9.180 -7.329 367 HB VAL 49 HB VAL 49 -5.933 8.849 -4.934 368 HG11 VAL 49 HG11 VAL 49 -6.342 5.921 -5.449 369 HG12 VAL 49 HG12 VAL 49 -7.259 6.953 -4.354 370 HG13 VAL 49 HG13 VAL 49 -5.555 6.622 -4.035 371 HG21 VAL 49 HG21 VAL 49 -4.423 7.128 -6.895 372 HG22 VAL 49 HG22 VAL 49 -3.808 7.664 -5.335 373 HG23 VAL 49 HG23 VAL 49 -4.176 8.846 -6.586 374 H ASN 50 HN ASN 50 -8.731 6.482 -6.860 375 HA ASN 50 HA ASN 50 -7.399 5.100 -9.080 376 HB2 ASN 50 HB2 ASN 50 -9.430 4.140 -7.079 377 HB3 ASN 50 HB1 ASN 50 -9.130 3.252 -8.564 378 HD21 ASN 50 HD21 ASN 50 -8.716 2.480 -5.801 379 HD22 ASN 50 HD22 ASN 50 -7.062 2.030 -5.652 380 H GLY 51 HN GLY 51 -9.629 7.387 -8.838 381 HA2 GLY 51 HA2 GLY 51 -10.879 8.352 -10.509 382 HA3 GLY 51 HA1 GLY 51 -10.299 7.101 -11.592 383 H GLY 52 HN GLY 52 -12.426 7.268 -8.758 384 HA2 GLY 52 HA2 GLY 52 -14.741 6.946 -8.726 385 HA3 GLY 52 HA1 GLY 52 -14.666 6.379 -10.389 386 H ASN 53 HN ASN 53 -12.824 4.406 -10.174 387 HA ASN 53 HA ASN 53 -14.433 2.294 -9.050 388 HB2 ASN 53 HB2 ASN 53 -11.673 2.116 -10.303 389 HB3 ASN 53 HB1 ASN 53 -12.761 0.771 -9.997 390 HD21 ASN 53 HD21 ASN 53 -11.946 3.374 -12.117 391 HD22 ASN 53 HD22 ASN 53 -13.094 3.019 -13.339 392 H ARG 54 HN ARG 54 -14.244 1.577 -6.979 393 HA ARG 54 HA ARG 54 -11.826 2.365 -5.609 394 HB2 ARG 54 HB2 ARG 54 -14.451 1.422 -4.482 395 HB3 ARG 54 HB1 ARG 54 -13.006 1.597 -3.501 396 HG2 ARG 54 HG2 ARG 54 -12.909 3.988 -4.171 397 HG3 ARG 54 HG1 ARG 54 -14.456 3.768 -4.995 398 HD2 ARG 54 HD2 ARG 54 -13.958 3.260 -2.064 399 HD3 ARG 54 HD1 ARG 54 -14.686 4.721 -2.713 400 HE ARG 54 HE ARG 54 -16.332 2.917 -3.706 401 HH11 ARG 54 HH11 ARG 54 -15.023 3.079 -0.412 402 HH12 ARG 54 HH12 ARG 54 -16.402 2.384 0.310 403 HH21 ARG 54 HH21 ARG 54 -18.168 1.979 -2.735 404 HH22 ARG 54 HH22 ARG 54 -18.239 1.721 -1.049 405 H THR 55 HN THR 55 -10.556 0.906 -6.726 406 HA THR 55 HA THR 55 -10.637 -1.862 -6.233 407 HB THR 55 HB THR 55 -8.142 -0.238 -6.691 408 HG1 THR 55 HG1 THR 55 -9.025 -0.371 -9.039 409 HG21 THR 55 HG21 THR 55 -9.273 -2.755 -7.947 410 HG22 THR 55 HG22 THR 55 -8.099 -2.726 -6.633 411 HG23 THR 55 HG23 THR 55 -7.663 -2.090 -8.228 412 H VAL 56 HN VAL 56 -9.962 -2.879 -4.294 413 HA VAL 56 HA VAL 56 -9.512 -1.127 -2.117 414 HB VAL 56 HB VAL 56 -9.126 -4.110 -1.915 415 HG11 VAL 56 HG11 VAL 56 -9.347 -3.719 0.484 416 HG12 VAL 56 HG12 VAL 56 -9.655 -2.010 0.168 417 HG13 VAL 56 HG13 VAL 56 -8.073 -2.654 -0.158 418 HG21 VAL 56 HG21 VAL 56 -11.370 -2.334 -1.266 419 HG22 VAL 56 HG22 VAL 56 -11.267 -4.090 -0.953 420 HG23 VAL 56 HG23 VAL 56 -11.356 -3.466 -2.641 421 HA PRO 57 HA PRO 57 -5.772 -2.842 -1.257 422 HB2 PRO 57 HB2 PRO 57 -4.013 -4.541 -2.532 423 HB3 PRO 57 HB1 PRO 57 -5.398 -5.019 -1.554 424 HG2 PRO 57 HG2 PRO 57 -5.201 -4.793 -4.518 425 HG3 PRO 57 HG1 PRO 57 -6.078 -5.985 -3.544 426 HD2 PRO 57 HD2 PRO 57 -7.181 -3.724 -4.741 427 HD3 PRO 57 HD1 PRO 57 -7.896 -4.731 -3.450 428 H THR 58 HN THR 58 -5.369 -0.681 -1.956 429 HA THR 58 HA THR 58 -3.605 -0.059 -4.167 430 HB THR 58 HB THR 58 -5.664 1.504 -2.589 431 HG1 THR 58 HG1 THR 58 -6.877 0.380 -3.915 432 HG21 THR 58 HG21 THR 58 -4.119 2.286 -5.072 433 HG22 THR 58 HG22 THR 58 -3.897 3.022 -3.472 434 HG23 THR 58 HG23 THR 58 -5.423 3.217 -4.357 435 H VAL 59 HN VAL 59 -1.729 1.106 -3.673 436 HA VAL 59 HA VAL 59 -1.208 1.490 -0.828 437 HB VAL 59 HB VAL 59 0.010 -0.515 -1.604 438 HG11 VAL 59 HG11 VAL 59 1.306 1.290 -3.584 439 HG12 VAL 59 HG12 VAL 59 0.206 -0.042 -3.931 440 HG13 VAL 59 HG13 VAL 59 1.801 -0.368 -3.238 441 HG21 VAL 59 HG21 VAL 59 1.032 0.846 0.131 442 HG22 VAL 59 HG22 VAL 59 1.839 1.821 -1.096 443 HG23 VAL 59 HG23 VAL 59 2.266 0.122 -0.904 444 H LYS 60 HN LYS 60 -0.454 3.325 -0.247 445 HA LYS 60 HA LYS 60 0.365 5.318 -2.233 446 HB2 LYS 60 HB2 LYS 60 -1.635 5.993 -0.951 447 HB3 LYS 60 HB1 LYS 60 -0.825 5.553 0.540 448 HG2 LYS 60 HG2 LYS 60 0.622 7.443 0.260 449 HG3 LYS 60 HG1 LYS 60 -0.124 7.800 -1.307 450 HD2 LYS 60 HD2 LYS 60 -2.294 8.026 -0.243 451 HD3 LYS 60 HD1 LYS 60 -1.576 7.646 1.318 452 HE2 LYS 60 HE2 LYS 60 -1.963 9.974 1.048 453 HE3 LYS 60 HE1 LYS 60 -0.228 9.623 1.191 454 HZ1 LYS 60 HZ1 LYS 60 -0.708 11.277 -0.524 455 HZ2 LYS 60 HZ2 LYS 60 -1.663 10.199 -1.371 456 HZ3 LYS 60 HZ3 LYS 60 -0.012 9.915 -1.186 457 H PHE 61 HN PHE 61 2.495 5.680 -2.257 458 HA PHE 61 HA PHE 61 4.064 4.934 0.058 459 HB2 PHE 61 HB2 PHE 61 4.842 5.560 -2.791 460 HB3 PHE 61 HB1 PHE 61 6.018 5.299 -1.506 461 HD1 PHE 61 HD1 PHE 61 6.060 3.087 -0.330 462 HD2 PHE 61 HD2 PHE 61 3.819 3.713 -3.899 463 HE1 PHE 61 HE1 PHE 61 5.978 0.684 -0.681 464 HE2 PHE 61 HE2 PHE 61 3.721 1.249 -4.256 465 HZ PHE 61 HZ PHE 61 4.805 -0.248 -2.657 466 H ALA 62 HN ALA 62 6.078 6.459 0.315 467 HA ALA 62 HA ALA 62 4.939 8.807 1.442 468 HB1 ALA 62 HB1 ALA 62 6.694 7.526 2.537 469 HB2 ALA 62 HB2 ALA 62 7.137 9.225 2.338 470 HB3 ALA 62 HB3 ALA 62 7.827 8.001 1.272 471 H ASP 63 HN ASP 63 6.520 8.222 -1.578 472 HA ASP 63 HA ASP 63 7.467 10.962 -1.837 473 HB2 ASP 63 HB2 ASP 63 8.585 10.223 -3.810 474 HB3 ASP 63 HB1 ASP 63 8.816 8.973 -2.590 475 H GLY 64 HN GLY 64 4.640 9.300 -2.401 476 HA2 GLY 64 HA2 GLY 64 2.750 10.595 -3.216 477 HA3 GLY 64 HA1 GLY 64 3.838 11.300 -4.401 478 H SER 65 HN SER 65 4.824 8.213 -4.421 479 HA SER 65 HA SER 65 3.347 7.643 -6.788 480 HB2 SER 65 HB2 SER 65 5.267 5.912 -5.214 481 HB3 SER 65 HB1 SER 65 4.680 5.570 -6.837 482 HG SER 65 HG SER 65 6.432 7.595 -5.950 483 H THR 66 HN THR 66 1.472 6.601 -6.930 484 HA THR 66 HA THR 66 0.669 4.925 -4.685 485 HB THR 66 HB THR 66 -1.701 5.392 -5.560 486 HG1 THR 66 HG1 THR 66 -2.000 7.042 -6.934 487 HG21 THR 66 HG21 THR 66 -0.892 6.398 -3.483 488 HG22 THR 66 HG22 THR 66 -1.882 7.552 -4.374 489 HG23 THR 66 HG23 THR 66 -0.126 7.698 -4.394 490 H LEU 67 HN LEU 67 -0.021 2.922 -5.175 491 HA LEU 67 HA LEU 67 -0.017 2.103 -7.985 492 HB2 LEU 67 HB2 LEU 67 1.560 0.954 -5.720 493 HB3 LEU 67 HB1 LEU 67 0.975 -0.112 -6.974 494 HG LEU 67 HG LEU 67 2.251 1.246 -8.622 495 HD11 LEU 67 HD11 LEU 67 3.457 2.667 -6.258 496 HD12 LEU 67 HD12 LEU 67 2.484 3.336 -7.553 497 HD13 LEU 67 HD13 LEU 67 4.067 2.674 -7.912 498 HD21 LEU 67 HD21 LEU 67 3.085 -0.826 -7.836 499 HD22 LEU 67 HD22 LEU 67 3.804 -0.061 -6.425 500 HD23 LEU 67 HD23 LEU 67 4.409 0.311 -8.060 501 H THR 68 HN THR 68 -1.392 0.424 -8.451 502 HA THR 68 HA THR 68 -3.283 -0.191 -6.300 503 HB THR 68 HB THR 68 -3.850 -0.195 -9.264 504 HG1 THR 68 HG1 THR 68 -4.895 1.886 -7.788 505 HG21 THR 68 HG21 THR 68 -5.630 -0.023 -6.828 506 HG22 THR 68 HG22 THR 68 -5.392 -1.454 -7.829 507 HG23 THR 68 HG23 THR 68 -6.180 -0.027 -8.503 508 H ASN 69 HN ASN 69 -2.953 -2.214 -5.637 509 HA ASN 69 HA ASN 69 -2.358 -4.385 -5.517 510 HB2 ASN 69 HB2 ASN 69 -4.657 -4.445 -6.472 511 HB3 ASN 69 HB1 ASN 69 -3.946 -4.568 -8.075 512 HD21 ASN 69 HD21 ASN 69 -4.926 -6.523 -8.455 513 HD22 ASN 69 HD22 ASN 69 -4.407 -7.981 -7.695 514 HA PRO 70 HA PRO 70 1.070 -4.793 -8.522 515 HB2 PRO 70 HB2 PRO 70 3.093 -3.791 -7.133 516 HB3 PRO 70 HB1 PRO 70 1.919 -2.714 -7.898 517 HG2 PRO 70 HG2 PRO 70 2.249 -3.406 -5.032 518 HG3 PRO 70 HG1 PRO 70 1.630 -1.915 -5.760 519 HD2 PRO 70 HD2 PRO 70 0.138 -4.141 -4.735 520 HD3 PRO 70 HD1 PRO 70 -0.501 -2.670 -5.499 521 H SER 71 HN SER 71 3.322 -5.886 -8.009 522 HA SER 71 HA SER 71 2.843 -8.218 -6.408 523 HB2 SER 71 HB2 SER 71 4.081 -8.314 -8.590 524 HB3 SER 71 HB1 SER 71 5.356 -7.345 -7.822 525 HG SER 71 HG SER 71 5.660 -9.630 -7.942 526 H ALA 72 HN ALA 72 4.189 -8.862 -4.690 527 HA ALA 72 HA ALA 72 4.722 -6.947 -2.710 528 HB1 ALA 72 HB1 ALA 72 5.660 -9.760 -3.041 529 HB2 ALA 72 HB2 ALA 72 4.150 -9.266 -2.277 530 HB3 ALA 72 HB3 ALA 72 5.708 -8.861 -1.517 531 H ASP 73 HN ASP 73 6.693 -8.580 -5.100 532 HA ASP 73 HA ASP 73 9.243 -7.808 -4.176 533 HB2 ASP 73 HB2 ASP 73 9.009 -9.562 -5.843 534 HB3 ASP 73 HB1 ASP 73 8.314 -8.411 -6.988 535 H GLU 74 HN GLU 74 7.010 -6.380 -6.465 536 HA GLU 74 HA GLU 74 8.490 -4.161 -7.220 537 HB2 GLU 74 HB2 GLU 74 5.532 -4.596 -6.997 538 HB3 GLU 74 HB1 GLU 74 6.206 -3.079 -7.559 539 HG2 GLU 74 HG2 GLU 74 6.739 -5.751 -8.831 540 HG3 GLU 74 HG1 GLU 74 5.561 -4.568 -9.410 541 H VAL 75 HN VAL 75 6.218 -4.604 -4.592 542 HA VAL 75 HA VAL 75 6.267 -2.026 -3.596 543 HB VAL 75 HB VAL 75 5.777 -4.622 -2.109 544 HG11 VAL 75 HG11 VAL 75 6.380 -2.851 -0.528 545 HG12 VAL 75 HG12 VAL 75 4.675 -3.274 -0.400 546 HG13 VAL 75 HG13 VAL 75 5.153 -1.796 -1.238 547 HG21 VAL 75 HG21 VAL 75 3.420 -3.994 -2.359 548 HG22 VAL 75 HG22 VAL 75 4.220 -4.214 -3.917 549 HG23 VAL 75 HG23 VAL 75 3.903 -2.589 -3.306 550 H LYS 76 HN LYS 76 8.376 -4.772 -2.805 551 HA LYS 76 HA LYS 76 9.742 -3.463 -0.721 552 HB2 LYS 76 HB2 LYS 76 9.873 -5.881 -0.934 553 HB3 LYS 76 HB1 LYS 76 10.704 -5.727 -2.474 554 HG2 LYS 76 HG2 LYS 76 12.625 -4.729 -1.373 555 HG3 LYS 76 HG1 LYS 76 11.789 -4.774 0.175 556 HD2 LYS 76 HD2 LYS 76 11.760 -7.193 0.126 557 HD3 LYS 76 HD1 LYS 76 12.469 -7.193 -1.487 558 HE2 LYS 76 HE2 LYS 76 14.170 -7.668 0.202 559 HE3 LYS 76 HE1 LYS 76 14.489 -6.150 -0.625 560 HZ1 LYS 76 HZ1 LYS 76 13.575 -4.970 1.359 561 HZ2 LYS 76 HZ2 LYS 76 14.887 -5.932 1.703 562 HZ3 LYS 76 HZ3 LYS 76 13.361 -6.470 2.109 563 H ALA 77 HN ALA 77 10.561 -3.657 -4.175 564 HA ALA 77 HA ALA 77 12.980 -2.159 -3.802 565 HB1 ALA 77 HB1 ALA 77 13.127 -2.107 -6.226 566 HB2 ALA 77 HB2 ALA 77 11.465 -2.697 -6.335 567 HB3 ALA 77 HB3 ALA 77 12.726 -3.729 -5.652 568 H LYS 78 HN LYS 78 9.688 -1.293 -4.299 569 HA LYS 78 HA LYS 78 10.366 1.426 -4.977 570 HB2 LYS 78 HB2 LYS 78 7.720 0.301 -4.035 571 HB3 LYS 78 HB1 LYS 78 7.972 1.911 -4.685 572 HG2 LYS 78 HG2 LYS 78 8.386 -0.660 -6.192 573 HG3 LYS 78 HG1 LYS 78 6.955 0.355 -6.281 574 HD2 LYS 78 HD2 LYS 78 8.347 2.184 -7.193 575 HD3 LYS 78 HD1 LYS 78 9.758 1.121 -7.115 576 HE2 LYS 78 HE2 LYS 78 7.254 0.544 -8.706 577 HE3 LYS 78 HE1 LYS 78 8.731 1.218 -9.385 578 HZ1 LYS 78 HZ1 LYS 78 8.434 -1.279 -9.629 579 HZ2 LYS 78 HZ2 LYS 78 8.735 -1.422 -7.983 580 HZ3 LYS 78 HZ3 LYS 78 9.884 -0.769 -8.995 581 H LEU 79 HN LEU 79 9.544 -0.445 -2.149 582 HA LEU 79 HA LEU 79 9.125 1.534 -0.308 583 HB2 LEU 79 HB2 LEU 79 8.763 -0.882 0.187 584 HB3 LEU 79 HB1 LEU 79 10.470 -1.126 0.055 585 HG LEU 79 HG LEU 79 10.883 0.167 2.041 586 HD11 LEU 79 HD11 LEU 79 7.909 0.530 2.186 587 HD12 LEU 79 HD12 LEU 79 9.175 1.783 2.191 588 HD13 LEU 79 HD13 LEU 79 8.986 0.706 3.555 589 HD21 LEU 79 HD21 LEU 79 9.922 -1.412 3.665 590 HD22 LEU 79 HD22 LEU 79 10.596 -2.215 2.244 591 HD23 LEU 79 HD23 LEU 79 8.852 -2.015 2.397 592 H VAL 80 HN VAL 80 12.131 -0.060 -1.232 593 HA VAL 80 HA VAL 80 13.776 1.273 0.570 594 HB VAL 80 HB VAL 80 15.699 0.532 -0.745 595 HG11 VAL 80 HG11 VAL 80 13.557 -1.558 -0.568 596 HG12 VAL 80 HG12 VAL 80 14.644 -1.062 0.726 597 HG13 VAL 80 HG13 VAL 80 15.286 -1.870 -0.706 598 HG21 VAL 80 HG21 VAL 80 13.682 -0.253 -2.833 599 HG22 VAL 80 HG22 VAL 80 15.376 -0.751 -2.840 600 HG23 VAL 80 HG23 VAL 80 14.955 0.955 -2.995 601 H LYS 81 HN LYS 81 12.678 2.288 -2.578 602 HA LYS 81 HA LYS 81 14.549 4.463 -2.601 603 HB2 LYS 81 HB2 LYS 81 13.570 5.183 -4.701 604 HB3 LYS 81 HB1 LYS 81 13.916 3.464 -4.763 605 HG2 LYS 81 HG2 LYS 81 11.512 3.038 -4.312 606 HG3 LYS 81 HG1 LYS 81 11.231 4.773 -4.405 607 HD2 LYS 81 HD2 LYS 81 12.357 3.072 -6.627 608 HD3 LYS 81 HD1 LYS 81 10.687 3.614 -6.514 609 HE2 LYS 81 HE2 LYS 81 13.094 5.436 -6.701 610 HE3 LYS 81 HE1 LYS 81 12.077 4.973 -8.054 611 HZ1 LYS 81 HZ1 LYS 81 11.493 7.128 -7.188 612 HZ2 LYS 81 HZ2 LYS 81 11.113 6.476 -5.668 613 HZ3 LYS 81 HZ3 LYS 81 10.223 6.045 -7.029 614 H ILE 82 HN ILE 82 11.138 4.026 -1.857 615 HA ILE 82 HA ILE 82 10.721 6.847 -1.716 616 HB ILE 82 HB ILE 82 8.418 6.391 -1.015 617 HG12 ILE 82 HG12 ILE 82 7.727 3.855 -1.234 618 HG13 ILE 82 HG11 ILE 82 9.392 3.568 -0.771 619 HG21 ILE 82 HG21 ILE 82 8.946 6.411 -3.348 620 HG22 ILE 82 HG22 ILE 82 7.680 5.226 -3.025 621 HG23 ILE 82 HG23 ILE 82 9.336 4.692 -3.304 622 HD11 ILE 82 HD11 ILE 82 7.898 3.437 1.143 623 HD12 ILE 82 HD12 ILE 82 7.363 5.093 0.849 624 HD13 ILE 82 HD13 ILE 82 9.035 4.774 1.315 625 H ALA 83 HN ALA 83 11.437 4.374 0.610 626 HA ALA 83 HA ALA 83 10.854 6.024 2.866 627 HB1 ALA 83 HB1 ALA 83 10.882 3.571 3.060 628 HB2 ALA 83 HB2 ALA 83 12.048 4.306 4.163 629 HB3 ALA 83 HB3 ALA 83 12.599 3.560 2.664 630 H GLY 84 HN GLY 84 13.711 5.140 1.027 631 HA2 GLY 84 HA2 GLY 84 15.533 6.481 0.547 632 HA3 GLY 84 HA1 GLY 84 14.909 7.676 1.677 633 H LEU 85 HN LEU 85 14.719 6.367 3.930 634 HA LEU 85 HA LEU 85 17.463 6.069 4.692 635 HB2 LEU 85 HB2 LEU 85 16.538 6.001 7.025 636 HB3 LEU 85 HB1 LEU 85 16.261 7.471 6.129 637 HG LEU 85 HG LEU 85 13.898 6.627 5.694 638 HD11 LEU 85 HD11 LEU 85 14.197 4.272 6.164 639 HD12 LEU 85 HD12 LEU 85 12.968 4.972 7.219 640 HD13 LEU 85 HD13 LEU 85 14.584 4.639 7.845 641 HD21 LEU 85 HD21 LEU 85 13.095 7.295 7.907 642 HD22 LEU 85 HD22 LEU 85 14.370 8.354 7.305 643 HD23 LEU 85 HD23 LEU 85 14.738 7.144 8.536 644 H GLU 86 HN GLU 86 18.069 4.489 6.266 645 HA GLU 86 HA GLU 86 18.562 2.467 6.995 646 HB2 GLU 86 HB2 GLU 86 16.159 2.751 7.833 647 HB3 GLU 86 HB1 GLU 86 15.703 1.623 6.559 648 HG2 GLU 86 HG2 GLU 86 16.047 0.578 8.796 649 HG3 GLU 86 HG1 GLU 86 17.058 -0.101 7.514 650 H HIS 87 HN HIS 87 18.885 2.956 4.201 651 HA HIS 87 HA HIS 87 18.733 0.185 3.312 652 HB2 HIS 87 HB2 HIS 87 17.735 2.014 1.800 653 HB3 HIS 87 HB1 HIS 87 19.381 2.577 1.561 654 HD1 HIS 87 HD1 HIS 87 17.220 -0.459 0.910 655 HD2 HIS 87 HD2 HIS 87 20.796 1.229 -0.350 656 HE1 HIS 87 HE1 HIS 87 17.965 -1.816 -1.070 657 H HIS 88 HN HIS 88 20.401 -0.345 4.739 658 HA HIS 88 HA HIS 88 23.048 0.684 3.979 659 HB2 HIS 88 HB2 HIS 88 22.176 -0.363 6.683 660 HB3 HIS 88 HB1 HIS 88 23.762 0.280 6.291 661 HD1 HIS 88 HD1 HIS 88 20.641 1.225 7.881 662 HD2 HIS 88 HD2 HIS 88 23.500 3.156 5.532 663 HE1 HIS 88 HE1 HIS 88 20.362 3.664 8.311 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 8.029 5.016 18.422 2 H2 MET 1 HT2 MET 1 6.419 5.496 18.350 3 H3 MET 1 HT3 MET 1 7.603 6.619 18.756 4 HA MET 1 HA MET 1 6.798 6.875 16.505 5 HB2 MET 1 HB2 MET 1 8.959 6.920 15.349 6 HB3 MET 1 HB1 MET 1 9.144 7.514 16.989 7 HG2 MET 1 HG2 MET 1 10.160 5.424 17.672 8 HG3 MET 1 HG1 MET 1 9.833 4.717 16.097 9 HE1 MET 1 HE1 MET 1 12.883 8.118 16.798 10 HE2 MET 1 HE2 MET 1 11.922 7.383 18.084 11 HE3 MET 1 HE3 MET 1 11.139 8.368 16.846 12 H VAL 2 HN VAL 2 5.912 5.885 14.818 13 HA VAL 2 HA VAL 2 6.945 3.274 14.069 14 HB VAL 2 HB VAL 2 4.682 2.620 13.222 15 HG11 VAL 2 HG11 VAL 2 3.636 2.076 15.369 16 HG12 VAL 2 HG12 VAL 2 4.743 3.188 16.174 17 HG13 VAL 2 HG13 VAL 2 5.370 1.753 15.362 18 HG21 VAL 2 HG21 VAL 2 3.667 5.042 14.723 19 HG22 VAL 2 HG22 VAL 2 2.666 3.813 13.958 20 HG23 VAL 2 HG23 VAL 2 3.694 4.854 12.971 21 H THR 3 HN THR 3 7.122 3.001 11.833 22 HA THR 3 HA THR 3 6.533 5.404 10.365 23 HB THR 3 HB THR 3 8.857 5.655 10.951 24 HG1 THR 3 HG1 THR 3 8.518 6.417 8.965 25 HG21 THR 3 HG21 THR 3 9.339 2.963 9.655 26 HG22 THR 3 HG22 THR 3 9.459 3.324 11.376 27 HG23 THR 3 HG23 THR 3 10.594 4.053 10.242 28 H ALA 4 HN ALA 4 5.265 4.952 8.851 29 HA ALA 4 HA ALA 4 5.515 2.401 7.446 30 HB1 ALA 4 HB1 ALA 4 3.387 2.659 8.607 31 HB2 ALA 4 HB2 ALA 4 3.154 2.695 6.862 32 HB3 ALA 4 HB3 ALA 4 3.118 4.198 7.790 33 H ALA 5 HN ALA 5 6.504 2.697 5.608 34 HA ALA 5 HA ALA 5 6.582 5.316 4.366 35 HB1 ALA 5 HB1 ALA 5 8.218 4.292 2.853 36 HB2 ALA 5 HB2 ALA 5 7.905 2.725 3.612 37 HB3 ALA 5 HB3 ALA 5 8.634 4.028 4.547 38 H LEU 6 HN LEU 6 4.471 2.927 4.370 39 HA LEU 6 HA LEU 6 3.332 3.708 1.864 40 HB2 LEU 6 HB2 LEU 6 2.688 1.314 1.393 41 HB3 LEU 6 HB1 LEU 6 4.314 1.750 0.985 42 HG LEU 6 HG LEU 6 3.662 0.353 3.552 43 HD11 LEU 6 HD11 LEU 6 4.288 -0.875 0.855 44 HD12 LEU 6 HD12 LEU 6 2.734 -0.970 1.685 45 HD13 LEU 6 HD13 LEU 6 4.150 -1.759 2.374 46 HD21 LEU 6 HD21 LEU 6 5.890 1.325 3.333 47 HD22 LEU 6 HD22 LEU 6 6.131 0.436 1.828 48 HD23 LEU 6 HD23 LEU 6 5.965 -0.437 3.352 49 H THR 7 HN THR 7 1.339 4.057 2.067 50 HA THR 7 HA THR 7 -0.110 3.136 4.422 51 HB THR 7 HB THR 7 -0.847 5.273 2.391 52 HG1 THR 7 HG1 THR 7 0.350 5.611 4.947 53 HG21 THR 7 HG21 THR 7 -2.700 4.394 3.728 54 HG22 THR 7 HG22 THR 7 -2.339 6.064 4.167 55 HG23 THR 7 HG23 THR 7 -1.803 4.740 5.204 56 H ILE 8 HN ILE 8 -1.503 1.483 4.039 57 HA ILE 8 HA ILE 8 -2.175 0.877 1.243 58 HB ILE 8 HB ILE 8 -1.870 -1.007 3.589 59 HG12 ILE 8 HG12 ILE 8 -0.359 -0.759 0.990 60 HG13 ILE 8 HG11 ILE 8 0.240 -0.327 2.590 61 HG21 ILE 8 HG21 ILE 8 -3.767 -1.711 2.244 62 HG22 ILE 8 HG22 ILE 8 -2.434 -2.841 2.073 63 HG23 ILE 8 HG23 ILE 8 -2.785 -1.694 0.775 64 HD11 ILE 8 HD11 ILE 8 1.131 -2.446 1.862 65 HD12 ILE 8 HD12 ILE 8 -0.505 -3.073 1.649 66 HD13 ILE 8 HD13 ILE 8 0.081 -2.663 3.262 67 H TYR 9 HN TYR 9 -4.197 0.935 0.705 68 HA TYR 9 HA TYR 9 -6.067 1.477 2.754 69 HB2 TYR 9 HB2 TYR 9 -6.410 1.318 -0.241 70 HB3 TYR 9 HB1 TYR 9 -7.686 1.786 0.881 71 HD1 TYR 9 HD1 TYR 9 -7.453 3.884 2.200 72 HD2 TYR 9 HD2 TYR 9 -4.706 2.882 -0.875 73 HE1 TYR 9 HE1 TYR 9 -6.649 6.208 2.171 74 HE2 TYR 9 HE2 TYR 9 -3.897 5.201 -0.919 75 HH TYR 9 HH TYR 9 -4.713 7.459 1.525 76 H THR 10 HN THR 10 -7.549 0.103 3.632 77 HA THR 10 HA THR 10 -7.679 -2.587 2.508 78 HB THR 10 HB THR 10 -7.524 -3.442 4.886 79 HG1 THR 10 HG1 THR 10 -7.555 -0.998 5.592 80 HG21 THR 10 HG21 THR 10 -5.048 -2.170 3.720 81 HG22 THR 10 HG22 THR 10 -5.720 -3.718 3.220 82 HG23 THR 10 HG23 THR 10 -5.071 -3.523 4.857 83 H THR 11 HN THR 11 -9.551 -3.692 2.878 84 HA THR 11 HA THR 11 -11.498 -2.687 4.771 85 HB THR 11 HB THR 11 -13.329 -3.212 3.153 86 HG1 THR 11 HG1 THR 11 -11.307 -3.321 1.163 87 HG21 THR 11 HG21 THR 11 -13.145 -1.263 1.668 88 HG22 THR 11 HG22 THR 11 -11.442 -1.092 2.106 89 HG23 THR 11 HG23 THR 11 -12.698 -0.859 3.322 90 H SER 12 HN SER 12 -12.991 -4.508 5.271 91 HA SER 12 HA SER 12 -11.529 -6.985 5.202 92 HB2 SER 12 HB2 SER 12 -13.397 -7.791 6.689 93 HB3 SER 12 HB1 SER 12 -12.497 -6.416 7.320 94 HG SER 12 HG SER 12 -14.231 -5.060 6.537 95 H TRP 13 HN TRP 13 -13.427 -5.532 3.056 96 HA TRP 13 HA TRP 13 -15.292 -7.616 2.380 97 HB2 TRP 13 HB2 TRP 13 -14.460 -5.272 0.668 98 HB3 TRP 13 HB1 TRP 13 -15.941 -6.207 0.552 99 HD1 TRP 13 HD1 TRP 13 -16.596 -6.002 3.779 100 HE1 TRP 13 HE1 TRP 13 -17.515 -3.770 4.659 101 HE3 TRP 13 HE3 TRP 13 -15.076 -2.949 -0.021 102 HZ2 TRP 13 HZ2 TRP 13 -17.595 -1.073 3.846 103 HZ3 TRP 13 HZ3 TRP 13 -15.621 -0.554 0.107 104 HH2 TRP 13 HH2 TRP 13 -16.852 0.358 2.005 105 H CYS 14 HN CYS 14 -12.099 -6.637 1.431 106 HA CYS 14 HA CYS 14 -12.157 -8.510 -0.805 107 HB2 CYS 14 HB2 CYS 14 -10.084 -7.264 -1.505 108 HB3 CYS 14 HB1 CYS 14 -11.592 -6.349 -1.557 109 H GLY 15 HN GLY 15 -10.969 -10.270 -0.812 110 HA2 GLY 15 HA2 GLY 15 -9.342 -10.903 1.487 111 HA3 GLY 15 HA1 GLY 15 -9.784 -12.000 0.179 112 H TYR 16 HN TYR 16 -8.905 -10.003 -1.862 113 HA TYR 16 HA TYR 16 -6.236 -10.905 -2.101 114 HB2 TYR 16 HB2 TYR 16 -7.520 -10.367 -4.125 115 HB3 TYR 16 HB1 TYR 16 -7.662 -8.691 -3.617 116 HD1 TYR 16 HD1 TYR 16 -5.103 -11.262 -4.529 117 HD2 TYR 16 HD2 TYR 16 -6.082 -7.135 -4.318 118 HE1 TYR 16 HE1 TYR 16 -3.004 -10.712 -5.695 119 HE2 TYR 16 HE2 TYR 16 -3.985 -6.562 -5.486 120 HH TYR 16 HH TYR 16 -1.731 -7.556 -5.890 121 H CYS 17 HN CYS 17 -7.677 -7.939 -0.954 122 HA CYS 17 HA CYS 17 -5.477 -6.339 -0.653 123 HB2 CYS 17 HB2 CYS 17 -7.797 -6.625 1.256 124 HB3 CYS 17 HB1 CYS 17 -6.718 -5.234 1.158 125 H LEU 18 HN LEU 18 -6.855 -8.793 1.510 126 HA LEU 18 HA LEU 18 -5.029 -8.531 3.628 127 HB2 LEU 18 HB2 LEU 18 -7.298 -9.441 3.865 128 HB3 LEU 18 HB1 LEU 18 -6.857 -10.812 2.876 129 HG LEU 18 HG LEU 18 -5.426 -10.326 5.488 130 HD11 LEU 18 HD11 LEU 18 -8.043 -11.765 5.099 131 HD12 LEU 18 HD12 LEU 18 -7.809 -10.233 5.949 132 HD13 LEU 18 HD13 LEU 18 -7.089 -11.713 6.588 133 HD21 LEU 18 HD21 LEU 18 -4.565 -12.070 3.967 134 HD22 LEU 18 HD22 LEU 18 -6.151 -12.845 3.974 135 HD23 LEU 18 HD23 LEU 18 -5.207 -12.752 5.459 136 H ARG 19 HN ARG 19 -5.159 -10.634 0.815 137 HA ARG 19 HA ARG 19 -3.060 -12.355 1.477 138 HB2 ARG 19 HB2 ARG 19 -4.019 -11.430 -1.213 139 HB3 ARG 19 HB1 ARG 19 -2.724 -12.594 -1.021 140 HG2 ARG 19 HG2 ARG 19 -4.284 -14.068 0.207 141 HG3 ARG 19 HG1 ARG 19 -5.575 -12.905 -0.112 142 HD2 ARG 19 HD2 ARG 19 -5.553 -14.773 -1.738 143 HD3 ARG 19 HD1 ARG 19 -5.318 -13.200 -2.489 144 HE ARG 19 HE ARG 19 -2.796 -13.933 -2.149 145 HH11 ARG 19 HH11 ARG 19 -5.405 -16.033 -3.268 146 HH12 ARG 19 HH12 ARG 19 -4.471 -16.794 -4.455 147 HH21 ARG 19 HH21 ARG 19 -1.510 -14.990 -3.680 148 HH22 ARG 19 HH22 ARG 19 -2.148 -16.221 -4.675 149 H LEU 20 HN LEU 20 -2.875 -9.414 -0.506 150 HA LEU 20 HA LEU 20 -0.108 -9.472 -0.833 151 HB2 LEU 20 HB2 LEU 20 -1.457 -8.070 -2.255 152 HB3 LEU 20 HB1 LEU 20 -2.076 -7.186 -0.883 153 HG LEU 20 HG LEU 20 0.336 -6.351 -0.567 154 HD11 LEU 20 HD11 LEU 20 1.652 -7.738 -2.026 155 HD12 LEU 20 HD12 LEU 20 1.611 -6.119 -2.685 156 HD13 LEU 20 HD13 LEU 20 0.592 -7.355 -3.387 157 HD21 LEU 20 HD21 LEU 20 -0.019 -4.527 -2.173 158 HD22 LEU 20 HD22 LEU 20 -1.469 -4.922 -1.252 159 HD23 LEU 20 HD23 LEU 20 -1.309 -5.473 -2.920 160 H LYS 21 HN LYS 21 -2.177 -8.020 1.532 161 HA LYS 21 HA LYS 21 -0.466 -6.463 3.069 162 HB2 LYS 21 HB2 LYS 21 -2.984 -6.667 3.096 163 HB3 LYS 21 HB1 LYS 21 -2.781 -8.137 4.026 164 HG2 LYS 21 HG2 LYS 21 -1.756 -6.863 5.808 165 HG3 LYS 21 HG1 LYS 21 -1.935 -5.386 4.859 166 HD2 LYS 21 HD2 LYS 21 -4.369 -5.751 4.798 167 HD3 LYS 21 HD1 LYS 21 -4.169 -7.163 5.835 168 HE2 LYS 21 HE2 LYS 21 -3.465 -4.312 6.523 169 HE3 LYS 21 HE1 LYS 21 -4.850 -5.216 7.117 170 HZ1 LYS 21 HZ1 LYS 21 -2.001 -5.904 7.670 171 HZ2 LYS 21 HZ2 LYS 21 -3.368 -6.710 8.269 172 HZ3 LYS 21 HZ3 LYS 21 -3.076 -5.104 8.703 173 H THR 22 HN THR 22 -1.332 -9.890 3.342 174 HA THR 22 HA THR 22 0.157 -10.567 5.617 175 HB THR 22 HB THR 22 -0.673 -12.300 3.267 176 HG1 THR 22 HG1 THR 22 -2.466 -11.363 4.181 177 HG21 THR 22 HG21 THR 22 -0.573 -14.170 4.869 178 HG22 THR 22 HG22 THR 22 0.013 -13.069 6.115 179 HG23 THR 22 HG23 THR 22 1.009 -13.405 4.698 180 H ALA 23 HN ALA 23 0.944 -10.696 2.176 181 HA ALA 23 HA ALA 23 3.477 -11.900 2.290 182 HB1 ALA 23 HB1 ALA 23 3.820 -10.931 0.087 183 HB2 ALA 23 HB2 ALA 23 2.458 -9.839 0.343 184 HB3 ALA 23 HB3 ALA 23 2.181 -11.576 0.232 185 H LEU 24 HN LEU 24 2.575 -8.502 2.305 186 HA LEU 24 HA LEU 24 5.207 -7.492 2.438 187 HB2 LEU 24 HB2 LEU 24 2.666 -6.206 3.398 188 HB3 LEU 24 HB1 LEU 24 4.165 -5.379 3.027 189 HG LEU 24 HG LEU 24 2.438 -6.842 1.055 190 HD11 LEU 24 HD11 LEU 24 2.897 -3.901 1.416 191 HD12 LEU 24 HD12 LEU 24 1.479 -4.793 1.945 192 HD13 LEU 24 HD13 LEU 24 1.830 -4.669 0.229 193 HD21 LEU 24 HD21 LEU 24 4.913 -5.174 0.623 194 HD22 LEU 24 HD22 LEU 24 3.877 -5.815 -0.649 195 HD23 LEU 24 HD23 LEU 24 4.777 -6.918 0.388 196 H THR 25 HN THR 25 2.899 -8.428 4.898 197 HA THR 25 HA THR 25 4.269 -7.363 7.118 198 HB THR 25 HB THR 25 2.519 -9.859 7.129 199 HG1 THR 25 HG1 THR 25 1.466 -7.967 6.164 200 HG21 THR 25 HG21 THR 25 3.756 -9.446 9.220 201 HG22 THR 25 HG22 THR 25 2.023 -9.184 9.440 202 HG23 THR 25 HG23 THR 25 3.107 -7.807 9.271 203 H ALA 26 HN ALA 26 4.372 -10.573 5.572 204 HA ALA 26 HA ALA 26 6.285 -11.732 7.304 205 HB1 ALA 26 HB1 ALA 26 4.820 -13.071 5.847 206 HB2 ALA 26 HB2 ALA 26 6.521 -13.459 5.591 207 HB3 ALA 26 HB3 ALA 26 5.665 -12.435 4.438 208 H ASN 27 HN ASN 27 6.526 -9.866 4.426 209 HA ASN 27 HA ASN 27 9.375 -10.237 4.153 210 HB2 ASN 27 HB2 ASN 27 7.240 -8.899 2.626 211 HB3 ASN 27 HB1 ASN 27 8.907 -8.376 2.312 212 HD21 ASN 27 HD21 ASN 27 6.562 -10.899 2.033 213 HD22 ASN 27 HD22 ASN 27 7.487 -11.953 1.023 214 H ARG 28 HN ARG 28 8.074 -8.818 6.488 215 HA ARG 28 HA ARG 28 8.471 -7.200 7.955 216 HB2 ARG 28 HB2 ARG 28 10.793 -6.455 8.330 217 HB3 ARG 28 HB1 ARG 28 10.714 -8.177 8.035 218 HG2 ARG 28 HG2 ARG 28 11.526 -7.816 5.745 219 HG3 ARG 28 HG1 ARG 28 11.581 -6.082 6.045 220 HD2 ARG 28 HD2 ARG 28 13.173 -8.165 7.540 221 HD3 ARG 28 HD1 ARG 28 13.793 -7.152 6.240 222 HE ARG 28 HE ARG 28 12.634 -5.643 8.362 223 HH11 ARG 28 HH11 ARG 28 15.637 -7.260 7.380 224 HH12 ARG 28 HH12 ARG 28 16.620 -6.313 8.404 225 HH21 ARG 28 HH21 ARG 28 13.973 -4.394 9.710 226 HH22 ARG 28 HH22 ARG 28 15.663 -4.628 9.748 227 H ILE 29 HN ILE 29 7.417 -6.332 5.356 228 HA ILE 29 HA ILE 29 8.435 -3.645 5.106 229 HB ILE 29 HB ILE 29 6.152 -5.027 3.628 230 HG12 ILE 29 HG12 ILE 29 8.986 -4.408 2.708 231 HG13 ILE 29 HG11 ILE 29 8.406 -5.996 3.182 232 HG21 ILE 29 HG21 ILE 29 5.882 -2.605 3.715 233 HG22 ILE 29 HG22 ILE 29 6.291 -3.125 2.075 234 HG23 ILE 29 HG23 ILE 29 7.518 -2.388 3.107 235 HD11 ILE 29 HD11 ILE 29 8.527 -5.747 0.771 236 HD12 ILE 29 HD12 ILE 29 7.417 -4.374 0.845 237 HD13 ILE 29 HD13 ILE 29 6.864 -5.988 1.301 238 H ALA 30 HN ALA 30 7.747 -2.114 6.380 239 HA ALA 30 HA ALA 30 5.429 -2.471 8.046 240 HB1 ALA 30 HB1 ALA 30 6.202 -0.463 9.158 241 HB2 ALA 30 HB2 ALA 30 7.384 -0.204 7.875 242 HB3 ALA 30 HB3 ALA 30 7.536 -1.604 8.941 243 H TYR 31 HN TYR 31 3.500 -1.841 7.481 244 HA TYR 31 HA TYR 31 3.187 0.462 5.695 245 HB2 TYR 31 HB2 TYR 31 1.286 -0.707 4.619 246 HB3 TYR 31 HB1 TYR 31 2.804 -1.558 4.373 247 HD1 TYR 31 HD1 TYR 31 -0.390 -1.608 6.247 248 HD2 TYR 31 HD2 TYR 31 3.103 -3.785 5.177 249 HE1 TYR 31 HE1 TYR 31 -1.386 -3.649 7.166 250 HE2 TYR 31 HE2 TYR 31 2.109 -5.832 6.102 251 HH TYR 31 HH TYR 31 0.455 -6.531 7.587 252 H ASP 32 HN ASP 32 1.151 1.507 5.905 253 HA ASP 32 HA ASP 32 -0.129 1.117 8.528 254 HB2 ASP 32 HB2 ASP 32 0.919 3.307 8.333 255 HB3 ASP 32 HB1 ASP 32 0.076 3.596 6.815 256 H GLU 33 HN GLU 33 -2.005 0.119 8.351 257 HA GLU 33 HA GLU 33 -3.404 0.067 5.817 258 HB2 GLU 33 HB2 GLU 33 -4.879 -1.580 6.886 259 HB3 GLU 33 HB1 GLU 33 -3.195 -1.997 7.082 260 HG2 GLU 33 HG2 GLU 33 -3.202 -1.126 9.374 261 HG3 GLU 33 HG1 GLU 33 -4.901 -0.702 9.200 262 H VAL 34 HN VAL 34 -5.309 1.057 5.358 263 HA VAL 34 HA VAL 34 -6.017 3.147 7.257 264 HB VAL 34 HB VAL 34 -7.156 3.053 4.470 265 HG11 VAL 34 HG11 VAL 34 -6.749 5.323 6.349 266 HG12 VAL 34 HG12 VAL 34 -8.282 4.579 5.879 267 HG13 VAL 34 HG13 VAL 34 -7.335 5.449 4.693 268 HG21 VAL 34 HG21 VAL 34 -4.542 4.278 5.326 269 HG22 VAL 34 HG22 VAL 34 -5.311 4.496 3.754 270 HG23 VAL 34 HG23 VAL 34 -4.732 2.902 4.241 271 H ASP 35 HN ASP 35 -7.794 3.584 7.942 272 HA ASP 35 HA ASP 35 -9.770 1.764 8.684 273 HB2 ASP 35 HB2 ASP 35 -10.715 3.982 9.665 274 HB3 ASP 35 HB1 ASP 35 -9.241 3.265 10.311 275 H ILE 36 HN ILE 36 -9.625 3.176 5.735 276 HA ILE 36 HA ILE 36 -11.780 4.807 5.207 277 HB ILE 36 HB ILE 36 -11.889 4.088 2.888 278 HG12 ILE 36 HG12 ILE 36 -9.828 1.995 3.393 279 HG13 ILE 36 HG11 ILE 36 -11.534 1.579 3.574 280 HG21 ILE 36 HG21 ILE 36 -9.085 4.175 3.934 281 HG22 ILE 36 HG22 ILE 36 -10.118 5.552 3.555 282 HG23 ILE 36 HG23 ILE 36 -9.571 4.481 2.263 283 HD11 ILE 36 HD11 ILE 36 -10.741 0.972 1.331 284 HD12 ILE 36 HD12 ILE 36 -10.234 2.635 1.040 285 HD13 ILE 36 HD13 ILE 36 -11.925 2.258 1.218 286 H GLU 37 HN GLU 37 -12.068 1.390 5.777 287 HA GLU 37 HA GLU 37 -14.513 0.862 4.518 288 HB2 GLU 37 HB2 GLU 37 -12.955 -0.838 5.616 289 HB3 GLU 37 HB1 GLU 37 -13.606 -0.306 7.149 290 HG2 GLU 37 HG2 GLU 37 -15.858 -0.928 6.398 291 HG3 GLU 37 HG1 GLU 37 -15.162 -1.562 4.911 292 H HIS 38 HN HIS 38 -13.715 2.356 7.565 293 HA HIS 38 HA HIS 38 -16.486 2.412 8.465 294 HB2 HIS 38 HB2 HIS 38 -13.964 3.367 9.838 295 HB3 HIS 38 HB1 HIS 38 -15.557 3.250 10.569 296 HD1 HIS 38 HD1 HIS 38 -16.122 1.039 11.654 297 HD2 HIS 38 HD2 HIS 38 -12.790 0.808 9.191 298 HE1 HIS 38 HE1 HIS 38 -15.136 -1.264 12.005 299 H ASN 39 HN ASN 39 -13.946 4.527 7.325 300 HA ASN 39 HA ASN 39 -15.812 6.753 7.566 301 HB2 ASN 39 HB2 ASN 39 -13.669 8.233 7.555 302 HB3 ASN 39 HB1 ASN 39 -14.223 7.498 9.059 303 HD21 ASN 39 HD21 ASN 39 -11.706 7.575 6.577 304 HD22 ASN 39 HD22 ASN 39 -10.630 6.596 7.494 305 H ARG 40 HN ARG 40 -16.619 7.445 5.881 306 HA ARG 40 HA ARG 40 -15.762 6.845 3.283 307 HB2 ARG 40 HB2 ARG 40 -17.464 8.464 2.507 308 HB3 ARG 40 HB1 ARG 40 -18.097 7.315 3.670 309 HG2 ARG 40 HG2 ARG 40 -18.024 8.973 5.416 310 HG3 ARG 40 HG1 ARG 40 -17.241 10.122 4.337 311 HD2 ARG 40 HD2 ARG 40 -19.628 10.597 4.575 312 HD3 ARG 40 HD1 ARG 40 -19.199 10.177 2.928 313 HE ARG 40 HE ARG 40 -20.035 7.867 3.564 314 HH11 ARG 40 HH11 ARG 40 -21.382 10.737 5.119 315 HH12 ARG 40 HH12 ARG 40 -22.984 10.156 5.105 316 HH21 ARG 40 HH21 ARG 40 -22.214 7.068 3.584 317 HH22 ARG 40 HH22 ARG 40 -23.474 8.022 4.219 318 H ALA 41 HN ALA 41 -14.961 9.458 5.393 319 HA ALA 41 HA ALA 41 -14.200 11.457 3.635 320 HB1 ALA 41 HB1 ALA 41 -12.880 10.689 6.220 321 HB2 ALA 41 HB2 ALA 41 -14.284 11.750 6.044 322 HB3 ALA 41 HB3 ALA 41 -12.711 12.246 5.407 323 H ALA 42 HN ALA 42 -12.383 8.688 4.734 324 HA ALA 42 HA ALA 42 -10.122 9.424 3.098 325 HB1 ALA 42 HB1 ALA 42 -9.681 8.456 5.274 326 HB2 ALA 42 HB2 ALA 42 -9.079 7.376 4.015 327 HB3 ALA 42 HB3 ALA 42 -10.599 7.019 4.851 328 H ALA 43 HN ALA 43 -12.876 7.306 3.023 329 HA ALA 43 HA ALA 43 -11.985 5.525 1.022 330 HB1 ALA 43 HB1 ALA 43 -13.905 5.082 2.551 331 HB2 ALA 43 HB2 ALA 43 -14.248 4.776 0.850 332 HB3 ALA 43 HB3 ALA 43 -14.849 6.246 1.612 333 H GLU 44 HN GLU 44 -13.605 8.637 0.852 334 HA GLU 44 HA GLU 44 -14.165 8.519 -1.908 335 HB2 GLU 44 HB2 GLU 44 -13.808 10.909 -0.104 336 HB3 GLU 44 HB1 GLU 44 -14.367 11.002 -1.771 337 HG2 GLU 44 HG2 GLU 44 -15.738 9.583 0.500 338 HG3 GLU 44 HG1 GLU 44 -16.239 11.095 -0.261 339 H PHE 45 HN PHE 45 -11.321 9.500 -0.129 340 HA PHE 45 HA PHE 45 -9.969 10.696 -2.307 341 HB2 PHE 45 HB2 PHE 45 -9.242 11.058 0.025 342 HB3 PHE 45 HB1 PHE 45 -8.837 9.353 0.169 343 HD1 PHE 45 HD2 PHE 45 -7.984 12.408 -1.772 344 HD2 PHE 45 HD1 PHE 45 -6.673 8.636 -0.307 345 HE1 PHE 45 HE2 PHE 45 -5.700 12.898 -2.561 346 HE2 PHE 45 HE1 PHE 45 -4.390 9.120 -1.090 347 HZ PHE 45 HZ PHE 45 -3.904 11.252 -2.220 348 H VAL 46 HN VAL 46 -10.206 7.465 -1.069 349 HA VAL 46 HA VAL 46 -8.364 6.114 -2.682 350 HB VAL 46 HB VAL 46 -11.026 5.094 -1.649 351 HG11 VAL 46 HG11 VAL 46 -8.557 3.583 -2.476 352 HG12 VAL 46 HG12 VAL 46 -10.092 3.611 -3.344 353 HG13 VAL 46 HG13 VAL 46 -9.996 2.870 -1.746 354 HG21 VAL 46 HG21 VAL 46 -9.762 4.264 0.234 355 HG22 VAL 46 HG22 VAL 46 -9.645 6.017 0.112 356 HG23 VAL 46 HG23 VAL 46 -8.298 4.999 -0.406 357 H GLY 47 HN GLY 47 -11.688 7.057 -3.213 358 HA2 GLY 47 HA2 GLY 47 -12.037 5.760 -5.716 359 HA3 GLY 47 HA1 GLY 47 -13.017 7.081 -5.079 360 H SER 48 HN SER 48 -11.268 9.092 -4.788 361 HA SER 48 HA SER 48 -11.083 10.177 -7.345 362 HB2 SER 48 HB2 SER 48 -9.574 11.010 -4.870 363 HB3 SER 48 HB1 SER 48 -9.934 12.013 -6.279 364 HG SER 48 HG SER 48 -12.228 11.132 -5.619 365 H VAL 49 HN VAL 49 -8.593 8.555 -5.388 366 HA VAL 49 HA VAL 49 -6.525 9.234 -7.255 367 HB VAL 49 HB VAL 49 -6.163 8.938 -4.779 368 HG11 VAL 49 HG11 VAL 49 -7.418 6.946 -4.384 369 HG12 VAL 49 HG12 VAL 49 -5.741 6.713 -3.881 370 HG13 VAL 49 HG13 VAL 49 -6.318 6.004 -5.390 371 HG21 VAL 49 HG21 VAL 49 -4.366 7.303 -6.558 372 HG22 VAL 49 HG22 VAL 49 -3.929 7.985 -4.984 373 HG23 VAL 49 HG23 VAL 49 -4.297 9.048 -6.344 374 H ASN 50 HN ASN 50 -8.913 6.954 -7.286 375 HA ASN 50 HA ASN 50 -7.365 5.153 -9.000 376 HB2 ASN 50 HB2 ASN 50 -9.775 4.715 -7.308 377 HB3 ASN 50 HB1 ASN 50 -9.636 3.778 -8.787 378 HD21 ASN 50 HD21 ASN 50 -8.408 4.310 -5.616 379 HD22 ASN 50 HD22 ASN 50 -7.371 2.923 -5.560 380 H GLY 51 HN GLY 51 -10.721 6.337 -8.869 381 HA2 GLY 51 HA2 GLY 51 -11.270 7.693 -10.935 382 HA3 GLY 51 HA1 GLY 51 -10.736 6.246 -11.790 383 H GLY 52 HN GLY 52 -12.200 4.807 -12.236 384 HA2 GLY 52 HA2 GLY 52 -14.903 5.184 -11.263 385 HA3 GLY 52 HA1 GLY 52 -14.384 4.059 -12.506 386 H ASN 53 HN ASN 53 -12.494 2.633 -11.233 387 HA ASN 53 HA ASN 53 -14.154 1.017 -9.455 388 HB2 ASN 53 HB2 ASN 53 -12.991 -0.068 -11.382 389 HB3 ASN 53 HB1 ASN 53 -11.450 0.385 -10.665 390 HD21 ASN 53 HD21 ASN 53 -10.700 -0.774 -8.823 391 HD22 ASN 53 HD22 ASN 53 -11.460 -2.245 -8.348 392 H ARG 54 HN ARG 54 -13.955 1.339 -7.364 393 HA ARG 54 HA ARG 54 -11.693 2.760 -6.283 394 HB2 ARG 54 HB2 ARG 54 -14.237 2.887 -5.528 395 HB3 ARG 54 HB1 ARG 54 -13.807 1.447 -4.606 396 HG2 ARG 54 HG2 ARG 54 -12.173 2.642 -3.371 397 HG3 ARG 54 HG1 ARG 54 -12.435 4.093 -4.343 398 HD2 ARG 54 HD2 ARG 54 -14.414 2.752 -2.499 399 HD3 ARG 54 HD1 ARG 54 -13.640 4.315 -2.266 400 HE ARG 54 HE ARG 54 -15.473 3.816 -4.530 401 HH11 ARG 54 HH11 ARG 54 -14.519 5.874 -1.802 402 HH12 ARG 54 HH12 ARG 54 -15.822 6.954 -2.008 403 HH21 ARG 54 HH21 ARG 54 -17.164 5.363 -4.846 404 HH22 ARG 54 HH22 ARG 54 -17.307 6.695 -3.809 405 H THR 55 HN THR 55 -10.104 1.243 -6.838 406 HA THR 55 HA THR 55 -10.108 -1.442 -5.956 407 HB THR 55 HB THR 55 -7.700 0.258 -6.587 408 HG1 THR 55 HG1 THR 55 -8.517 0.498 -8.472 409 HG21 THR 55 HG21 THR 55 -8.336 -2.670 -6.951 410 HG22 THR 55 HG22 THR 55 -7.239 -1.978 -5.747 411 HG23 THR 55 HG23 THR 55 -6.841 -1.883 -7.463 412 H VAL 56 HN VAL 56 -9.621 -2.170 -3.929 413 HA VAL 56 HA VAL 56 -9.095 -0.158 -1.995 414 HB VAL 56 HB VAL 56 -8.958 -3.038 -1.269 415 HG11 VAL 56 HG11 VAL 56 -8.234 -1.355 0.305 416 HG12 VAL 56 HG12 VAL 56 -9.698 -2.162 0.897 417 HG13 VAL 56 HG13 VAL 56 -9.782 -0.547 0.181 418 HG21 VAL 56 HG21 VAL 56 -11.041 -2.697 -2.529 419 HG22 VAL 56 HG22 VAL 56 -11.404 -1.323 -1.469 420 HG23 VAL 56 HG23 VAL 56 -11.321 -2.968 -0.799 421 HA PRO 57 HA PRO 57 -5.322 -2.459 -1.001 422 HB2 PRO 57 HB2 PRO 57 -3.889 -4.153 -2.547 423 HB3 PRO 57 HB1 PRO 57 -5.275 -4.636 -1.562 424 HG2 PRO 57 HG2 PRO 57 -5.318 -3.804 -4.456 425 HG3 PRO 57 HG1 PRO 57 -5.933 -5.310 -3.742 426 HD2 PRO 57 HD2 PRO 57 -7.599 -3.336 -4.173 427 HD3 PRO 57 HD1 PRO 57 -7.589 -4.304 -2.646 428 H THR 58 HN THR 58 -5.503 -0.231 -2.534 429 HA THR 58 HA THR 58 -3.404 0.244 -4.409 430 HB THR 58 HB THR 58 -5.403 1.939 -2.946 431 HG1 THR 58 HG1 THR 58 -6.644 0.970 -4.372 432 HG21 THR 58 HG21 THR 58 -3.614 2.706 -5.278 433 HG22 THR 58 HG22 THR 58 -3.492 3.326 -3.632 434 HG23 THR 58 HG23 THR 58 -4.897 3.723 -4.619 435 H VAL 59 HN VAL 59 -1.418 0.535 -3.619 436 HA VAL 59 HA VAL 59 -1.118 1.306 -0.845 437 HB VAL 59 HB VAL 59 0.145 -0.685 -1.512 438 HG11 VAL 59 HG11 VAL 59 1.373 1.058 -3.563 439 HG12 VAL 59 HG12 VAL 59 0.324 -0.330 -3.833 440 HG13 VAL 59 HG13 VAL 59 1.945 -0.567 -3.149 441 HG21 VAL 59 HG21 VAL 59 1.982 1.666 -1.114 442 HG22 VAL 59 HG22 VAL 59 2.396 -0.028 -0.848 443 HG23 VAL 59 HG23 VAL 59 1.164 0.751 0.150 444 H LYS 60 HN LYS 60 -0.488 3.208 -0.272 445 HA LYS 60 HA LYS 60 0.266 5.196 -2.300 446 HB2 LYS 60 HB2 LYS 60 -1.743 5.671 -0.945 447 HB3 LYS 60 HB1 LYS 60 -0.805 5.430 0.514 448 HG2 LYS 60 HG2 LYS 60 0.523 7.417 -0.135 449 HG3 LYS 60 HG1 LYS 60 -0.588 7.650 -1.491 450 HD2 LYS 60 HD2 LYS 60 -2.472 7.727 0.082 451 HD3 LYS 60 HD1 LYS 60 -1.351 7.536 1.424 452 HE2 LYS 60 HE2 LYS 60 -0.221 9.586 0.654 453 HE3 LYS 60 HE1 LYS 60 -1.523 9.828 -0.506 454 HZ1 LYS 60 HZ1 LYS 60 -3.102 9.818 1.392 455 HZ2 LYS 60 HZ2 LYS 60 -2.006 11.087 1.465 456 HZ3 LYS 60 HZ3 LYS 60 -1.795 9.737 2.451 457 H PHE 61 HN PHE 61 2.396 5.634 -2.335 458 HA PHE 61 HA PHE 61 3.973 4.728 -0.091 459 HB2 PHE 61 HB2 PHE 61 4.723 5.541 -2.889 460 HB3 PHE 61 HB1 PHE 61 5.953 5.345 -1.626 461 HD1 PHE 61 HD1 PHE 61 6.327 3.110 -0.635 462 HD2 PHE 61 HD2 PHE 61 3.621 3.749 -3.885 463 HE1 PHE 61 HE1 PHE 61 6.260 0.727 -1.058 464 HE2 PHE 61 HE2 PHE 61 3.591 1.323 -4.314 465 HZ PHE 61 HZ PHE 61 4.900 -0.175 -2.912 466 H ALA 62 HN ALA 62 5.774 6.004 0.646 467 HA ALA 62 HA ALA 62 4.942 8.357 1.844 468 HB1 ALA 62 HB1 ALA 62 6.706 6.890 2.706 469 HB2 ALA 62 HB2 ALA 62 7.202 8.580 2.651 470 HB3 ALA 62 HB3 ALA 62 7.783 7.453 1.426 471 H ASP 63 HN ASP 63 6.228 7.950 -1.313 472 HA ASP 63 HA ASP 63 7.193 10.650 -1.569 473 HB2 ASP 63 HB2 ASP 63 7.578 10.169 -3.910 474 HB3 ASP 63 HB1 ASP 63 8.110 8.782 -2.974 475 H GLY 64 HN GLY 64 4.146 9.146 -1.680 476 HA2 GLY 64 HA2 GLY 64 2.227 10.594 -1.562 477 HA3 GLY 64 HA1 GLY 64 2.995 11.623 -2.761 478 H SER 65 HN SER 65 3.796 9.075 -4.271 479 HA SER 65 HA SER 65 1.378 9.013 -5.815 480 HB2 SER 65 HB2 SER 65 3.934 7.470 -6.245 481 HB3 SER 65 HB1 SER 65 2.677 7.812 -7.439 482 HG SER 65 HG SER 65 4.615 9.378 -6.327 483 H THR 66 HN THR 66 0.434 6.969 -6.515 484 HA THR 66 HA THR 66 0.415 5.041 -4.339 485 HB THR 66 HB THR 66 -1.913 4.565 -5.321 486 HG1 THR 66 HG1 THR 66 -2.011 7.204 -6.148 487 HG21 THR 66 HG21 THR 66 -2.945 6.387 -4.019 488 HG22 THR 66 HG22 THR 66 -1.389 7.219 -3.953 489 HG23 THR 66 HG23 THR 66 -1.596 5.662 -3.152 490 H LEU 67 HN LEU 67 -0.337 2.888 -5.146 491 HA LEU 67 HA LEU 67 0.285 2.346 -7.917 492 HB2 LEU 67 HB2 LEU 67 2.332 2.022 -6.400 493 HB3 LEU 67 HB1 LEU 67 1.443 0.732 -5.635 494 HG LEU 67 HG LEU 67 1.423 -0.497 -7.794 495 HD11 LEU 67 HD11 LEU 67 3.032 0.261 -9.524 496 HD12 LEU 67 HD12 LEU 67 3.172 1.803 -8.682 497 HD13 LEU 67 HD13 LEU 67 1.633 1.313 -9.391 498 HD21 LEU 67 HD21 LEU 67 3.770 -1.130 -7.716 499 HD22 LEU 67 HD22 LEU 67 3.137 -0.909 -6.081 500 HD23 LEU 67 HD23 LEU 67 4.142 0.337 -6.820 501 H THR 68 HN THR 68 -1.562 1.487 -8.559 502 HA THR 68 HA THR 68 -3.353 0.245 -6.693 503 HB THR 68 HB THR 68 -3.620 0.961 -9.620 504 HG1 THR 68 HG1 THR 68 -4.963 2.206 -7.496 505 HG21 THR 68 HG21 THR 68 -6.040 0.672 -9.257 506 HG22 THR 68 HG22 THR 68 -5.715 0.112 -7.617 507 HG23 THR 68 HG23 THR 68 -5.167 -0.839 -8.996 508 H ASN 69 HN ASN 69 -3.470 -1.864 -6.392 509 HA ASN 69 HA ASN 69 -3.163 -4.059 -6.501 510 HB2 ASN 69 HB2 ASN 69 -3.921 -3.517 -9.340 511 HB3 ASN 69 HB1 ASN 69 -3.443 -5.142 -8.866 512 HD21 ASN 69 HD21 ASN 69 -5.965 -4.190 -9.835 513 HD22 ASN 69 HD22 ASN 69 -7.130 -4.586 -8.630 514 HA PRO 70 HA PRO 70 1.161 -4.167 -7.962 515 HB2 PRO 70 HB2 PRO 70 2.502 -3.727 -5.765 516 HB3 PRO 70 HB1 PRO 70 1.688 -2.371 -6.568 517 HG2 PRO 70 HG2 PRO 70 0.750 -3.993 -4.224 518 HG3 PRO 70 HG1 PRO 70 0.829 -2.225 -4.377 519 HD2 PRO 70 HD2 PRO 70 -1.458 -3.654 -4.848 520 HD3 PRO 70 HD1 PRO 70 -1.046 -2.119 -5.648 521 H SER 71 HN SER 71 2.961 -5.498 -6.824 522 HA SER 71 HA SER 71 1.941 -7.845 -5.406 523 HB2 SER 71 HB2 SER 71 4.159 -7.781 -7.483 524 HB3 SER 71 HB1 SER 71 3.480 -9.208 -6.699 525 HG SER 71 HG SER 71 1.967 -7.423 -8.278 526 H ALA 72 HN ALA 72 3.891 -8.858 -4.151 527 HA ALA 72 HA ALA 72 4.933 -6.997 -2.405 528 HB1 ALA 72 HB1 ALA 72 6.113 -9.712 -3.000 529 HB2 ALA 72 HB2 ALA 72 4.748 -9.407 -1.928 530 HB3 ALA 72 HB3 ALA 72 6.344 -8.766 -1.531 531 H ASP 73 HN ASP 73 6.580 -8.457 -5.180 532 HA ASP 73 HA ASP 73 9.045 -7.175 -4.733 533 HB2 ASP 73 HB2 ASP 73 9.710 -7.865 -6.967 534 HB3 ASP 73 HB1 ASP 73 8.813 -9.165 -6.207 535 H GLU 74 HN GLU 74 6.222 -6.162 -6.515 536 HA GLU 74 HA GLU 74 7.255 -3.854 -7.793 537 HB2 GLU 74 HB2 GLU 74 4.491 -4.546 -6.835 538 HB3 GLU 74 HB1 GLU 74 4.846 -3.066 -7.709 539 HG2 GLU 74 HG2 GLU 74 5.317 -5.841 -8.751 540 HG3 GLU 74 HG1 GLU 74 3.915 -4.834 -9.122 541 H VAL 75 HN VAL 75 5.776 -4.372 -4.681 542 HA VAL 75 HA VAL 75 5.656 -1.677 -3.876 543 HB VAL 75 HB VAL 75 5.626 -4.230 -2.239 544 HG11 VAL 75 HG11 VAL 75 6.273 -2.306 -0.834 545 HG12 VAL 75 HG12 VAL 75 4.682 -2.932 -0.415 546 HG13 VAL 75 HG13 VAL 75 4.817 -1.451 -1.354 547 HG21 VAL 75 HG21 VAL 75 3.203 -3.867 -2.190 548 HG22 VAL 75 HG22 VAL 75 3.811 -4.044 -3.831 549 HG23 VAL 75 HG23 VAL 75 3.406 -2.446 -3.211 550 H LYS 76 HN LYS 76 7.888 -4.306 -3.156 551 HA LYS 76 HA LYS 76 9.553 -2.817 -1.511 552 HB2 LYS 76 HB2 LYS 76 9.603 -5.211 -1.376 553 HB3 LYS 76 HB1 LYS 76 10.106 -5.358 -3.057 554 HG2 LYS 76 HG2 LYS 76 12.197 -4.671 -2.637 555 HG3 LYS 76 HG1 LYS 76 11.825 -3.895 -1.077 556 HD2 LYS 76 HD2 LYS 76 11.397 -6.281 -0.264 557 HD3 LYS 76 HD1 LYS 76 12.104 -6.819 -1.796 558 HE2 LYS 76 HE2 LYS 76 14.141 -5.584 -1.306 559 HE3 LYS 76 HE1 LYS 76 13.449 -5.009 0.202 560 HZ1 LYS 76 HZ1 LYS 76 14.143 -7.812 -0.476 561 HZ2 LYS 76 HZ2 LYS 76 13.366 -7.347 0.951 562 HZ3 LYS 76 HZ3 LYS 76 14.921 -6.778 0.607 563 H ALA 77 HN ALA 77 9.470 -3.061 -4.974 564 HA ALA 77 HA ALA 77 12.030 -1.903 -5.472 565 HB1 ALA 77 HB1 ALA 77 11.267 -1.674 -7.766 566 HB2 ALA 77 HB2 ALA 77 9.605 -1.989 -7.267 567 HB3 ALA 77 HB3 ALA 77 10.820 -3.258 -7.134 568 H LYS 78 HN LYS 78 8.912 -0.499 -4.775 569 HA LYS 78 HA LYS 78 9.923 2.196 -5.354 570 HB2 LYS 78 HB2 LYS 78 7.333 1.177 -4.199 571 HB3 LYS 78 HB1 LYS 78 7.764 2.862 -4.051 572 HG2 LYS 78 HG2 LYS 78 7.387 1.358 -6.646 573 HG3 LYS 78 HG1 LYS 78 6.220 2.459 -5.898 574 HD2 LYS 78 HD2 LYS 78 8.958 3.171 -6.955 575 HD3 LYS 78 HD1 LYS 78 7.426 3.560 -7.703 576 HE2 LYS 78 HE2 LYS 78 8.266 4.600 -4.972 577 HE3 LYS 78 HE1 LYS 78 8.436 5.488 -6.473 578 HZ1 LYS 78 HZ1 LYS 78 5.785 4.559 -5.445 579 HZ2 LYS 78 HZ2 LYS 78 6.095 5.593 -6.727 580 HZ3 LYS 78 HZ3 LYS 78 6.440 6.090 -5.166 581 H LEU 79 HN LEU 79 9.408 0.093 -2.662 582 HA LEU 79 HA LEU 79 9.730 1.834 -0.568 583 HB2 LEU 79 HB2 LEU 79 9.155 -0.664 -0.455 584 HB3 LEU 79 HB1 LEU 79 10.853 -0.954 -0.684 585 HG LEU 79 HG LEU 79 11.263 0.302 1.436 586 HD11 LEU 79 HD11 LEU 79 8.276 0.107 1.650 587 HD12 LEU 79 HD12 LEU 79 9.278 1.563 1.798 588 HD13 LEU 79 HD13 LEU 79 9.341 0.308 3.025 589 HD21 LEU 79 HD21 LEU 79 11.372 -2.119 1.320 590 HD22 LEU 79 HD22 LEU 79 9.629 -2.226 1.559 591 HD23 LEU 79 HD23 LEU 79 10.660 -1.613 2.852 592 H VAL 80 HN VAL 80 12.159 -0.036 -2.290 593 HA VAL 80 HA VAL 80 14.386 0.776 -0.849 594 HB VAL 80 HB VAL 80 15.739 0.015 -2.835 595 HG11 VAL 80 HG11 VAL 80 14.973 -2.299 -2.702 596 HG12 VAL 80 HG12 VAL 80 13.549 -1.713 -1.794 597 HG13 VAL 80 HG13 VAL 80 15.165 -1.518 -1.131 598 HG21 VAL 80 HG21 VAL 80 14.231 0.662 -4.614 599 HG22 VAL 80 HG22 VAL 80 13.011 -0.438 -3.993 600 HG23 VAL 80 HG23 VAL 80 14.517 -1.085 -4.660 601 H LYS 81 HN LYS 81 12.848 2.403 -3.517 602 HA LYS 81 HA LYS 81 15.106 4.149 -3.686 603 HB2 LYS 81 HB2 LYS 81 14.031 5.287 -5.517 604 HB3 LYS 81 HB1 LYS 81 13.868 3.545 -5.703 605 HG2 LYS 81 HG2 LYS 81 11.621 3.587 -5.086 606 HG3 LYS 81 HG1 LYS 81 11.712 5.281 -4.621 607 HD2 LYS 81 HD2 LYS 81 10.681 5.310 -6.774 608 HD3 LYS 81 HD1 LYS 81 12.338 5.792 -7.012 609 HE2 LYS 81 HE2 LYS 81 11.438 2.949 -7.430 610 HE3 LYS 81 HE1 LYS 81 11.385 4.151 -8.701 611 HZ1 LYS 81 HZ1 LYS 81 13.354 2.838 -8.882 612 HZ2 LYS 81 HZ2 LYS 81 13.862 3.168 -7.334 613 HZ3 LYS 81 HZ3 LYS 81 13.805 4.400 -8.490 614 H ILE 82 HN ILE 82 11.838 4.326 -2.386 615 HA ILE 82 HA ILE 82 12.138 7.110 -1.844 616 HB ILE 82 HB ILE 82 9.903 7.029 -0.761 617 HG12 ILE 82 HG12 ILE 82 8.524 4.877 -1.171 618 HG13 ILE 82 HG11 ILE 82 10.067 4.059 -1.338 619 HG21 ILE 82 HG21 ILE 82 8.616 6.534 -2.773 620 HG22 ILE 82 HG22 ILE 82 10.009 5.707 -3.455 621 HG23 ILE 82 HG23 ILE 82 10.087 7.446 -3.133 622 HD11 ILE 82 HD11 ILE 82 9.077 5.491 1.113 623 HD12 ILE 82 HD12 ILE 82 10.624 4.665 0.962 624 HD13 ILE 82 HD13 ILE 82 9.119 3.745 0.867 625 H ALA 83 HN ALA 83 12.895 4.279 -0.133 626 HA ALA 83 HA ALA 83 13.007 5.611 2.431 627 HB1 ALA 83 HB1 ALA 83 12.343 3.248 2.313 628 HB2 ALA 83 HB2 ALA 83 13.804 3.464 3.285 629 HB3 ALA 83 HB3 ALA 83 13.922 2.846 1.642 630 H GLY 84 HN GLY 84 14.826 5.868 -0.178 631 HA2 GLY 84 HA2 GLY 84 16.863 6.906 -0.452 632 HA3 GLY 84 HA1 GLY 84 17.052 6.898 1.295 633 H LEU 85 HN LEU 85 18.350 5.447 2.199 634 HA LEU 85 HA LEU 85 19.264 3.221 0.534 635 HB2 LEU 85 HB2 LEU 85 21.542 3.425 1.346 636 HB3 LEU 85 HB1 LEU 85 21.054 4.892 0.540 637 HG LEU 85 HG LEU 85 21.150 4.612 3.560 638 HD11 LEU 85 HD11 LEU 85 23.214 5.734 1.673 639 HD12 LEU 85 HD12 LEU 85 23.367 4.250 2.613 640 HD13 LEU 85 HD13 LEU 85 23.277 5.809 3.434 641 HD21 LEU 85 HD21 LEU 85 19.743 6.455 2.714 642 HD22 LEU 85 HD22 LEU 85 21.100 7.049 1.765 643 HD23 LEU 85 HD23 LEU 85 21.186 7.057 3.527 644 H GLU 86 HN GLU 86 17.584 3.975 3.149 645 HA GLU 86 HA GLU 86 18.715 1.904 4.860 646 HB2 GLU 86 HB2 GLU 86 17.858 4.275 5.624 647 HB3 GLU 86 HB1 GLU 86 16.269 3.551 5.498 648 HG2 GLU 86 HG2 GLU 86 18.518 2.675 7.312 649 HG3 GLU 86 HG1 GLU 86 17.056 3.525 7.791 650 H HIS 87 HN HIS 87 18.203 0.098 3.651 651 HA HIS 87 HA HIS 87 15.576 -0.951 3.857 652 HB2 HIS 87 HB2 HIS 87 15.176 -1.309 1.447 653 HB3 HIS 87 HB1 HIS 87 15.244 0.411 1.800 654 HD1 HIS 87 HD1 HIS 87 17.306 -2.349 0.097 655 HD2 HIS 87 HD2 HIS 87 17.187 1.810 0.452 656 HE1 HIS 87 HE1 HIS 87 18.924 -1.454 -1.583 657 H HIS 88 HN HIS 88 15.616 -3.150 2.622 658 HA HIS 88 HA HIS 88 18.324 -4.209 2.653 659 HB2 HIS 88 HB2 HIS 88 15.827 -5.499 3.818 660 HB3 HIS 88 HB1 HIS 88 17.336 -6.360 3.542 661 HD1 HIS 88 HD1 HIS 88 19.135 -6.131 5.317 662 HD2 HIS 88 HD2 HIS 88 15.977 -3.496 5.870 663 HE1 HIS 88 HE1 HIS 88 19.516 -5.044 7.561 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -2.997 4.549 12.085 2 H2 MET 1 HT2 MET 1 -1.730 3.571 12.562 3 H3 MET 1 HT3 MET 1 -1.507 4.597 11.276 4 HA MET 1 HA MET 1 -1.848 6.491 12.796 5 HB2 MET 1 HB2 MET 1 -3.247 5.308 14.446 6 HB3 MET 1 HB1 MET 1 -1.888 4.300 14.898 7 HG2 MET 1 HG2 MET 1 -1.738 7.273 15.221 8 HG3 MET 1 HG1 MET 1 -2.582 6.289 16.410 9 HE1 MET 1 HE1 MET 1 -0.936 7.380 18.237 10 HE2 MET 1 HE2 MET 1 -0.072 8.267 16.982 11 HE3 MET 1 HE3 MET 1 0.823 7.289 18.147 12 H VAL 2 HN VAL 2 0.140 3.629 13.743 13 HA VAL 2 HA VAL 2 2.473 5.170 14.160 14 HB VAL 2 HB VAL 2 2.261 2.249 13.330 15 HG11 VAL 2 HG11 VAL 2 4.490 3.118 12.968 16 HG12 VAL 2 HG12 VAL 2 4.498 2.022 14.353 17 HG13 VAL 2 HG13 VAL 2 4.528 3.770 14.604 18 HG21 VAL 2 HG21 VAL 2 2.453 3.446 16.094 19 HG22 VAL 2 HG22 VAL 2 2.490 1.723 15.720 20 HG23 VAL 2 HG23 VAL 2 1.034 2.663 15.400 21 H THR 3 HN THR 3 3.534 6.281 12.623 22 HA THR 3 HA THR 3 2.687 5.907 9.941 23 HB THR 3 HB THR 3 4.838 7.801 10.869 24 HG1 THR 3 HG1 THR 3 2.229 7.637 11.612 25 HG21 THR 3 HG21 THR 3 2.726 7.980 8.704 26 HG22 THR 3 HG22 THR 3 4.401 7.527 8.432 27 HG23 THR 3 HG23 THR 3 4.012 9.151 9.012 28 H ALA 4 HN ALA 4 3.426 4.018 9.265 29 HA ALA 4 HA ALA 4 6.256 3.388 9.168 30 HB1 ALA 4 HB1 ALA 4 3.864 1.970 7.966 31 HB2 ALA 4 HB2 ALA 4 4.620 1.577 9.508 32 HB3 ALA 4 HB3 ALA 4 5.515 1.352 8.006 33 H ALA 5 HN ALA 5 7.009 2.647 6.901 34 HA ALA 5 HA ALA 5 7.028 4.955 5.281 35 HB1 ALA 5 HB1 ALA 5 8.925 3.461 5.447 36 HB2 ALA 5 HB2 ALA 5 8.416 3.629 3.761 37 HB3 ALA 5 HB3 ALA 5 7.991 2.178 4.688 38 H LEU 6 HN LEU 6 4.961 2.204 5.315 39 HA LEU 6 HA LEU 6 3.933 2.937 2.655 40 HB2 LEU 6 HB2 LEU 6 3.516 0.313 4.069 41 HB3 LEU 6 HB1 LEU 6 3.056 0.757 2.439 42 HG LEU 6 HG LEU 6 5.873 0.427 3.405 43 HD11 LEU 6 HD11 LEU 6 4.674 -1.674 3.283 44 HD12 LEU 6 HD12 LEU 6 5.828 -1.543 1.956 45 HD13 LEU 6 HD13 LEU 6 4.110 -1.278 1.662 46 HD21 LEU 6 HD21 LEU 6 4.720 0.957 0.690 47 HD22 LEU 6 HD22 LEU 6 6.423 0.620 1.073 48 HD23 LEU 6 HD23 LEU 6 5.652 2.093 1.679 49 H THR 7 HN THR 7 2.085 3.943 2.704 50 HA THR 7 HA THR 7 0.260 3.476 4.933 51 HB THR 7 HB THR 7 0.171 5.594 2.756 52 HG1 THR 7 HG1 THR 7 1.509 5.401 5.203 53 HG21 THR 7 HG21 THR 7 -1.972 5.167 3.932 54 HG22 THR 7 HG22 THR 7 -1.327 6.760 4.321 55 HG23 THR 7 HG23 THR 7 -1.166 5.439 5.476 56 H ILE 8 HN ILE 8 -1.098 1.830 4.456 57 HA ILE 8 HA ILE 8 -1.781 1.452 1.636 58 HB ILE 8 HB ILE 8 -1.651 -0.649 3.821 59 HG12 ILE 8 HG12 ILE 8 -0.009 -0.222 1.314 60 HG13 ILE 8 HG11 ILE 8 0.537 0.017 2.971 61 HG21 ILE 8 HG21 ILE 8 -3.502 -1.049 2.322 62 HG22 ILE 8 HG22 ILE 8 -2.264 -2.293 2.116 63 HG23 ILE 8 HG23 ILE 8 -2.448 -1.024 0.906 64 HD11 ILE 8 HD11 ILE 8 1.387 -2.061 2.047 65 HD12 ILE 8 HD12 ILE 8 -0.262 -2.600 1.720 66 HD13 ILE 8 HD13 ILE 8 0.279 -2.381 3.382 67 H TYR 9 HN TYR 9 -3.748 1.442 0.997 68 HA TYR 9 HA TYR 9 -5.868 2.034 2.892 69 HB2 TYR 9 HB2 TYR 9 -5.648 2.182 -0.110 70 HB3 TYR 9 HB1 TYR 9 -7.092 2.657 0.742 71 HD1 TYR 9 HD1 TYR 9 -7.035 4.713 2.178 72 HD2 TYR 9 HD2 TYR 9 -3.718 3.572 -0.227 73 HE1 TYR 9 HE1 TYR 9 -6.082 6.969 2.416 74 HE2 TYR 9 HE2 TYR 9 -2.767 5.816 0.009 75 HH TYR 9 HH TYR 9 -3.546 8.089 0.495 76 H THR 10 HN THR 10 -6.752 0.168 3.708 77 HA THR 10 HA THR 10 -7.633 -1.839 1.800 78 HB THR 10 HB THR 10 -7.147 -3.509 3.735 79 HG1 THR 10 HG1 THR 10 -6.274 -2.464 5.403 80 HG21 THR 10 HG21 THR 10 -6.047 -3.544 1.537 81 HG22 THR 10 HG22 THR 10 -4.902 -3.938 2.829 82 HG23 THR 10 HG23 THR 10 -4.905 -2.333 2.102 83 H THR 11 HN THR 11 -9.439 -3.188 2.594 84 HA THR 11 HA THR 11 -10.899 -2.090 4.861 85 HB THR 11 HB THR 11 -13.000 -2.542 3.548 86 HG1 THR 11 HG1 THR 11 -12.470 -2.363 1.144 87 HG21 THR 11 HG21 THR 11 -11.225 -0.450 2.285 88 HG22 THR 11 HG22 THR 11 -12.112 -0.253 3.793 89 HG23 THR 11 HG23 THR 11 -12.994 -0.497 2.280 90 H SER 12 HN SER 12 -12.707 -3.724 5.354 91 HA SER 12 HA SER 12 -11.601 -6.407 5.379 92 HB2 SER 12 HB2 SER 12 -12.664 -5.427 7.405 93 HB3 SER 12 HB1 SER 12 -14.181 -5.289 6.526 94 HG SER 12 HG SER 12 -12.842 -7.591 7.437 95 H TRP 13 HN TRP 13 -13.343 -4.600 3.255 96 HA TRP 13 HA TRP 13 -15.409 -6.418 2.502 97 HB2 TRP 13 HB2 TRP 13 -14.334 -4.041 0.990 98 HB3 TRP 13 HB1 TRP 13 -15.826 -4.909 0.653 99 HD1 TRP 13 HD1 TRP 13 -16.829 -5.052 3.723 100 HE1 TRP 13 HE1 TRP 13 -17.761 -2.904 4.790 101 HE3 TRP 13 HE3 TRP 13 -14.724 -1.611 0.611 102 HZ2 TRP 13 HZ2 TRP 13 -17.631 -0.136 4.372 103 HZ3 TRP 13 HZ3 TRP 13 -15.178 0.769 1.011 104 HH2 TRP 13 HH2 TRP 13 -16.604 1.489 2.856 105 H CYS 14 HN CYS 14 -12.142 -5.856 1.466 106 HA CYS 14 HA CYS 14 -12.567 -7.407 -0.945 107 HB2 CYS 14 HB2 CYS 14 -10.146 -6.784 -1.348 108 HB3 CYS 14 HB1 CYS 14 -11.305 -5.456 -1.341 109 H GLY 15 HN GLY 15 -10.924 -9.071 -1.496 110 HA2 GLY 15 HA2 GLY 15 -10.191 -10.608 0.899 111 HA3 GLY 15 HA1 GLY 15 -10.603 -11.325 -0.652 112 H TYR 16 HN TYR 16 -9.122 -9.665 -2.363 113 HA TYR 16 HA TYR 16 -6.632 -10.926 -2.185 114 HB2 TYR 16 HB2 TYR 16 -7.508 -10.311 -4.365 115 HB3 TYR 16 HB1 TYR 16 -7.451 -8.602 -3.950 116 HD1 TYR 16 HD2 TYR 16 -5.313 -11.582 -4.556 117 HD2 TYR 16 HD1 TYR 16 -5.498 -7.356 -4.297 118 HE1 TYR 16 HE2 TYR 16 -3.015 -11.439 -5.416 119 HE2 TYR 16 HE1 TYR 16 -3.216 -7.174 -5.137 120 HH TYR 16 HH TYR 16 -1.166 -8.562 -5.301 121 H CYS 17 HN CYS 17 -7.686 -7.913 -0.912 122 HA CYS 17 HA CYS 17 -5.265 -6.644 -0.564 123 HB2 CYS 17 HB2 CYS 17 -6.412 -5.834 1.647 124 HB3 CYS 17 HB1 CYS 17 -7.020 -5.247 0.107 125 H LEU 18 HN LEU 18 -6.789 -9.195 1.391 126 HA LEU 18 HA LEU 18 -4.783 -9.150 3.419 127 HB2 LEU 18 HB2 LEU 18 -6.911 -11.177 2.800 128 HB3 LEU 18 HB1 LEU 18 -5.806 -11.319 4.152 129 HG LEU 18 HG LEU 18 -6.764 -9.027 4.891 130 HD11 LEU 18 HD11 LEU 18 -9.066 -8.607 4.258 131 HD12 LEU 18 HD12 LEU 18 -8.980 -9.908 3.070 132 HD13 LEU 18 HD13 LEU 18 -7.973 -8.472 2.882 133 HD21 LEU 18 HD21 LEU 18 -7.096 -11.068 6.086 134 HD22 LEU 18 HD22 LEU 18 -8.428 -11.515 5.014 135 HD23 LEU 18 HD23 LEU 18 -8.580 -10.115 6.082 136 H ARG 19 HN ARG 19 -5.094 -10.657 0.398 137 HA ARG 19 HA ARG 19 -3.232 -12.794 0.819 138 HB2 ARG 19 HB2 ARG 19 -3.923 -11.463 -1.808 139 HB3 ARG 19 HB1 ARG 19 -3.315 -13.094 -1.565 140 HG2 ARG 19 HG2 ARG 19 -6.017 -12.099 -0.679 141 HG3 ARG 19 HG1 ARG 19 -5.700 -13.047 -2.136 142 HD2 ARG 19 HD2 ARG 19 -5.130 -13.941 0.681 143 HD3 ARG 19 HD1 ARG 19 -6.587 -14.345 -0.222 144 HE ARG 19 HE ARG 19 -4.273 -15.045 -1.679 145 HH11 ARG 19 HH11 ARG 19 -6.230 -16.095 1.059 146 HH12 ARG 19 HH12 ARG 19 -5.794 -17.740 0.913 147 HH21 ARG 19 HH21 ARG 19 -3.712 -17.270 -1.905 148 HH22 ARG 19 HH22 ARG 19 -4.338 -18.426 -0.796 149 H LEU 20 HN LEU 20 -3.093 -9.479 -0.267 150 HA LEU 20 HA LEU 20 -0.340 -9.556 -0.917 151 HB2 LEU 20 HB2 LEU 20 -1.788 -7.902 -1.963 152 HB3 LEU 20 HB1 LEU 20 -2.227 -7.250 -0.406 153 HG LEU 20 HG LEU 20 0.251 -6.562 -0.210 154 HD11 LEU 20 HD11 LEU 20 1.291 -6.000 -2.389 155 HD12 LEU 20 HD12 LEU 20 0.187 -7.110 -3.180 156 HD13 LEU 20 HD13 LEU 20 1.361 -7.695 -1.990 157 HD21 LEU 20 HD21 LEU 20 -0.176 -4.485 -1.468 158 HD22 LEU 20 HD22 LEU 20 -1.513 -4.973 -0.428 159 HD23 LEU 20 HD23 LEU 20 -1.612 -5.245 -2.167 160 H LYS 21 HN LYS 21 -2.284 -8.606 1.841 161 HA LYS 21 HA LYS 21 -0.395 -7.484 3.530 162 HB2 LYS 21 HB2 LYS 21 -2.845 -9.107 4.155 163 HB3 LYS 21 HB1 LYS 21 -1.836 -8.393 5.402 164 HG2 LYS 21 HG2 LYS 21 -2.313 -6.177 4.628 165 HG3 LYS 21 HG1 LYS 21 -3.144 -6.803 3.206 166 HD2 LYS 21 HD2 LYS 21 -4.668 -5.999 4.986 167 HD3 LYS 21 HD1 LYS 21 -4.950 -7.684 4.593 168 HE2 LYS 21 HE2 LYS 21 -5.030 -7.461 6.971 169 HE3 LYS 21 HE1 LYS 21 -3.540 -8.286 6.577 170 HZ1 LYS 21 HZ1 LYS 21 -2.346 -6.186 6.839 171 HZ2 LYS 21 HZ2 LYS 21 -3.182 -6.623 8.227 172 HZ3 LYS 21 HZ3 LYS 21 -3.795 -5.399 7.257 173 H THR 22 HN THR 22 -1.233 -10.939 3.166 174 HA THR 22 HA THR 22 0.560 -11.762 5.152 175 HB THR 22 HB THR 22 0.336 -14.028 3.907 176 HG1 THR 22 HG1 THR 22 -1.997 -13.399 2.804 177 HG21 THR 22 HG21 THR 22 -1.884 -14.377 4.871 178 HG22 THR 22 HG22 THR 22 -2.105 -12.630 4.988 179 HG23 THR 22 HG23 THR 22 -0.870 -13.429 5.962 180 H ALA 23 HN ALA 23 0.890 -11.371 1.681 181 HA ALA 23 HA ALA 23 3.483 -12.462 1.397 182 HB1 ALA 23 HB1 ALA 23 1.992 -11.945 -0.513 183 HB2 ALA 23 HB2 ALA 23 3.587 -11.210 -0.687 184 HB3 ALA 23 HB3 ALA 23 2.212 -10.226 -0.185 185 H LEU 24 HN LEU 24 2.472 -9.121 1.967 186 HA LEU 24 HA LEU 24 5.104 -8.096 2.092 187 HB2 LEU 24 HB2 LEU 24 2.601 -6.989 3.357 188 HB3 LEU 24 HB1 LEU 24 4.100 -6.110 3.153 189 HG LEU 24 HG LEU 24 2.279 -7.090 0.966 190 HD11 LEU 24 HD11 LEU 24 1.954 -4.711 0.504 191 HD12 LEU 24 HD12 LEU 24 2.949 -4.309 1.901 192 HD13 LEU 24 HD13 LEU 24 1.415 -5.153 2.123 193 HD21 LEU 24 HD21 LEU 24 3.766 -5.890 -0.577 194 HD22 LEU 24 HD22 LEU 24 4.579 -7.237 0.213 195 HD23 LEU 24 HD23 LEU 24 4.882 -5.583 0.752 196 H THR 25 HN THR 25 2.945 -9.292 4.601 197 HA THR 25 HA THR 25 4.627 -8.574 6.757 198 HB THR 25 HB THR 25 2.458 -10.688 6.627 199 HG1 THR 25 HG1 THR 25 1.498 -8.823 6.194 200 HG21 THR 25 HG21 THR 25 2.305 -10.382 9.070 201 HG22 THR 25 HG22 THR 25 3.667 -9.263 9.017 202 HG23 THR 25 HG23 THR 25 3.905 -10.962 8.608 203 H ALA 26 HN ALA 26 4.349 -11.524 4.815 204 HA ALA 26 HA ALA 26 6.185 -13.068 6.334 205 HB1 ALA 26 HB1 ALA 26 6.204 -14.570 4.415 206 HB2 ALA 26 HB2 ALA 26 5.412 -13.335 3.436 207 HB3 ALA 26 HB3 ALA 26 4.558 -14.061 4.797 208 H ASN 27 HN ASN 27 6.506 -10.696 3.903 209 HA ASN 27 HA ASN 27 9.320 -11.277 3.550 210 HB2 ASN 27 HB2 ASN 27 7.327 -9.611 2.144 211 HB3 ASN 27 HB1 ASN 27 9.055 -9.238 1.883 212 HD21 ASN 27 HD21 ASN 27 6.412 -11.355 1.274 213 HD22 ASN 27 HD22 ASN 27 7.208 -12.425 0.184 214 H ARG 28 HN ARG 28 7.751 -9.954 5.875 215 HA ARG 28 HA ARG 28 8.179 -8.585 7.599 216 HB2 ARG 28 HB2 ARG 28 10.997 -8.575 6.509 217 HB3 ARG 28 HB1 ARG 28 10.520 -8.027 8.106 218 HG2 ARG 28 HG2 ARG 28 9.727 -10.316 8.612 219 HG3 ARG 28 HG1 ARG 28 10.328 -10.836 7.037 220 HD2 ARG 28 HD2 ARG 28 12.589 -10.054 7.697 221 HD3 ARG 28 HD1 ARG 28 11.938 -9.665 9.288 222 HE ARG 28 HE ARG 28 11.579 -12.373 8.369 223 HH11 ARG 28 HH11 ARG 28 13.438 -10.168 10.416 224 HH12 ARG 28 HH12 ARG 28 14.201 -11.418 11.296 225 HH21 ARG 28 HH21 ARG 28 12.655 -14.083 9.553 226 HH22 ARG 28 HH22 ARG 28 13.746 -13.681 10.791 227 H ILE 29 HN ILE 29 7.264 -7.350 5.160 228 HA ILE 29 HA ILE 29 8.604 -4.775 5.125 229 HB ILE 29 HB ILE 29 6.207 -5.771 3.520 230 HG12 ILE 29 HG12 ILE 29 9.114 -5.468 2.704 231 HG13 ILE 29 HG11 ILE 29 8.321 -6.996 3.054 232 HG21 ILE 29 HG21 ILE 29 6.630 -3.826 2.090 233 HG22 ILE 29 HG22 ILE 29 7.919 -3.306 3.182 234 HG23 ILE 29 HG23 ILE 29 6.248 -3.340 3.742 235 HD11 ILE 29 HD11 ILE 29 8.527 -6.611 0.665 236 HD12 ILE 29 HD12 ILE 29 7.609 -5.112 0.814 237 HD13 ILE 29 HD13 ILE 29 6.835 -6.659 1.154 238 H ALA 30 HN ALA 30 7.935 -3.101 6.312 239 HA ALA 30 HA ALA 30 5.648 -3.464 8.050 240 HB1 ALA 30 HB1 ALA 30 6.512 -1.538 9.254 241 HB2 ALA 30 HB2 ALA 30 7.689 -1.244 7.982 242 HB3 ALA 30 HB3 ALA 30 7.808 -2.702 8.965 243 H TYR 31 HN TYR 31 3.770 -2.446 7.863 244 HA TYR 31 HA TYR 31 3.538 -0.097 6.183 245 HB2 TYR 31 HB2 TYR 31 1.666 -1.017 4.897 246 HB3 TYR 31 HB1 TYR 31 3.109 -1.977 4.643 247 HD1 TYR 31 HD2 TYR 31 3.232 -4.287 5.475 248 HD2 TYR 31 HD1 TYR 31 -0.267 -1.929 6.062 249 HE1 TYR 31 HE2 TYR 31 1.954 -6.312 6.050 250 HE2 TYR 31 HE1 TYR 31 -1.537 -3.949 6.634 251 HH TYR 31 HH TYR 31 -0.075 -6.875 7.350 252 H ASP 32 HN ASP 32 1.527 1.039 6.555 253 HA ASP 32 HA ASP 32 0.068 0.161 8.940 254 HB2 ASP 32 HB2 ASP 32 1.633 2.057 9.453 255 HB3 ASP 32 HB1 ASP 32 0.806 3.021 8.237 256 H GLU 33 HN GLU 33 -2.065 -0.001 8.536 257 HA GLU 33 HA GLU 33 -2.899 0.927 5.924 258 HB2 GLU 33 HB2 GLU 33 -4.775 -0.657 6.154 259 HB3 GLU 33 HB1 GLU 33 -3.199 -1.399 6.257 260 HG2 GLU 33 HG2 GLU 33 -3.419 -1.498 8.705 261 HG3 GLU 33 HG1 GLU 33 -5.054 -0.842 8.552 262 H VAL 34 HN VAL 34 -4.768 1.997 5.588 263 HA VAL 34 HA VAL 34 -5.330 3.993 7.623 264 HB VAL 34 HB VAL 34 -6.510 3.799 4.832 265 HG11 VAL 34 HG11 VAL 34 -6.827 6.211 5.014 266 HG12 VAL 34 HG12 VAL 34 -6.164 6.182 6.649 267 HG13 VAL 34 HG13 VAL 34 -7.682 5.355 6.301 268 HG21 VAL 34 HG21 VAL 34 -4.730 5.317 4.117 269 HG22 VAL 34 HG22 VAL 34 -4.085 3.778 4.685 270 HG23 VAL 34 HG23 VAL 34 -4.001 5.203 5.719 271 H ASP 35 HN ASP 35 -7.336 4.640 8.276 272 HA ASP 35 HA ASP 35 -8.949 2.554 9.302 273 HB2 ASP 35 HB2 ASP 35 -9.993 4.302 10.609 274 HB3 ASP 35 HB1 ASP 35 -8.242 4.448 10.665 275 H ILE 36 HN ILE 36 -9.139 3.795 6.369 276 HA ILE 36 HA ILE 36 -11.476 5.115 5.789 277 HB ILE 36 HB ILE 36 -11.495 4.123 3.549 278 HG12 ILE 36 HG12 ILE 36 -9.217 2.388 4.470 279 HG13 ILE 36 HG11 ILE 36 -10.878 1.807 4.359 280 HG21 ILE 36 HG21 ILE 36 -9.962 5.934 4.026 281 HG22 ILE 36 HG22 ILE 36 -9.248 4.805 2.880 282 HG23 ILE 36 HG23 ILE 36 -8.742 4.782 4.569 283 HD11 ILE 36 HD11 ILE 36 -9.322 2.970 2.093 284 HD12 ILE 36 HD12 ILE 36 -10.902 2.184 2.004 285 HD13 ILE 36 HD13 ILE 36 -9.465 1.237 2.411 286 H GLU 37 HN GLU 37 -11.357 1.723 6.664 287 HA GLU 37 HA GLU 37 -13.750 0.698 5.702 288 HB2 GLU 37 HB2 GLU 37 -12.044 -0.582 6.909 289 HB3 GLU 37 HB1 GLU 37 -12.395 0.303 8.383 290 HG2 GLU 37 HG2 GLU 37 -13.317 -1.891 8.471 291 HG3 GLU 37 HG1 GLU 37 -14.622 -0.710 8.413 292 H HIS 38 HN HIS 38 -13.118 2.785 8.451 293 HA HIS 38 HA HIS 38 -16.013 3.114 8.797 294 HB2 HIS 38 HB2 HIS 38 -13.843 3.147 10.886 295 HB3 HIS 38 HB1 HIS 38 -15.481 3.704 11.185 296 HD1 HIS 38 HD1 HIS 38 -17.362 1.829 11.282 297 HD2 HIS 38 HD2 HIS 38 -13.477 0.423 10.832 298 HE1 HIS 38 HE1 HIS 38 -17.446 -0.628 11.802 299 H ASN 39 HN ASN 39 -13.933 4.602 7.177 300 HA ASN 39 HA ASN 39 -14.731 7.243 8.140 301 HB2 ASN 39 HB2 ASN 39 -12.440 6.945 8.951 302 HB3 ASN 39 HB1 ASN 39 -11.911 6.616 7.306 303 HD21 ASN 39 HD21 ASN 39 -10.691 8.303 6.920 304 HD22 ASN 39 HD22 ASN 39 -11.090 9.954 7.068 305 H ARG 40 HN ARG 40 -15.969 7.803 6.582 306 HA ARG 40 HA ARG 40 -15.619 7.129 3.884 307 HB2 ARG 40 HB2 ARG 40 -17.424 8.572 3.341 308 HB3 ARG 40 HB1 ARG 40 -17.811 7.846 4.889 309 HG2 ARG 40 HG2 ARG 40 -16.759 10.647 4.466 310 HG3 ARG 40 HG1 ARG 40 -18.448 10.220 4.719 311 HD2 ARG 40 HD2 ARG 40 -17.943 9.443 6.956 312 HD3 ARG 40 HD1 ARG 40 -16.220 9.700 6.685 313 HE ARG 40 HE ARG 40 -17.661 12.070 6.235 314 HH11 ARG 40 HH11 ARG 40 -16.594 10.012 8.962 315 HH12 ARG 40 HH12 ARG 40 -16.440 11.303 10.035 316 HH21 ARG 40 HH21 ARG 40 -17.401 13.821 7.750 317 HH22 ARG 40 HH22 ARG 40 -16.888 13.509 9.343 318 H ALA 41 HN ALA 41 -14.276 9.799 5.748 319 HA ALA 41 HA ALA 41 -13.911 11.437 3.493 320 HB1 ALA 41 HB1 ALA 41 -14.093 12.371 5.768 321 HB2 ALA 41 HB2 ALA 41 -12.715 12.985 4.870 322 HB3 ALA 41 HB3 ALA 41 -12.471 11.795 6.133 323 H ALA 42 HN ALA 42 -11.781 9.163 5.015 324 HA ALA 42 HA ALA 42 -9.717 9.840 3.090 325 HB1 ALA 42 HB1 ALA 42 -9.015 9.216 5.341 326 HB2 ALA 42 HB2 ALA 42 -8.390 8.056 4.166 327 HB3 ALA 42 HB3 ALA 42 -9.789 7.646 5.166 328 H ALA 43 HN ALA 43 -12.371 7.731 3.371 329 HA ALA 43 HA ALA 43 -11.533 5.664 1.634 330 HB1 ALA 43 HB1 ALA 43 -13.875 5.035 1.561 331 HB2 ALA 43 HB2 ALA 43 -14.323 6.611 2.225 332 HB3 ALA 43 HB3 ALA 43 -13.404 5.476 3.212 333 H GLU 44 HN GLU 44 -13.309 8.676 1.136 334 HA GLU 44 HA GLU 44 -13.648 8.256 -1.629 335 HB2 GLU 44 HB2 GLU 44 -13.793 10.780 0.012 336 HB3 GLU 44 HB1 GLU 44 -14.209 10.701 -1.694 337 HG2 GLU 44 HG2 GLU 44 -15.548 9.120 0.499 338 HG3 GLU 44 HG1 GLU 44 -16.190 10.582 -0.250 339 H PHE 45 HN PHE 45 -10.991 9.370 0.225 340 HA PHE 45 HA PHE 45 -9.568 10.691 -1.852 341 HB2 PHE 45 HB2 PHE 45 -8.945 10.945 0.544 342 HB3 PHE 45 HB1 PHE 45 -8.475 9.251 0.591 343 HD1 PHE 45 HD1 PHE 45 -7.624 12.564 -0.782 344 HD2 PHE 45 HD2 PHE 45 -6.341 8.541 -0.230 345 HE1 PHE 45 HE1 PHE 45 -5.349 13.196 -1.473 346 HE2 PHE 45 HE2 PHE 45 -4.063 9.168 -0.922 347 HZ PHE 45 HZ PHE 45 -3.565 11.498 -1.543 348 H VAL 46 HN VAL 46 -9.940 7.387 -0.831 349 HA VAL 46 HA VAL 46 -7.926 6.149 -2.338 350 HB VAL 46 HB VAL 46 -10.668 5.041 -1.640 351 HG11 VAL 46 HG11 VAL 46 -9.617 3.717 -3.387 352 HG12 VAL 46 HG12 VAL 46 -9.645 2.818 -1.870 353 HG13 VAL 46 HG13 VAL 46 -8.148 3.575 -2.422 354 HG21 VAL 46 HG21 VAL 46 -9.449 5.747 0.342 355 HG22 VAL 46 HG22 VAL 46 -8.053 4.796 -0.165 356 HG23 VAL 46 HG23 VAL 46 -9.560 3.989 0.264 357 H GLY 47 HN GLY 47 -11.210 7.111 -3.170 358 HA2 GLY 47 HA2 GLY 47 -11.241 5.984 -5.785 359 HA3 GLY 47 HA1 GLY 47 -12.316 7.245 -5.201 360 H SER 48 HN SER 48 -10.142 9.016 -4.497 361 HA SER 48 HA SER 48 -9.902 10.447 -6.913 362 HB2 SER 48 HB2 SER 48 -9.941 11.493 -4.650 363 HB3 SER 48 HB1 SER 48 -8.365 10.789 -4.317 364 HG SER 48 HG SER 48 -7.597 12.046 -6.169 365 H VAL 49 HN VAL 49 -7.863 8.111 -5.302 366 HA VAL 49 HA VAL 49 -5.799 8.532 -7.339 367 HB VAL 49 HB VAL 49 -4.261 7.281 -5.835 368 HG11 VAL 49 HG11 VAL 49 -4.017 9.007 -4.113 369 HG12 VAL 49 HG12 VAL 49 -5.611 9.637 -4.529 370 HG13 VAL 49 HG13 VAL 49 -4.302 9.705 -5.708 371 HG21 VAL 49 HG21 VAL 49 -6.575 7.336 -3.890 372 HG22 VAL 49 HG22 VAL 49 -4.930 6.852 -3.490 373 HG23 VAL 49 HG23 VAL 49 -5.877 5.896 -4.633 374 H ASN 50 HN ASN 50 -8.395 6.968 -7.442 375 HA ASN 50 HA ASN 50 -7.254 4.313 -8.069 376 HB2 ASN 50 HB2 ASN 50 -9.177 4.793 -6.226 377 HB3 ASN 50 HB1 ASN 50 -10.172 4.597 -7.667 378 HD21 ASN 50 HD21 ASN 50 -8.080 3.116 -5.427 379 HD22 ASN 50 HD22 ASN 50 -8.367 1.479 -5.842 380 H GLY 51 HN GLY 51 -9.182 3.244 -9.589 381 HA2 GLY 51 HA2 GLY 51 -9.289 5.075 -11.885 382 HA3 GLY 51 HA1 GLY 51 -9.211 3.315 -11.974 383 H GLY 52 HN GLY 52 -11.246 5.964 -10.868 384 HA2 GLY 52 HA2 GLY 52 -13.501 6.280 -11.187 385 HA3 GLY 52 HA1 GLY 52 -13.574 4.741 -12.042 386 H ASN 53 HN ASN 53 -13.976 2.900 -10.940 387 HA ASN 53 HA ASN 53 -15.301 3.230 -8.401 388 HB2 ASN 53 HB2 ASN 53 -14.846 0.788 -10.129 389 HB3 ASN 53 HB1 ASN 53 -15.621 0.705 -8.552 390 HD21 ASN 53 HD21 ASN 53 -15.950 1.642 -11.867 391 HD22 ASN 53 HD22 ASN 53 -17.637 1.990 -11.793 392 H ARG 54 HN ARG 54 -14.586 2.639 -6.472 393 HA ARG 54 HA ARG 54 -11.813 2.525 -6.121 394 HB2 ARG 54 HB2 ARG 54 -14.030 2.088 -4.132 395 HB3 ARG 54 HB1 ARG 54 -12.329 2.067 -3.699 396 HG2 ARG 54 HG2 ARG 54 -12.162 4.383 -4.629 397 HG3 ARG 54 HG1 ARG 54 -13.919 4.379 -4.776 398 HD2 ARG 54 HD2 ARG 54 -12.418 3.877 -2.214 399 HD3 ARG 54 HD1 ARG 54 -13.044 5.448 -2.686 400 HE ARG 54 HE ARG 54 -15.264 4.256 -2.716 401 HH11 ARG 54 HH11 ARG 54 -12.659 3.258 -0.537 402 HH12 ARG 54 HH12 ARG 54 -13.670 2.863 0.774 403 HH21 ARG 54 HH21 ARG 54 -16.681 3.771 -0.874 404 HH22 ARG 54 HH22 ARG 54 -16.046 3.139 0.563 405 H THR 55 HN THR 55 -10.799 0.912 -6.953 406 HA THR 55 HA THR 55 -11.329 -1.861 -6.289 407 HB THR 55 HB THR 55 -8.675 -0.763 -7.197 408 HG1 THR 55 HG1 THR 55 -10.060 0.347 -8.554 409 HG21 THR 55 HG21 THR 55 -10.315 -3.168 -8.025 410 HG22 THR 55 HG22 THR 55 -8.987 -3.183 -6.867 411 HG23 THR 55 HG23 THR 55 -8.677 -2.805 -8.568 412 H VAL 56 HN VAL 56 -9.731 -2.954 -4.615 413 HA VAL 56 HA VAL 56 -9.157 -0.749 -2.914 414 HB VAL 56 HB VAL 56 -8.937 -3.527 -1.805 415 HG11 VAL 56 HG11 VAL 56 -9.259 -0.821 -0.471 416 HG12 VAL 56 HG12 VAL 56 -7.711 -1.509 -0.711 417 HG13 VAL 56 HG13 VAL 56 -8.896 -2.342 0.340 418 HG21 VAL 56 HG21 VAL 56 -11.206 -3.021 -2.551 419 HG22 VAL 56 HG22 VAL 56 -11.073 -1.493 -1.623 420 HG23 VAL 56 HG23 VAL 56 -11.008 -3.055 -0.776 421 HA PRO 57 HA PRO 57 -5.637 -2.403 -1.153 422 HB2 PRO 57 HB2 PRO 57 -3.601 -3.884 -2.279 423 HB3 PRO 57 HB1 PRO 57 -4.881 -4.498 -1.241 424 HG2 PRO 57 HG2 PRO 57 -4.833 -4.438 -4.242 425 HG3 PRO 57 HG1 PRO 57 -5.339 -5.749 -3.149 426 HD2 PRO 57 HD2 PRO 57 -7.109 -4.167 -4.361 427 HD3 PRO 57 HD1 PRO 57 -7.359 -4.793 -2.709 428 H THR 58 HN THR 58 -5.099 -0.304 -1.360 429 HA THR 58 HA THR 58 -3.538 0.614 -3.615 430 HB THR 58 HB THR 58 -4.674 2.703 -2.019 431 HG1 THR 58 HG1 THR 58 -6.502 0.697 -2.702 432 HG21 THR 58 HG21 THR 58 -4.268 2.770 -4.502 433 HG22 THR 58 HG22 THR 58 -5.916 3.201 -4.064 434 HG23 THR 58 HG23 THR 58 -5.578 1.599 -4.700 435 H VAL 59 HN VAL 59 -1.464 0.671 -3.067 436 HA VAL 59 HA VAL 59 -0.758 1.444 -0.335 437 HB VAL 59 HB VAL 59 0.266 -0.681 -0.952 438 HG11 VAL 59 HG11 VAL 59 1.241 0.740 -3.360 439 HG12 VAL 59 HG12 VAL 59 0.128 -0.622 -3.289 440 HG13 VAL 59 HG13 VAL 59 1.834 -0.844 -2.849 441 HG21 VAL 59 HG21 VAL 59 2.345 1.505 -1.090 442 HG22 VAL 59 HG22 VAL 59 2.653 -0.184 -0.686 443 HG23 VAL 59 HG23 VAL 59 1.678 0.821 0.389 444 H LYS 60 HN LYS 60 0.055 3.371 0.054 445 HA LYS 60 HA LYS 60 0.843 4.999 -2.235 446 HB2 LYS 60 HB2 LYS 60 -0.998 5.932 -0.932 447 HB3 LYS 60 HB1 LYS 60 -0.047 5.809 0.546 448 HG2 LYS 60 HG2 LYS 60 1.477 7.484 -0.321 449 HG3 LYS 60 HG1 LYS 60 0.566 7.541 -1.829 450 HD2 LYS 60 HD2 LYS 60 -1.424 8.270 -0.593 451 HD3 LYS 60 HD1 LYS 60 -0.490 8.238 0.906 452 HE2 LYS 60 HE2 LYS 60 0.189 9.873 -1.499 453 HE3 LYS 60 HE1 LYS 60 -0.717 10.497 -0.115 454 HZ1 LYS 60 HZ1 LYS 60 2.075 9.421 0.004 455 HZ2 LYS 60 HZ2 LYS 60 1.208 10.064 1.283 456 HZ3 LYS 60 HZ3 LYS 60 1.659 11.044 0.013 457 H PHE 61 HN PHE 61 2.853 5.560 -2.450 458 HA PHE 61 HA PHE 61 4.763 4.912 -0.323 459 HB2 PHE 61 HB2 PHE 61 5.229 5.308 -3.299 460 HB3 PHE 61 HB1 PHE 61 6.458 4.938 -2.095 461 HD1 PHE 61 HD2 PHE 61 6.697 2.694 -1.159 462 HD2 PHE 61 HD1 PHE 61 3.647 3.573 -4.023 463 HE1 PHE 61 HE2 PHE 61 6.341 0.322 -1.512 464 HE2 PHE 61 HE1 PHE 61 3.304 1.137 -4.354 465 HZ PHE 61 HZ PHE 61 4.638 -0.463 -3.102 466 H ALA 62 HN ALA 62 6.791 6.422 -0.440 467 HA ALA 62 HA ALA 62 5.899 8.927 0.450 468 HB1 ALA 62 HB1 ALA 62 8.775 8.309 -0.123 469 HB2 ALA 62 HB2 ALA 62 7.910 7.682 1.278 470 HB3 ALA 62 HB3 ALA 62 8.107 9.420 1.071 471 H ASP 63 HN ASP 63 6.672 8.062 -2.747 472 HA ASP 63 HA ASP 63 7.391 10.738 -3.615 473 HB2 ASP 63 HB2 ASP 63 6.522 8.300 -5.181 474 HB3 ASP 63 HB1 ASP 63 6.772 9.850 -5.945 475 H GLY 64 HN GLY 64 4.578 9.248 -2.632 476 HA2 GLY 64 HA2 GLY 64 2.468 10.233 -2.526 477 HA3 GLY 64 HA1 GLY 64 2.905 11.300 -3.860 478 H SER 65 HN SER 65 4.069 8.449 -4.702 479 HA SER 65 HA SER 65 2.227 7.854 -6.731 480 HB2 SER 65 HB2 SER 65 4.276 6.005 -5.513 481 HB3 SER 65 HB1 SER 65 3.691 6.019 -7.173 482 HG SER 65 HG SER 65 4.611 8.232 -7.210 483 H THR 66 HN THR 66 0.446 6.504 -6.636 484 HA THR 66 HA THR 66 0.232 4.824 -4.238 485 HB THR 66 HB THR 66 -2.192 5.758 -5.768 486 HG1 THR 66 HG1 THR 66 -1.290 7.697 -5.298 487 HG21 THR 66 HG21 THR 66 -1.676 5.194 -2.852 488 HG22 THR 66 HG22 THR 66 -2.385 4.044 -3.988 489 HG23 THR 66 HG23 THR 66 -3.250 5.529 -3.568 490 H LEU 67 HN LEU 67 -0.192 2.712 -4.700 491 HA LEU 67 HA LEU 67 -0.602 2.040 -7.526 492 HB2 LEU 67 HB2 LEU 67 1.265 0.836 -5.538 493 HB3 LEU 67 HB1 LEU 67 0.535 -0.215 -6.727 494 HG LEU 67 HG LEU 67 1.478 1.195 -8.502 495 HD11 LEU 67 HD11 LEU 67 2.981 2.638 -6.315 496 HD12 LEU 67 HD12 LEU 67 1.768 3.300 -7.398 497 HD13 LEU 67 HD13 LEU 67 3.304 2.740 -8.045 498 HD21 LEU 67 HD21 LEU 67 2.590 -0.824 -7.918 499 HD22 LEU 67 HD22 LEU 67 3.444 -0.045 -6.593 500 HD23 LEU 67 HD23 LEU 67 3.800 0.407 -8.267 501 H THR 68 HN THR 68 -2.412 1.155 -7.942 502 HA THR 68 HA THR 68 -3.949 -0.138 -5.856 503 HB THR 68 HB THR 68 -4.670 0.345 -8.762 504 HG1 THR 68 HG1 THR 68 -4.372 2.356 -7.995 505 HG21 THR 68 HG21 THR 68 -6.091 -1.265 -7.563 506 HG22 THR 68 HG22 THR 68 -6.968 0.220 -7.931 507 HG23 THR 68 HG23 THR 68 -6.374 -0.069 -6.296 508 H ASN 69 HN ASN 69 -3.578 -2.234 -5.591 509 HA ASN 69 HA ASN 69 -3.236 -4.463 -5.936 510 HB2 ASN 69 HB2 ASN 69 -5.223 -4.199 -7.444 511 HB3 ASN 69 HB1 ASN 69 -4.133 -3.922 -8.791 512 HD21 ASN 69 HD21 ASN 69 -5.630 -6.216 -6.769 513 HD22 ASN 69 HD22 ASN 69 -5.082 -7.641 -7.551 514 HA PRO 70 HA PRO 70 0.855 -4.003 -8.044 515 HB2 PRO 70 HB2 PRO 70 2.463 -3.561 -6.020 516 HB3 PRO 70 HB1 PRO 70 1.388 -2.258 -6.552 517 HG2 PRO 70 HG2 PRO 70 1.050 -4.162 -4.258 518 HG3 PRO 70 HG1 PRO 70 0.834 -2.400 -4.274 519 HD2 PRO 70 HD2 PRO 70 -1.239 -4.216 -4.553 520 HD3 PRO 70 HD1 PRO 70 -1.252 -2.539 -5.162 521 H SER 71 HN SER 71 3.009 -5.159 -7.077 522 HA SER 71 HA SER 71 2.276 -7.850 -6.184 523 HB2 SER 71 HB2 SER 71 4.700 -6.986 -7.799 524 HB3 SER 71 HB1 SER 71 4.148 -8.636 -7.500 525 HG SER 71 HG SER 71 3.497 -7.100 -9.527 526 H ALA 72 HN ALA 72 3.744 -8.739 -4.583 527 HA ALA 72 HA ALA 72 4.557 -6.988 -2.573 528 HB1 ALA 72 HB1 ALA 72 5.527 -9.809 -3.035 529 HB2 ALA 72 HB2 ALA 72 4.044 -9.357 -2.192 530 HB3 ALA 72 HB3 ALA 72 5.612 -8.917 -1.518 531 H ASP 73 HN ASP 73 6.427 -8.502 -5.107 532 HA ASP 73 HA ASP 73 8.981 -7.627 -4.284 533 HB2 ASP 73 HB2 ASP 73 7.943 -8.469 -6.985 534 HB3 ASP 73 HB1 ASP 73 9.616 -7.991 -6.729 535 H GLU 74 HN GLU 74 6.556 -6.199 -6.328 536 HA GLU 74 HA GLU 74 8.010 -3.942 -7.186 537 HB2 GLU 74 HB2 GLU 74 5.074 -4.425 -6.795 538 HB3 GLU 74 HB1 GLU 74 5.682 -2.849 -7.266 539 HG2 GLU 74 HG2 GLU 74 6.092 -5.405 -8.782 540 HG3 GLU 74 HG1 GLU 74 4.946 -4.121 -9.191 541 H VAL 75 HN VAL 75 5.902 -4.504 -4.445 542 HA VAL 75 HA VAL 75 6.008 -1.944 -3.381 543 HB VAL 75 HB VAL 75 5.600 -4.567 -1.902 544 HG11 VAL 75 HG11 VAL 75 4.945 -1.754 -1.027 545 HG12 VAL 75 HG12 VAL 75 6.203 -2.785 -0.349 546 HG13 VAL 75 HG13 VAL 75 4.505 -3.230 -0.168 547 HG21 VAL 75 HG21 VAL 75 3.214 -4.030 -2.073 548 HG22 VAL 75 HG22 VAL 75 3.956 -4.203 -3.663 549 HG23 VAL 75 HG23 VAL 75 3.608 -2.598 -3.023 550 H LYS 76 HN LYS 76 8.105 -4.723 -2.842 551 HA LYS 76 HA LYS 76 9.644 -3.515 -0.793 552 HB2 LYS 76 HB2 LYS 76 9.427 -6.026 -1.477 553 HB3 LYS 76 HB1 LYS 76 10.708 -5.665 -2.625 554 HG2 LYS 76 HG2 LYS 76 10.917 -5.301 0.364 555 HG3 LYS 76 HG1 LYS 76 11.454 -6.732 -0.499 556 HD2 LYS 76 HD2 LYS 76 13.098 -5.432 -1.703 557 HD3 LYS 76 HD1 LYS 76 12.496 -3.940 -0.971 558 HE2 LYS 76 HE2 LYS 76 14.515 -4.683 0.176 559 HE3 LYS 76 HE1 LYS 76 13.105 -4.794 1.233 560 HZ1 LYS 76 HZ1 LYS 76 14.303 -7.069 -0.240 561 HZ2 LYS 76 HZ2 LYS 76 13.033 -7.152 0.877 562 HZ3 LYS 76 HZ3 LYS 76 14.579 -6.706 1.380 563 H ALA 77 HN ALA 77 10.041 -3.623 -4.323 564 HA ALA 77 HA ALA 77 12.614 -2.300 -4.265 565 HB1 ALA 77 HB1 ALA 77 12.408 -2.231 -6.701 566 HB2 ALA 77 HB2 ALA 77 10.719 -2.714 -6.588 567 HB3 ALA 77 HB3 ALA 77 11.990 -3.834 -6.100 568 H LYS 78 HN LYS 78 9.300 -1.262 -4.564 569 HA LYS 78 HA LYS 78 10.023 1.461 -5.149 570 HB2 LYS 78 HB2 LYS 78 7.435 0.259 -4.146 571 HB3 LYS 78 HB1 LYS 78 7.633 1.938 -4.618 572 HG2 LYS 78 HG2 LYS 78 8.029 -0.418 -6.458 573 HG3 LYS 78 HG1 LYS 78 6.549 0.533 -6.343 574 HD2 LYS 78 HD2 LYS 78 7.762 2.526 -7.042 575 HD3 LYS 78 HD1 LYS 78 9.264 1.615 -7.105 576 HE2 LYS 78 HE2 LYS 78 6.820 1.073 -8.789 577 HE3 LYS 78 HE1 LYS 78 8.234 1.961 -9.332 578 HZ1 LYS 78 HZ1 LYS 78 8.012 -0.960 -8.766 579 HZ2 LYS 78 HZ2 LYS 78 9.502 -0.150 -8.760 580 HZ3 LYS 78 HZ3 LYS 78 8.567 -0.143 -10.138 581 H LEU 79 HN LEU 79 9.476 -0.478 -2.336 582 HA LEU 79 HA LEU 79 9.231 1.443 -0.375 583 HB2 LEU 79 HB2 LEU 79 8.993 -1.063 -0.045 584 HB3 LEU 79 HB1 LEU 79 10.721 -1.170 -0.191 585 HG LEU 79 HG LEU 79 10.850 0.340 1.821 586 HD11 LEU 79 HD11 LEU 79 8.965 0.219 3.364 587 HD12 LEU 79 HD12 LEU 79 7.979 -0.480 2.086 588 HD13 LEU 79 HD13 LEU 79 8.568 1.168 1.936 589 HD21 LEU 79 HD21 LEU 79 11.432 -2.004 1.887 590 HD22 LEU 79 HD22 LEU 79 9.736 -2.445 2.082 591 HD23 LEU 79 HD23 LEU 79 10.571 -1.560 3.359 592 H VAL 80 HN VAL 80 12.111 -0.149 -1.630 593 HA VAL 80 HA VAL 80 13.916 1.151 0.046 594 HB VAL 80 HB VAL 80 15.729 0.379 -1.506 595 HG11 VAL 80 HG11 VAL 80 14.929 -1.079 0.234 596 HG12 VAL 80 HG12 VAL 80 15.348 -1.991 -1.218 597 HG13 VAL 80 HG13 VAL 80 13.655 -1.673 -0.834 598 HG21 VAL 80 HG21 VAL 80 13.407 -0.528 -3.144 599 HG22 VAL 80 HG22 VAL 80 15.060 -1.099 -3.366 600 HG23 VAL 80 HG23 VAL 80 14.668 0.604 -3.634 601 H LYS 81 HN LYS 81 12.760 2.148 -3.144 602 HA LYS 81 HA LYS 81 14.660 4.277 -3.280 603 HB2 LYS 81 HB2 LYS 81 13.493 5.082 -5.228 604 HB3 LYS 81 HB1 LYS 81 13.581 3.332 -5.331 605 HG2 LYS 81 HG2 LYS 81 11.280 3.118 -4.683 606 HG3 LYS 81 HG1 LYS 81 11.180 4.840 -4.344 607 HD2 LYS 81 HD2 LYS 81 11.597 3.580 -7.056 608 HD3 LYS 81 HD1 LYS 81 10.105 4.311 -6.468 609 HE2 LYS 81 HE2 LYS 81 12.724 5.707 -7.071 610 HE3 LYS 81 HE1 LYS 81 11.193 5.885 -7.909 611 HZ1 LYS 81 HZ1 LYS 81 11.566 7.741 -6.498 612 HZ2 LYS 81 HZ2 LYS 81 11.819 6.822 -5.153 613 HZ3 LYS 81 HZ3 LYS 81 10.272 6.927 -5.815 614 H ILE 82 HN ILE 82 11.427 3.942 -1.960 615 HA ILE 82 HA ILE 82 11.261 6.783 -1.637 616 HB ILE 82 HB ILE 82 9.022 6.514 -0.706 617 HG12 ILE 82 HG12 ILE 82 7.946 4.178 -0.897 618 HG13 ILE 82 HG11 ILE 82 9.580 3.537 -0.878 619 HG21 ILE 82 HG21 ILE 82 9.349 4.841 -3.175 620 HG22 ILE 82 HG22 ILE 82 9.482 6.587 -3.116 621 HG23 ILE 82 HG23 ILE 82 7.948 5.832 -2.736 622 HD11 ILE 82 HD11 ILE 82 8.243 5.121 1.315 623 HD12 ILE 82 HD12 ILE 82 9.893 4.507 1.362 624 HD13 ILE 82 HD13 ILE 82 8.535 3.381 1.308 625 H ALA 83 HN ALA 83 12.564 4.311 0.070 626 HA ALA 83 HA ALA 83 12.402 5.514 2.654 627 HB1 ALA 83 HB1 ALA 83 14.087 3.843 3.275 628 HB2 ALA 83 HB2 ALA 83 14.301 3.431 1.573 629 HB3 ALA 83 HB3 ALA 83 12.765 3.101 2.372 630 H GLY 84 HN GLY 84 13.975 6.270 -0.166 631 HA2 GLY 84 HA2 GLY 84 15.306 8.079 -0.615 632 HA3 GLY 84 HA1 GLY 84 15.531 8.325 1.115 633 H LEU 85 HN LEU 85 16.825 6.639 2.157 634 HA LEU 85 HA LEU 85 19.315 6.352 0.667 635 HB2 LEU 85 HB2 LEU 85 18.711 5.970 3.598 636 HB3 LEU 85 HB1 LEU 85 20.306 5.945 2.873 637 HG LEU 85 HG LEU 85 18.476 8.348 2.934 638 HD11 LEU 85 HD11 LEU 85 20.912 7.708 4.574 639 HD12 LEU 85 HD12 LEU 85 19.249 7.808 5.152 640 HD13 LEU 85 HD13 LEU 85 20.065 9.253 4.556 641 HD21 LEU 85 HD21 LEU 85 20.477 9.581 2.192 642 HD22 LEU 85 HD22 LEU 85 19.955 8.390 1.008 643 HD23 LEU 85 HD23 LEU 85 21.347 8.054 2.037 644 H GLU 86 HN GLU 86 16.783 4.645 0.648 645 HA GLU 86 HA GLU 86 16.153 2.548 0.204 646 HB2 GLU 86 HB2 GLU 86 19.102 2.076 -0.180 647 HB3 GLU 86 HB1 GLU 86 17.848 0.938 -0.622 648 HG2 GLU 86 HG2 GLU 86 16.978 2.513 -2.251 649 HG3 GLU 86 HG1 GLU 86 18.193 3.698 -1.762 650 H HIS 87 HN HIS 87 19.167 1.693 1.654 651 HA HIS 87 HA HIS 87 18.755 0.720 4.109 652 HB2 HIS 87 HB2 HIS 87 16.789 -0.610 2.952 653 HB3 HIS 87 HB1 HIS 87 18.058 -1.549 2.187 654 HD1 HIS 87 HD1 HIS 87 15.762 -2.038 4.732 655 HD2 HIS 87 HD2 HIS 87 19.904 -2.402 4.637 656 HE1 HIS 87 HE1 HIS 87 16.362 -3.626 6.566 657 H HIS 88 HN HIS 88 19.728 0.336 0.868 658 HA HIS 88 HA HIS 88 22.104 -1.191 1.277 659 HB2 HIS 88 HB2 HIS 88 21.257 0.511 -1.097 660 HB3 HIS 88 HB1 HIS 88 22.554 -0.675 -1.090 661 HD1 HIS 88 HD1 HIS 88 19.255 -0.400 -2.364 662 HD2 HIS 88 HD2 HIS 88 21.285 -3.350 -0.217 663 HE1 HIS 88 HE1 HIS 88 17.969 -2.521 -2.688 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 0.083 9.951 14.487 2 H2 MET 1 HT2 MET 1 1.640 9.408 14.764 3 H3 MET 1 HT3 MET 1 0.755 10.107 16.013 4 HA MET 1 HA MET 1 0.853 7.695 16.188 5 HB2 MET 1 HB2 MET 1 -1.052 8.855 17.165 6 HB3 MET 1 HB1 MET 1 -1.885 8.848 15.618 7 HG2 MET 1 HG2 MET 1 -2.039 6.462 15.656 8 HG3 MET 1 HG1 MET 1 -1.122 6.379 17.162 9 HE1 MET 1 HE1 MET 1 -3.033 4.820 18.141 10 HE2 MET 1 HE2 MET 1 -3.905 4.954 16.616 11 HE3 MET 1 HE3 MET 1 -4.743 5.249 18.138 12 H VAL 2 HN VAL 2 1.307 5.990 15.052 13 HA VAL 2 HA VAL 2 1.366 4.393 13.470 14 HB VAL 2 HB VAL 2 -1.318 5.456 12.513 15 HG11 VAL 2 HG11 VAL 2 -1.627 3.231 11.513 16 HG12 VAL 2 HG12 VAL 2 0.000 2.783 12.035 17 HG13 VAL 2 HG13 VAL 2 -0.218 4.061 10.848 18 HG21 VAL 2 HG21 VAL 2 -1.393 4.762 14.867 19 HG22 VAL 2 HG22 VAL 2 -0.746 3.188 14.412 20 HG23 VAL 2 HG23 VAL 2 -2.336 3.689 13.836 21 H THR 3 HN THR 3 3.143 5.159 12.382 22 HA THR 3 HA THR 3 2.502 6.444 9.853 23 HB THR 3 HB THR 3 4.818 7.225 11.640 24 HG1 THR 3 HG1 THR 3 2.216 8.058 11.435 25 HG21 THR 3 HG21 THR 3 3.789 8.402 9.047 26 HG22 THR 3 HG22 THR 3 5.253 7.437 9.223 27 HG23 THR 3 HG23 THR 3 5.146 9.015 9.991 28 H ALA 4 HN ALA 4 3.288 5.268 8.235 29 HA ALA 4 HA ALA 4 5.752 3.796 8.672 30 HB1 ALA 4 HB1 ALA 4 3.338 2.887 7.097 31 HB2 ALA 4 HB2 ALA 4 3.894 2.208 8.623 32 HB3 ALA 4 HB3 ALA 4 4.879 2.037 7.168 33 H ALA 5 HN ALA 5 6.656 3.258 6.374 34 HA ALA 5 HA ALA 5 6.627 5.731 4.843 35 HB1 ALA 5 HB1 ALA 5 8.797 4.712 5.419 36 HB2 ALA 5 HB2 ALA 5 8.556 4.781 3.673 37 HB3 ALA 5 HB3 ALA 5 8.341 3.258 4.528 38 H LEU 6 HN LEU 6 4.774 3.119 4.942 39 HA LEU 6 HA LEU 6 4.128 3.223 2.110 40 HB2 LEU 6 HB2 LEU 6 5.664 1.233 2.791 41 HB3 LEU 6 HB1 LEU 6 4.222 0.629 3.594 42 HG LEU 6 HG LEU 6 3.064 0.797 1.393 43 HD11 LEU 6 HD11 LEU 6 5.889 1.187 0.473 44 HD12 LEU 6 HD12 LEU 6 4.555 2.333 0.307 45 HD13 LEU 6 HD13 LEU 6 4.526 0.805 -0.572 46 HD21 LEU 6 HD21 LEU 6 3.809 -1.332 2.289 47 HD22 LEU 6 HD22 LEU 6 5.425 -1.048 1.640 48 HD23 LEU 6 HD23 LEU 6 4.059 -1.267 0.545 49 H THR 7 HN THR 7 2.033 3.847 2.210 50 HA THR 7 HA THR 7 0.425 2.855 4.437 51 HB THR 7 HB THR 7 -0.091 5.221 2.615 52 HG1 THR 7 HG1 THR 7 1.031 4.864 5.161 53 HG21 THR 7 HG21 THR 7 -2.128 4.267 3.613 54 HG22 THR 7 HG22 THR 7 -1.746 5.834 4.330 55 HG23 THR 7 HG23 THR 7 -1.378 4.350 5.205 56 H ILE 8 HN ILE 8 -1.187 1.492 4.033 57 HA ILE 8 HA ILE 8 -1.914 1.000 1.231 58 HB ILE 8 HB ILE 8 -1.600 -1.004 3.482 59 HG12 ILE 8 HG12 ILE 8 -0.201 -0.734 0.823 60 HG13 ILE 8 HG11 ILE 8 0.482 -0.315 2.390 61 HG21 ILE 8 HG21 ILE 8 -2.292 -2.747 1.879 62 HG22 ILE 8 HG22 ILE 8 -2.673 -1.503 0.686 63 HG23 ILE 8 HG23 ILE 8 -3.569 -1.577 2.208 64 HD11 ILE 8 HD11 ILE 8 -0.339 -3.059 1.492 65 HD12 ILE 8 HD12 ILE 8 0.381 -2.640 3.054 66 HD13 ILE 8 HD13 ILE 8 1.305 -2.430 1.568 67 H TYR 9 HN TYR 9 -3.984 0.945 0.767 68 HA TYR 9 HA TYR 9 -5.857 1.610 2.843 69 HB2 TYR 9 HB2 TYR 9 -5.980 1.536 -0.163 70 HB3 TYR 9 HB1 TYR 9 -7.399 1.899 0.792 71 HD1 TYR 9 HD2 TYR 9 -4.151 3.128 -0.378 72 HD2 TYR 9 HD1 TYR 9 -7.516 4.018 2.057 73 HE1 TYR 9 HE2 TYR 9 -3.442 5.479 -0.263 74 HE2 TYR 9 HE1 TYR 9 -6.820 6.369 2.176 75 HH TYR 9 HH TYR 9 -4.851 7.708 1.929 76 H THR 10 HN THR 10 -7.296 0.167 3.761 77 HA THR 10 HA THR 10 -7.601 -2.468 2.513 78 HB THR 10 HB THR 10 -7.518 -3.338 4.906 79 HG1 THR 10 HG1 THR 10 -7.594 -1.579 6.128 80 HG21 THR 10 HG21 THR 10 -5.690 -3.728 3.295 81 HG22 THR 10 HG22 THR 10 -5.055 -3.468 4.923 82 HG23 THR 10 HG23 THR 10 -4.986 -2.171 3.728 83 H THR 11 HN THR 11 -9.552 -3.567 3.068 84 HA THR 11 HA THR 11 -11.521 -2.206 4.732 85 HB THR 11 HB THR 11 -13.276 -2.991 3.031 86 HG1 THR 11 HG1 THR 11 -11.211 -2.660 1.178 87 HG21 THR 11 HG21 THR 11 -11.529 -0.633 2.302 88 HG22 THR 11 HG22 THR 11 -12.900 -0.634 3.427 89 HG23 THR 11 HG23 THR 11 -13.170 -0.927 1.713 90 H SER 12 HN SER 12 -13.298 -3.712 5.302 91 HA SER 12 HA SER 12 -12.279 -6.275 5.996 92 HB2 SER 12 HB2 SER 12 -15.112 -5.269 6.216 93 HB3 SER 12 HB1 SER 12 -14.286 -6.429 7.256 94 HG SER 12 HG SER 12 -13.256 -4.827 8.276 95 H TRP 13 HN TRP 13 -13.700 -5.063 3.190 96 HA TRP 13 HA TRP 13 -15.338 -7.379 2.536 97 HB2 TRP 13 HB2 TRP 13 -14.583 -5.229 0.582 98 HB3 TRP 13 HB1 TRP 13 -16.017 -6.235 0.619 99 HD1 TRP 13 HD1 TRP 13 -16.985 -5.566 3.583 100 HE1 TRP 13 HE1 TRP 13 -17.908 -3.243 4.087 101 HE3 TRP 13 HE3 TRP 13 -14.901 -3.038 -0.327 102 HZ2 TRP 13 HZ2 TRP 13 -17.793 -0.640 2.935 103 HZ3 TRP 13 HZ3 TRP 13 -15.364 -0.634 -0.557 104 HH2 TRP 13 HH2 TRP 13 -16.778 0.533 1.045 105 H CYS 14 HN CYS 14 -12.179 -6.196 2.042 106 HA CYS 14 HA CYS 14 -11.822 -7.492 -0.523 107 HB2 CYS 14 HB2 CYS 14 -11.182 -5.197 -0.282 108 HB3 CYS 14 HB1 CYS 14 -10.122 -5.599 1.061 109 H GLY 15 HN GLY 15 -11.073 -9.544 -0.596 110 HA2 GLY 15 HA2 GLY 15 -9.446 -10.556 1.580 111 HA3 GLY 15 HA1 GLY 15 -10.117 -11.478 0.241 112 H TYR 16 HN TYR 16 -9.200 -9.650 -1.788 113 HA TYR 16 HA TYR 16 -6.624 -10.732 -2.116 114 HB2 TYR 16 HB2 TYR 16 -6.474 -9.568 -4.263 115 HB3 TYR 16 HB1 TYR 16 -8.010 -10.377 -4.085 116 HD1 TYR 16 HD2 TYR 16 -10.004 -8.780 -3.307 117 HD2 TYR 16 HD1 TYR 16 -6.394 -7.406 -5.086 118 HE1 TYR 16 HE2 TYR 16 -11.139 -6.712 -4.033 119 HE2 TYR 16 HE1 TYR 16 -7.503 -5.397 -5.824 120 HH TYR 16 HH TYR 16 -9.736 -4.605 -6.300 121 H CYS 17 HN CYS 17 -7.629 -7.891 -0.626 122 HA CYS 17 HA CYS 17 -5.261 -6.413 -0.757 123 HB2 CYS 17 HB2 CYS 17 -7.378 -6.527 1.398 124 HB3 CYS 17 HB1 CYS 17 -6.092 -5.323 1.342 125 H LEU 18 HN LEU 18 -6.473 -8.994 1.318 126 HA LEU 18 HA LEU 18 -4.467 -8.908 3.315 127 HB2 LEU 18 HB2 LEU 18 -6.754 -9.812 3.639 128 HB3 LEU 18 HB1 LEU 18 -6.386 -11.115 2.542 129 HG LEU 18 HG LEU 18 -4.791 -10.794 5.079 130 HD11 LEU 18 HD11 LEU 18 -6.406 -12.250 6.188 131 HD12 LEU 18 HD12 LEU 18 -7.446 -12.188 4.759 132 HD13 LEU 18 HD13 LEU 18 -7.138 -10.722 5.696 133 HD21 LEU 18 HD21 LEU 18 -4.041 -12.428 3.392 134 HD22 LEU 18 HD22 LEU 18 -5.628 -13.201 3.452 135 HD23 LEU 18 HD23 LEU 18 -4.584 -13.214 4.874 136 H ARG 19 HN ARG 19 -4.818 -10.471 0.252 137 HA ARG 19 HA ARG 19 -2.745 -12.363 0.355 138 HB2 ARG 19 HB2 ARG 19 -4.417 -12.245 -1.440 139 HB3 ARG 19 HB1 ARG 19 -3.736 -10.719 -1.976 140 HG2 ARG 19 HG2 ARG 19 -1.599 -11.917 -2.442 141 HG3 ARG 19 HG1 ARG 19 -2.434 -13.429 -2.074 142 HD2 ARG 19 HD2 ARG 19 -3.162 -11.452 -4.220 143 HD3 ARG 19 HD1 ARG 19 -2.433 -13.040 -4.468 144 HE ARG 19 HE ARG 19 -4.553 -13.840 -3.293 145 HH11 ARG 19 HH11 ARG 19 -4.408 -11.123 -5.554 146 HH12 ARG 19 HH12 ARG 19 -6.028 -11.242 -6.037 147 HH21 ARG 19 HH21 ARG 19 -6.801 -14.000 -3.937 148 HH22 ARG 19 HH22 ARG 19 -7.428 -12.913 -5.102 149 H LEU 20 HN LEU 20 -2.776 -8.939 -0.473 150 HA LEU 20 HA LEU 20 -0.039 -8.910 -1.161 151 HB2 LEU 20 HB2 LEU 20 -1.570 -7.285 -2.137 152 HB3 LEU 20 HB1 LEU 20 -1.973 -6.671 -0.557 153 HG LEU 20 HG LEU 20 0.514 -5.967 -0.436 154 HD11 LEU 20 HD11 LEU 20 1.527 -7.024 -2.353 155 HD12 LEU 20 HD12 LEU 20 1.441 -5.305 -2.654 156 HD13 LEU 20 HD13 LEU 20 0.273 -6.365 -3.405 157 HD21 LEU 20 HD21 LEU 20 -1.458 -4.591 -2.248 158 HD22 LEU 20 HD22 LEU 20 -0.015 -3.838 -1.573 159 HD23 LEU 20 HD23 LEU 20 -1.306 -4.393 -0.504 160 H LYS 21 HN LYS 21 -1.943 -8.072 1.665 161 HA LYS 21 HA LYS 21 -0.008 -6.902 3.283 162 HB2 LYS 21 HB2 LYS 21 -2.373 -8.595 4.048 163 HB3 LYS 21 HB1 LYS 21 -1.343 -7.780 5.213 164 HG2 LYS 21 HG2 LYS 21 -1.923 -5.621 4.155 165 HG3 LYS 21 HG1 LYS 21 -3.024 -6.479 3.079 166 HD2 LYS 21 HD2 LYS 21 -4.194 -5.469 5.010 167 HD3 LYS 21 HD1 LYS 21 -4.347 -7.226 4.981 168 HE2 LYS 21 HE2 LYS 21 -2.647 -7.451 6.688 169 HE3 LYS 21 HE1 LYS 21 -2.318 -5.722 6.644 170 HZ1 LYS 21 HZ1 LYS 21 -3.706 -6.536 8.500 171 HZ2 LYS 21 HZ2 LYS 21 -4.979 -6.807 7.401 172 HZ3 LYS 21 HZ3 LYS 21 -4.332 -5.254 7.641 173 H THR 22 HN THR 22 -0.895 -10.345 3.126 174 HA THR 22 HA THR 22 0.954 -11.217 5.027 175 HB THR 22 HB THR 22 0.650 -13.461 3.779 176 HG1 THR 22 HG1 THR 22 -1.574 -12.248 2.566 177 HG21 THR 22 HG21 THR 22 -0.617 -12.856 5.797 178 HG22 THR 22 HG22 THR 22 -1.638 -13.718 4.646 179 HG23 THR 22 HG23 THR 22 -1.771 -11.966 4.803 180 H ALA 23 HN ALA 23 1.150 -10.917 1.554 181 HA ALA 23 HA ALA 23 3.720 -11.981 1.102 182 HB1 ALA 23 HB1 ALA 23 2.089 -11.488 -0.680 183 HB2 ALA 23 HB2 ALA 23 3.657 -10.735 -0.980 184 HB3 ALA 23 HB3 ALA 23 2.312 -9.764 -0.381 185 H LEU 24 HN LEU 24 2.748 -8.634 1.712 186 HA LEU 24 HA LEU 24 5.404 -7.685 1.595 187 HB2 LEU 24 HB2 LEU 24 3.015 -6.415 2.917 188 HB3 LEU 24 HB1 LEU 24 4.514 -5.596 2.564 189 HG LEU 24 HG LEU 24 2.463 -6.602 0.613 190 HD11 LEU 24 HD11 LEU 24 3.531 -3.867 1.227 191 HD12 LEU 24 HD12 LEU 24 1.941 -4.502 1.648 192 HD13 LEU 24 HD13 LEU 24 2.379 -4.253 -0.045 193 HD21 LEU 24 HD21 LEU 24 3.883 -5.776 -1.180 194 HD22 LEU 24 HD22 LEU 24 4.706 -7.063 -0.295 195 HD23 LEU 24 HD23 LEU 24 5.136 -5.370 -0.014 196 H THR 25 HN THR 25 3.418 -8.822 4.247 197 HA THR 25 HA THR 25 5.188 -7.983 6.292 198 HB THR 25 HB THR 25 3.269 -10.336 6.424 199 HG1 THR 25 HG1 THR 25 2.164 -8.441 5.782 200 HG21 THR 25 HG21 THR 25 3.211 -9.787 8.829 201 HG22 THR 25 HG22 THR 25 4.398 -8.514 8.560 202 HG23 THR 25 HG23 THR 25 4.841 -10.200 8.296 203 H ALA 26 HN ALA 26 4.900 -11.018 4.448 204 HA ALA 26 HA ALA 26 6.991 -12.340 5.868 205 HB1 ALA 26 HB1 ALA 26 5.766 -13.015 3.196 206 HB2 ALA 26 HB2 ALA 26 5.163 -13.552 4.761 207 HB3 ALA 26 HB3 ALA 26 6.746 -14.088 4.198 208 H ASN 27 HN ASN 27 7.068 -9.903 3.638 209 HA ASN 27 HA ASN 27 9.741 -10.617 2.633 210 HB2 ASN 27 HB2 ASN 27 7.516 -8.978 1.537 211 HB3 ASN 27 HB1 ASN 27 9.165 -8.478 1.125 212 HD21 ASN 27 HD21 ASN 27 6.686 -10.852 0.763 213 HD22 ASN 27 HD22 ASN 27 7.404 -11.727 -0.538 214 H ARG 28 HN ARG 28 8.577 -9.251 5.161 215 HA ARG 28 HA ARG 28 8.991 -7.680 6.631 216 HB2 ARG 28 HB2 ARG 28 11.265 -8.711 6.684 217 HB3 ARG 28 HB1 ARG 28 11.803 -7.518 5.505 218 HG2 ARG 28 HG2 ARG 28 11.147 -5.717 7.094 219 HG3 ARG 28 HG1 ARG 28 10.786 -6.955 8.285 220 HD2 ARG 28 HD2 ARG 28 13.120 -7.652 8.270 221 HD3 ARG 28 HD1 ARG 28 13.477 -6.452 7.023 222 HE ARG 28 HE ARG 28 12.242 -5.410 9.410 223 HH11 ARG 28 HH11 ARG 28 15.323 -6.032 7.801 224 HH12 ARG 28 HH12 ARG 28 16.170 -4.863 8.711 225 HH21 ARG 28 HH21 ARG 28 13.434 -3.824 10.654 226 HH22 ARG 28 HH22 ARG 28 15.090 -3.584 10.339 227 H ILE 29 HN ILE 29 7.486 -6.562 5.192 228 HA ILE 29 HA ILE 29 8.623 -3.933 4.625 229 HB ILE 29 HB ILE 29 6.276 -5.305 3.313 230 HG12 ILE 29 HG12 ILE 29 8.949 -4.413 2.189 231 HG13 ILE 29 HG11 ILE 29 8.472 -6.066 2.533 232 HG21 ILE 29 HG21 ILE 29 5.785 -2.956 3.625 233 HG22 ILE 29 HG22 ILE 29 6.117 -3.255 1.914 234 HG23 ILE 29 HG23 ILE 29 7.343 -2.506 2.946 235 HD11 ILE 29 HD11 ILE 29 8.360 -5.505 0.155 236 HD12 ILE 29 HD12 ILE 29 7.131 -4.287 0.518 237 HD13 ILE 29 HD13 ILE 29 6.811 -5.997 0.832 238 H ALA 30 HN ALA 30 8.040 -2.546 6.107 239 HA ALA 30 HA ALA 30 5.744 -3.080 7.768 240 HB1 ALA 30 HB1 ALA 30 6.542 -1.176 9.080 241 HB2 ALA 30 HB2 ALA 30 7.778 -0.869 7.857 242 HB3 ALA 30 HB3 ALA 30 7.826 -2.359 8.806 243 H TYR 31 HN TYR 31 3.838 -2.252 7.376 244 HA TYR 31 HA TYR 31 3.613 0.193 5.789 245 HB2 TYR 31 HB2 TYR 31 1.722 -0.857 4.522 246 HB3 TYR 31 HB1 TYR 31 3.281 -1.611 4.206 247 HD1 TYR 31 HD1 TYR 31 0.041 -2.059 5.949 248 HD2 TYR 31 HD2 TYR 31 3.666 -3.907 4.716 249 HE1 TYR 31 HE1 TYR 31 -0.879 -4.245 6.544 250 HE2 TYR 31 HE2 TYR 31 2.748 -6.107 5.309 251 HH TYR 31 HH TYR 31 1.066 -6.988 6.828 252 H ASP 32 HN ASP 32 1.611 1.303 6.127 253 HA ASP 32 HA ASP 32 0.195 0.380 8.511 254 HB2 ASP 32 HB2 ASP 32 -0.257 2.636 9.196 255 HB3 ASP 32 HB1 ASP 32 1.464 2.559 8.862 256 H GLU 33 HN GLU 33 -1.916 0.132 8.359 257 HA GLU 33 HA GLU 33 -3.060 0.545 5.715 258 HB2 GLU 33 HB2 GLU 33 -4.885 -0.971 6.515 259 HB3 GLU 33 HB1 GLU 33 -3.293 -1.702 6.424 260 HG2 GLU 33 HG2 GLU 33 -3.037 -1.546 8.803 261 HG3 GLU 33 HG1 GLU 33 -4.566 -0.675 8.940 262 H VAL 34 HN VAL 34 -5.148 1.422 5.481 263 HA VAL 34 HA VAL 34 -5.438 3.665 7.318 264 HB VAL 34 HB VAL 34 -6.768 3.407 4.610 265 HG11 VAL 34 HG11 VAL 34 -6.219 5.845 6.292 266 HG12 VAL 34 HG12 VAL 34 -7.787 5.076 6.065 267 HG13 VAL 34 HG13 VAL 34 -6.970 5.827 4.694 268 HG21 VAL 34 HG21 VAL 34 -4.942 4.800 3.752 269 HG22 VAL 34 HG22 VAL 34 -4.360 3.246 4.357 270 HG23 VAL 34 HG23 VAL 34 -4.147 4.700 5.326 271 H ASP 35 HN ASP 35 -7.223 4.330 8.209 272 HA ASP 35 HA ASP 35 -9.070 2.573 9.356 273 HB2 ASP 35 HB2 ASP 35 -8.173 4.660 10.359 274 HB3 ASP 35 HB1 ASP 35 -9.155 5.593 9.247 275 H ILE 36 HN ILE 36 -9.252 3.513 6.237 276 HA ILE 36 HA ILE 36 -11.665 4.748 5.669 277 HB ILE 36 HB ILE 36 -11.723 3.763 3.459 278 HG12 ILE 36 HG12 ILE 36 -9.332 2.113 4.175 279 HG13 ILE 36 HG11 ILE 36 -10.972 1.472 4.284 280 HG21 ILE 36 HG21 ILE 36 -10.241 5.603 3.817 281 HG22 ILE 36 HG22 ILE 36 -9.527 4.476 2.669 282 HG23 ILE 36 HG23 ILE 36 -8.953 4.518 4.340 283 HD11 ILE 36 HD11 ILE 36 -11.317 1.833 1.952 284 HD12 ILE 36 HD12 ILE 36 -9.830 0.911 2.165 285 HD13 ILE 36 HD13 ILE 36 -9.782 2.661 1.816 286 H GLU 37 HN GLU 37 -11.434 1.515 6.811 287 HA GLU 37 HA GLU 37 -13.810 0.469 5.833 288 HB2 GLU 37 HB2 GLU 37 -13.769 -1.027 7.788 289 HB3 GLU 37 HB1 GLU 37 -12.199 -0.869 7.004 290 HG2 GLU 37 HG2 GLU 37 -11.410 0.577 8.753 291 HG3 GLU 37 HG1 GLU 37 -13.001 0.588 9.511 292 H HIS 38 HN HIS 38 -13.267 2.807 8.349 293 HA HIS 38 HA HIS 38 -16.168 3.192 8.370 294 HB2 HIS 38 HB2 HIS 38 -15.387 2.208 10.558 295 HB3 HIS 38 HB1 HIS 38 -14.414 3.655 10.807 296 HD1 HIS 38 HD1 HIS 38 -18.036 2.497 10.778 297 HD2 HIS 38 HD2 HIS 38 -15.817 5.919 11.610 298 HE1 HIS 38 HE1 HIS 38 -19.616 4.116 11.817 299 H ASN 39 HN ASN 39 -13.009 4.612 8.155 300 HA ASN 39 HA ASN 39 -14.101 7.304 8.262 301 HB2 ASN 39 HB2 ASN 39 -11.842 6.841 9.209 302 HB3 ASN 39 HB1 ASN 39 -11.280 6.405 7.605 303 HD21 ASN 39 HD21 ASN 39 -10.764 8.017 6.180 304 HD22 ASN 39 HD22 ASN 39 -10.681 9.691 6.618 305 H ARG 40 HN ARG 40 -15.533 7.336 6.559 306 HA ARG 40 HA ARG 40 -14.927 6.348 3.995 307 HB2 ARG 40 HB2 ARG 40 -16.989 7.247 3.226 308 HB3 ARG 40 HB1 ARG 40 -17.246 6.626 4.844 309 HG2 ARG 40 HG2 ARG 40 -17.317 8.827 5.759 310 HG3 ARG 40 HG1 ARG 40 -16.759 9.534 4.240 311 HD2 ARG 40 HD2 ARG 40 -19.389 8.147 4.744 312 HD3 ARG 40 HD1 ARG 40 -19.112 9.868 4.426 313 HE ARG 40 HE ARG 40 -18.043 8.790 2.242 314 HH11 ARG 40 HH11 ARG 40 -21.212 8.284 3.699 315 HH12 ARG 40 HH12 ARG 40 -21.914 7.648 2.270 316 HH21 ARG 40 HH21 ARG 40 -18.967 7.942 0.337 317 HH22 ARG 40 HH22 ARG 40 -20.598 7.452 0.285 318 H ALA 41 HN ALA 41 -14.280 9.395 5.452 319 HA ALA 41 HA ALA 41 -14.186 11.009 3.171 320 HB1 ALA 41 HB1 ALA 41 -12.791 12.521 4.487 321 HB2 ALA 41 HB2 ALA 41 -12.505 11.241 5.672 322 HB3 ALA 41 HB3 ALA 41 -14.130 11.889 5.441 323 H ALA 42 HN ALA 42 -11.859 8.804 4.467 324 HA ALA 42 HA ALA 42 -9.903 9.497 2.422 325 HB1 ALA 42 HB1 ALA 42 -9.815 7.352 4.553 326 HB2 ALA 42 HB2 ALA 42 -9.050 8.932 4.636 327 HB3 ALA 42 HB3 ALA 42 -8.494 7.746 3.453 328 H ALA 43 HN ALA 43 -12.502 7.351 2.880 329 HA ALA 43 HA ALA 43 -11.654 5.313 1.065 330 HB1 ALA 43 HB1 ALA 43 -13.873 4.400 1.321 331 HB2 ALA 43 HB2 ALA 43 -14.446 5.908 2.006 332 HB3 ALA 43 HB3 ALA 43 -13.302 4.922 2.913 333 H GLU 44 HN GLU 44 -13.638 8.222 0.854 334 HA GLU 44 HA GLU 44 -14.396 7.905 -1.835 335 HB2 GLU 44 HB2 GLU 44 -14.295 10.184 0.045 336 HB3 GLU 44 HB1 GLU 44 -14.226 10.590 -1.661 337 HG2 GLU 44 HG2 GLU 44 -16.493 10.707 -0.852 338 HG3 GLU 44 HG1 GLU 44 -16.330 9.421 -2.035 339 H PHE 45 HN PHE 45 -11.473 9.107 -0.358 340 HA PHE 45 HA PHE 45 -10.235 10.161 -2.655 341 HB2 PHE 45 HB2 PHE 45 -9.327 10.578 -0.405 342 HB3 PHE 45 HB1 PHE 45 -8.992 8.866 -0.210 343 HD1 PHE 45 HD2 PHE 45 -8.061 11.857 -2.204 344 HD2 PHE 45 HD1 PHE 45 -6.955 7.949 -0.913 345 HE1 PHE 45 HE2 PHE 45 -5.814 12.181 -3.152 346 HE2 PHE 45 HE1 PHE 45 -4.702 8.271 -1.858 347 HZ PHE 45 HZ PHE 45 -4.133 10.391 -2.981 348 H VAL 46 HN VAL 46 -10.284 6.953 -1.244 349 HA VAL 46 HA VAL 46 -8.597 5.561 -2.976 350 HB VAL 46 HB VAL 46 -11.117 4.581 -1.598 351 HG11 VAL 46 HG11 VAL 46 -8.839 3.004 -2.775 352 HG12 VAL 46 HG12 VAL 46 -10.492 3.051 -3.372 353 HG13 VAL 46 HG13 VAL 46 -10.141 2.336 -1.793 354 HG21 VAL 46 HG21 VAL 46 -9.600 3.731 0.100 355 HG22 VAL 46 HG22 VAL 46 -9.454 5.485 -0.068 356 HG23 VAL 46 HG23 VAL 46 -8.235 4.427 -0.766 357 H GLY 47 HN GLY 47 -12.046 6.202 -3.184 358 HA2 GLY 47 HA2 GLY 47 -12.476 4.867 -5.635 359 HA3 GLY 47 HA1 GLY 47 -13.521 6.095 -4.928 360 H SER 48 HN SER 48 -12.045 8.274 -4.854 361 HA SER 48 HA SER 48 -12.283 9.271 -7.424 362 HB2 SER 48 HB2 SER 48 -12.438 10.580 -5.314 363 HB3 SER 48 HB1 SER 48 -10.689 10.483 -5.169 364 HG SER 48 HG SER 48 -12.057 12.265 -6.420 365 H VAL 49 HN VAL 49 -9.337 8.151 -5.750 366 HA VAL 49 HA VAL 49 -7.652 9.173 -7.785 367 HB VAL 49 HB VAL 49 -6.879 8.716 -5.454 368 HG11 VAL 49 HG11 VAL 49 -6.842 5.822 -6.263 369 HG12 VAL 49 HG12 VAL 49 -7.866 6.570 -5.037 370 HG13 VAL 49 HG13 VAL 49 -6.121 6.496 -4.802 371 HG21 VAL 49 HG21 VAL 49 -5.237 7.442 -7.635 372 HG22 VAL 49 HG22 VAL 49 -4.623 7.941 -6.060 373 HG23 VAL 49 HG23 VAL 49 -5.247 9.146 -7.184 374 H ASN 50 HN ASN 50 -9.467 6.275 -7.539 375 HA ASN 50 HA ASN 50 -8.058 5.097 -9.823 376 HB2 ASN 50 HB2 ASN 50 -10.263 4.003 -8.060 377 HB3 ASN 50 HB1 ASN 50 -9.713 3.183 -9.516 378 HD21 ASN 50 HD21 ASN 50 -8.978 3.950 -6.206 379 HD22 ASN 50 HD22 ASN 50 -7.578 2.955 -6.095 380 H GLY 51 HN GLY 51 -10.960 6.733 -9.015 381 HA2 GLY 51 HA2 GLY 51 -11.545 7.975 -11.250 382 HA3 GLY 51 HA1 GLY 51 -12.127 6.357 -11.643 383 H GLY 52 HN GLY 52 -13.332 5.383 -9.770 384 HA2 GLY 52 HA2 GLY 52 -14.910 7.174 -8.150 385 HA3 GLY 52 HA1 GLY 52 -15.810 6.399 -9.453 386 H ASN 53 HN ASN 53 -14.285 3.973 -9.428 387 HA ASN 53 HA ASN 53 -15.679 2.665 -7.318 388 HB2 ASN 53 HB2 ASN 53 -14.823 0.593 -8.224 389 HB3 ASN 53 HB1 ASN 53 -15.394 1.609 -9.537 390 HD21 ASN 53 HD21 ASN 53 -13.525 -0.629 -9.491 391 HD22 ASN 53 HD22 ASN 53 -12.057 -0.050 -10.185 392 H ARG 54 HN ARG 54 -14.809 1.525 -5.600 393 HA ARG 54 HA ARG 54 -12.338 2.686 -4.648 394 HB2 ARG 54 HB2 ARG 54 -14.416 0.993 -3.255 395 HB3 ARG 54 HB1 ARG 54 -12.941 1.516 -2.481 396 HG2 ARG 54 HG2 ARG 54 -13.663 3.864 -2.750 397 HG3 ARG 54 HG1 ARG 54 -15.157 3.294 -3.504 398 HD2 ARG 54 HD2 ARG 54 -15.715 2.055 -1.458 399 HD3 ARG 54 HD1 ARG 54 -14.227 2.617 -0.713 400 HE ARG 54 HE ARG 54 -15.685 4.861 -1.500 401 HH11 ARG 54 HH11 ARG 54 -15.986 2.200 0.860 402 HH12 ARG 54 HH12 ARG 54 -16.914 3.111 1.954 403 HH21 ARG 54 HH21 ARG 54 -16.979 6.112 0.120 404 HH22 ARG 54 HH22 ARG 54 -17.501 5.286 1.511 405 H THR 55 HN THR 55 -10.903 1.514 -6.060 406 HA THR 55 HA THR 55 -10.659 -1.330 -5.680 407 HB THR 55 HB THR 55 -8.499 0.550 -6.724 408 HG1 THR 55 HG1 THR 55 -9.452 0.359 -8.735 409 HG21 THR 55 HG21 THR 55 -7.848 -1.738 -6.231 410 HG22 THR 55 HG22 THR 55 -7.850 -1.458 -7.985 411 HG23 THR 55 HG23 THR 55 -9.170 -2.351 -7.224 412 H VAL 56 HN VAL 56 -9.759 -2.192 -3.874 413 HA VAL 56 HA VAL 56 -9.080 -0.230 -1.948 414 HB VAL 56 HB VAL 56 -8.831 -3.086 -1.260 415 HG11 VAL 56 HG11 VAL 56 -9.705 -0.646 0.261 416 HG12 VAL 56 HG12 VAL 56 -8.092 -1.289 0.244 417 HG13 VAL 56 HG13 VAL 56 -9.408 -2.250 0.951 418 HG21 VAL 56 HG21 VAL 56 -11.327 -1.448 -1.356 419 HG22 VAL 56 HG22 VAL 56 -11.166 -3.079 -0.667 420 HG23 VAL 56 HG23 VAL 56 -10.964 -2.816 -2.418 421 HA PRO 57 HA PRO 57 -5.237 -2.267 -1.177 422 HB2 PRO 57 HB2 PRO 57 -3.747 -3.983 -2.680 423 HB3 PRO 57 HB1 PRO 57 -5.020 -4.486 -1.562 424 HG2 PRO 57 HG2 PRO 57 -5.277 -3.933 -4.505 425 HG3 PRO 57 HG1 PRO 57 -5.807 -5.374 -3.610 426 HD2 PRO 57 HD2 PRO 57 -7.541 -3.461 -4.179 427 HD3 PRO 57 HD1 PRO 57 -7.481 -4.337 -2.602 428 H THR 58 HN THR 58 -5.126 -0.109 -2.106 429 HA THR 58 HA THR 58 -3.353 0.422 -4.331 430 HB THR 58 HB THR 58 -5.385 2.082 -2.826 431 HG1 THR 58 HG1 THR 58 -6.736 0.972 -4.065 432 HG21 THR 58 HG21 THR 58 -5.224 3.620 -4.744 433 HG22 THR 58 HG22 THR 58 -3.963 2.617 -5.440 434 HG23 THR 58 HG23 THR 58 -3.661 3.490 -3.920 435 H VAL 59 HN VAL 59 -1.359 0.952 -3.677 436 HA VAL 59 HA VAL 59 -0.992 1.593 -0.859 437 HB VAL 59 HB VAL 59 0.215 -0.421 -1.717 438 HG11 VAL 59 HG11 VAL 59 0.502 0.143 -3.956 439 HG12 VAL 59 HG12 VAL 59 2.087 -0.153 -3.210 440 HG13 VAL 59 HG13 VAL 59 1.511 1.507 -3.494 441 HG21 VAL 59 HG21 VAL 59 2.424 0.128 -0.853 442 HG22 VAL 59 HG22 VAL 59 1.177 0.842 0.161 443 HG23 VAL 59 HG23 VAL 59 2.058 1.841 -0.982 444 H LYS 60 HN LYS 60 0.040 3.356 -0.219 445 HA LYS 60 HA LYS 60 0.594 5.432 -2.217 446 HB2 LYS 60 HB2 LYS 60 -1.261 5.786 -0.560 447 HB3 LYS 60 HB1 LYS 60 -0.079 5.632 0.721 448 HG2 LYS 60 HG2 LYS 60 0.961 7.691 0.039 449 HG3 LYS 60 HG1 LYS 60 -0.109 7.800 -1.369 450 HD2 LYS 60 HD2 LYS 60 -2.063 7.822 0.152 451 HD3 LYS 60 HD1 LYS 60 -0.964 7.807 1.525 452 HE2 LYS 60 HE2 LYS 60 -1.080 9.948 -0.583 453 HE3 LYS 60 HE1 LYS 60 -1.877 10.045 0.984 454 HZ1 LYS 60 HZ1 LYS 60 1.055 9.859 0.520 455 HZ2 LYS 60 HZ2 LYS 60 0.342 9.913 2.031 456 HZ3 LYS 60 HZ3 LYS 60 0.228 11.224 1.002 457 H PHE 61 HN PHE 61 2.700 5.579 -2.571 458 HA PHE 61 HA PHE 61 4.664 4.624 -0.627 459 HB2 PHE 61 HB2 PHE 61 4.898 5.524 -3.496 460 HB3 PHE 61 HB1 PHE 61 6.306 5.216 -2.495 461 HD1 PHE 61 HD2 PHE 61 6.880 2.986 -1.829 462 HD2 PHE 61 HD1 PHE 61 3.519 3.728 -4.312 463 HE1 PHE 61 HE2 PHE 61 6.786 0.609 -2.407 464 HE2 PHE 61 HE1 PHE 61 3.437 1.348 -4.907 465 HZ PHE 61 HZ PHE 61 5.072 -0.219 -3.953 466 H ALA 62 HN ALA 62 6.772 5.981 -0.639 467 HA ALA 62 HA ALA 62 6.260 8.483 0.559 468 HB1 ALA 62 HB1 ALA 62 8.692 8.729 0.653 469 HB2 ALA 62 HB2 ALA 62 8.880 7.387 -0.471 470 HB3 ALA 62 HB3 ALA 62 8.211 7.102 1.139 471 H ASP 63 HN ASP 63 6.499 7.537 -2.654 472 HA ASP 63 HA ASP 63 7.417 9.838 -4.009 473 HB2 ASP 63 HB2 ASP 63 5.285 7.839 -4.768 474 HB3 ASP 63 HB1 ASP 63 5.914 9.060 -5.844 475 H GLY 64 HN GLY 64 4.555 9.154 -2.209 476 HA2 GLY 64 HA2 GLY 64 2.874 10.633 -1.608 477 HA3 GLY 64 HA1 GLY 64 3.418 11.734 -2.867 478 H SER 65 HN SER 65 3.418 9.074 -4.559 479 HA SER 65 HA SER 65 0.737 9.502 -5.512 480 HB2 SER 65 HB2 SER 65 1.570 8.250 -7.513 481 HB3 SER 65 HB1 SER 65 2.495 9.704 -7.163 482 HG SER 65 HG SER 65 3.194 7.061 -7.063 483 H THR 66 HN THR 66 -0.385 7.486 -6.313 484 HA THR 66 HA THR 66 -0.099 5.356 -4.332 485 HB THR 66 HB THR 66 -2.603 5.048 -5.078 486 HG1 THR 66 HG1 THR 66 -2.505 6.660 -6.719 487 HG21 THR 66 HG21 THR 66 -1.889 5.664 -2.800 488 HG22 THR 66 HG22 THR 66 -3.309 6.597 -3.287 489 HG23 THR 66 HG23 THR 66 -1.715 7.343 -3.307 490 H LEU 67 HN LEU 67 -0.042 3.268 -5.042 491 HA LEU 67 HA LEU 67 -0.226 2.857 -7.940 492 HB2 LEU 67 HB2 LEU 67 2.102 2.620 -7.027 493 HB3 LEU 67 HB1 LEU 67 1.530 1.327 -5.999 494 HG LEU 67 HG LEU 67 1.004 -0.016 -8.030 495 HD11 LEU 67 HD11 LEU 67 2.306 2.278 -9.481 496 HD12 LEU 67 HD12 LEU 67 0.646 1.695 -9.688 497 HD13 LEU 67 HD13 LEU 67 2.003 0.696 -10.175 498 HD21 LEU 67 HD21 LEU 67 3.153 -0.350 -6.894 499 HD22 LEU 67 HD22 LEU 67 3.864 0.950 -7.848 500 HD23 LEU 67 HD23 LEU 67 3.323 -0.527 -8.636 501 H THR 68 HN THR 68 -2.059 1.855 -8.341 502 HA THR 68 HA THR 68 -3.482 0.379 -6.379 503 HB THR 68 HB THR 68 -4.048 0.726 -9.320 504 HG1 THR 68 HG1 THR 68 -5.563 2.338 -8.033 505 HG21 THR 68 HG21 THR 68 -5.344 -1.036 -8.226 506 HG22 THR 68 HG22 THR 68 -6.371 0.347 -8.617 507 HG23 THR 68 HG23 THR 68 -5.825 0.096 -6.964 508 H ASN 69 HN ASN 69 -3.190 -1.698 -5.943 509 HA ASN 69 HA ASN 69 -2.739 -3.886 -6.035 510 HB2 ASN 69 HB2 ASN 69 -4.775 -3.807 -7.469 511 HB3 ASN 69 HB1 ASN 69 -3.753 -3.701 -8.892 512 HD21 ASN 69 HD21 ASN 69 -5.770 -5.651 -8.249 513 HD22 ASN 69 HD22 ASN 69 -4.992 -7.184 -8.192 514 HA PRO 70 HA PRO 70 1.229 -3.782 -8.252 515 HB2 PRO 70 HB2 PRO 70 2.874 -3.267 -6.264 516 HB3 PRO 70 HB1 PRO 70 1.851 -1.980 -6.919 517 HG2 PRO 70 HG2 PRO 70 1.541 -3.544 -4.398 518 HG3 PRO 70 HG1 PRO 70 1.195 -1.828 -4.693 519 HD2 PRO 70 HD2 PRO 70 -0.655 -3.970 -4.723 520 HD3 PRO 70 HD1 PRO 70 -0.955 -2.312 -5.285 521 H SER 71 HN SER 71 2.995 -5.309 -8.079 522 HA SER 71 HA SER 71 2.311 -7.772 -6.741 523 HB2 SER 71 HB2 SER 71 4.809 -7.058 -8.300 524 HB3 SER 71 HB1 SER 71 4.182 -8.676 -7.974 525 HG SER 71 HG SER 71 2.528 -8.342 -9.339 526 H ALA 72 HN ALA 72 3.722 -8.731 -5.106 527 HA ALA 72 HA ALA 72 4.453 -6.923 -3.081 528 HB1 ALA 72 HB1 ALA 72 5.230 -9.818 -3.355 529 HB2 ALA 72 HB2 ALA 72 3.726 -9.216 -2.654 530 HB3 ALA 72 HB3 ALA 72 5.264 -8.866 -1.869 531 H ASP 73 HN ASP 73 6.386 -8.724 -5.368 532 HA ASP 73 HA ASP 73 8.933 -7.997 -4.413 533 HB2 ASP 73 HB2 ASP 73 8.678 -9.851 -5.937 534 HB3 ASP 73 HB1 ASP 73 7.999 -8.799 -7.171 535 H GLU 74 HN GLU 74 6.747 -6.483 -6.656 536 HA GLU 74 HA GLU 74 8.426 -4.409 -7.596 537 HB2 GLU 74 HB2 GLU 74 5.432 -4.607 -7.348 538 HB3 GLU 74 HB1 GLU 74 6.252 -3.269 -8.136 539 HG2 GLU 74 HG2 GLU 74 6.511 -6.145 -8.952 540 HG3 GLU 74 HG1 GLU 74 5.400 -4.985 -9.693 541 H VAL 75 HN VAL 75 6.127 -4.638 -4.942 542 HA VAL 75 HA VAL 75 6.337 -1.999 -4.049 543 HB VAL 75 HB VAL 75 5.728 -4.475 -2.404 544 HG11 VAL 75 HG11 VAL 75 5.156 -1.567 -1.818 545 HG12 VAL 75 HG12 VAL 75 6.337 -2.579 -0.993 546 HG13 VAL 75 HG13 VAL 75 4.616 -2.941 -0.852 547 HG21 VAL 75 HG21 VAL 75 3.887 -2.537 -3.789 548 HG22 VAL 75 HG22 VAL 75 3.381 -3.870 -2.749 549 HG23 VAL 75 HG23 VAL 75 4.200 -4.202 -4.274 550 H LYS 76 HN LYS 76 8.124 -4.931 -3.185 551 HA LYS 76 HA LYS 76 9.677 -3.790 -1.146 552 HB2 LYS 76 HB2 LYS 76 9.434 -6.262 -1.546 553 HB3 LYS 76 HB1 LYS 76 10.472 -6.088 -2.949 554 HG2 LYS 76 HG2 LYS 76 11.717 -6.970 -1.049 555 HG3 LYS 76 HG1 LYS 76 12.317 -5.368 -1.483 556 HD2 LYS 76 HD2 LYS 76 11.011 -4.376 0.331 557 HD3 LYS 76 HD1 LYS 76 10.355 -5.966 0.728 558 HE2 LYS 76 HE2 LYS 76 13.281 -5.233 0.863 559 HE3 LYS 76 HE1 LYS 76 12.176 -5.214 2.237 560 HZ1 LYS 76 HZ1 LYS 76 12.941 -7.583 0.616 561 HZ2 LYS 76 HZ2 LYS 76 11.857 -7.589 1.933 562 HZ3 LYS 76 HZ3 LYS 76 13.464 -7.201 2.165 563 H ALA 77 HN ALA 77 10.341 -4.201 -4.614 564 HA ALA 77 HA ALA 77 12.937 -3.081 -4.519 565 HB1 ALA 77 HB1 ALA 77 11.070 -3.322 -6.875 566 HB2 ALA 77 HB2 ALA 77 12.186 -4.571 -6.320 567 HB3 ALA 77 HB3 ALA 77 12.810 -3.046 -6.951 568 H LYS 78 HN LYS 78 9.774 -1.632 -4.884 569 HA LYS 78 HA LYS 78 10.934 0.954 -5.559 570 HB2 LYS 78 HB2 LYS 78 8.386 -0.150 -5.865 571 HB3 LYS 78 HB1 LYS 78 8.186 0.962 -4.522 572 HG2 LYS 78 HG2 LYS 78 9.122 1.640 -7.305 573 HG3 LYS 78 HG1 LYS 78 7.593 2.074 -6.560 574 HD2 LYS 78 HD2 LYS 78 8.740 3.486 -4.956 575 HD3 LYS 78 HD1 LYS 78 10.301 3.006 -5.606 576 HE2 LYS 78 HE2 LYS 78 9.795 5.141 -6.517 577 HE3 LYS 78 HE1 LYS 78 9.573 3.967 -7.812 578 HZ1 LYS 78 HZ1 LYS 78 7.483 5.268 -6.176 579 HZ2 LYS 78 HZ2 LYS 78 7.160 4.052 -7.339 580 HZ3 LYS 78 HZ3 LYS 78 7.810 5.531 -7.804 581 H LEU 79 HN LEU 79 9.701 -0.702 -2.703 582 HA LEU 79 HA LEU 79 9.644 1.416 -0.915 583 HB2 LEU 79 HB2 LEU 79 8.881 -0.993 -0.408 584 HB3 LEU 79 HB1 LEU 79 10.566 -1.381 -0.276 585 HG LEU 79 HG LEU 79 10.695 0.340 1.567 586 HD11 LEU 79 HD11 LEU 79 8.621 0.693 2.839 587 HD12 LEU 79 HD12 LEU 79 7.701 0.085 1.466 588 HD13 LEU 79 HD13 LEU 79 8.651 1.566 1.319 589 HD21 LEU 79 HD21 LEU 79 10.860 -2.019 2.005 590 HD22 LEU 79 HD22 LEU 79 9.110 -2.190 1.923 591 HD23 LEU 79 HD23 LEU 79 9.847 -1.271 3.243 592 H VAL 80 HN VAL 80 12.259 -0.804 -1.698 593 HA VAL 80 HA VAL 80 14.113 0.190 0.134 594 HB VAL 80 HB VAL 80 15.838 -1.048 -1.135 595 HG11 VAL 80 HG11 VAL 80 14.872 -3.237 -0.927 596 HG12 VAL 80 HG12 VAL 80 13.254 -2.521 -0.881 597 HG13 VAL 80 HG13 VAL 80 14.395 -2.203 0.430 598 HG21 VAL 80 HG21 VAL 80 15.171 -0.597 -3.389 599 HG22 VAL 80 HG22 VAL 80 13.633 -1.401 -3.123 600 HG23 VAL 80 HG23 VAL 80 15.130 -2.346 -3.118 601 H LYS 81 HN LYS 81 13.425 1.259 -3.120 602 HA LYS 81 HA LYS 81 15.778 2.909 -3.154 603 HB2 LYS 81 HB2 LYS 81 14.967 3.760 -5.347 604 HB3 LYS 81 HB1 LYS 81 15.060 2.008 -5.261 605 HG2 LYS 81 HG2 LYS 81 12.744 1.779 -5.129 606 HG3 LYS 81 HG1 LYS 81 12.516 3.504 -4.850 607 HD2 LYS 81 HD2 LYS 81 11.958 2.810 -7.161 608 HD3 LYS 81 HD1 LYS 81 13.242 4.010 -7.095 609 HE2 LYS 81 HE2 LYS 81 13.797 2.348 -8.707 610 HE3 LYS 81 HE1 LYS 81 14.886 2.222 -7.325 611 HZ1 LYS 81 HZ1 LYS 81 14.204 0.065 -8.092 612 HZ2 LYS 81 HZ2 LYS 81 12.578 0.431 -7.929 613 HZ3 LYS 81 HZ3 LYS 81 13.569 0.290 -6.557 614 H ILE 82 HN ILE 82 12.400 3.355 -2.393 615 HA ILE 82 HA ILE 82 12.837 6.187 -2.310 616 HB ILE 82 HB ILE 82 10.445 6.464 -1.753 617 HG12 ILE 82 HG12 ILE 82 8.922 4.420 -2.093 618 HG13 ILE 82 HG11 ILE 82 10.350 3.424 -1.889 619 HG21 ILE 82 HG21 ILE 82 9.585 5.717 -3.940 620 HG22 ILE 82 HG22 ILE 82 11.012 4.704 -4.135 621 HG23 ILE 82 HG23 ILE 82 11.187 6.446 -4.059 622 HD11 ILE 82 HD11 ILE 82 9.032 3.497 0.139 623 HD12 ILE 82 HD12 ILE 82 9.137 5.255 0.173 624 HD13 ILE 82 HD13 ILE 82 10.590 4.283 0.405 625 H ALA 83 HN ALA 83 13.226 3.671 -0.217 626 HA ALA 83 HA ALA 83 12.992 5.267 2.182 627 HB1 ALA 83 HB1 ALA 83 12.525 2.857 2.280 628 HB2 ALA 83 HB2 ALA 83 13.885 3.277 3.324 629 HB3 ALA 83 HB3 ALA 83 14.175 2.515 1.760 630 H GLY 84 HN GLY 84 15.134 4.975 -0.308 631 HA2 GLY 84 HA2 GLY 84 17.012 6.329 -0.541 632 HA3 GLY 84 HA1 GLY 84 17.123 6.424 1.210 633 H LEU 85 HN LEU 85 18.968 5.635 1.793 634 HA LEU 85 HA LEU 85 20.076 3.312 0.428 635 HB2 LEU 85 HB2 LEU 85 21.446 5.337 0.774 636 HB3 LEU 85 HB1 LEU 85 21.269 5.154 2.502 637 HG LEU 85 HG LEU 85 22.480 2.969 2.311 638 HD11 LEU 85 HD11 LEU 85 22.072 2.511 -0.027 639 HD12 LEU 85 HD12 LEU 85 23.803 2.569 0.299 640 HD13 LEU 85 HD13 LEU 85 23.007 3.931 -0.489 641 HD21 LEU 85 HD21 LEU 85 23.578 5.014 3.035 642 HD22 LEU 85 HD22 LEU 85 23.955 5.413 1.358 643 HD23 LEU 85 HD23 LEU 85 24.669 3.985 2.113 644 H GLU 86 HN GLU 86 18.161 4.002 3.059 645 HA GLU 86 HA GLU 86 19.292 2.223 4.981 646 HB2 GLU 86 HB2 GLU 86 16.526 3.444 4.917 647 HB3 GLU 86 HB1 GLU 86 17.194 2.544 6.267 648 HG2 GLU 86 HG2 GLU 86 18.983 4.266 6.440 649 HG3 GLU 86 HG1 GLU 86 18.138 5.194 5.201 650 H HIS 87 HN HIS 87 19.520 0.289 4.027 651 HA HIS 87 HA HIS 87 17.025 -1.244 3.662 652 HB2 HIS 87 HB2 HIS 87 18.109 -0.763 1.470 653 HB3 HIS 87 HB1 HIS 87 19.576 -1.543 2.045 654 HD1 HIS 87 HD1 HIS 87 19.791 -3.838 1.035 655 HD2 HIS 87 HD2 HIS 87 15.846 -2.810 1.818 656 HE1 HIS 87 HE1 HIS 87 18.404 -5.774 0.270 657 H HIS 88 HN HIS 88 19.767 -0.853 5.448 658 HA HIS 88 HA HIS 88 20.087 -3.716 5.985 659 HB2 HIS 88 HB2 HIS 88 21.989 -1.459 6.575 660 HB3 HIS 88 HB1 HIS 88 22.289 -3.157 6.927 661 HD1 HIS 88 HD1 HIS 88 22.562 -0.618 4.254 662 HD2 HIS 88 HD2 HIS 88 22.738 -4.757 4.608 663 HE1 HIS 88 HE1 HIS 88 23.565 -1.451 2.125 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 3.912 6.197 7.596 2 H2 MET 1 HT2 MET 1 3.006 6.335 6.198 3 H3 MET 1 HT3 MET 1 2.406 5.434 7.474 4 HA MET 1 HA MET 1 2.964 8.341 7.360 5 HB2 MET 1 HB2 MET 1 0.601 8.785 7.365 6 HB3 MET 1 HB1 MET 1 0.929 7.643 6.076 7 HG2 MET 1 HG2 MET 1 0.105 5.821 7.523 8 HG3 MET 1 HG1 MET 1 -0.264 7.004 8.769 9 HE1 MET 1 HE1 MET 1 -3.080 9.124 6.880 10 HE2 MET 1 HE2 MET 1 -1.350 9.426 6.756 11 HE3 MET 1 HE3 MET 1 -2.068 9.041 8.321 12 H VAL 2 HN VAL 2 1.776 5.689 9.570 13 HA VAL 2 HA VAL 2 2.098 7.733 11.601 14 HB VAL 2 HB VAL 2 -0.200 6.901 11.640 15 HG11 VAL 2 HG11 VAL 2 0.064 4.677 10.753 16 HG12 VAL 2 HG12 VAL 2 -0.785 4.625 12.301 17 HG13 VAL 2 HG13 VAL 2 0.917 4.174 12.212 18 HG21 VAL 2 HG21 VAL 2 1.349 5.978 14.049 19 HG22 VAL 2 HG22 VAL 2 -0.387 6.294 14.002 20 HG23 VAL 2 HG23 VAL 2 0.757 7.610 13.747 21 H THR 3 HN THR 3 2.706 4.260 11.177 22 HA THR 3 HA THR 3 5.164 4.787 12.638 23 HB THR 3 HB THR 3 4.892 2.391 13.602 24 HG1 THR 3 HG1 THR 3 3.072 1.682 12.667 25 HG21 THR 3 HG21 THR 3 4.946 4.438 14.958 26 HG22 THR 3 HG22 THR 3 3.787 3.285 15.602 27 HG23 THR 3 HG23 THR 3 3.222 4.677 14.676 28 H ALA 4 HN ALA 4 3.555 3.268 10.030 29 HA ALA 4 HA ALA 4 5.984 1.829 9.380 30 HB1 ALA 4 HB1 ALA 4 4.610 0.775 7.650 31 HB2 ALA 4 HB2 ALA 4 3.237 1.770 8.137 32 HB3 ALA 4 HB3 ALA 4 3.898 0.572 9.249 33 H ALA 5 HN ALA 5 6.814 2.099 7.218 34 HA ALA 5 HA ALA 5 6.696 4.869 6.370 35 HB1 ALA 5 HB1 ALA 5 8.374 2.572 5.347 36 HB2 ALA 5 HB2 ALA 5 8.870 3.742 6.569 37 HB3 ALA 5 HB3 ALA 5 8.573 4.270 4.915 38 H LEU 6 HN LEU 6 4.900 2.224 5.815 39 HA LEU 6 HA LEU 6 4.298 3.004 3.058 40 HB2 LEU 6 HB2 LEU 6 5.451 0.741 3.396 41 HB3 LEU 6 HB1 LEU 6 3.955 0.249 4.189 42 HG LEU 6 HG LEU 6 2.768 0.790 2.112 43 HD11 LEU 6 HD11 LEU 6 5.586 1.082 1.129 44 HD12 LEU 6 HD12 LEU 6 4.331 2.334 1.162 45 HD13 LEU 6 HD13 LEU 6 4.170 0.946 0.094 46 HD21 LEU 6 HD21 LEU 6 4.978 -1.245 1.957 47 HD22 LEU 6 HD22 LEU 6 3.523 -1.226 0.966 48 HD23 LEU 6 HD23 LEU 6 3.402 -1.494 2.707 49 H THR 7 HN THR 7 2.123 3.324 2.700 50 HA THR 7 HA THR 7 0.323 2.622 4.888 51 HB THR 7 HB THR 7 0.236 5.035 3.076 52 HG1 THR 7 HG1 THR 7 1.164 4.555 5.693 53 HG21 THR 7 HG21 THR 7 -1.521 4.292 5.435 54 HG22 THR 7 HG22 THR 7 -2.021 4.284 3.752 55 HG23 THR 7 HG23 THR 7 -1.603 5.803 4.539 56 H ILE 8 HN ILE 8 -1.527 1.581 4.276 57 HA ILE 8 HA ILE 8 -1.962 1.284 1.416 58 HB ILE 8 HB ILE 8 -1.990 -0.934 3.482 59 HG12 ILE 8 HG12 ILE 8 -0.451 -0.584 0.906 60 HG13 ILE 8 HG11 ILE 8 0.209 -0.429 2.531 61 HG21 ILE 8 HG21 ILE 8 -2.778 -2.430 1.674 62 HG22 ILE 8 HG22 ILE 8 -3.008 -1.015 0.641 63 HG23 ILE 8 HG23 ILE 8 -3.918 -1.173 2.155 64 HD11 ILE 8 HD11 ILE 8 -0.894 -2.939 1.284 65 HD12 ILE 8 HD12 ILE 8 -0.235 -2.800 2.916 66 HD13 ILE 8 HD13 ILE 8 0.808 -2.545 1.518 67 H TYR 9 HN TYR 9 -3.958 1.537 0.766 68 HA TYR 9 HA TYR 9 -5.893 2.301 2.780 69 HB2 TYR 9 HB2 TYR 9 -5.665 2.746 -0.188 70 HB3 TYR 9 HB1 TYR 9 -7.160 3.116 0.628 71 HD1 TYR 9 HD1 TYR 9 -3.578 4.002 0.347 72 HD2 TYR 9 HD2 TYR 9 -7.358 5.119 1.953 73 HE1 TYR 9 HE1 TYR 9 -2.680 6.221 0.927 74 HE2 TYR 9 HE2 TYR 9 -6.467 7.337 2.529 75 HH TYR 9 HH TYR 9 -4.310 8.377 2.983 76 H THR 10 HN THR 10 -6.563 0.287 3.571 77 HA THR 10 HA THR 10 -8.024 -1.424 1.691 78 HB THR 10 HB THR 10 -7.429 -3.193 3.490 79 HG1 THR 10 HG1 THR 10 -6.370 -2.322 5.013 80 HG21 THR 10 HG21 THR 10 -6.505 -3.577 1.347 81 HG22 THR 10 HG22 THR 10 -5.134 -3.518 2.497 82 HG23 THR 10 HG23 THR 10 -5.492 -2.131 1.487 83 H THR 11 HN THR 11 -9.800 -2.578 2.678 84 HA THR 11 HA THR 11 -10.801 -1.457 5.190 85 HB THR 11 HB THR 11 -13.022 -2.323 4.382 86 HG1 THR 11 HG1 THR 11 -12.568 -2.487 1.777 87 HG21 THR 11 HG21 THR 11 -13.554 -0.608 2.864 88 HG22 THR 11 HG22 THR 11 -11.893 -0.484 2.289 89 HG23 THR 11 HG23 THR 11 -12.302 0.094 3.903 90 H SER 12 HN SER 12 -11.909 -3.246 6.530 91 HA SER 12 HA SER 12 -10.502 -5.695 6.440 92 HB2 SER 12 HB2 SER 12 -11.534 -4.741 8.504 93 HB3 SER 12 HB1 SER 12 -13.129 -5.005 7.810 94 HG SER 12 HG SER 12 -11.269 -6.808 8.806 95 H TRP 13 HN TRP 13 -12.968 -4.455 4.548 96 HA TRP 13 HA TRP 13 -14.416 -6.918 4.101 97 HB2 TRP 13 HB2 TRP 13 -14.844 -4.377 2.550 98 HB3 TRP 13 HB1 TRP 13 -16.007 -5.632 2.935 99 HD1 TRP 13 HD1 TRP 13 -15.318 -5.528 6.157 100 HE1 TRP 13 HE1 TRP 13 -16.261 -3.585 7.503 101 HE3 TRP 13 HE3 TRP 13 -16.237 -2.320 2.319 102 HZ2 TRP 13 HZ2 TRP 13 -17.293 -0.995 6.997 103 HZ3 TRP 13 HZ3 TRP 13 -17.222 -0.131 2.831 104 HH2 TRP 13 HH2 TRP 13 -17.735 0.511 5.126 105 H CYS 14 HN CYS 14 -12.396 -7.916 3.165 106 HA CYS 14 HA CYS 14 -12.352 -7.536 0.319 107 HB2 CYS 14 HB2 CYS 14 -10.790 -5.770 1.220 108 HB3 CYS 14 HB1 CYS 14 -9.802 -7.066 1.877 109 H GLY 15 HN GLY 15 -11.066 -9.157 -0.711 110 HA2 GLY 15 HA2 GLY 15 -10.455 -11.471 0.994 111 HA3 GLY 15 HA1 GLY 15 -11.294 -11.634 -0.548 112 H TYR 16 HN TYR 16 -9.882 -9.826 -2.107 113 HA TYR 16 HA TYR 16 -7.619 -11.425 -2.719 114 HB2 TYR 16 HB2 TYR 16 -8.868 -10.405 -4.556 115 HB3 TYR 16 HB1 TYR 16 -8.512 -8.791 -3.939 116 HD1 TYR 16 HD1 TYR 16 -6.941 -11.831 -5.388 117 HD2 TYR 16 HD2 TYR 16 -6.492 -7.695 -4.500 118 HE1 TYR 16 HE1 TYR 16 -4.814 -11.805 -6.597 119 HE2 TYR 16 HE2 TYR 16 -4.367 -7.665 -5.722 120 HH TYR 16 HH TYR 16 -3.398 -10.119 -7.748 121 H CYS 17 HN CYS 17 -8.041 -8.533 -0.871 122 HA CYS 17 HA CYS 17 -5.574 -7.335 -1.090 123 HB2 CYS 17 HB2 CYS 17 -7.338 -7.475 1.369 124 HB3 CYS 17 HB1 CYS 17 -6.028 -6.325 1.122 125 H LEU 18 HN LEU 18 -6.546 -10.120 0.783 126 HA LEU 18 HA LEU 18 -4.488 -10.490 2.569 127 HB2 LEU 18 HB2 LEU 18 -6.566 -11.769 2.431 128 HB3 LEU 18 HB1 LEU 18 -5.951 -12.584 1.011 129 HG LEU 18 HG LEU 18 -4.161 -13.588 2.359 130 HD11 LEU 18 HD11 LEU 18 -5.513 -12.180 4.666 131 HD12 LEU 18 HD12 LEU 18 -3.899 -11.830 4.044 132 HD13 LEU 18 HD13 LEU 18 -4.233 -13.380 4.805 133 HD21 LEU 18 HD21 LEU 18 -5.583 -15.062 3.644 134 HD22 LEU 18 HD22 LEU 18 -6.306 -14.680 2.063 135 HD23 LEU 18 HD23 LEU 18 -6.879 -13.864 3.527 136 H ARG 19 HN ARG 19 -4.563 -11.145 -0.889 137 HA ARG 19 HA ARG 19 -2.334 -12.840 -1.147 138 HB2 ARG 19 HB2 ARG 19 -4.090 -12.316 -2.915 139 HB3 ARG 19 HB1 ARG 19 -3.305 -10.776 -3.155 140 HG2 ARG 19 HG2 ARG 19 -1.923 -13.427 -3.628 141 HG3 ARG 19 HG1 ARG 19 -2.819 -12.568 -4.866 142 HD2 ARG 19 HD2 ARG 19 -0.430 -11.450 -3.392 143 HD3 ARG 19 HD1 ARG 19 -0.353 -12.222 -4.972 144 HE ARG 19 HE ARG 19 -2.123 -10.312 -5.468 145 HH11 ARG 19 HH11 ARG 19 0.981 -10.080 -3.761 146 HH12 ARG 19 HH12 ARG 19 1.251 -8.467 -4.236 147 HH21 ARG 19 HH21 ARG 19 -1.721 -8.102 -6.099 148 HH22 ARG 19 HH22 ARG 19 -0.282 -7.344 -5.605 149 H LEU 20 HN LEU 20 -2.629 -9.348 -1.121 150 HA LEU 20 HA LEU 20 0.176 -9.063 -1.603 151 HB2 LEU 20 HB2 LEU 20 -1.281 -7.439 -2.620 152 HB3 LEU 20 HB1 LEU 20 -1.985 -7.027 -1.077 153 HG LEU 20 HG LEU 20 0.366 -6.178 -0.459 154 HD11 LEU 20 HD11 LEU 20 1.590 -5.228 -2.406 155 HD12 LEU 20 HD12 LEU 20 0.737 -6.356 -3.443 156 HD13 LEU 20 HD13 LEU 20 1.812 -6.937 -2.164 157 HD21 LEU 20 HD21 LEU 20 -0.123 -3.984 -1.473 158 HD22 LEU 20 HD22 LEU 20 -1.535 -4.735 -0.733 159 HD23 LEU 20 HD23 LEU 20 -1.346 -4.758 -2.484 160 H LYS 21 HN LYS 21 -2.094 -8.703 1.030 161 HA LYS 21 HA LYS 21 -0.538 -7.460 2.958 162 HB2 LYS 21 HB2 LYS 21 -2.784 -9.439 3.206 163 HB3 LYS 21 HB1 LYS 21 -2.017 -8.701 4.606 164 HG2 LYS 21 HG2 LYS 21 -2.683 -6.505 3.873 165 HG3 LYS 21 HG1 LYS 21 -3.329 -7.166 2.373 166 HD2 LYS 21 HD2 LYS 21 -5.074 -6.643 4.032 167 HD3 LYS 21 HD1 LYS 21 -5.056 -8.353 3.591 168 HE2 LYS 21 HE2 LYS 21 -5.393 -8.013 6.008 169 HE3 LYS 21 HE1 LYS 21 -3.898 -8.877 5.677 170 HZ1 LYS 21 HZ1 LYS 21 -3.648 -7.166 7.367 171 HZ2 LYS 21 HZ2 LYS 21 -4.078 -5.961 6.274 172 HZ3 LYS 21 HZ3 LYS 21 -2.661 -6.863 6.050 173 H THR 22 HN THR 22 -0.871 -10.944 2.356 174 HA THR 22 HA THR 22 0.829 -11.687 4.479 175 HB THR 22 HB THR 22 0.880 -13.899 3.260 176 HG1 THR 22 HG1 THR 22 -1.172 -13.108 1.586 177 HG21 THR 22 HG21 THR 22 -1.515 -14.351 3.645 178 HG22 THR 22 HG22 THR 22 -1.815 -12.615 3.715 179 HG23 THR 22 HG23 THR 22 -0.820 -13.388 4.948 180 H ALA 23 HN ALA 23 1.292 -11.143 1.072 181 HA ALA 23 HA ALA 23 3.951 -12.001 0.757 182 HB1 ALA 23 HB1 ALA 23 2.343 -11.471 -1.059 183 HB2 ALA 23 HB2 ALA 23 3.936 -10.762 -1.262 184 HB3 ALA 23 HB3 ALA 23 2.584 -9.754 -0.714 185 H LEU 24 HN LEU 24 2.691 -8.805 1.568 186 HA LEU 24 HA LEU 24 5.279 -7.654 1.745 187 HB2 LEU 24 HB2 LEU 24 2.690 -6.702 2.954 188 HB3 LEU 24 HB1 LEU 24 4.151 -5.748 2.852 189 HG LEU 24 HG LEU 24 2.385 -6.648 0.590 190 HD11 LEU 24 HD11 LEU 24 1.611 -4.712 1.809 191 HD12 LEU 24 HD12 LEU 24 2.163 -4.248 0.198 192 HD13 LEU 24 HD13 LEU 24 3.176 -3.929 1.598 193 HD21 LEU 24 HD21 LEU 24 4.704 -6.874 -0.134 194 HD22 LEU 24 HD22 LEU 24 5.048 -5.237 0.427 195 HD23 LEU 24 HD23 LEU 24 3.936 -5.493 -0.916 196 H THR 25 HN THR 25 3.078 -9.007 4.128 197 HA THR 25 HA THR 25 4.626 -8.344 6.369 198 HB THR 25 HB THR 25 2.612 -10.582 6.002 199 HG1 THR 25 HG1 THR 25 1.484 -8.818 5.658 200 HG21 THR 25 HG21 THR 25 3.961 -10.876 8.048 201 HG22 THR 25 HG22 THR 25 2.307 -10.416 8.450 202 HG23 THR 25 HG23 THR 25 3.600 -9.220 8.530 203 H ALA 26 HN ALA 26 4.682 -11.160 4.213 204 HA ALA 26 HA ALA 26 6.591 -12.650 5.708 205 HB1 ALA 26 HB1 ALA 26 5.104 -13.701 4.046 206 HB2 ALA 26 HB2 ALA 26 6.802 -14.031 3.702 207 HB3 ALA 26 HB3 ALA 26 5.932 -12.819 2.763 208 H ASN 27 HN ASN 27 6.779 -10.096 3.437 209 HA ASN 27 HA ASN 27 9.653 -10.400 3.117 210 HB2 ASN 27 HB2 ASN 27 7.539 -8.895 1.760 211 HB3 ASN 27 HB1 ASN 27 9.149 -8.130 1.744 212 HD21 ASN 27 HD21 ASN 27 7.133 -10.688 0.636 213 HD22 ASN 27 HD22 ASN 27 8.252 -11.354 -0.496 214 H ARG 28 HN ARG 28 7.942 -9.418 5.490 215 HA ARG 28 HA ARG 28 8.329 -8.263 7.399 216 HB2 ARG 28 HB2 ARG 28 11.040 -7.532 6.261 217 HB3 ARG 28 HB1 ARG 28 10.567 -7.534 7.952 218 HG2 ARG 28 HG2 ARG 28 10.860 -9.953 6.176 219 HG3 ARG 28 HG1 ARG 28 11.972 -9.437 7.441 220 HD2 ARG 28 HD2 ARG 28 10.264 -9.857 9.132 221 HD3 ARG 28 HD1 ARG 28 9.102 -10.277 7.872 222 HE ARG 28 HE ARG 28 11.300 -11.894 7.496 223 HH11 ARG 28 HH11 ARG 28 8.816 -11.521 10.033 224 HH12 ARG 28 HH12 ARG 28 8.928 -13.132 10.531 225 HH21 ARG 28 HH21 ARG 28 11.378 -14.122 8.204 226 HH22 ARG 28 HH22 ARG 28 10.415 -14.625 9.497 227 H ILE 29 HN ILE 29 7.267 -6.983 4.955 228 HA ILE 29 HA ILE 29 8.036 -4.210 5.287 229 HB ILE 29 HB ILE 29 6.074 -5.560 3.406 230 HG12 ILE 29 HG12 ILE 29 8.815 -4.384 2.843 231 HG13 ILE 29 HG11 ILE 29 8.451 -6.098 2.977 232 HG21 ILE 29 HG21 ILE 29 6.015 -3.406 2.193 233 HG22 ILE 29 HG22 ILE 29 6.976 -2.674 3.483 234 HG23 ILE 29 HG23 ILE 29 5.359 -3.278 3.824 235 HD11 ILE 29 HD11 ILE 29 7.349 -4.219 0.902 236 HD12 ILE 29 HD12 ILE 29 7.029 -5.953 1.013 237 HD13 ILE 29 HD13 ILE 29 8.657 -5.376 0.671 238 H ALA 30 HN ALA 30 6.846 -2.802 6.443 239 HA ALA 30 HA ALA 30 4.422 -3.797 7.728 240 HB1 ALA 30 HB1 ALA 30 6.183 -3.071 9.240 241 HB2 ALA 30 HB2 ALA 30 4.796 -1.981 9.342 242 HB3 ALA 30 HB3 ALA 30 6.235 -1.497 8.450 243 H TYR 31 HN TYR 31 2.560 -2.426 7.781 244 HA TYR 31 HA TYR 31 2.596 -0.109 6.070 245 HB2 TYR 31 HB2 TYR 31 0.636 -0.973 4.737 246 HB3 TYR 31 HB1 TYR 31 2.178 -1.737 4.398 247 HD1 TYR 31 HD2 TYR 31 2.570 -4.083 5.044 248 HD2 TYR 31 HD1 TYR 31 -1.204 -2.228 5.730 249 HE1 TYR 31 HE2 TYR 31 1.545 -6.298 5.385 250 HE2 TYR 31 HE1 TYR 31 -2.227 -4.448 6.059 251 HH TYR 31 HH TYR 31 -0.389 -7.280 6.464 252 H ASP 32 HN ASP 32 1.152 1.399 6.609 253 HA ASP 32 HA ASP 32 -0.528 0.921 8.953 254 HB2 ASP 32 HB2 ASP 32 -0.723 3.488 7.393 255 HB3 ASP 32 HB1 ASP 32 -0.849 3.246 9.114 256 H GLU 33 HN GLU 33 -2.469 -0.038 8.480 257 HA GLU 33 HA GLU 33 -3.749 0.449 5.930 258 HB2 GLU 33 HB2 GLU 33 -4.191 -1.726 6.420 259 HB3 GLU 33 HB1 GLU 33 -4.183 -1.486 8.183 260 HG2 GLU 33 HG2 GLU 33 -6.456 -0.563 7.948 261 HG3 GLU 33 HG1 GLU 33 -6.372 -0.843 6.207 262 H VAL 34 HN VAL 34 -5.258 1.865 5.590 263 HA VAL 34 HA VAL 34 -5.658 3.901 7.555 264 HB VAL 34 HB VAL 34 -6.905 3.752 4.795 265 HG11 VAL 34 HG11 VAL 34 -6.252 6.143 6.500 266 HG12 VAL 34 HG12 VAL 34 -7.867 5.480 6.232 267 HG13 VAL 34 HG13 VAL 34 -6.960 6.172 4.882 268 HG21 VAL 34 HG21 VAL 34 -4.242 4.892 5.607 269 HG22 VAL 34 HG22 VAL 34 -4.979 5.035 4.010 270 HG23 VAL 34 HG23 VAL 34 -4.506 3.451 4.628 271 H ASP 35 HN ASP 35 -7.632 4.780 8.213 272 HA ASP 35 HA ASP 35 -9.503 2.955 9.275 273 HB2 ASP 35 HB2 ASP 35 -9.443 5.966 9.334 274 HB3 ASP 35 HB1 ASP 35 -10.680 5.019 10.143 275 H ILE 36 HN ILE 36 -9.475 3.844 6.233 276 HA ILE 36 HA ILE 36 -11.708 5.248 5.426 277 HB ILE 36 HB ILE 36 -11.619 4.119 3.264 278 HG12 ILE 36 HG12 ILE 36 -9.411 2.454 4.437 279 HG13 ILE 36 HG11 ILE 36 -11.063 1.864 4.271 280 HG21 ILE 36 HG21 ILE 36 -10.121 5.964 3.729 281 HG22 ILE 36 HG22 ILE 36 -9.328 4.763 2.709 282 HG23 ILE 36 HG23 ILE 36 -8.940 4.851 4.425 283 HD11 ILE 36 HD11 ILE 36 -9.606 1.128 2.448 284 HD12 ILE 36 HD12 ILE 36 -9.323 2.833 2.041 285 HD13 ILE 36 HD13 ILE 36 -10.935 2.144 1.879 286 H GLU 37 HN GLU 37 -11.933 1.936 6.529 287 HA GLU 37 HA GLU 37 -14.395 1.481 5.203 288 HB2 GLU 37 HB2 GLU 37 -14.717 -0.364 6.812 289 HB3 GLU 37 HB1 GLU 37 -13.177 -0.395 5.967 290 HG2 GLU 37 HG2 GLU 37 -12.006 0.307 7.879 291 HG3 GLU 37 HG1 GLU 37 -13.501 0.672 8.742 292 H HIS 38 HN HIS 38 -13.536 3.129 8.035 293 HA HIS 38 HA HIS 38 -16.368 3.564 8.679 294 HB2 HIS 38 HB2 HIS 38 -14.846 2.668 10.504 295 HB3 HIS 38 HB1 HIS 38 -13.942 4.167 10.384 296 HD1 HIS 38 HD1 HIS 38 -16.903 2.666 12.019 297 HD2 HIS 38 HD2 HIS 38 -15.430 6.483 11.246 298 HE1 HIS 38 HE1 HIS 38 -18.114 4.207 13.572 299 H ASN 39 HN ASN 39 -13.234 5.097 8.164 300 HA ASN 39 HA ASN 39 -14.304 7.771 8.268 301 HB2 ASN 39 HB2 ASN 39 -11.965 7.297 8.931 302 HB3 ASN 39 HB1 ASN 39 -11.612 6.882 7.259 303 HD21 ASN 39 HD21 ASN 39 -10.339 8.469 6.632 304 HD22 ASN 39 HD22 ASN 39 -10.611 10.149 6.782 305 H ARG 40 HN ARG 40 -15.671 8.215 6.720 306 HA ARG 40 HA ARG 40 -15.340 7.318 4.053 307 HB2 ARG 40 HB2 ARG 40 -17.215 8.822 3.478 308 HB3 ARG 40 HB1 ARG 40 -17.560 7.770 4.841 309 HG2 ARG 40 HG2 ARG 40 -17.170 9.582 6.377 310 HG3 ARG 40 HG1 ARG 40 -16.777 10.664 5.037 311 HD2 ARG 40 HD2 ARG 40 -19.074 10.984 5.788 312 HD3 ARG 40 HD1 ARG 40 -19.018 10.365 4.138 313 HE ARG 40 HE ARG 40 -19.264 8.286 6.083 314 HH11 ARG 40 HH11 ARG 40 -21.165 10.757 4.413 315 HH12 ARG 40 HH12 ARG 40 -22.569 9.784 4.313 316 HH21 ARG 40 HH21 ARG 40 -21.222 7.005 6.016 317 HH22 ARG 40 HH22 ARG 40 -22.609 7.657 5.261 318 H ALA 41 HN ALA 41 -14.091 10.047 5.757 319 HA ALA 41 HA ALA 41 -13.800 11.710 3.519 320 HB1 ALA 41 HB1 ALA 41 -12.331 13.120 4.864 321 HB2 ALA 41 HB2 ALA 41 -12.279 11.887 6.131 322 HB3 ALA 41 HB3 ALA 41 -13.789 12.676 5.726 323 H ALA 42 HN ALA 42 -11.634 9.336 4.842 324 HA ALA 42 HA ALA 42 -9.724 9.956 2.745 325 HB1 ALA 42 HB1 ALA 42 -9.674 7.732 4.790 326 HB2 ALA 42 HB2 ALA 42 -8.846 9.282 4.931 327 HB3 ALA 42 HB3 ALA 42 -8.364 8.134 3.681 328 H ALA 43 HN ALA 43 -12.424 7.936 3.248 329 HA ALA 43 HA ALA 43 -11.781 5.822 1.503 330 HB1 ALA 43 HB1 ALA 43 -14.512 6.820 2.245 331 HB2 ALA 43 HB2 ALA 43 -13.520 5.774 3.250 332 HB3 ALA 43 HB3 ALA 43 -14.094 5.194 1.676 333 H GLU 44 HN GLU 44 -13.297 8.945 1.020 334 HA GLU 44 HA GLU 44 -13.988 8.460 -1.681 335 HB2 GLU 44 HB2 GLU 44 -13.561 11.065 -0.215 336 HB3 GLU 44 HB1 GLU 44 -14.202 10.938 -1.848 337 HG2 GLU 44 HG2 GLU 44 -15.464 9.840 0.656 338 HG3 GLU 44 HG1 GLU 44 -16.001 11.245 -0.262 339 H PHE 45 HN PHE 45 -11.073 9.501 -0.098 340 HA PHE 45 HA PHE 45 -9.729 10.472 -2.395 341 HB2 PHE 45 HB2 PHE 45 -8.943 11.055 -0.155 342 HB3 PHE 45 HB1 PHE 45 -8.632 9.365 0.205 343 HD1 PHE 45 HD2 PHE 45 -7.628 12.065 -2.162 344 HD2 PHE 45 HD1 PHE 45 -6.495 8.510 -0.110 345 HE1 PHE 45 HE2 PHE 45 -5.326 12.322 -2.990 346 HE2 PHE 45 HE1 PHE 45 -4.195 8.761 -0.936 347 HZ PHE 45 HZ PHE 45 -3.608 10.670 -2.378 348 H VAL 46 HN VAL 46 -10.145 7.324 -0.990 349 HA VAL 46 HA VAL 46 -8.273 5.868 -2.508 350 HB VAL 46 HB VAL 46 -10.969 4.888 -1.500 351 HG11 VAL 46 HG11 VAL 46 -9.909 3.358 -3.092 352 HG12 VAL 46 HG12 VAL 46 -9.911 2.677 -1.456 353 HG13 VAL 46 HG13 VAL 46 -8.440 3.387 -2.119 354 HG21 VAL 46 HG21 VAL 46 -8.295 4.866 -0.124 355 HG22 VAL 46 HG22 VAL 46 -9.787 4.155 0.496 356 HG23 VAL 46 HG23 VAL 46 -9.655 5.906 0.287 357 H GLY 47 HN GLY 47 -11.480 7.032 -3.190 358 HA2 GLY 47 HA2 GLY 47 -11.853 5.598 -5.625 359 HA3 GLY 47 HA1 GLY 47 -12.767 7.013 -5.096 360 H SER 48 HN SER 48 -10.716 8.838 -4.792 361 HA SER 48 HA SER 48 -10.452 9.910 -7.323 362 HB2 SER 48 HB2 SER 48 -8.746 10.451 -4.889 363 HB3 SER 48 HB1 SER 48 -8.980 11.535 -6.262 364 HG SER 48 HG SER 48 -11.172 11.623 -5.747 365 H VAL 49 HN VAL 49 -8.137 7.937 -5.470 366 HA VAL 49 HA VAL 49 -6.102 8.267 -7.475 367 HB VAL 49 HB VAL 49 -4.729 6.691 -6.171 368 HG11 VAL 49 HG11 VAL 49 -6.054 8.821 -4.512 369 HG12 VAL 49 HG12 VAL 49 -4.686 9.038 -5.604 370 HG13 VAL 49 HG13 VAL 49 -4.506 8.056 -4.149 371 HG21 VAL 49 HG21 VAL 49 -7.129 6.495 -4.348 372 HG22 VAL 49 HG22 VAL 49 -5.531 5.831 -4.009 373 HG23 VAL 49 HG23 VAL 49 -6.485 5.199 -5.355 374 H ASN 50 HN ASN 50 -8.787 6.363 -7.391 375 HA ASN 50 HA ASN 50 -7.481 4.357 -9.073 376 HB2 ASN 50 HB2 ASN 50 -9.925 4.133 -7.354 377 HB3 ASN 50 HB1 ASN 50 -9.703 3.052 -8.725 378 HD21 ASN 50 HD21 ASN 50 -8.629 3.887 -5.534 379 HD22 ASN 50 HD22 ASN 50 -7.582 2.520 -5.340 380 H GLY 51 HN GLY 51 -10.543 6.187 -8.895 381 HA2 GLY 51 HA2 GLY 51 -10.725 7.473 -11.098 382 HA3 GLY 51 HA1 GLY 51 -10.720 5.854 -11.792 383 H GLY 52 HN GLY 52 -12.439 4.484 -11.361 384 HA2 GLY 52 HA2 GLY 52 -14.897 5.989 -10.825 385 HA3 GLY 52 HA1 GLY 52 -14.790 4.532 -11.807 386 H ASN 53 HN ASN 53 -13.252 2.966 -10.030 387 HA ASN 53 HA ASN 53 -15.136 2.694 -7.801 388 HB2 ASN 53 HB2 ASN 53 -14.072 0.470 -9.550 389 HB3 ASN 53 HB1 ASN 53 -14.845 0.192 -7.999 390 HD21 ASN 53 HD21 ASN 53 -16.857 2.325 -8.426 391 HD22 ASN 53 HD22 ASN 53 -17.951 1.716 -9.588 392 H ARG 54 HN ARG 54 -14.346 1.835 -5.940 393 HA ARG 54 HA ARG 54 -11.601 2.423 -5.468 394 HB2 ARG 54 HB2 ARG 54 -13.933 1.701 -3.758 395 HB3 ARG 54 HB1 ARG 54 -12.317 1.713 -3.081 396 HG2 ARG 54 HG2 ARG 54 -12.036 4.026 -3.602 397 HG3 ARG 54 HG1 ARG 54 -13.510 4.033 -4.561 398 HD2 ARG 54 HD2 ARG 54 -13.523 3.398 -1.638 399 HD3 ARG 54 HD1 ARG 54 -13.600 5.053 -2.236 400 HE ARG 54 HE ARG 54 -15.547 3.062 -3.154 401 HH11 ARG 54 HH11 ARG 54 -14.837 6.086 -1.435 402 HH12 ARG 54 HH12 ARG 54 -16.433 6.627 -1.339 403 HH21 ARG 54 HH21 ARG 54 -17.808 3.752 -3.002 404 HH22 ARG 54 HH22 ARG 54 -18.180 5.231 -2.285 405 H THR 55 HN THR 55 -10.338 0.949 -6.385 406 HA THR 55 HA THR 55 -10.614 -1.860 -6.013 407 HB THR 55 HB THR 55 -8.022 -0.443 -6.604 408 HG1 THR 55 HG1 THR 55 -8.889 0.434 -8.266 409 HG21 THR 55 HG21 THR 55 -7.734 -2.364 -8.104 410 HG22 THR 55 HG22 THR 55 -9.349 -2.943 -7.686 411 HG23 THR 55 HG23 THR 55 -8.087 -2.901 -6.456 412 H VAL 56 HN VAL 56 -9.962 -2.983 -4.180 413 HA VAL 56 HA VAL 56 -8.737 -1.310 -2.625 414 HB VAL 56 HB VAL 56 -8.977 -2.538 -0.427 415 HG11 VAL 56 HG11 VAL 56 -10.887 -1.074 -0.089 416 HG12 VAL 56 HG12 VAL 56 -10.878 -0.749 -1.845 417 HG13 VAL 56 HG13 VAL 56 -9.445 -0.398 -0.852 418 HG21 VAL 56 HG21 VAL 56 -11.255 -3.525 -2.105 419 HG22 VAL 56 HG22 VAL 56 -11.270 -3.392 -0.330 420 HG23 VAL 56 HG23 VAL 56 -10.059 -4.407 -1.121 421 HA PRO 57 HA PRO 57 -5.521 -2.903 -1.100 422 HB2 PRO 57 HB2 PRO 57 -3.638 -4.520 -2.243 423 HB3 PRO 57 HB1 PRO 57 -4.995 -5.091 -1.267 424 HG2 PRO 57 HG2 PRO 57 -4.798 -4.938 -4.257 425 HG3 PRO 57 HG1 PRO 57 -5.522 -6.205 -3.252 426 HD2 PRO 57 HD2 PRO 57 -6.957 -4.188 -4.500 427 HD3 PRO 57 HD1 PRO 57 -7.467 -5.137 -3.072 428 H THR 58 HN THR 58 -5.257 -0.698 -1.911 429 HA THR 58 HA THR 58 -3.324 -0.180 -4.035 430 HB THR 58 HB THR 58 -5.327 1.686 -2.739 431 HG1 THR 58 HG1 THR 58 -6.613 0.316 -3.893 432 HG21 THR 58 HG21 THR 58 -3.769 1.911 -5.320 433 HG22 THR 58 HG22 THR 58 -3.456 2.865 -3.865 434 HG23 THR 58 HG23 THR 58 -4.972 3.056 -4.759 435 H VAL 59 HN VAL 59 -1.384 0.439 -3.395 436 HA VAL 59 HA VAL 59 -0.976 1.115 -0.581 437 HB VAL 59 HB VAL 59 0.363 -0.801 -1.526 438 HG11 VAL 59 HG11 VAL 59 1.450 1.273 -3.296 439 HG12 VAL 59 HG12 VAL 59 0.568 -0.177 -3.767 440 HG13 VAL 59 HG13 VAL 59 2.198 -0.306 -3.057 441 HG21 VAL 59 HG21 VAL 59 1.313 0.461 0.372 442 HG22 VAL 59 HG22 VAL 59 2.034 1.589 -0.754 443 HG23 VAL 59 HG23 VAL 59 2.566 -0.082 -0.729 444 H LYS 60 HN LYS 60 0.095 2.971 0.019 445 HA LYS 60 HA LYS 60 0.510 4.976 -2.065 446 HB2 LYS 60 HB2 LYS 60 -1.478 5.414 -0.682 447 HB3 LYS 60 HB1 LYS 60 -0.494 5.308 0.772 448 HG2 LYS 60 HG2 LYS 60 -0.998 7.597 0.228 449 HG3 LYS 60 HG1 LYS 60 0.738 7.308 0.008 450 HD2 LYS 60 HD2 LYS 60 0.406 7.139 -2.391 451 HD3 LYS 60 HD1 LYS 60 -1.338 7.299 -2.166 452 HE2 LYS 60 HE2 LYS 60 -1.041 9.516 -1.273 453 HE3 LYS 60 HE1 LYS 60 0.710 9.374 -1.455 454 HZ1 LYS 60 HZ1 LYS 60 -1.222 9.215 -3.717 455 HZ2 LYS 60 HZ2 LYS 60 0.454 9.278 -3.835 456 HZ3 LYS 60 HZ3 LYS 60 -0.396 10.603 -3.269 457 H PHE 61 HN PHE 61 2.538 5.740 -2.069 458 HA PHE 61 HA PHE 61 4.300 5.055 0.159 459 HB2 PHE 61 HB2 PHE 61 4.942 5.862 -2.699 460 HB3 PHE 61 HB1 PHE 61 6.131 5.484 -1.463 461 HD1 PHE 61 HD2 PHE 61 3.573 4.064 -3.718 462 HD2 PHE 61 HD1 PHE 61 6.603 3.185 -0.849 463 HE1 PHE 61 HE2 PHE 61 3.533 1.653 -4.352 464 HE2 PHE 61 HE1 PHE 61 6.548 0.848 -1.508 465 HZ PHE 61 HZ PHE 61 5.011 0.078 -3.247 466 H ALA 62 HN ALA 62 5.616 6.695 1.057 467 HA ALA 62 HA ALA 62 4.435 9.254 1.310 468 HB1 ALA 62 HB1 ALA 62 6.374 9.810 2.690 469 HB2 ALA 62 HB2 ALA 62 7.218 8.381 2.092 470 HB3 ALA 62 HB3 ALA 62 5.772 8.199 3.085 471 H ASP 63 HN ASP 63 6.410 8.009 -1.028 472 HA ASP 63 HA ASP 63 7.860 10.330 -1.873 473 HB2 ASP 63 HB2 ASP 63 8.613 8.062 -2.307 474 HB3 ASP 63 HB1 ASP 63 7.182 7.739 -3.266 475 H GLY 64 HN GLY 64 4.643 9.288 -2.134 476 HA2 GLY 64 HA2 GLY 64 2.997 10.873 -2.870 477 HA3 GLY 64 HA1 GLY 64 4.086 11.328 -4.177 478 H SER 65 HN SER 65 4.707 8.371 -4.435 479 HA SER 65 HA SER 65 2.971 7.873 -6.568 480 HB2 SER 65 HB2 SER 65 4.294 5.658 -6.389 481 HB3 SER 65 HB1 SER 65 5.162 7.149 -6.771 482 HG SER 65 HG SER 65 6.174 5.940 -5.103 483 H THR 66 HN THR 66 1.185 6.579 -6.663 484 HA THR 66 HA THR 66 0.540 4.936 -4.307 485 HB THR 66 HB THR 66 -1.600 5.839 -6.199 486 HG1 THR 66 HG1 THR 66 -0.603 7.784 -5.824 487 HG21 THR 66 HG21 THR 66 -1.477 5.577 -3.187 488 HG22 THR 66 HG22 THR 66 -2.098 4.363 -4.301 489 HG23 THR 66 HG23 THR 66 -2.928 5.912 -4.130 490 H LEU 67 HN LEU 67 0.061 2.808 -4.870 491 HA LEU 67 HA LEU 67 -0.018 2.156 -7.730 492 HB2 LEU 67 HB2 LEU 67 1.839 1.063 -5.664 493 HB3 LEU 67 HB1 LEU 67 1.215 -0.054 -6.851 494 HG LEU 67 HG LEU 67 2.217 1.329 -8.649 495 HD11 LEU 67 HD11 LEU 67 2.281 3.495 -7.530 496 HD12 LEU 67 HD12 LEU 67 3.829 3.036 -8.217 497 HD13 LEU 67 HD13 LEU 67 3.587 2.936 -6.482 498 HD21 LEU 67 HD21 LEU 67 4.543 0.695 -8.213 499 HD22 LEU 67 HD22 LEU 67 3.400 -0.589 -7.833 500 HD23 LEU 67 HD23 LEU 67 4.120 0.361 -6.531 501 H THR 68 HN THR 68 -1.787 1.124 -8.217 502 HA THR 68 HA THR 68 -3.349 -0.123 -6.128 503 HB THR 68 HB THR 68 -3.955 0.213 -9.069 504 HG1 THR 68 HG1 THR 68 -5.306 1.772 -7.255 505 HG21 THR 68 HG21 THR 68 -6.278 -0.120 -8.354 506 HG22 THR 68 HG22 THR 68 -5.729 -0.363 -6.695 507 HG23 THR 68 HG23 THR 68 -5.275 -1.515 -7.949 508 H ASN 69 HN ASN 69 -2.848 -2.150 -5.666 509 HA ASN 69 HA ASN 69 -2.353 -4.325 -5.799 510 HB2 ASN 69 HB2 ASN 69 -4.488 -4.471 -6.866 511 HB3 ASN 69 HB1 ASN 69 -3.795 -4.037 -8.426 512 HD21 ASN 69 HD21 ASN 69 -4.567 -5.824 -9.399 513 HD22 ASN 69 HD22 ASN 69 -4.021 -7.431 -9.112 514 HA PRO 70 HA PRO 70 1.341 -4.543 -8.400 515 HB2 PRO 70 HB2 PRO 70 3.221 -3.664 -6.779 516 HB3 PRO 70 HB1 PRO 70 2.132 -2.500 -7.540 517 HG2 PRO 70 HG2 PRO 70 2.167 -3.515 -4.747 518 HG3 PRO 70 HG1 PRO 70 1.723 -1.898 -5.331 519 HD2 PRO 70 HD2 PRO 70 -0.024 -4.073 -4.701 520 HD3 PRO 70 HD1 PRO 70 -0.474 -2.524 -5.447 521 H SER 71 HN SER 71 3.274 -6.023 -7.940 522 HA SER 71 HA SER 71 2.529 -8.095 -6.071 523 HB2 SER 71 HB2 SER 71 3.527 -8.588 -8.377 524 HB3 SER 71 HB1 SER 71 5.040 -7.917 -7.758 525 HG SER 71 HG SER 71 5.423 -9.800 -7.063 526 H ALA 72 HN ALA 72 4.290 -8.895 -4.543 527 HA ALA 72 HA ALA 72 4.989 -6.869 -2.720 528 HB1 ALA 72 HB1 ALA 72 6.113 -9.633 -2.996 529 HB2 ALA 72 HB2 ALA 72 4.664 -9.170 -2.092 530 HB3 ALA 72 HB3 ALA 72 6.255 -8.607 -1.562 531 H ASP 73 HN ASP 73 6.735 -8.356 -5.320 532 HA ASP 73 HA ASP 73 9.399 -7.689 -4.874 533 HB2 ASP 73 HB2 ASP 73 8.051 -7.505 -7.563 534 HB3 ASP 73 HB1 ASP 73 9.706 -7.983 -7.216 535 H GLU 74 HN GLU 74 6.755 -5.912 -6.261 536 HA GLU 74 HA GLU 74 8.203 -3.683 -7.262 537 HB2 GLU 74 HB2 GLU 74 5.306 -3.843 -6.487 538 HB3 GLU 74 HB1 GLU 74 6.017 -2.702 -7.610 539 HG2 GLU 74 HG2 GLU 74 5.683 -5.672 -7.981 540 HG3 GLU 74 HG1 GLU 74 4.836 -4.380 -8.827 541 H VAL 75 HN VAL 75 6.125 -4.189 -4.498 542 HA VAL 75 HA VAL 75 6.349 -1.622 -3.409 543 HB VAL 75 HB VAL 75 5.740 -4.205 -1.956 544 HG11 VAL 75 HG11 VAL 75 5.068 -1.352 -1.241 545 HG12 VAL 75 HG12 VAL 75 6.262 -2.368 -0.437 546 HG13 VAL 75 HG13 VAL 75 4.551 -2.787 -0.356 547 HG21 VAL 75 HG21 VAL 75 4.269 -3.886 -3.863 548 HG22 VAL 75 HG22 VAL 75 3.885 -2.254 -3.317 549 HG23 VAL 75 HG23 VAL 75 3.383 -3.645 -2.360 550 H LYS 76 HN LYS 76 8.185 -4.556 -2.839 551 HA LYS 76 HA LYS 76 9.662 -3.670 -0.624 552 HB2 LYS 76 HB2 LYS 76 9.355 -6.005 -1.333 553 HB3 LYS 76 HB1 LYS 76 10.389 -5.709 -2.719 554 HG2 LYS 76 HG2 LYS 76 12.268 -5.313 -1.227 555 HG3 LYS 76 HG1 LYS 76 11.214 -5.572 0.171 556 HD2 LYS 76 HD2 LYS 76 10.703 -7.828 -0.671 557 HD3 LYS 76 HD1 LYS 76 11.827 -7.558 -2.001 558 HE2 LYS 76 HE2 LYS 76 13.654 -7.328 -0.429 559 HE3 LYS 76 HE1 LYS 76 12.536 -7.523 0.922 560 HZ1 LYS 76 HZ1 LYS 76 13.601 -9.604 0.478 561 HZ2 LYS 76 HZ2 LYS 76 13.175 -9.550 -1.146 562 HZ3 LYS 76 HZ3 LYS 76 11.977 -9.728 0.035 563 H ALA 77 HN ALA 77 10.275 -3.412 -4.087 564 HA ALA 77 HA ALA 77 12.898 -2.214 -3.685 565 HB1 ALA 77 HB1 ALA 77 12.445 -3.665 -5.639 566 HB2 ALA 77 HB2 ALA 77 12.956 -2.048 -6.124 567 HB3 ALA 77 HB3 ALA 77 11.253 -2.500 -6.210 568 H LYS 78 HN LYS 78 9.653 -1.106 -4.019 569 HA LYS 78 HA LYS 78 10.571 1.567 -4.571 570 HB2 LYS 78 HB2 LYS 78 7.779 0.599 -3.935 571 HB3 LYS 78 HB1 LYS 78 8.191 2.246 -4.387 572 HG2 LYS 78 HG2 LYS 78 8.537 -0.205 -6.108 573 HG3 LYS 78 HG1 LYS 78 7.279 1.018 -6.277 574 HD2 LYS 78 HD2 LYS 78 8.949 2.701 -6.824 575 HD3 LYS 78 HD1 LYS 78 10.248 1.537 -6.562 576 HE2 LYS 78 HE2 LYS 78 9.351 0.149 -8.370 577 HE3 LYS 78 HE1 LYS 78 8.091 1.347 -8.657 578 HZ1 LYS 78 HZ1 LYS 78 9.968 1.534 -10.182 579 HZ2 LYS 78 HZ2 LYS 78 11.008 1.869 -8.913 580 HZ3 LYS 78 HZ3 LYS 78 9.763 2.938 -9.291 581 H LEU 79 HN LEU 79 9.447 -0.266 -1.821 582 HA LEU 79 HA LEU 79 9.090 1.716 0.057 583 HB2 LEU 79 HB2 LEU 79 8.695 -0.803 0.405 584 HB3 LEU 79 HB1 LEU 79 10.416 -0.948 0.539 585 HG LEU 79 HG LEU 79 10.353 0.510 2.549 586 HD11 LEU 79 HD11 LEU 79 7.374 0.210 2.249 587 HD12 LEU 79 HD12 LEU 79 8.288 1.729 2.383 588 HD13 LEU 79 HD13 LEU 79 8.172 0.639 3.743 589 HD21 LEU 79 HD21 LEU 79 10.524 -1.893 2.730 590 HD22 LEU 79 HD22 LEU 79 8.775 -2.049 2.618 591 HD23 LEU 79 HD23 LEU 79 9.503 -1.266 4.026 592 H VAL 80 HN VAL 80 12.006 0.010 -0.868 593 HA VAL 80 HA VAL 80 13.694 1.272 0.960 594 HB VAL 80 HB VAL 80 15.594 0.377 -0.426 595 HG11 VAL 80 HG11 VAL 80 14.562 -0.956 1.326 596 HG12 VAL 80 HG12 VAL 80 15.100 -1.957 -0.020 597 HG13 VAL 80 HG13 VAL 80 13.388 -1.567 0.162 598 HG21 VAL 80 HG21 VAL 80 15.059 -1.117 -2.286 599 HG22 VAL 80 HG22 VAL 80 14.631 0.564 -2.616 600 HG23 VAL 80 HG23 VAL 80 13.374 -0.593 -2.177 601 H LYS 81 HN LYS 81 12.884 2.198 -2.357 602 HA LYS 81 HA LYS 81 14.872 4.264 -2.326 603 HB2 LYS 81 HB2 LYS 81 14.037 4.928 -4.542 604 HB3 LYS 81 HB1 LYS 81 14.323 3.205 -4.453 605 HG2 LYS 81 HG2 LYS 81 12.281 3.258 -5.605 606 HG3 LYS 81 HG1 LYS 81 11.787 3.083 -3.936 607 HD2 LYS 81 HD2 LYS 81 10.392 4.705 -5.043 608 HD3 LYS 81 HD1 LYS 81 11.366 5.492 -3.808 609 HE2 LYS 81 HE2 LYS 81 12.873 6.361 -5.502 610 HE3 LYS 81 HE1 LYS 81 12.011 5.477 -6.760 611 HZ1 LYS 81 HZ1 LYS 81 10.864 7.666 -5.095 612 HZ2 LYS 81 HZ2 LYS 81 10.047 6.825 -6.302 613 HZ3 LYS 81 HZ3 LYS 81 11.348 7.802 -6.699 614 H ILE 82 HN ILE 82 11.575 4.065 -1.352 615 HA ILE 82 HA ILE 82 11.343 6.927 -1.389 616 HB ILE 82 HB ILE 82 9.070 6.698 -0.554 617 HG12 ILE 82 HG12 ILE 82 8.118 4.277 -0.340 618 HG13 ILE 82 HG11 ILE 82 9.784 3.801 -0.058 619 HG21 ILE 82 HG21 ILE 82 9.660 4.621 -2.657 620 HG22 ILE 82 HG22 ILE 82 9.499 6.336 -2.911 621 HG23 ILE 82 HG23 ILE 82 8.097 5.409 -2.396 622 HD11 ILE 82 HD11 ILE 82 8.551 4.038 2.027 623 HD12 ILE 82 HD12 ILE 82 8.170 5.713 1.628 624 HD13 ILE 82 HD13 ILE 82 9.842 5.236 1.926 625 H ALA 83 HN ALA 83 12.274 4.498 0.824 626 HA ALA 83 HA ALA 83 12.168 6.142 3.154 627 HB1 ALA 83 HB1 ALA 83 13.788 3.644 2.608 628 HB2 ALA 83 HB2 ALA 83 12.171 3.689 3.310 629 HB3 ALA 83 HB3 ALA 83 13.533 4.383 4.190 630 H GLY 84 HN GLY 84 14.411 5.589 0.567 631 HA2 GLY 84 HA2 GLY 84 15.739 7.801 0.414 632 HA3 GLY 84 HA1 GLY 84 16.453 7.180 1.899 633 H LEU 85 HN LEU 85 18.285 6.235 1.596 634 HA LEU 85 HA LEU 85 18.764 4.636 -0.836 635 HB2 LEU 85 HB2 LEU 85 20.677 6.512 0.589 636 HB3 LEU 85 HB1 LEU 85 21.101 5.467 -0.751 637 HG LEU 85 HG LEU 85 19.163 7.776 -0.893 638 HD11 LEU 85 HD11 LEU 85 20.906 8.866 -2.220 639 HD12 LEU 85 HD12 LEU 85 21.997 7.519 -1.874 640 HD13 LEU 85 HD13 LEU 85 21.427 8.551 -0.566 641 HD21 LEU 85 HD21 LEU 85 20.283 5.988 -3.053 642 HD22 LEU 85 HD22 LEU 85 19.281 7.416 -3.313 643 HD23 LEU 85 HD23 LEU 85 18.612 6.014 -2.483 644 H GLU 86 HN GLU 86 17.770 4.032 1.654 645 HA GLU 86 HA GLU 86 19.779 3.143 3.502 646 HB2 GLU 86 HB2 GLU 86 16.880 2.379 3.602 647 HB3 GLU 86 HB1 GLU 86 17.994 2.653 4.928 648 HG2 GLU 86 HG2 GLU 86 16.690 4.730 3.176 649 HG3 GLU 86 HG1 GLU 86 16.404 4.438 4.885 650 H HIS 87 HN HIS 87 17.217 1.599 1.635 651 HA HIS 87 HA HIS 87 16.783 -0.466 0.933 652 HB2 HIS 87 HB2 HIS 87 18.789 0.134 -0.506 653 HB3 HIS 87 HB1 HIS 87 19.781 -0.775 0.625 654 HD1 HIS 87 HD1 HIS 87 17.829 -1.158 -2.435 655 HD2 HIS 87 HD2 HIS 87 19.095 -3.626 0.661 656 HE1 HIS 87 HE1 HIS 87 17.613 -3.508 -3.286 657 H HIS 88 HN HIS 88 15.978 -1.072 2.990 658 HA HIS 88 HA HIS 88 17.691 -3.051 4.312 659 HB2 HIS 88 HB2 HIS 88 15.335 -1.531 5.487 660 HB3 HIS 88 HB1 HIS 88 16.277 -2.750 6.322 661 HD1 HIS 88 HD1 HIS 88 15.937 0.746 6.288 662 HD2 HIS 88 HD2 HIS 88 19.218 -1.803 6.239 663 HE1 HIS 88 HE1 HIS 88 17.875 2.079 7.178 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 6.100 8.342 15.088 2 H2 MET 1 HT2 MET 1 5.544 9.581 16.084 3 H3 MET 1 HT3 MET 1 6.237 9.935 14.581 4 HA MET 1 HA MET 1 3.795 8.394 14.962 5 HB2 MET 1 HB2 MET 1 4.207 11.308 14.334 6 HB3 MET 1 HB1 MET 1 2.744 10.472 13.844 7 HG2 MET 1 HG2 MET 1 2.395 11.665 15.936 8 HG3 MET 1 HG1 MET 1 2.252 9.930 16.165 9 HE1 MET 1 HE1 MET 1 2.419 10.175 18.771 10 HE2 MET 1 HE2 MET 1 2.513 11.928 18.588 11 HE3 MET 1 HE3 MET 1 3.683 11.083 19.600 12 H VAL 2 HN VAL 2 2.512 8.571 12.761 13 HA VAL 2 HA VAL 2 2.330 7.808 10.694 14 HB VAL 2 HB VAL 2 5.151 8.861 10.190 15 HG11 VAL 2 HG11 VAL 2 4.507 8.900 7.825 16 HG12 VAL 2 HG12 VAL 2 2.949 8.192 8.241 17 HG13 VAL 2 HG13 VAL 2 4.431 7.266 8.490 18 HG21 VAL 2 HG21 VAL 2 4.057 10.852 9.246 19 HG22 VAL 2 HG22 VAL 2 3.669 10.648 10.956 20 HG23 VAL 2 HG23 VAL 2 2.487 10.207 9.726 21 H THR 3 HN THR 3 5.787 7.217 11.253 22 HA THR 3 HA THR 3 7.027 5.439 11.619 23 HB THR 3 HB THR 3 4.461 3.926 12.180 24 HG1 THR 3 HG1 THR 3 4.444 5.053 13.965 25 HG21 THR 3 HG21 THR 3 6.431 2.463 11.861 26 HG22 THR 3 HG22 THR 3 5.915 2.476 13.550 27 HG23 THR 3 HG23 THR 3 7.321 3.415 13.048 28 H ALA 4 HN ALA 4 4.284 4.558 9.567 29 HA ALA 4 HA ALA 4 6.059 2.780 8.059 30 HB1 ALA 4 HB1 ALA 4 3.923 1.833 8.808 31 HB2 ALA 4 HB2 ALA 4 4.039 1.877 7.049 32 HB3 ALA 4 HB3 ALA 4 3.064 3.077 7.899 33 H ALA 5 HN ALA 5 6.397 3.022 5.888 34 HA ALA 5 HA ALA 5 5.934 5.683 4.827 35 HB1 ALA 5 HB1 ALA 5 7.506 5.014 3.067 36 HB2 ALA 5 HB2 ALA 5 7.535 3.368 3.707 37 HB3 ALA 5 HB3 ALA 5 8.180 4.695 4.660 38 H LEU 6 HN LEU 6 4.770 2.494 4.573 39 HA LEU 6 HA LEU 6 3.322 2.966 2.079 40 HB2 LEU 6 HB2 LEU 6 3.538 0.564 3.866 41 HB3 LEU 6 HB1 LEU 6 2.361 0.668 2.588 42 HG LEU 6 HG LEU 6 4.244 0.805 0.967 43 HD11 LEU 6 HD11 LEU 6 5.888 0.111 3.390 44 HD12 LEU 6 HD12 LEU 6 6.000 1.611 2.466 45 HD13 LEU 6 HD13 LEU 6 6.446 0.070 1.722 46 HD21 LEU 6 HD21 LEU 6 4.763 -1.561 1.137 47 HD22 LEU 6 HD22 LEU 6 3.053 -1.229 1.397 48 HD23 LEU 6 HD23 LEU 6 4.105 -1.580 2.771 49 H THR 7 HN THR 7 1.326 3.683 2.092 50 HA THR 7 HA THR 7 -0.323 3.145 4.444 51 HB THR 7 HB THR 7 -0.620 5.375 2.398 52 HG1 THR 7 HG1 THR 7 0.909 5.054 4.653 53 HG21 THR 7 HG21 THR 7 -1.902 4.939 5.113 54 HG22 THR 7 HG22 THR 7 -2.708 4.736 3.558 55 HG23 THR 7 HG23 THR 7 -2.160 6.333 4.067 56 H ILE 8 HN ILE 8 -1.586 1.466 3.952 57 HA ILE 8 HA ILE 8 -2.279 1.021 1.128 58 HB ILE 8 HB ILE 8 -1.976 -1.003 3.365 59 HG12 ILE 8 HG12 ILE 8 -0.387 -0.546 0.837 60 HG13 ILE 8 HG11 ILE 8 0.156 -0.226 2.481 61 HG21 ILE 8 HG21 ILE 8 -3.816 -1.618 1.908 62 HG22 ILE 8 HG22 ILE 8 -2.465 -2.732 1.703 63 HG23 ILE 8 HG23 ILE 8 -2.780 -1.493 0.483 64 HD11 ILE 8 HD11 ILE 8 -0.496 -2.915 1.313 65 HD12 ILE 8 HD12 ILE 8 0.037 -2.615 2.968 66 HD13 ILE 8 HD13 ILE 8 1.115 -2.270 1.616 67 H TYR 9 HN TYR 9 -4.305 0.864 0.587 68 HA TYR 9 HA TYR 9 -6.242 1.458 2.612 69 HB2 TYR 9 HB2 TYR 9 -6.482 1.259 -0.399 70 HB3 TYR 9 HB1 TYR 9 -7.769 1.801 0.671 71 HD1 TYR 9 HD1 TYR 9 -4.509 2.672 -0.795 72 HD2 TYR 9 HD2 TYR 9 -7.688 4.027 1.674 73 HE1 TYR 9 HE1 TYR 9 -3.604 4.948 -0.904 74 HE2 TYR 9 HE2 TYR 9 -6.792 6.324 1.560 75 HH TYR 9 HH TYR 9 -4.632 7.411 1.147 76 H THR 10 HN THR 10 -7.485 -0.058 3.586 77 HA THR 10 HA THR 10 -7.892 -2.608 2.225 78 HB THR 10 HB THR 10 -7.552 -3.705 4.469 79 HG1 THR 10 HG1 THR 10 -6.480 -2.574 6.044 80 HG21 THR 10 HG21 THR 10 -5.823 -3.875 2.710 81 HG22 THR 10 HG22 THR 10 -5.100 -3.799 4.317 82 HG23 THR 10 HG23 THR 10 -5.110 -2.367 3.287 83 H THR 11 HN THR 11 -9.378 -3.939 3.798 84 HA THR 11 HA THR 11 -11.344 -2.339 5.202 85 HB THR 11 HB THR 11 -12.060 -4.607 3.276 86 HG1 THR 11 HG1 THR 11 -11.417 -2.081 2.742 87 HG21 THR 11 HG21 THR 11 -13.659 -4.217 5.107 88 HG22 THR 11 HG22 THR 11 -14.357 -3.767 3.551 89 HG23 THR 11 HG23 THR 11 -13.776 -2.518 4.650 90 H SER 12 HN SER 12 -12.213 -3.650 6.907 91 HA SER 12 HA SER 12 -10.631 -5.489 8.133 92 HB2 SER 12 HB2 SER 12 -12.801 -6.215 9.276 93 HB3 SER 12 HB1 SER 12 -12.398 -4.497 9.348 94 HG SER 12 HG SER 12 -13.992 -4.021 7.950 95 H TRP 13 HN TRP 13 -13.229 -6.189 5.820 96 HA TRP 13 HA TRP 13 -12.066 -8.855 5.521 97 HB2 TRP 13 HB2 TRP 13 -14.187 -9.631 4.635 98 HB3 TRP 13 HB1 TRP 13 -14.444 -8.900 6.221 99 HD1 TRP 13 HD1 TRP 13 -15.079 -8.341 2.509 100 HE1 TRP 13 HE1 TRP 13 -16.898 -6.615 2.226 101 HE3 TRP 13 HE3 TRP 13 -15.671 -6.998 7.393 102 HZ2 TRP 13 HZ2 TRP 13 -18.456 -4.908 3.836 103 HZ3 TRP 13 HZ3 TRP 13 -17.375 -5.305 7.932 104 HH2 TRP 13 HH2 TRP 13 -18.729 -4.291 6.188 105 H CYS 14 HN CYS 14 -11.049 -9.342 3.708 106 HA CYS 14 HA CYS 14 -11.940 -8.372 1.210 107 HB2 CYS 14 HB2 CYS 14 -10.545 -6.420 2.026 108 HB3 CYS 14 HB1 CYS 14 -9.161 -7.511 2.046 109 H GLY 15 HN GLY 15 -11.228 -9.700 -0.411 110 HA2 GLY 15 HA2 GLY 15 -9.702 -12.020 0.487 111 HA3 GLY 15 HA1 GLY 15 -10.672 -11.909 -0.979 112 H TYR 16 HN TYR 16 -9.750 -9.671 -2.124 113 HA TYR 16 HA TYR 16 -7.379 -10.680 -3.317 114 HB2 TYR 16 HB2 TYR 16 -9.166 -9.600 -4.630 115 HB3 TYR 16 HB1 TYR 16 -8.836 -8.078 -3.814 116 HD1 TYR 16 HD2 TYR 16 -7.112 -10.676 -5.853 117 HD2 TYR 16 HD1 TYR 16 -7.410 -6.568 -4.833 118 HE1 TYR 16 HE2 TYR 16 -5.426 -10.141 -7.553 119 HE2 TYR 16 HE1 TYR 16 -5.721 -6.019 -6.534 120 HH TYR 16 HH TYR 16 -3.899 -7.104 -7.730 121 H CYS 17 HN CYS 17 -8.080 -8.054 -1.076 122 HA CYS 17 HA CYS 17 -5.666 -6.677 -1.239 123 HB2 CYS 17 HB2 CYS 17 -7.273 -7.056 1.290 124 HB3 CYS 17 HB1 CYS 17 -6.228 -5.701 0.886 125 H LEU 18 HN LEU 18 -6.631 -9.546 0.533 126 HA LEU 18 HA LEU 18 -4.531 -9.646 2.394 127 HB2 LEU 18 HB2 LEU 18 -6.738 -10.761 2.558 128 HB3 LEU 18 HB1 LEU 18 -6.178 -11.929 1.376 129 HG LEU 18 HG LEU 18 -4.409 -12.650 2.913 130 HD11 LEU 18 HD11 LEU 18 -5.655 -10.660 4.820 131 HD12 LEU 18 HD12 LEU 18 -4.022 -10.582 4.144 132 HD13 LEU 18 HD13 LEU 18 -4.460 -11.878 5.247 133 HD21 LEU 18 HD21 LEU 18 -6.581 -13.713 2.919 134 HD22 LEU 18 HD22 LEU 18 -7.116 -12.546 4.137 135 HD23 LEU 18 HD23 LEU 18 -5.844 -13.717 4.531 136 H ARG 19 HN ARG 19 -4.822 -10.721 -0.883 137 HA ARG 19 HA ARG 19 -2.806 -12.621 -1.191 138 HB2 ARG 19 HB2 ARG 19 -4.347 -12.037 -2.981 139 HB3 ARG 19 HB1 ARG 19 -3.719 -10.404 -3.033 140 HG2 ARG 19 HG2 ARG 19 -1.517 -11.377 -3.779 141 HG3 ARG 19 HG1 ARG 19 -2.342 -12.933 -3.926 142 HD2 ARG 19 HD2 ARG 19 -3.926 -11.963 -5.505 143 HD3 ARG 19 HD1 ARG 19 -3.158 -10.391 -5.334 144 HE ARG 19 HE ARG 19 -1.540 -12.622 -6.314 145 HH11 ARG 19 HH11 ARG 19 -3.146 -9.512 -7.044 146 HH12 ARG 19 HH12 ARG 19 -2.423 -9.388 -8.569 147 HH21 ARG 19 HH21 ARG 19 -0.592 -12.367 -8.418 148 HH22 ARG 19 HH22 ARG 19 -0.947 -10.997 -9.366 149 H LEU 20 HN LEU 20 -2.594 -9.111 -1.552 150 HA LEU 20 HA LEU 20 0.233 -9.187 -1.871 151 HB2 LEU 20 HB2 LEU 20 -1.049 -7.540 -3.079 152 HB3 LEU 20 HB1 LEU 20 -1.747 -6.931 -1.600 153 HG LEU 20 HG LEU 20 0.634 -6.179 -1.000 154 HD11 LEU 20 HD11 LEU 20 1.053 -6.714 -3.936 155 HD12 LEU 20 HD12 LEU 20 2.081 -7.251 -2.578 156 HD13 LEU 20 HD13 LEU 20 1.981 -5.572 -3.008 157 HD21 LEU 20 HD21 LEU 20 -0.895 -4.923 -3.248 158 HD22 LEU 20 HD22 LEU 20 0.377 -4.120 -2.317 159 HD23 LEU 20 HD23 LEU 20 -1.112 -4.635 -1.520 160 H LYS 21 HN LYS 21 -2.066 -8.375 0.610 161 HA LYS 21 HA LYS 21 -0.513 -6.994 2.459 162 HB2 LYS 21 HB2 LYS 21 -3.050 -7.430 2.328 163 HB3 LYS 21 HB1 LYS 21 -2.693 -8.905 3.208 164 HG2 LYS 21 HG2 LYS 21 -1.757 -7.594 5.030 165 HG3 LYS 21 HG1 LYS 21 -2.117 -6.111 4.146 166 HD2 LYS 21 HD2 LYS 21 -4.520 -6.840 4.110 167 HD3 LYS 21 HD1 LYS 21 -4.070 -8.132 5.225 168 HE2 LYS 21 HE2 LYS 21 -3.780 -5.167 5.696 169 HE3 LYS 21 HE1 LYS 21 -4.998 -6.220 6.402 170 HZ1 LYS 21 HZ1 LYS 21 -2.064 -6.477 6.898 171 HZ2 LYS 21 HZ2 LYS 21 -3.303 -7.355 7.634 172 HZ3 LYS 21 HZ3 LYS 21 -3.191 -5.693 7.881 173 H THR 22 HN THR 22 -1.079 -10.484 2.129 174 HA THR 22 HA THR 22 0.391 -11.176 4.467 175 HB THR 22 HB THR 22 -0.298 -13.003 2.137 176 HG1 THR 22 HG1 THR 22 -2.203 -12.074 2.782 177 HG21 THR 22 HG21 THR 22 1.241 -13.926 3.830 178 HG22 THR 22 HG22 THR 22 -0.322 -14.745 3.870 179 HG23 THR 22 HG23 THR 22 0.077 -13.543 5.098 180 H ALA 23 HN ALA 23 1.169 -10.751 1.081 181 HA ALA 23 HA ALA 23 3.669 -12.075 1.014 182 HB1 ALA 23 HB1 ALA 23 4.055 -10.794 -1.038 183 HB2 ALA 23 HB2 ALA 23 2.676 -9.766 -0.658 184 HB3 ALA 23 HB3 ALA 23 2.424 -11.468 -1.025 185 H LEU 24 HN LEU 24 2.697 -8.737 1.512 186 HA LEU 24 HA LEU 24 5.276 -7.651 1.753 187 HB2 LEU 24 HB2 LEU 24 2.709 -6.639 2.968 188 HB3 LEU 24 HB1 LEU 24 4.164 -5.703 2.726 189 HG LEU 24 HG LEU 24 2.356 -6.808 0.589 190 HD11 LEU 24 HD11 LEU 24 2.988 -4.000 1.429 191 HD12 LEU 24 HD12 LEU 24 1.477 -4.868 1.699 192 HD13 LEU 24 HD13 LEU 24 1.983 -4.462 0.057 193 HD21 LEU 24 HD21 LEU 24 4.661 -6.938 -0.172 194 HD22 LEU 24 HD22 LEU 24 4.920 -5.256 0.293 195 HD23 LEU 24 HD23 LEU 24 3.804 -5.647 -1.015 196 H THR 25 HN THR 25 2.993 -8.813 4.168 197 HA THR 25 HA THR 25 4.497 -8.192 6.435 198 HB THR 25 HB THR 25 2.576 -10.515 6.083 199 HG1 THR 25 HG1 THR 25 1.402 -8.705 5.534 200 HG21 THR 25 HG21 THR 25 3.355 -8.911 8.531 201 HG22 THR 25 HG22 THR 25 3.881 -10.555 8.181 202 HG23 THR 25 HG23 THR 25 2.177 -10.222 8.489 203 H ALA 26 HN ALA 26 4.561 -11.021 4.301 204 HA ALA 26 HA ALA 26 6.377 -12.535 5.905 205 HB1 ALA 26 HB1 ALA 26 4.821 -13.612 4.364 206 HB2 ALA 26 HB2 ALA 26 6.490 -14.031 3.969 207 HB3 ALA 26 HB3 ALA 26 5.623 -12.837 3.000 208 H ASN 27 HN ASN 27 6.720 -10.002 3.649 209 HA ASN 27 HA ASN 27 9.538 -10.594 3.106 210 HB2 ASN 27 HB2 ASN 27 7.460 -9.271 1.635 211 HB3 ASN 27 HB1 ASN 27 8.704 -8.106 2.002 212 HD21 ASN 27 HD21 ASN 27 8.009 -11.058 0.313 213 HD22 ASN 27 HD22 ASN 27 9.442 -11.056 -0.639 214 H ARG 28 HN ARG 28 8.064 -9.423 5.619 215 HA ARG 28 HA ARG 28 8.529 -8.060 7.358 216 HB2 ARG 28 HB2 ARG 28 11.233 -7.872 6.014 217 HB3 ARG 28 HB1 ARG 28 10.872 -7.070 7.530 218 HG2 ARG 28 HG2 ARG 28 10.369 -9.278 8.525 219 HG3 ARG 28 HG1 ARG 28 10.858 -10.036 7.007 220 HD2 ARG 28 HD2 ARG 28 13.085 -9.120 7.227 221 HD3 ARG 28 HD1 ARG 28 12.616 -8.237 8.680 222 HE ARG 28 HE ARG 28 12.157 -11.024 8.929 223 HH11 ARG 28 HH11 ARG 28 14.788 -8.623 9.123 224 HH12 ARG 28 HH12 ARG 28 15.725 -9.551 10.199 225 HH21 ARG 28 HH21 ARG 28 13.480 -12.268 10.399 226 HH22 ARG 28 HH22 ARG 28 14.962 -11.620 10.965 227 H ILE 29 HN ILE 29 7.335 -6.970 4.921 228 HA ILE 29 HA ILE 29 8.298 -4.225 4.901 229 HB ILE 29 HB ILE 29 6.121 -5.585 3.285 230 HG12 ILE 29 HG12 ILE 29 8.906 -4.705 2.429 231 HG13 ILE 29 HG11 ILE 29 8.404 -6.351 2.743 232 HG21 ILE 29 HG21 ILE 29 7.249 -2.800 3.050 233 HG22 ILE 29 HG22 ILE 29 5.623 -3.232 3.558 234 HG23 ILE 29 HG23 ILE 29 6.138 -3.539 1.894 235 HD11 ILE 29 HD11 ILE 29 7.335 -4.562 0.574 236 HD12 ILE 29 HD12 ILE 29 6.863 -6.238 0.863 237 HD13 ILE 29 HD13 ILE 29 8.516 -5.856 0.375 238 H ALA 30 HN ALA 30 7.449 -2.796 6.256 239 HA ALA 30 HA ALA 30 5.023 -3.430 7.698 240 HB1 ALA 30 HB1 ALA 30 6.959 -2.517 8.909 241 HB2 ALA 30 HB2 ALA 30 5.548 -1.465 9.031 242 HB3 ALA 30 HB3 ALA 30 6.863 -1.055 7.926 243 H TYR 31 HN TYR 31 3.180 -2.109 7.663 244 HA TYR 31 HA TYR 31 2.985 -0.004 5.725 245 HB2 TYR 31 HB2 TYR 31 1.096 -1.117 4.528 246 HB3 TYR 31 HB1 TYR 31 2.649 -1.895 4.255 247 HD1 TYR 31 HD1 TYR 31 3.086 -4.129 5.149 248 HD2 TYR 31 HD2 TYR 31 -0.681 -2.247 5.761 249 HE1 TYR 31 HE1 TYR 31 2.128 -6.280 5.832 250 HE2 TYR 31 HE2 TYR 31 -1.646 -4.409 6.446 251 HH TYR 31 HH TYR 31 0.308 -7.146 7.099 252 H ASP 32 HN ASP 32 1.174 1.277 6.091 253 HA ASP 32 HA ASP 32 -0.303 0.561 8.514 254 HB2 ASP 32 HB2 ASP 32 1.051 2.687 8.566 255 HB3 ASP 32 HB1 ASP 32 0.029 3.299 7.266 256 H GLU 33 HN GLU 33 -2.286 -0.143 8.095 257 HA GLU 33 HA GLU 33 -3.383 0.431 5.489 258 HB2 GLU 33 HB2 GLU 33 -5.036 -1.291 5.976 259 HB3 GLU 33 HB1 GLU 33 -3.405 -1.880 6.198 260 HG2 GLU 33 HG2 GLU 33 -3.693 -1.612 8.638 261 HG3 GLU 33 HG1 GLU 33 -5.367 -1.139 8.350 262 H VAL 34 HN VAL 34 -5.440 1.263 5.165 263 HA VAL 34 HA VAL 34 -5.896 3.448 7.033 264 HB VAL 34 HB VAL 34 -7.210 3.197 4.327 265 HG11 VAL 34 HG11 VAL 34 -6.574 5.593 5.987 266 HG12 VAL 34 HG12 VAL 34 -8.163 4.861 5.702 267 HG13 VAL 34 HG13 VAL 34 -7.279 5.598 4.368 268 HG21 VAL 34 HG21 VAL 34 -5.364 4.503 3.395 269 HG22 VAL 34 HG22 VAL 34 -4.807 2.940 3.996 270 HG23 VAL 34 HG23 VAL 34 -4.520 4.402 4.940 271 H ASP 35 HN ASP 35 -7.850 4.139 7.686 272 HA ASP 35 HA ASP 35 -9.713 2.216 8.674 273 HB2 ASP 35 HB2 ASP 35 -8.761 4.099 10.026 274 HB3 ASP 35 HB1 ASP 35 -9.672 5.229 9.040 275 H ILE 36 HN ILE 36 -9.705 3.402 5.706 276 HA ILE 36 HA ILE 36 -11.755 5.147 5.102 277 HB ILE 36 HB ILE 36 -11.967 4.219 2.849 278 HG12 ILE 36 HG12 ILE 36 -9.958 2.130 3.587 279 HG13 ILE 36 HG11 ILE 36 -11.688 1.793 3.693 280 HG21 ILE 36 HG21 ILE 36 -10.138 5.728 3.326 281 HG22 ILE 36 HG22 ILE 36 -9.666 4.532 2.137 282 HG23 ILE 36 HG23 ILE 36 -9.122 4.372 3.809 283 HD11 ILE 36 HD11 ILE 36 -11.946 2.215 1.317 284 HD12 ILE 36 HD12 ILE 36 -10.688 1.014 1.546 285 HD13 ILE 36 HD13 ILE 36 -10.269 2.699 1.187 286 H GLU 37 HN GLU 37 -12.429 1.819 6.002 287 HA GLU 37 HA GLU 37 -14.999 1.841 4.739 288 HB2 GLU 37 HB2 GLU 37 -15.383 -0.268 5.828 289 HB3 GLU 37 HB1 GLU 37 -13.714 -0.208 5.273 290 HG2 GLU 37 HG2 GLU 37 -13.076 0.444 7.618 291 HG3 GLU 37 HG1 GLU 37 -14.733 0.071 8.073 292 H HIS 38 HN HIS 38 -13.680 3.015 7.582 293 HA HIS 38 HA HIS 38 -16.286 3.635 8.764 294 HB2 HIS 38 HB2 HIS 38 -14.851 2.301 10.190 295 HB3 HIS 38 HB1 HIS 38 -13.510 3.397 9.928 296 HD1 HIS 38 HD1 HIS 38 -13.111 4.893 11.787 297 HD2 HIS 38 HD2 HIS 38 -17.077 3.726 11.579 298 HE1 HIS 38 HE1 HIS 38 -14.248 5.894 13.847 299 H ASN 39 HN ASN 39 -13.190 4.913 7.698 300 HA ASN 39 HA ASN 39 -13.911 7.678 8.341 301 HB2 ASN 39 HB2 ASN 39 -11.578 6.934 8.656 302 HB3 ASN 39 HB1 ASN 39 -11.464 6.607 6.931 303 HD21 ASN 39 HD21 ASN 39 -10.033 8.074 6.326 304 HD22 ASN 39 HD22 ASN 39 -10.080 9.763 6.584 305 H ARG 40 HN ARG 40 -15.187 8.745 6.962 306 HA ARG 40 HA ARG 40 -15.529 7.865 4.265 307 HB2 ARG 40 HB2 ARG 40 -17.049 9.756 3.951 308 HB3 ARG 40 HB1 ARG 40 -17.415 8.904 5.442 309 HG2 ARG 40 HG2 ARG 40 -16.387 10.647 6.752 310 HG3 ARG 40 HG1 ARG 40 -15.818 11.456 5.297 311 HD2 ARG 40 HD2 ARG 40 -18.719 11.002 5.980 312 HD3 ARG 40 HD1 ARG 40 -17.844 12.493 6.312 313 HE ARG 40 HE ARG 40 -17.667 11.730 3.571 314 HH11 ARG 40 HH11 ARG 40 -19.870 13.247 5.862 315 HH12 ARG 40 HH12 ARG 40 -20.622 14.235 4.698 316 HH21 ARG 40 HH21 ARG 40 -18.673 13.064 2.005 317 HH22 ARG 40 HH22 ARG 40 -19.919 14.154 2.449 318 H ALA 41 HN ALA 41 -13.499 10.252 5.774 319 HA ALA 41 HA ALA 41 -13.172 11.792 3.448 320 HB1 ALA 41 HB1 ALA 41 -12.802 12.753 5.656 321 HB2 ALA 41 HB2 ALA 41 -11.419 13.011 4.596 322 HB3 ALA 41 HB3 ALA 41 -11.349 11.789 5.855 323 H ALA 42 HN ALA 42 -11.111 9.270 4.763 324 HA ALA 42 HA ALA 42 -9.308 9.569 2.551 325 HB1 ALA 42 HB1 ALA 42 -9.517 7.297 4.530 326 HB2 ALA 42 HB2 ALA 42 -8.479 8.713 4.685 327 HB3 ALA 42 HB3 ALA 42 -8.197 7.552 3.389 328 H ALA 43 HN ALA 43 -12.206 7.791 3.146 329 HA ALA 43 HA ALA 43 -11.947 5.853 1.099 330 HB1 ALA 43 HB1 ALA 43 -13.583 5.727 2.930 331 HB2 ALA 43 HB2 ALA 43 -14.358 5.577 1.347 332 HB3 ALA 43 HB3 ALA 43 -14.445 7.102 2.245 333 H GLU 44 HN GLU 44 -13.343 9.057 1.273 334 HA GLU 44 HA GLU 44 -14.259 9.421 -1.324 335 HB2 GLU 44 HB2 GLU 44 -14.706 10.879 0.604 336 HB3 GLU 44 HB1 GLU 44 -13.028 11.370 0.624 337 HG2 GLU 44 HG2 GLU 44 -13.310 12.452 -1.534 338 HG3 GLU 44 HG1 GLU 44 -14.994 11.925 -1.573 339 H PHE 45 HN PHE 45 -11.104 9.841 0.126 340 HA PHE 45 HA PHE 45 -9.788 11.038 -2.052 341 HB2 PHE 45 HB2 PHE 45 -8.937 11.148 0.255 342 HB3 PHE 45 HB1 PHE 45 -8.629 9.416 0.227 343 HD1 PHE 45 HD2 PHE 45 -7.606 12.669 -1.144 344 HD2 PHE 45 HD1 PHE 45 -6.693 8.535 -0.801 345 HE1 PHE 45 HE2 PHE 45 -5.366 13.103 -2.059 346 HE2 PHE 45 HE1 PHE 45 -4.452 8.948 -1.726 347 HZ PHE 45 HZ PHE 45 -3.783 11.248 -2.356 348 H VAL 46 HN VAL 46 -10.385 7.681 -1.217 349 HA VAL 46 HA VAL 46 -8.587 6.433 -2.980 350 HB VAL 46 HB VAL 46 -11.339 5.437 -2.129 351 HG11 VAL 46 HG11 VAL 46 -10.503 4.196 -4.057 352 HG12 VAL 46 HG12 VAL 46 -10.485 3.188 -2.608 353 HG13 VAL 46 HG13 VAL 46 -8.985 3.888 -3.213 354 HG21 VAL 46 HG21 VAL 46 -10.152 4.175 -0.411 355 HG22 VAL 46 HG22 VAL 46 -9.895 5.912 -0.226 356 HG23 VAL 46 HG23 VAL 46 -8.631 4.903 -0.924 357 H GLY 47 HN GLY 47 -11.738 7.828 -3.452 358 HA2 GLY 47 HA2 GLY 47 -12.273 6.897 -6.056 359 HA3 GLY 47 HA1 GLY 47 -12.972 8.323 -5.302 360 H SER 48 HN SER 48 -10.056 9.259 -4.946 361 HA SER 48 HA SER 48 -9.995 10.704 -7.425 362 HB2 SER 48 HB2 SER 48 -9.523 11.872 -5.312 363 HB3 SER 48 HB1 SER 48 -8.137 10.821 -5.033 364 HG SER 48 HG SER 48 -7.643 11.762 -7.363 365 H VAL 49 HN VAL 49 -8.389 7.929 -6.045 366 HA VAL 49 HA VAL 49 -6.437 8.126 -8.191 367 HB VAL 49 HB VAL 49 -5.094 6.365 -7.044 368 HG11 VAL 49 HG11 VAL 49 -4.294 7.804 -5.220 369 HG12 VAL 49 HG12 VAL 49 -5.733 8.810 -5.403 370 HG13 VAL 49 HG13 VAL 49 -4.563 8.698 -6.717 371 HG21 VAL 49 HG21 VAL 49 -6.834 5.238 -5.754 372 HG22 VAL 49 HG22 VAL 49 -7.109 6.712 -4.822 373 HG23 VAL 49 HG23 VAL 49 -5.568 5.864 -4.689 374 H ASN 50 HN ASN 50 -9.174 6.253 -7.287 375 HA ASN 50 HA ASN 50 -8.967 4.985 -9.863 376 HB2 ASN 50 HB2 ASN 50 -9.523 2.721 -9.038 377 HB3 ASN 50 HB1 ASN 50 -7.958 3.247 -8.446 378 HD21 ASN 50 HD21 ASN 50 -7.661 3.445 -6.276 379 HD22 ASN 50 HD22 ASN 50 -8.832 2.979 -5.098 380 H GLY 51 HN GLY 51 -11.009 4.138 -10.610 381 HA2 GLY 51 HA2 GLY 51 -13.320 5.005 -9.059 382 HA3 GLY 51 HA1 GLY 51 -13.075 5.724 -10.649 383 H GLY 52 HN GLY 52 -15.353 4.398 -10.275 384 HA2 GLY 52 HA2 GLY 52 -16.597 2.872 -11.516 385 HA3 GLY 52 HA1 GLY 52 -15.095 2.139 -12.087 386 H ASN 53 HN ASN 53 -13.970 0.773 -10.717 387 HA ASN 53 HA ASN 53 -15.601 -0.485 -8.618 388 HB2 ASN 53 HB2 ASN 53 -13.227 -1.527 -10.198 389 HB3 ASN 53 HB1 ASN 53 -13.888 -2.351 -8.800 390 HD21 ASN 53 HD21 ASN 53 -15.803 -3.446 -8.993 391 HD22 ASN 53 HD22 ASN 53 -16.538 -3.798 -10.508 392 H ARG 54 HN ARG 54 -14.988 -0.015 -6.570 393 HA ARG 54 HA ARG 54 -12.710 1.591 -6.177 394 HB2 ARG 54 HB2 ARG 54 -14.596 1.807 -4.628 395 HB3 ARG 54 HB1 ARG 54 -14.381 0.140 -4.105 396 HG2 ARG 54 HG2 ARG 54 -12.293 0.652 -3.091 397 HG3 ARG 54 HG1 ARG 54 -12.300 2.276 -3.774 398 HD2 ARG 54 HD2 ARG 54 -12.943 2.297 -1.427 399 HD3 ARG 54 HD1 ARG 54 -14.247 2.841 -2.474 400 HE ARG 54 HE ARG 54 -14.433 0.054 -1.883 401 HH11 ARG 54 HH11 ARG 54 -15.255 3.300 -0.772 402 HH12 ARG 54 HH12 ARG 54 -16.372 2.805 0.387 403 HH21 ARG 54 HH21 ARG 54 -16.041 -0.675 -0.346 404 HH22 ARG 54 HH22 ARG 54 -16.841 0.457 0.653 405 H THR 55 HN THR 55 -10.845 0.915 -6.495 406 HA THR 55 HA THR 55 -10.041 -1.800 -6.112 407 HB THR 55 HB THR 55 -8.332 0.637 -6.649 408 HG1 THR 55 HG1 THR 55 -10.297 -0.086 -8.112 409 HG21 THR 55 HG21 THR 55 -8.011 -2.305 -7.231 410 HG22 THR 55 HG22 THR 55 -7.101 -1.376 -6.038 411 HG23 THR 55 HG23 THR 55 -6.889 -1.052 -7.761 412 H VAL 56 HN VAL 56 -9.703 -2.467 -4.080 413 HA VAL 56 HA VAL 56 -9.373 -0.505 -2.052 414 HB VAL 56 HB VAL 56 -9.085 -3.423 -1.515 415 HG11 VAL 56 HG11 VAL 56 -10.022 -1.107 0.161 416 HG12 VAL 56 HG12 VAL 56 -8.411 -1.758 0.170 417 HG13 VAL 56 HG13 VAL 56 -9.767 -2.761 0.740 418 HG21 VAL 56 HG21 VAL 56 -11.430 -3.483 -1.012 419 HG22 VAL 56 HG22 VAL 56 -11.191 -3.023 -2.721 420 HG23 VAL 56 HG23 VAL 56 -11.587 -1.793 -1.505 421 HA PRO 57 HA PRO 57 -5.517 -2.652 -1.052 422 HB2 PRO 57 HB2 PRO 57 -3.970 -4.230 -2.652 423 HB3 PRO 57 HB1 PRO 57 -5.337 -4.804 -1.682 424 HG2 PRO 57 HG2 PRO 57 -5.320 -3.944 -4.557 425 HG3 PRO 57 HG1 PRO 57 -5.963 -5.447 -3.857 426 HD2 PRO 57 HD2 PRO 57 -7.551 -3.381 -4.399 427 HD3 PRO 57 HD1 PRO 57 -7.749 -4.448 -2.961 428 H THR 58 HN THR 58 -5.693 -0.371 -2.441 429 HA THR 58 HA THR 58 -3.617 0.286 -4.275 430 HB THR 58 HB THR 58 -5.719 1.847 -2.742 431 HG1 THR 58 HG1 THR 58 -6.937 0.884 -4.165 432 HG21 THR 58 HG21 THR 58 -3.847 3.321 -3.459 433 HG22 THR 58 HG22 THR 58 -5.321 3.654 -4.374 434 HG23 THR 58 HG23 THR 58 -4.023 2.716 -5.110 435 H VAL 59 HN VAL 59 -1.717 1.314 -3.639 436 HA VAL 59 HA VAL 59 -1.414 1.806 -0.775 437 HB VAL 59 HB VAL 59 -0.177 -0.229 -1.349 438 HG11 VAL 59 HG11 VAL 59 1.145 1.447 -3.416 439 HG12 VAL 59 HG12 VAL 59 0.103 0.056 -3.683 440 HG13 VAL 59 HG13 VAL 59 1.700 -0.161 -2.933 441 HG21 VAL 59 HG21 VAL 59 2.082 0.404 -0.615 442 HG22 VAL 59 HG22 VAL 59 0.853 1.250 0.326 443 HG23 VAL 59 HG23 VAL 59 1.718 2.094 -0.954 444 H LYS 60 HN LYS 60 -0.569 3.648 -0.199 445 HA LYS 60 HA LYS 60 0.484 5.430 -2.275 446 HB2 LYS 60 HB2 LYS 60 -1.613 6.227 -1.221 447 HB3 LYS 60 HB1 LYS 60 -0.838 6.124 0.353 448 HG2 LYS 60 HG2 LYS 60 0.739 7.859 -0.270 449 HG3 LYS 60 HG1 LYS 60 0.062 7.921 -1.897 450 HD2 LYS 60 HD2 LYS 60 -0.839 9.754 -0.638 451 HD3 LYS 60 HD1 LYS 60 -2.114 8.565 -0.899 452 HE2 LYS 60 HE2 LYS 60 -2.248 9.375 1.362 453 HE3 LYS 60 HE1 LYS 60 -1.711 7.700 1.402 454 HZ1 LYS 60 HZ1 LYS 60 0.003 10.097 1.658 455 HZ2 LYS 60 HZ2 LYS 60 0.595 8.539 1.704 456 HZ3 LYS 60 HZ3 LYS 60 -0.451 9.103 2.924 457 H PHE 61 HN PHE 61 2.507 6.045 -2.026 458 HA PHE 61 HA PHE 61 3.894 5.211 0.392 459 HB2 PHE 61 HB2 PHE 61 4.920 5.900 -2.368 460 HB3 PHE 61 HB1 PHE 61 5.959 5.577 -0.990 461 HD1 PHE 61 HD1 PHE 61 3.578 4.058 -3.374 462 HD2 PHE 61 HD2 PHE 61 6.302 3.399 -0.184 463 HE1 PHE 61 HE1 PHE 61 3.510 1.618 -3.804 464 HE2 PHE 61 HE2 PHE 61 6.226 1.012 -0.587 465 HZ PHE 61 HZ PHE 61 4.825 0.104 -2.419 466 H ALA 62 HN ALA 62 5.341 6.599 1.381 467 HA ALA 62 HA ALA 62 4.336 9.160 1.903 468 HB1 ALA 62 HB1 ALA 62 6.191 9.422 3.412 469 HB2 ALA 62 HB2 ALA 62 7.044 8.083 2.644 470 HB3 ALA 62 HB3 ALA 62 5.550 7.782 3.531 471 H ASP 63 HN ASP 63 6.279 8.257 -0.681 472 HA ASP 63 HA ASP 63 7.683 10.801 -0.914 473 HB2 ASP 63 HB2 ASP 63 8.813 9.826 -2.770 474 HB3 ASP 63 HB1 ASP 63 8.681 8.542 -1.572 475 H GLY 64 HN GLY 64 4.723 9.409 -1.761 476 HA2 GLY 64 HA2 GLY 64 3.006 10.879 -2.630 477 HA3 GLY 64 HA1 GLY 64 4.228 11.582 -3.680 478 H SER 65 HN SER 65 4.787 8.299 -3.656 479 HA SER 65 HA SER 65 3.556 8.036 -6.228 480 HB2 SER 65 HB2 SER 65 5.140 6.060 -4.573 481 HB3 SER 65 HB1 SER 65 4.584 5.776 -6.218 482 HG SER 65 HG SER 65 6.529 7.591 -5.263 483 H THR 66 HN THR 66 1.587 7.105 -6.621 484 HA THR 66 HA THR 66 0.500 5.393 -4.509 485 HB THR 66 HB THR 66 -1.685 5.786 -5.819 486 HG1 THR 66 HG1 THR 66 -0.597 6.747 -7.621 487 HG21 THR 66 HG21 THR 66 -2.193 7.877 -4.659 488 HG22 THR 66 HG22 THR 66 -0.473 8.156 -4.374 489 HG23 THR 66 HG23 THR 66 -1.292 6.787 -3.611 490 H LEU 67 HN LEU 67 0.008 3.360 -5.087 491 HA LEU 67 HA LEU 67 0.349 2.635 -7.893 492 HB2 LEU 67 HB2 LEU 67 1.664 1.383 -5.496 493 HB3 LEU 67 HB1 LEU 67 1.256 0.378 -6.863 494 HG LEU 67 HG LEU 67 2.709 1.821 -8.287 495 HD11 LEU 67 HD11 LEU 67 2.744 3.868 -7.083 496 HD12 LEU 67 HD12 LEU 67 4.377 3.273 -7.330 497 HD13 LEU 67 HD13 LEU 67 3.628 3.148 -5.745 498 HD21 LEU 67 HD21 LEU 67 4.057 0.450 -5.969 499 HD22 LEU 67 HD22 LEU 67 4.849 0.936 -7.463 500 HD23 LEU 67 HD23 LEU 67 3.564 -0.264 -7.502 501 H THR 68 HN THR 68 -1.404 1.818 -8.643 502 HA THR 68 HA THR 68 -3.404 0.742 -6.824 503 HB THR 68 HB THR 68 -3.660 1.415 -9.779 504 HG1 THR 68 HG1 THR 68 -3.201 3.385 -8.917 505 HG21 THR 68 HG21 THR 68 -5.695 1.242 -7.542 506 HG22 THR 68 HG22 THR 68 -5.451 0.029 -8.797 507 HG23 THR 68 HG23 THR 68 -6.043 1.636 -9.226 508 H ASN 69 HN ASN 69 -3.345 -1.409 -6.565 509 HA ASN 69 HA ASN 69 -2.825 -3.569 -6.746 510 HB2 ASN 69 HB2 ASN 69 -3.803 -3.182 -9.574 511 HB3 ASN 69 HB1 ASN 69 -3.342 -4.744 -8.934 512 HD21 ASN 69 HD21 ASN 69 -5.827 -4.002 -9.969 513 HD22 ASN 69 HD22 ASN 69 -7.004 -4.223 -8.730 514 HA PRO 70 HA PRO 70 1.272 -3.404 -8.721 515 HB2 PRO 70 HB2 PRO 70 2.828 -2.873 -6.686 516 HB3 PRO 70 HB1 PRO 70 1.832 -1.573 -7.364 517 HG2 PRO 70 HG2 PRO 70 1.362 -3.240 -4.923 518 HG3 PRO 70 HG1 PRO 70 1.177 -1.479 -5.108 519 HD2 PRO 70 HD2 PRO 70 -0.900 -3.336 -5.294 520 HD3 PRO 70 HD1 PRO 70 -0.926 -1.701 -5.981 521 H SER 71 HN SER 71 3.102 -4.884 -8.265 522 HA SER 71 HA SER 71 2.304 -7.264 -6.809 523 HB2 SER 71 HB2 SER 71 3.382 -7.433 -9.102 524 HB3 SER 71 HB1 SER 71 4.829 -6.707 -8.389 525 HG SER 71 HG SER 71 5.328 -8.745 -8.058 526 H ALA 72 HN ALA 72 3.889 -8.163 -5.272 527 HA ALA 72 HA ALA 72 4.677 -6.364 -3.268 528 HB1 ALA 72 HB1 ALA 72 5.827 -8.282 -2.266 529 HB2 ALA 72 HB2 ALA 72 5.686 -9.137 -3.808 530 HB3 ALA 72 HB3 ALA 72 4.234 -8.745 -2.888 531 H ASP 73 HN ASP 73 6.287 -7.616 -6.022 532 HA ASP 73 HA ASP 73 8.987 -7.062 -5.593 533 HB2 ASP 73 HB2 ASP 73 7.440 -6.728 -8.169 534 HB3 ASP 73 HB1 ASP 73 9.183 -6.854 -8.036 535 H GLU 74 HN GLU 74 6.464 -5.051 -6.971 536 HA GLU 74 HA GLU 74 8.014 -2.764 -7.518 537 HB2 GLU 74 HB2 GLU 74 5.050 -3.064 -7.068 538 HB3 GLU 74 HB1 GLU 74 5.831 -1.645 -7.749 539 HG2 GLU 74 HG2 GLU 74 5.865 -4.401 -8.939 540 HG3 GLU 74 HG1 GLU 74 4.839 -3.061 -9.459 541 H VAL 75 HN VAL 75 5.960 -3.717 -4.862 542 HA VAL 75 HA VAL 75 6.036 -1.319 -3.409 543 HB VAL 75 HB VAL 75 5.671 -4.154 -2.397 544 HG11 VAL 75 HG11 VAL 75 4.567 -3.137 -0.476 545 HG12 VAL 75 HG12 VAL 75 4.970 -1.532 -1.087 546 HG13 VAL 75 HG13 VAL 75 6.254 -2.633 -0.587 547 HG21 VAL 75 HG21 VAL 75 4.016 -3.558 -4.072 548 HG22 VAL 75 HG22 VAL 75 3.643 -2.069 -3.203 549 HG23 VAL 75 HG23 VAL 75 3.267 -3.631 -2.477 550 H LYS 76 HN LYS 76 7.954 -4.271 -3.127 551 HA LYS 76 HA LYS 76 9.634 -3.456 -1.050 552 HB2 LYS 76 HB2 LYS 76 9.354 -5.764 -1.763 553 HB3 LYS 76 HB1 LYS 76 10.129 -5.419 -3.308 554 HG2 LYS 76 HG2 LYS 76 12.204 -4.919 -2.063 555 HG3 LYS 76 HG1 LYS 76 11.401 -5.430 -0.567 556 HD2 LYS 76 HD2 LYS 76 10.965 -7.631 -1.669 557 HD3 LYS 76 HD1 LYS 76 11.933 -7.087 -3.037 558 HE2 LYS 76 HE2 LYS 76 13.370 -8.410 -1.686 559 HE3 LYS 76 HE1 LYS 76 13.820 -6.735 -1.409 560 HZ1 LYS 76 HZ1 LYS 76 12.014 -8.265 0.373 561 HZ2 LYS 76 HZ2 LYS 76 12.671 -6.744 0.692 562 HZ3 LYS 76 HZ3 LYS 76 13.658 -8.101 0.638 563 H ALA 77 HN ALA 77 9.979 -3.188 -4.572 564 HA ALA 77 HA ALA 77 12.595 -2.072 -4.577 565 HB1 ALA 77 HB1 ALA 77 10.424 -1.866 -6.663 566 HB2 ALA 77 HB2 ALA 77 11.626 -3.156 -6.546 567 HB3 ALA 77 HB3 ALA 77 12.131 -1.504 -6.905 568 H LYS 78 HN LYS 78 9.378 -0.606 -4.571 569 HA LYS 78 HA LYS 78 10.238 2.081 -4.818 570 HB2 LYS 78 HB2 LYS 78 7.873 1.428 -5.203 571 HB3 LYS 78 HB1 LYS 78 7.744 0.939 -3.524 572 HG2 LYS 78 HG2 LYS 78 6.653 3.027 -3.811 573 HG3 LYS 78 HG1 LYS 78 8.078 3.242 -2.811 574 HD2 LYS 78 HD2 LYS 78 7.888 5.094 -4.345 575 HD3 LYS 78 HD1 LYS 78 9.272 4.113 -4.823 576 HE2 LYS 78 HE2 LYS 78 8.008 3.117 -6.613 577 HE3 LYS 78 HE1 LYS 78 6.530 3.897 -6.058 578 HZ1 LYS 78 HZ1 LYS 78 7.615 5.050 -7.970 579 HZ2 LYS 78 HZ2 LYS 78 8.917 5.411 -6.966 580 HZ3 LYS 78 HZ3 LYS 78 7.395 6.011 -6.616 581 H LEU 79 HN LEU 79 9.554 -0.005 -2.054 582 HA LEU 79 HA LEU 79 9.807 1.900 -0.086 583 HB2 LEU 79 HB2 LEU 79 8.948 -0.548 0.201 584 HB3 LEU 79 HB1 LEU 79 10.609 -0.962 0.164 585 HG LEU 79 HG LEU 79 11.080 0.169 2.206 586 HD11 LEU 79 HD11 LEU 79 9.649 2.056 2.355 587 HD12 LEU 79 HD12 LEU 79 9.203 0.967 3.654 588 HD13 LEU 79 HD13 LEU 79 8.214 1.035 2.213 589 HD21 LEU 79 HD21 LEU 79 8.704 -1.639 2.359 590 HD22 LEU 79 HD22 LEU 79 9.767 -1.256 3.714 591 HD23 LEU 79 HD23 LEU 79 10.396 -2.129 2.315 592 H VAL 80 HN VAL 80 12.227 -0.342 -1.382 593 HA VAL 80 HA VAL 80 14.267 0.566 0.325 594 HB VAL 80 HB VAL 80 15.861 -0.669 -1.137 595 HG11 VAL 80 HG11 VAL 80 14.768 -1.809 0.683 596 HG12 VAL 80 HG12 VAL 80 14.948 -2.897 -0.689 597 HG13 VAL 80 HG13 VAL 80 13.379 -2.156 -0.339 598 HG21 VAL 80 HG21 VAL 80 14.830 -0.331 -3.283 599 HG22 VAL 80 HG22 VAL 80 13.406 -1.205 -2.716 600 HG23 VAL 80 HG23 VAL 80 14.937 -2.071 -2.937 601 H LYS 81 HN LYS 81 13.206 1.776 -2.759 602 HA LYS 81 HA LYS 81 15.646 3.261 -3.088 603 HB2 LYS 81 HB2 LYS 81 14.711 4.251 -5.065 604 HB3 LYS 81 HB1 LYS 81 14.354 2.538 -5.080 605 HG2 LYS 81 HG2 LYS 81 12.077 3.016 -4.344 606 HG3 LYS 81 HG1 LYS 81 12.444 4.740 -4.349 607 HD2 LYS 81 HD2 LYS 81 12.620 2.937 -6.760 608 HD3 LYS 81 HD1 LYS 81 11.253 3.986 -6.394 609 HE2 LYS 81 HE2 LYS 81 14.086 4.969 -6.839 610 HE3 LYS 81 HE1 LYS 81 12.843 4.920 -8.078 611 HZ1 LYS 81 HZ1 LYS 81 11.509 6.427 -6.748 612 HZ2 LYS 81 HZ2 LYS 81 12.985 7.101 -7.134 613 HZ3 LYS 81 HZ3 LYS 81 12.719 6.542 -5.572 614 H ILE 82 HN ILE 82 12.455 3.905 -1.762 615 HA ILE 82 HA ILE 82 13.151 6.671 -1.541 616 HB ILE 82 HB ILE 82 10.953 7.062 -0.461 617 HG12 ILE 82 HG12 ILE 82 9.217 5.143 -0.736 618 HG13 ILE 82 HG11 ILE 82 10.603 4.070 -0.775 619 HG21 ILE 82 HG21 ILE 82 10.859 5.591 -3.071 620 HG22 ILE 82 HG22 ILE 82 11.165 7.309 -2.816 621 HG23 ILE 82 HG23 ILE 82 9.583 6.633 -2.442 622 HD11 ILE 82 HD11 ILE 82 11.217 4.798 1.477 623 HD12 ILE 82 HD12 ILE 82 9.579 4.138 1.421 624 HD13 ILE 82 HD13 ILE 82 9.824 5.883 1.498 625 H ALA 83 HN ALA 83 13.372 3.915 0.428 626 HA ALA 83 HA ALA 83 13.873 5.481 2.805 627 HB1 ALA 83 HB1 ALA 83 14.437 3.334 3.853 628 HB2 ALA 83 HB2 ALA 83 14.340 2.539 2.281 629 HB3 ALA 83 HB3 ALA 83 12.891 3.235 3.006 630 H GLY 84 HN GLY 84 15.657 3.951 0.234 631 HA2 GLY 84 HA2 GLY 84 17.768 4.502 -0.530 632 HA3 GLY 84 HA1 GLY 84 18.030 5.452 0.929 633 H LEU 85 HN LEU 85 17.847 3.978 2.910 634 HA LEU 85 HA LEU 85 19.391 1.510 2.584 635 HB2 LEU 85 HB2 LEU 85 19.954 3.762 4.543 636 HB3 LEU 85 HB1 LEU 85 20.757 2.209 4.544 637 HG LEU 85 HG LEU 85 20.961 4.268 2.343 638 HD11 LEU 85 HD11 LEU 85 23.248 4.568 3.148 639 HD12 LEU 85 HD12 LEU 85 22.918 3.472 4.488 640 HD13 LEU 85 HD13 LEU 85 22.060 5.008 4.372 641 HD21 LEU 85 HD21 LEU 85 22.425 1.653 2.747 642 HD22 LEU 85 HD22 LEU 85 22.775 2.843 1.496 643 HD23 LEU 85 HD23 LEU 85 21.232 1.990 1.494 644 H GLU 86 HN GLU 86 19.544 1.291 5.500 645 HA GLU 86 HA GLU 86 18.457 0.670 7.331 646 HB2 GLU 86 HB2 GLU 86 17.317 2.902 7.184 647 HB3 GLU 86 HB1 GLU 86 16.030 2.142 6.266 648 HG2 GLU 86 HG2 GLU 86 15.378 2.427 8.582 649 HG3 GLU 86 HG1 GLU 86 15.506 0.715 8.177 650 H HIS 87 HN HIS 87 15.760 0.552 5.046 651 HA HIS 87 HA HIS 87 15.183 -2.185 5.856 652 HB2 HIS 87 HB2 HIS 87 13.424 -0.398 5.174 653 HB3 HIS 87 HB1 HIS 87 13.947 -0.711 3.522 654 HD1 HIS 87 HD1 HIS 87 11.700 -2.007 6.143 655 HD2 HIS 87 HD2 HIS 87 13.389 -3.380 2.603 656 HE1 HIS 87 HE1 HIS 87 10.432 -4.078 5.521 657 H HIS 88 HN HIS 88 16.799 -0.447 3.458 658 HA HIS 88 HA HIS 88 17.278 -2.720 1.724 659 HB2 HIS 88 HB2 HIS 88 16.742 -0.567 0.669 660 HB3 HIS 88 HB1 HIS 88 18.025 0.216 1.560 661 HD1 HIS 88 HD1 HIS 88 19.736 0.846 -0.094 662 HD2 HIS 88 HD2 HIS 88 18.222 -2.939 -0.842 663 HE1 HIS 88 HE1 HIS 88 21.063 -0.059 -2.043 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 2.752 5.078 6.267 2 H2 MET 1 HT2 MET 1 1.114 5.177 6.599 3 H3 MET 1 HT3 MET 1 2.225 4.898 7.854 4 HA MET 1 HA MET 1 2.124 7.253 6.104 5 HB2 MET 1 HB2 MET 1 1.294 8.533 8.147 6 HB3 MET 1 HB1 MET 1 0.133 7.511 7.336 7 HG2 MET 1 HG2 MET 1 0.475 5.796 9.109 8 HG3 MET 1 HG1 MET 1 1.561 6.896 9.939 9 HE1 MET 1 HE1 MET 1 -0.850 9.832 10.917 10 HE2 MET 1 HE2 MET 1 0.027 9.728 9.393 11 HE3 MET 1 HE3 MET 1 0.820 9.258 10.895 12 H VAL 2 HN VAL 2 3.122 6.962 9.519 13 HA VAL 2 HA VAL 2 5.748 7.959 8.675 14 HB VAL 2 HB VAL 2 4.205 8.803 11.149 15 HG11 VAL 2 HG11 VAL 2 6.891 9.712 10.129 16 HG12 VAL 2 HG12 VAL 2 6.597 8.634 11.486 17 HG13 VAL 2 HG13 VAL 2 6.064 10.323 11.576 18 HG21 VAL 2 HG21 VAL 2 4.149 11.043 10.134 19 HG22 VAL 2 HG22 VAL 2 3.299 9.848 9.147 20 HG23 VAL 2 HG23 VAL 2 4.911 10.387 8.682 21 H THR 3 HN THR 3 3.756 6.357 11.139 22 HA THR 3 HA THR 3 5.649 5.334 12.778 23 HB THR 3 HB THR 3 3.654 3.581 12.902 24 HG1 THR 3 HG1 THR 3 2.323 4.061 11.296 25 HG21 THR 3 HG21 THR 3 2.462 5.181 14.321 26 HG22 THR 3 HG22 THR 3 3.371 6.504 13.600 27 HG23 THR 3 HG23 THR 3 4.201 5.305 14.592 28 H ALA 4 HN ALA 4 4.166 3.982 9.832 29 HA ALA 4 HA ALA 4 6.618 2.487 9.499 30 HB1 ALA 4 HB1 ALA 4 5.304 0.873 8.137 31 HB2 ALA 4 HB2 ALA 4 3.833 1.754 8.549 32 HB3 ALA 4 HB3 ALA 4 4.747 0.924 9.809 33 H ALA 5 HN ALA 5 7.411 2.531 7.351 34 HA ALA 5 HA ALA 5 7.265 5.087 6.240 35 HB1 ALA 5 HB1 ALA 5 8.430 2.603 5.007 36 HB2 ALA 5 HB2 ALA 5 9.259 3.697 6.113 37 HB3 ALA 5 HB3 ALA 5 8.765 4.259 4.516 38 H LEU 6 HN LEU 6 5.248 2.391 5.595 39 HA LEU 6 HA LEU 6 4.523 3.524 2.985 40 HB2 LEU 6 HB2 LEU 6 5.395 1.133 3.200 41 HB3 LEU 6 HB1 LEU 6 3.857 0.777 3.963 42 HG LEU 6 HG LEU 6 2.711 1.432 1.936 43 HD11 LEU 6 HD11 LEU 6 4.081 1.734 -0.082 44 HD12 LEU 6 HD12 LEU 6 5.523 1.781 0.943 45 HD13 LEU 6 HD13 LEU 6 4.289 3.037 1.085 46 HD21 LEU 6 HD21 LEU 6 4.901 -0.621 1.632 47 HD22 LEU 6 HD22 LEU 6 3.474 -0.496 0.610 48 HD23 LEU 6 HD23 LEU 6 3.296 -0.895 2.314 49 H THR 7 HN THR 7 2.317 3.761 2.442 50 HA THR 7 HA THR 7 0.377 3.543 4.630 51 HB THR 7 HB THR 7 0.575 5.563 2.380 52 HG1 THR 7 HG1 THR 7 0.513 6.954 4.379 53 HG21 THR 7 HG21 THR 7 -1.776 4.998 2.769 54 HG22 THR 7 HG22 THR 7 -1.444 6.623 3.351 55 HG23 THR 7 HG23 THR 7 -1.593 5.290 4.492 56 H ILE 8 HN ILE 8 -1.103 1.992 4.186 57 HA ILE 8 HA ILE 8 -1.733 1.486 1.369 58 HB ILE 8 HB ILE 8 -1.595 -0.534 3.623 59 HG12 ILE 8 HG12 ILE 8 -0.061 -0.287 1.032 60 HG13 ILE 8 HG11 ILE 8 0.578 -0.027 2.650 61 HG21 ILE 8 HG21 ILE 8 -2.549 -0.956 0.788 62 HG22 ILE 8 HG22 ILE 8 -3.535 -0.970 2.249 63 HG23 ILE 8 HG23 ILE 8 -2.314 -2.223 2.003 64 HD11 ILE 8 HD11 ILE 8 1.253 -2.185 1.774 65 HD12 ILE 8 HD12 ILE 8 -0.434 -2.643 1.545 66 HD13 ILE 8 HD13 ILE 8 0.194 -2.393 3.167 67 H TYR 9 HN TYR 9 -3.751 1.639 0.804 68 HA TYR 9 HA TYR 9 -5.793 2.044 2.836 69 HB2 TYR 9 HB2 TYR 9 -5.817 2.381 -0.181 70 HB3 TYR 9 HB1 TYR 9 -7.174 2.751 0.864 71 HD1 TYR 9 HD2 TYR 9 -7.080 4.705 2.363 72 HD2 TYR 9 HD1 TYR 9 -3.931 3.890 -0.369 73 HE1 TYR 9 HE2 TYR 9 -6.244 7.000 2.654 74 HE2 TYR 9 HE1 TYR 9 -3.081 6.176 -0.078 75 HH TYR 9 HH TYR 9 -4.190 8.480 0.639 76 H THR 10 HN THR 10 -7.217 0.385 3.332 77 HA THR 10 HA THR 10 -7.732 -1.680 1.402 78 HB THR 10 HB THR 10 -7.316 -3.439 3.254 79 HG1 THR 10 HG1 THR 10 -6.656 -1.584 4.713 80 HG21 THR 10 HG21 THR 10 -6.067 -3.488 1.180 81 HG22 THR 10 HG22 THR 10 -4.964 -3.777 2.543 82 HG23 THR 10 HG23 THR 10 -5.022 -2.197 1.773 83 H THR 11 HN THR 11 -9.233 -3.390 2.487 84 HA THR 11 HA THR 11 -10.950 -2.220 4.514 85 HB THR 11 HB THR 11 -11.906 -3.787 2.029 86 HG1 THR 11 HG1 THR 11 -11.160 -1.252 2.310 87 HG21 THR 11 HG21 THR 11 -14.099 -3.026 2.724 88 HG22 THR 11 HG22 THR 11 -13.389 -2.154 4.082 89 HG23 THR 11 HG23 THR 11 -13.340 -3.915 4.043 90 H SER 12 HN SER 12 -11.815 -3.961 5.931 91 HA SER 12 HA SER 12 -9.996 -6.149 6.191 92 HB2 SER 12 HB2 SER 12 -11.506 -6.903 8.025 93 HB3 SER 12 HB1 SER 12 -11.091 -5.198 8.183 94 HG SER 12 HG SER 12 -13.099 -4.681 7.247 95 H TRP 13 HN TRP 13 -13.061 -5.650 4.769 96 HA TRP 13 HA TRP 13 -13.286 -8.399 3.723 97 HB2 TRP 13 HB2 TRP 13 -15.523 -7.873 3.782 98 HB3 TRP 13 HB1 TRP 13 -15.148 -6.285 4.414 99 HD1 TRP 13 HD1 TRP 13 -14.975 -7.954 0.996 100 HE1 TRP 13 HE1 TRP 13 -15.745 -6.442 -0.677 101 HE3 TRP 13 HE3 TRP 13 -16.318 -4.141 4.098 102 HZ2 TRP 13 HZ2 TRP 13 -17.029 -3.788 -0.817 103 HZ3 TRP 13 HZ3 TRP 13 -17.368 -2.148 3.104 104 HH2 TRP 13 HH2 TRP 13 -17.716 -1.980 0.692 105 H CYS 14 HN CYS 14 -11.785 -8.925 2.626 106 HA CYS 14 HA CYS 14 -11.565 -7.890 -0.034 107 HB2 CYS 14 HB2 CYS 14 -9.371 -7.491 1.978 108 HB3 CYS 14 HB1 CYS 14 -9.001 -7.843 0.299 109 H GLY 15 HN GLY 15 -10.447 -9.415 -1.338 110 HA2 GLY 15 HA2 GLY 15 -9.390 -11.777 0.072 111 HA3 GLY 15 HA1 GLY 15 -10.009 -11.800 -1.589 112 H TYR 16 HN TYR 16 -8.962 -10.132 -2.972 113 HA TYR 16 HA TYR 16 -6.294 -10.608 -3.374 114 HB2 TYR 16 HB2 TYR 16 -6.333 -8.781 -5.036 115 HB3 TYR 16 HB1 TYR 16 -7.732 -9.824 -5.173 116 HD1 TYR 16 HD2 TYR 16 -9.613 -8.665 -3.188 117 HD2 TYR 16 HD1 TYR 16 -6.953 -6.686 -5.851 118 HE1 TYR 16 HE2 TYR 16 -11.056 -6.717 -3.151 119 HE2 TYR 16 HE1 TYR 16 -8.424 -4.710 -5.824 120 HH TYR 16 HH TYR 16 -11.074 -4.487 -3.568 121 H CYS 17 HN CYS 17 -7.674 -8.070 -1.374 122 HA CYS 17 HA CYS 17 -5.321 -6.538 -1.059 123 HB2 CYS 17 HB2 CYS 17 -7.374 -6.972 1.113 124 HB3 CYS 17 HB1 CYS 17 -6.276 -5.638 0.960 125 H LEU 18 HN LEU 18 -6.659 -9.329 0.681 126 HA LEU 18 HA LEU 18 -4.853 -9.428 2.822 127 HB2 LEU 18 HB2 LEU 18 -6.457 -11.575 1.517 128 HB3 LEU 18 HB1 LEU 18 -5.615 -11.758 3.045 129 HG LEU 18 HG LEU 18 -7.967 -9.960 2.462 130 HD11 LEU 18 HD11 LEU 18 -7.566 -12.295 4.264 131 HD12 LEU 18 HD12 LEU 18 -8.452 -12.306 2.733 132 HD13 LEU 18 HD13 LEU 18 -9.064 -11.366 4.111 133 HD21 LEU 18 HD21 LEU 18 -6.438 -8.811 3.996 134 HD22 LEU 18 HD22 LEU 18 -6.375 -10.249 5.013 135 HD23 LEU 18 HD23 LEU 18 -7.886 -9.358 4.839 136 H ARG 19 HN ARG 19 -4.938 -11.003 -0.297 137 HA ARG 19 HA ARG 19 -2.753 -12.703 0.021 138 HB2 ARG 19 HB2 ARG 19 -3.856 -11.445 -2.492 139 HB3 ARG 19 HB1 ARG 19 -2.695 -12.767 -2.467 140 HG2 ARG 19 HG2 ARG 19 -4.275 -14.212 -1.367 141 HG3 ARG 19 HG1 ARG 19 -5.426 -12.888 -1.206 142 HD2 ARG 19 HD2 ARG 19 -5.631 -12.762 -3.613 143 HD3 ARG 19 HD1 ARG 19 -4.452 -14.064 -3.810 144 HE ARG 19 HE ARG 19 -6.308 -15.155 -2.214 145 HH11 ARG 19 HH11 ARG 19 -6.565 -13.523 -5.355 146 HH12 ARG 19 HH12 ARG 19 -7.939 -14.413 -5.840 147 HH21 ARG 19 HH21 ARG 19 -8.215 -16.362 -2.926 148 HH22 ARG 19 HH22 ARG 19 -8.875 -16.004 -4.455 149 H LEU 20 HN LEU 20 -2.868 -9.363 -1.065 150 HA LEU 20 HA LEU 20 -0.078 -9.290 -1.572 151 HB2 LEU 20 HB2 LEU 20 -1.491 -7.733 -2.776 152 HB3 LEU 20 HB1 LEU 20 -2.133 -7.101 -1.278 153 HG LEU 20 HG LEU 20 0.205 -6.222 -0.809 154 HD11 LEU 20 HD11 LEU 20 1.650 -7.317 -2.374 155 HD12 LEU 20 HD12 LEU 20 1.523 -5.639 -2.840 156 HD13 LEU 20 HD13 LEU 20 0.610 -6.841 -3.719 157 HD21 LEU 20 HD21 LEU 20 -1.622 -4.781 -1.345 158 HD22 LEU 20 HD22 LEU 20 -1.435 -5.121 -3.058 159 HD23 LEU 20 HD23 LEU 20 -0.175 -4.221 -2.188 160 H LYS 21 HN LYS 21 -2.228 -8.180 0.973 161 HA LYS 21 HA LYS 21 -0.450 -6.802 2.585 162 HB2 LYS 21 HB2 LYS 21 -2.853 -6.608 2.789 163 HB3 LYS 21 HB1 LYS 21 -2.988 -8.286 3.269 164 HG2 LYS 21 HG2 LYS 21 -1.931 -7.831 5.366 165 HG3 LYS 21 HG1 LYS 21 -1.546 -6.197 4.854 166 HD2 LYS 21 HD2 LYS 21 -4.375 -7.177 5.001 167 HD3 LYS 21 HD1 LYS 21 -3.577 -6.437 6.408 168 HE2 LYS 21 HE2 LYS 21 -3.171 -4.457 4.901 169 HE3 LYS 21 HE1 LYS 21 -4.180 -5.262 3.701 170 HZ1 LYS 21 HZ1 LYS 21 -6.006 -5.248 5.377 171 HZ2 LYS 21 HZ2 LYS 21 -5.482 -3.697 4.969 172 HZ3 LYS 21 HZ3 LYS 21 -4.982 -4.385 6.412 173 H THR 22 HN THR 22 -1.312 -10.264 2.728 174 HA THR 22 HA THR 22 0.448 -10.703 4.908 175 HB THR 22 HB THR 22 -1.448 -12.262 4.499 176 HG1 THR 22 HG1 THR 22 0.901 -12.870 5.329 177 HG21 THR 22 HG21 THR 22 0.190 -13.207 2.130 178 HG22 THR 22 HG22 THR 22 -1.363 -12.374 2.041 179 HG23 THR 22 HG23 THR 22 -1.269 -13.988 2.744 180 H ALA 23 HN ALA 23 0.844 -10.707 1.438 181 HA ALA 23 HA ALA 23 3.332 -12.041 1.288 182 HB1 ALA 23 HB1 ALA 23 1.941 -11.590 -0.698 183 HB2 ALA 23 HB2 ALA 23 3.563 -10.918 -0.889 184 HB3 ALA 23 HB3 ALA 23 2.213 -9.864 -0.476 185 H LEU 24 HN LEU 24 2.404 -8.679 1.609 186 HA LEU 24 HA LEU 24 4.993 -7.612 1.656 187 HB2 LEU 24 HB2 LEU 24 2.524 -6.527 2.987 188 HB3 LEU 24 HB1 LEU 24 3.949 -5.593 2.587 189 HG LEU 24 HG LEU 24 1.904 -6.759 0.714 190 HD11 LEU 24 HD11 LEU 24 2.800 -3.949 1.220 191 HD12 LEU 24 HD12 LEU 24 1.288 -4.687 1.750 192 HD13 LEU 24 HD13 LEU 24 1.603 -4.451 0.033 193 HD21 LEU 24 HD21 LEU 24 3.191 -5.860 -1.143 194 HD22 LEU 24 HD22 LEU 24 4.106 -7.100 -0.290 195 HD23 LEU 24 HD23 LEU 24 4.478 -5.389 -0.039 196 H THR 25 HN THR 25 2.902 -8.788 4.233 197 HA THR 25 HA THR 25 4.659 -8.053 6.327 198 HB THR 25 HB THR 25 2.549 -10.242 6.340 199 HG1 THR 25 HG1 THR 25 1.569 -8.298 5.762 200 HG21 THR 25 HG21 THR 25 3.729 -8.597 8.590 201 HG22 THR 25 HG22 THR 25 4.095 -10.290 8.273 202 HG23 THR 25 HG23 THR 25 2.467 -9.815 8.760 203 H ALA 26 HN ALA 26 4.403 -10.911 4.270 204 HA ALA 26 HA ALA 26 6.221 -12.559 5.733 205 HB1 ALA 26 HB1 ALA 26 4.521 -13.450 4.181 206 HB2 ALA 26 HB2 ALA 26 6.154 -14.004 3.802 207 HB3 ALA 26 HB3 ALA 26 5.413 -12.719 2.844 208 H ASN 27 HN ASN 27 6.510 -10.395 3.079 209 HA ASN 27 HA ASN 27 9.292 -11.079 2.624 210 HB2 ASN 27 HB2 ASN 27 7.296 -9.337 1.296 211 HB3 ASN 27 HB1 ASN 27 8.972 -9.433 0.697 212 HD21 ASN 27 HD21 ASN 27 6.462 -10.182 -0.604 213 HD22 ASN 27 HD22 ASN 27 6.563 -11.863 -0.984 214 H ARG 28 HN ARG 28 8.176 -9.519 4.955 215 HA ARG 28 HA ARG 28 8.626 -7.809 6.283 216 HB2 ARG 28 HB2 ARG 28 10.797 -8.928 6.409 217 HB3 ARG 28 HB1 ARG 28 11.402 -7.901 5.107 218 HG2 ARG 28 HG2 ARG 28 10.900 -5.919 6.530 219 HG3 ARG 28 HG1 ARG 28 10.491 -7.020 7.837 220 HD2 ARG 28 HD2 ARG 28 12.742 -7.881 7.858 221 HD3 ARG 28 HD1 ARG 28 13.162 -6.887 6.460 222 HE ARG 28 HE ARG 28 12.247 -5.683 8.973 223 HH11 ARG 28 HH11 ARG 28 14.667 -5.922 6.412 224 HH12 ARG 28 HH12 ARG 28 15.605 -4.627 6.966 225 HH21 ARG 28 HH21 ARG 28 13.533 -3.850 9.716 226 HH22 ARG 28 HH22 ARG 28 14.975 -3.464 8.887 227 H ILE 29 HN ILE 29 7.144 -6.721 4.817 228 HA ILE 29 HA ILE 29 8.389 -4.187 4.071 229 HB ILE 29 HB ILE 29 5.911 -5.549 2.986 230 HG12 ILE 29 HG12 ILE 29 8.505 -4.794 1.621 231 HG13 ILE 29 HG11 ILE 29 8.078 -6.408 2.165 232 HG21 ILE 29 HG21 ILE 29 7.023 -2.832 2.261 233 HG22 ILE 29 HG22 ILE 29 5.559 -3.125 3.187 234 HG23 ILE 29 HG23 ILE 29 5.651 -3.634 1.493 235 HD11 ILE 29 HD11 ILE 29 7.757 -6.227 -0.195 236 HD12 ILE 29 HD12 ILE 29 6.726 -4.811 0.013 237 HD13 ILE 29 HD13 ILE 29 6.193 -6.392 0.587 238 H ALA 30 HN ALA 30 7.820 -2.570 5.348 239 HA ALA 30 HA ALA 30 5.818 -3.055 7.397 240 HB1 ALA 30 HB1 ALA 30 8.018 -2.308 8.099 241 HB2 ALA 30 HB2 ALA 30 6.793 -1.087 8.477 242 HB3 ALA 30 HB3 ALA 30 7.853 -0.878 7.079 243 H TYR 31 HN TYR 31 3.947 -1.892 7.552 244 HA TYR 31 HA TYR 31 3.506 0.442 5.907 245 HB2 TYR 31 HB2 TYR 31 1.596 -0.556 4.683 246 HB3 TYR 31 HB1 TYR 31 3.138 -1.302 4.274 247 HD1 TYR 31 HD2 TYR 31 3.643 -3.603 5.017 248 HD2 TYR 31 HD1 TYR 31 -0.159 -1.837 5.778 249 HE1 TYR 31 HE2 TYR 31 2.709 -5.825 5.533 250 HE2 TYR 31 HE1 TYR 31 -1.084 -4.077 6.281 251 HH TYR 31 HH TYR 31 0.926 -6.762 6.744 252 H ASP 32 HN ASP 32 1.691 1.607 6.500 253 HA ASP 32 HA ASP 32 0.178 0.602 8.831 254 HB2 ASP 32 HB2 ASP 32 0.429 3.431 7.755 255 HB3 ASP 32 HB1 ASP 32 -0.559 2.974 9.130 256 H GLU 33 HN GLU 33 -2.041 0.334 8.498 257 HA GLU 33 HA GLU 33 -2.892 0.985 5.786 258 HB2 GLU 33 HB2 GLU 33 -4.667 -0.730 6.010 259 HB3 GLU 33 HB1 GLU 33 -3.074 -1.380 6.275 260 HG2 GLU 33 HG2 GLU 33 -3.372 -1.500 8.616 261 HG3 GLU 33 HG1 GLU 33 -4.876 -0.582 8.525 262 H VAL 34 HN VAL 34 -4.764 2.047 5.415 263 HA VAL 34 HA VAL 34 -5.315 3.999 7.472 264 HB VAL 34 HB VAL 34 -6.370 3.941 4.625 265 HG11 VAL 34 HG11 VAL 34 -6.598 6.336 4.860 266 HG12 VAL 34 HG12 VAL 34 -6.088 6.227 6.548 267 HG13 VAL 34 HG13 VAL 34 -7.597 5.460 6.019 268 HG21 VAL 34 HG21 VAL 34 -4.506 5.419 4.076 269 HG22 VAL 34 HG22 VAL 34 -3.948 3.838 4.625 270 HG23 VAL 34 HG23 VAL 34 -3.877 5.226 5.713 271 H ASP 35 HN ASP 35 -7.423 4.717 8.027 272 HA ASP 35 HA ASP 35 -9.094 2.674 9.070 273 HB2 ASP 35 HB2 ASP 35 -9.800 5.596 8.996 274 HB3 ASP 35 HB1 ASP 35 -10.281 4.382 10.164 275 H ILE 36 HN ILE 36 -9.105 3.766 6.007 276 HA ILE 36 HA ILE 36 -11.410 5.089 5.367 277 HB ILE 36 HB ILE 36 -11.317 4.226 3.087 278 HG12 ILE 36 HG12 ILE 36 -8.882 2.677 3.642 279 HG13 ILE 36 HG11 ILE 36 -10.391 1.920 4.151 280 HG21 ILE 36 HG21 ILE 36 -8.618 4.874 4.251 281 HG22 ILE 36 HG22 ILE 36 -9.868 6.045 3.843 282 HG23 ILE 36 HG23 ILE 36 -9.116 5.088 2.569 283 HD11 ILE 36 HD11 ILE 36 -11.272 2.075 1.908 284 HD12 ILE 36 HD12 ILE 36 -9.728 1.238 1.868 285 HD13 ILE 36 HD13 ILE 36 -9.847 2.927 1.360 286 H GLU 37 HN GLU 37 -11.428 1.661 6.101 287 HA GLU 37 HA GLU 37 -13.888 1.029 4.847 288 HB2 GLU 37 HB2 GLU 37 -12.368 -0.673 5.786 289 HB3 GLU 37 HB1 GLU 37 -12.712 -0.081 7.405 290 HG2 GLU 37 HG2 GLU 37 -15.073 -0.690 7.098 291 HG3 GLU 37 HG1 GLU 37 -14.682 -1.364 5.521 292 H HIS 38 HN HIS 38 -13.035 2.356 7.956 293 HA HIS 38 HA HIS 38 -15.822 2.693 8.713 294 HB2 HIS 38 HB2 HIS 38 -14.264 1.735 10.381 295 HB3 HIS 38 HB1 HIS 38 -13.268 3.175 10.268 296 HD1 HIS 38 HD1 HIS 38 -16.484 1.912 11.764 297 HD2 HIS 38 HD2 HIS 38 -14.213 5.387 11.643 298 HE1 HIS 38 HE1 HIS 38 -17.429 3.422 13.526 299 H ASN 39 HN ASN 39 -12.885 4.521 8.048 300 HA ASN 39 HA ASN 39 -14.271 7.029 8.487 301 HB2 ASN 39 HB2 ASN 39 -11.943 6.909 9.177 302 HB3 ASN 39 HB1 ASN 39 -11.459 6.541 7.520 303 HD21 ASN 39 HD21 ASN 39 -10.313 8.291 7.063 304 HD22 ASN 39 HD22 ASN 39 -10.816 9.914 7.162 305 H ARG 40 HN ARG 40 -15.568 7.698 7.065 306 HA ARG 40 HA ARG 40 -15.360 7.003 4.310 307 HB2 ARG 40 HB2 ARG 40 -17.432 8.295 4.005 308 HB3 ARG 40 HB1 ARG 40 -17.553 7.187 5.355 309 HG2 ARG 40 HG2 ARG 40 -18.580 9.070 6.219 310 HG3 ARG 40 HG1 ARG 40 -16.923 9.294 6.770 311 HD2 ARG 40 HD2 ARG 40 -16.488 10.803 4.904 312 HD3 ARG 40 HD1 ARG 40 -18.136 10.570 4.322 313 HE ARG 40 HE ARG 40 -17.928 11.508 7.031 314 HH11 ARG 40 HH11 ARG 40 -18.233 12.469 3.631 315 HH12 ARG 40 HH12 ARG 40 -18.792 14.041 3.959 316 HH21 ARG 40 HH21 ARG 40 -18.697 13.692 7.489 317 HH22 ARG 40 HH22 ARG 40 -19.022 14.768 6.210 318 H ALA 41 HN ALA 41 -13.982 9.498 6.170 319 HA ALA 41 HA ALA 41 -14.056 11.356 4.047 320 HB1 ALA 41 HB1 ALA 41 -12.436 11.720 6.578 321 HB2 ALA 41 HB2 ALA 41 -14.139 12.080 6.416 322 HB3 ALA 41 HB3 ALA 41 -12.967 12.953 5.432 323 H ALA 42 HN ALA 42 -11.512 9.312 5.298 324 HA ALA 42 HA ALA 42 -9.717 10.259 3.242 325 HB1 ALA 42 HB1 ALA 42 -8.180 8.512 4.034 326 HB2 ALA 42 HB2 ALA 42 -9.452 7.861 5.068 327 HB3 ALA 42 HB3 ALA 42 -8.801 9.468 5.377 328 H ALA 43 HN ALA 43 -12.121 7.855 3.586 329 HA ALA 43 HA ALA 43 -11.325 6.033 1.587 330 HB1 ALA 43 HB1 ALA 43 -13.608 5.220 1.676 331 HB2 ALA 43 HB2 ALA 43 -14.119 6.708 2.478 332 HB3 ALA 43 HB3 ALA 43 -13.043 5.592 3.313 333 H GLU 44 HN GLU 44 -12.847 9.110 1.520 334 HA GLU 44 HA GLU 44 -14.029 9.001 -1.013 335 HB2 GLU 44 HB2 GLU 44 -14.330 10.730 0.887 336 HB3 GLU 44 HB1 GLU 44 -12.912 11.515 0.210 337 HG2 GLU 44 HG2 GLU 44 -14.950 12.535 -0.625 338 HG3 GLU 44 HG1 GLU 44 -14.068 11.742 -1.936 339 H PHE 45 HN PHE 45 -10.751 9.690 0.066 340 HA PHE 45 HA PHE 45 -9.769 10.698 -2.398 341 HB2 PHE 45 HB2 PHE 45 -8.520 11.139 -0.361 342 HB3 PHE 45 HB1 PHE 45 -8.327 9.419 -0.055 343 HD1 PHE 45 HD2 PHE 45 -7.584 11.864 -2.797 344 HD2 PHE 45 HD1 PHE 45 -6.236 8.522 -0.521 345 HE1 PHE 45 HE2 PHE 45 -5.442 11.895 -4.011 346 HE2 PHE 45 HE1 PHE 45 -4.075 8.568 -1.747 347 HZ PHE 45 HZ PHE 45 -3.701 10.246 -3.487 348 H VAL 46 HN VAL 46 -10.101 7.537 -1.019 349 HA VAL 46 HA VAL 46 -8.537 6.109 -2.886 350 HB VAL 46 HB VAL 46 -10.891 5.124 -1.254 351 HG11 VAL 46 HG11 VAL 46 -8.635 3.611 -2.563 352 HG12 VAL 46 HG12 VAL 46 -10.331 3.563 -3.022 353 HG13 VAL 46 HG13 VAL 46 -9.822 2.905 -1.466 354 HG21 VAL 46 HG21 VAL 46 -9.183 4.394 0.356 355 HG22 VAL 46 HG22 VAL 46 -9.224 6.142 0.156 356 HG23 VAL 46 HG23 VAL 46 -7.949 5.197 -0.614 357 H GLY 47 HN GLY 47 -12.008 6.801 -2.699 358 HA2 GLY 47 HA2 GLY 47 -12.668 5.497 -5.137 359 HA3 GLY 47 HA1 GLY 47 -13.667 6.674 -4.292 360 H SER 48 HN SER 48 -11.277 8.521 -4.409 361 HA SER 48 HA SER 48 -12.018 9.835 -6.852 362 HB2 SER 48 HB2 SER 48 -11.708 11.100 -4.754 363 HB3 SER 48 HB1 SER 48 -10.032 10.582 -4.688 364 HG SER 48 HG SER 48 -11.156 12.099 -6.799 365 H VAL 49 HN VAL 49 -9.121 8.247 -5.531 366 HA VAL 49 HA VAL 49 -7.611 8.911 -7.879 367 HB VAL 49 HB VAL 49 -6.543 8.896 -5.645 368 HG11 VAL 49 HG11 VAL 49 -6.813 5.903 -5.717 369 HG12 VAL 49 HG12 VAL 49 -7.612 7.019 -4.613 370 HG13 VAL 49 HG13 VAL 49 -5.861 6.827 -4.554 371 HG21 VAL 49 HG21 VAL 49 -5.286 6.997 -7.626 372 HG22 VAL 49 HG22 VAL 49 -4.442 7.770 -6.285 373 HG23 VAL 49 HG23 VAL 49 -5.117 8.753 -7.584 374 H ASN 50 HN ASN 50 -9.351 6.120 -6.739 375 HA ASN 50 HA ASN 50 -8.334 4.511 -8.970 376 HB2 ASN 50 HB2 ASN 50 -10.012 3.784 -6.563 377 HB3 ASN 50 HB1 ASN 50 -9.674 2.668 -7.883 378 HD21 ASN 50 HD21 ASN 50 -8.940 2.594 -5.011 379 HD22 ASN 50 HD22 ASN 50 -7.249 2.387 -4.978 380 H GLY 51 HN GLY 51 -9.535 3.837 -10.612 381 HA2 GLY 51 HA2 GLY 51 -11.894 5.475 -11.048 382 HA3 GLY 51 HA1 GLY 51 -10.959 4.653 -12.282 383 H GLY 52 HN GLY 52 -13.853 4.761 -11.320 384 HA2 GLY 52 HA2 GLY 52 -15.562 3.326 -11.891 385 HA3 GLY 52 HA1 GLY 52 -14.389 2.021 -12.031 386 H ASN 53 HN ASN 53 -13.722 0.961 -10.163 387 HA ASN 53 HA ASN 53 -15.801 0.860 -8.090 388 HB2 ASN 53 HB2 ASN 53 -13.526 -1.031 -8.778 389 HB3 ASN 53 HB1 ASN 53 -14.562 -1.242 -7.381 390 HD21 ASN 53 HD21 ASN 53 -15.237 -3.262 -8.123 391 HD22 ASN 53 HD22 ASN 53 -16.326 -3.439 -9.437 392 H ARG 54 HN ARG 54 -15.058 0.717 -5.801 393 HA ARG 54 HA ARG 54 -12.731 2.390 -5.440 394 HB2 ARG 54 HB2 ARG 54 -14.755 2.636 -3.915 395 HB3 ARG 54 HB1 ARG 54 -14.347 1.050 -3.257 396 HG2 ARG 54 HG2 ARG 54 -12.091 1.964 -2.704 397 HG3 ARG 54 HG1 ARG 54 -12.722 3.560 -3.120 398 HD2 ARG 54 HD2 ARG 54 -12.890 3.261 -0.751 399 HD3 ARG 54 HD1 ARG 54 -14.506 3.212 -1.459 400 HE ARG 54 HE ARG 54 -13.496 0.601 -1.294 401 HH11 ARG 54 HH11 ARG 54 -14.797 3.156 0.769 402 HH12 ARG 54 HH12 ARG 54 -15.276 2.083 2.012 403 HH21 ARG 54 HH21 ARG 54 -14.117 -0.844 0.379 404 HH22 ARG 54 HH22 ARG 54 -14.884 -0.247 1.789 405 H THR 55 HN THR 55 -11.269 0.992 -6.379 406 HA THR 55 HA THR 55 -10.761 -1.613 -5.639 407 HB THR 55 HB THR 55 -8.679 0.415 -6.462 408 HG1 THR 55 HG1 THR 55 -9.477 0.232 -8.504 409 HG21 THR 55 HG21 THR 55 -9.090 -2.528 -6.954 410 HG22 THR 55 HG22 THR 55 -7.884 -1.793 -5.878 411 HG23 THR 55 HG23 THR 55 -7.792 -1.536 -7.632 412 H VAL 56 HN VAL 56 -9.920 -2.442 -3.819 413 HA VAL 56 HA VAL 56 -8.849 -0.513 -2.451 414 HB VAL 56 HB VAL 56 -8.855 -1.634 -0.153 415 HG11 VAL 56 HG11 VAL 56 -10.910 0.044 -1.520 416 HG12 VAL 56 HG12 VAL 56 -9.401 0.499 -0.701 417 HG13 VAL 56 HG13 VAL 56 -10.741 -0.167 0.247 418 HG21 VAL 56 HG21 VAL 56 -11.174 -2.487 0.095 419 HG22 VAL 56 HG22 VAL 56 -9.954 -3.519 -0.609 420 HG23 VAL 56 HG23 VAL 56 -11.168 -2.742 -1.672 421 HA PRO 57 HA PRO 57 -5.453 -1.948 -0.906 422 HB2 PRO 57 HB2 PRO 57 -3.604 -3.573 -2.184 423 HB3 PRO 57 HB1 PRO 57 -4.833 -4.130 -1.038 424 HG2 PRO 57 HG2 PRO 57 -4.888 -4.142 -4.018 425 HG3 PRO 57 HG1 PRO 57 -5.530 -5.339 -2.880 426 HD2 PRO 57 HD2 PRO 57 -7.013 -3.379 -4.166 427 HD3 PRO 57 HD1 PRO 57 -7.472 -4.287 -2.689 428 H THR 58 HN THR 58 -5.048 0.132 -1.533 429 HA THR 58 HA THR 58 -3.545 0.771 -3.958 430 HB THR 58 HB THR 58 -5.185 2.666 -2.276 431 HG1 THR 58 HG1 THR 58 -6.550 0.915 -2.962 432 HG21 THR 58 HG21 THR 58 -3.661 3.589 -4.038 433 HG22 THR 58 HG22 THR 58 -5.378 3.890 -4.375 434 HG23 THR 58 HG23 THR 58 -4.542 2.605 -5.222 435 H VAL 59 HN VAL 59 -1.512 1.214 -3.438 436 HA VAL 59 HA VAL 59 -0.940 1.933 -0.676 437 HB VAL 59 HB VAL 59 0.127 -0.142 -1.430 438 HG11 VAL 59 HG11 VAL 59 1.889 -0.039 -3.142 439 HG12 VAL 59 HG12 VAL 59 1.220 1.565 -3.580 440 HG13 VAL 59 HG13 VAL 59 0.227 0.128 -3.725 441 HG21 VAL 59 HG21 VAL 59 1.377 1.171 0.196 442 HG22 VAL 59 HG22 VAL 59 2.092 2.108 -1.102 443 HG23 VAL 59 HG23 VAL 59 2.474 0.402 -0.943 444 H LYS 60 HN LYS 60 0.222 3.688 -0.193 445 HA LYS 60 HA LYS 60 0.688 5.623 -2.355 446 HB2 LYS 60 HB2 LYS 60 -1.149 6.071 -0.656 447 HB3 LYS 60 HB1 LYS 60 0.109 6.163 0.562 448 HG2 LYS 60 HG2 LYS 60 1.088 8.051 -0.709 449 HG3 LYS 60 HG1 LYS 60 -0.304 7.977 -1.794 450 HD2 LYS 60 HD2 LYS 60 -1.751 8.181 0.286 451 HD3 LYS 60 HD1 LYS 60 -0.271 8.595 1.147 452 HE2 LYS 60 HE2 LYS 60 0.056 10.385 -0.617 453 HE3 LYS 60 HE1 LYS 60 -1.583 10.041 -1.112 454 HZ1 LYS 60 HZ1 LYS 60 -1.576 11.869 0.449 455 HZ2 LYS 60 HZ2 LYS 60 -0.797 10.935 1.599 456 HZ3 LYS 60 HZ3 LYS 60 -2.359 10.556 1.149 457 H PHE 61 HN PHE 61 2.805 6.001 -2.628 458 HA PHE 61 HA PHE 61 4.651 5.322 -0.450 459 HB2 PHE 61 HB2 PHE 61 5.208 5.797 -3.397 460 HB3 PHE 61 HB1 PHE 61 6.423 5.450 -2.185 461 HD1 PHE 61 HD2 PHE 61 3.685 4.053 -4.174 462 HD2 PHE 61 HD1 PHE 61 6.728 3.229 -1.315 463 HE1 PHE 61 HE2 PHE 61 3.399 1.621 -4.539 464 HE2 PHE 61 HE1 PHE 61 6.409 0.820 -1.697 465 HZ PHE 61 HZ PHE 61 4.746 0.031 -3.297 466 H ALA 62 HN ALA 62 6.330 6.784 0.095 467 HA ALA 62 HA ALA 62 5.651 9.516 0.205 468 HB1 ALA 62 HB1 ALA 62 7.864 9.856 1.172 469 HB2 ALA 62 HB2 ALA 62 8.368 8.258 0.632 470 HB3 ALA 62 HB3 ALA 62 7.113 8.417 1.861 471 H ASP 63 HN ASP 63 6.873 7.710 -2.246 472 HA ASP 63 HA ASP 63 8.534 9.433 -3.751 473 HB2 ASP 63 HB2 ASP 63 8.289 6.998 -4.122 474 HB3 ASP 63 HB1 ASP 63 6.630 7.251 -4.632 475 H GLY 64 HN GLY 64 5.153 9.403 -3.096 476 HA2 GLY 64 HA2 GLY 64 3.739 11.239 -3.472 477 HA3 GLY 64 HA1 GLY 64 4.797 11.760 -4.775 478 H SER 65 HN SER 65 3.930 8.451 -4.730 479 HA SER 65 HA SER 65 1.853 8.941 -6.712 480 HB2 SER 65 HB2 SER 65 4.037 8.536 -7.854 481 HB3 SER 65 HB1 SER 65 4.163 6.995 -7.017 482 HG SER 65 HG SER 65 1.930 7.613 -8.643 483 H THR 66 HN THR 66 0.363 7.179 -6.914 484 HA THR 66 HA THR 66 0.392 5.328 -4.664 485 HB THR 66 HB THR 66 -2.141 5.274 -5.201 486 HG1 THR 66 HG1 THR 66 -2.476 6.403 -6.954 487 HG21 THR 66 HG21 THR 66 -1.263 6.283 -3.153 488 HG22 THR 66 HG22 THR 66 -2.575 7.264 -3.804 489 HG23 THR 66 HG23 THR 66 -0.902 7.768 -4.031 490 H LEU 67 HN LEU 67 0.098 3.206 -5.127 491 HA LEU 67 HA LEU 67 -0.214 2.488 -7.955 492 HB2 LEU 67 HB2 LEU 67 1.650 1.305 -5.905 493 HB3 LEU 67 HB1 LEU 67 1.066 0.320 -7.222 494 HG LEU 67 HG LEU 67 2.111 1.902 -8.833 495 HD11 LEU 67 HD11 LEU 67 3.788 3.499 -8.107 496 HD12 LEU 67 HD12 LEU 67 3.328 3.253 -6.427 497 HD13 LEU 67 HD13 LEU 67 2.174 3.938 -7.566 498 HD21 LEU 67 HD21 LEU 67 3.990 0.667 -6.813 499 HD22 LEU 67 HD22 LEU 67 4.431 1.200 -8.430 500 HD23 LEU 67 HD23 LEU 67 3.280 -0.115 -8.226 501 H THR 68 HN THR 68 -1.898 1.317 -8.412 502 HA THR 68 HA THR 68 -3.464 0.231 -6.222 503 HB THR 68 HB THR 68 -4.231 0.608 -9.129 504 HG1 THR 68 HG1 THR 68 -5.370 2.461 -7.643 505 HG21 THR 68 HG21 THR 68 -5.656 -0.891 -7.817 506 HG22 THR 68 HG22 THR 68 -6.502 0.605 -8.223 507 HG23 THR 68 HG23 THR 68 -5.856 0.367 -6.599 508 H ASN 69 HN ASN 69 -3.208 -1.853 -5.801 509 HA ASN 69 HA ASN 69 -2.417 -3.935 -5.826 510 HB2 ASN 69 HB2 ASN 69 -3.749 -4.064 -8.537 511 HB3 ASN 69 HB1 ASN 69 -2.981 -5.446 -7.793 512 HD21 ASN 69 HD21 ASN 69 -5.753 -3.646 -8.077 513 HD22 ASN 69 HD22 ASN 69 -6.694 -4.468 -6.866 514 HA PRO 70 HA PRO 70 1.405 -3.469 -8.267 515 HB2 PRO 70 HB2 PRO 70 3.096 -2.863 -6.329 516 HB3 PRO 70 HB1 PRO 70 2.037 -1.597 -6.970 517 HG2 PRO 70 HG2 PRO 70 1.660 -3.316 -4.552 518 HG3 PRO 70 HG1 PRO 70 1.576 -1.532 -4.639 519 HD2 PRO 70 HD2 PRO 70 -0.643 -3.098 -4.722 520 HD3 PRO 70 HD1 PRO 70 -0.518 -1.593 -5.648 521 H SER 71 HN SER 71 3.236 -4.981 -8.031 522 HA SER 71 HA SER 71 2.483 -7.398 -6.684 523 HB2 SER 71 HB2 SER 71 4.989 -6.751 -8.238 524 HB3 SER 71 HB1 SER 71 4.286 -8.345 -7.931 525 HG SER 71 HG SER 71 3.839 -7.506 -10.019 526 H ALA 72 HN ALA 72 4.083 -8.474 -5.230 527 HA ALA 72 HA ALA 72 4.744 -6.896 -3.040 528 HB1 ALA 72 HB1 ALA 72 5.863 -8.860 -2.145 529 HB2 ALA 72 HB2 ALA 72 5.891 -9.595 -3.749 530 HB3 ALA 72 HB3 ALA 72 4.353 -9.318 -2.931 531 H ASP 73 HN ASP 73 6.822 -8.103 -5.615 532 HA ASP 73 HA ASP 73 9.285 -7.143 -4.679 533 HB2 ASP 73 HB2 ASP 73 8.307 -7.646 -7.477 534 HB3 ASP 73 HB1 ASP 73 9.914 -7.011 -7.172 535 H GLU 74 HN GLU 74 6.847 -5.625 -6.627 536 HA GLU 74 HA GLU 74 8.183 -3.234 -7.211 537 HB2 GLU 74 HB2 GLU 74 5.245 -3.852 -6.964 538 HB3 GLU 74 HB1 GLU 74 5.861 -2.293 -7.500 539 HG2 GLU 74 HG2 GLU 74 6.362 -4.939 -8.835 540 HG3 GLU 74 HG1 GLU 74 5.233 -3.693 -9.385 541 H VAL 75 HN VAL 75 6.094 -4.132 -4.547 542 HA VAL 75 HA VAL 75 5.999 -1.564 -3.388 543 HB VAL 75 HB VAL 75 5.620 -4.238 -2.008 544 HG11 VAL 75 HG11 VAL 75 4.698 -1.481 -1.219 545 HG12 VAL 75 HG12 VAL 75 5.970 -2.413 -0.435 546 HG13 VAL 75 HG13 VAL 75 4.299 -2.981 -0.382 547 HG21 VAL 75 HG21 VAL 75 3.597 -2.418 -3.293 548 HG22 VAL 75 HG22 VAL 75 3.234 -3.890 -2.392 549 HG23 VAL 75 HG23 VAL 75 4.123 -3.982 -3.910 550 H LYS 76 HN LYS 76 7.980 -4.412 -2.724 551 HA LYS 76 HA LYS 76 9.399 -3.419 -0.519 552 HB2 LYS 76 HB2 LYS 76 9.227 -5.818 -1.351 553 HB3 LYS 76 HB1 LYS 76 10.411 -5.386 -2.556 554 HG2 LYS 76 HG2 LYS 76 12.070 -4.946 -0.859 555 HG3 LYS 76 HG1 LYS 76 10.884 -5.245 0.418 556 HD2 LYS 76 HD2 LYS 76 10.594 -7.547 -0.427 557 HD3 LYS 76 HD1 LYS 76 11.815 -7.232 -1.653 558 HE2 LYS 76 HE2 LYS 76 12.761 -8.476 0.176 559 HE3 LYS 76 HE1 LYS 76 13.481 -6.873 0.102 560 HZ1 LYS 76 HZ1 LYS 76 12.904 -7.686 2.350 561 HZ2 LYS 76 HZ2 LYS 76 11.276 -7.604 1.986 562 HZ3 LYS 76 HZ3 LYS 76 12.227 -6.199 2.014 563 H ALA 77 HN ALA 77 10.143 -3.338 -3.984 564 HA ALA 77 HA ALA 77 12.704 -2.123 -3.647 565 HB1 ALA 77 HB1 ALA 77 10.978 -2.257 -6.117 566 HB2 ALA 77 HB2 ALA 77 12.156 -3.475 -5.623 567 HB3 ALA 77 HB3 ALA 77 12.695 -1.855 -6.067 568 H LYS 78 HN LYS 78 9.463 -0.868 -4.251 569 HA LYS 78 HA LYS 78 10.426 1.805 -4.622 570 HB2 LYS 78 HB2 LYS 78 7.875 0.483 -4.775 571 HB3 LYS 78 HB1 LYS 78 7.737 1.909 -3.762 572 HG2 LYS 78 HG2 LYS 78 7.181 2.512 -6.014 573 HG3 LYS 78 HG1 LYS 78 8.711 3.265 -5.585 574 HD2 LYS 78 HD2 LYS 78 8.885 2.433 -7.822 575 HD3 LYS 78 HD1 LYS 78 9.881 1.406 -6.786 576 HE2 LYS 78 HE2 LYS 78 8.126 -0.292 -6.763 577 HE3 LYS 78 HE1 LYS 78 7.077 0.749 -7.720 578 HZ1 LYS 78 HZ1 LYS 78 8.756 0.622 -9.510 579 HZ2 LYS 78 HZ2 LYS 78 8.079 -0.860 -9.160 580 HZ3 LYS 78 HZ3 LYS 78 9.628 -0.515 -8.626 581 H LEU 79 HN LEU 79 9.422 -0.137 -1.912 582 HA LEU 79 HA LEU 79 9.126 1.873 -0.003 583 HB2 LEU 79 HB2 LEU 79 8.599 -0.676 0.271 584 HB3 LEU 79 HB1 LEU 79 10.302 -0.840 0.526 585 HG LEU 79 HG LEU 79 10.079 0.757 2.460 586 HD11 LEU 79 HD11 LEU 79 7.163 0.189 2.015 587 HD12 LEU 79 HD12 LEU 79 7.925 1.781 2.118 588 HD13 LEU 79 HD13 LEU 79 7.825 0.745 3.532 589 HD21 LEU 79 HD21 LEU 79 8.725 -1.930 2.571 590 HD22 LEU 79 HD22 LEU 79 9.308 -1.024 3.966 591 HD23 LEU 79 HD23 LEU 79 10.446 -1.602 2.748 592 H VAL 80 HN VAL 80 11.924 -0.068 -0.939 593 HA VAL 80 HA VAL 80 13.629 1.055 0.986 594 HB VAL 80 HB VAL 80 15.502 -0.018 -0.176 595 HG11 VAL 80 HG11 VAL 80 14.753 -2.310 -0.020 596 HG12 VAL 80 HG12 VAL 80 13.074 -1.762 -0.008 597 HG13 VAL 80 HG13 VAL 80 14.150 -1.340 1.322 598 HG21 VAL 80 HG21 VAL 80 13.475 -0.559 -2.296 599 HG22 VAL 80 HG22 VAL 80 15.036 -1.391 -2.198 600 HG23 VAL 80 HG23 VAL 80 14.972 0.356 -2.468 601 H LYS 81 HN LYS 81 12.822 2.113 -2.205 602 HA LYS 81 HA LYS 81 15.024 3.955 -2.210 603 HB2 LYS 81 HB2 LYS 81 14.287 4.715 -4.385 604 HB3 LYS 81 HB1 LYS 81 14.235 2.974 -4.339 605 HG2 LYS 81 HG2 LYS 81 12.240 3.442 -5.448 606 HG3 LYS 81 HG1 LYS 81 11.738 3.322 -3.770 607 HD2 LYS 81 HD2 LYS 81 10.692 5.241 -4.894 608 HD3 LYS 81 HD1 LYS 81 11.725 5.737 -3.557 609 HE2 LYS 81 HE2 LYS 81 11.969 7.199 -5.517 610 HE3 LYS 81 HE1 LYS 81 13.481 6.404 -5.114 611 HZ1 LYS 81 HZ1 LYS 81 13.022 4.800 -6.912 612 HZ2 LYS 81 HZ2 LYS 81 13.111 6.376 -7.466 613 HZ3 LYS 81 HZ3 LYS 81 11.610 5.648 -7.299 614 H ILE 82 HN ILE 82 11.754 4.017 -1.146 615 HA ILE 82 HA ILE 82 11.862 6.884 -1.021 616 HB ILE 82 HB ILE 82 9.576 6.889 -0.137 617 HG12 ILE 82 HG12 ILE 82 8.297 4.590 -0.343 618 HG13 ILE 82 HG11 ILE 82 9.886 3.899 -0.055 619 HG21 ILE 82 HG21 ILE 82 9.914 5.165 -2.568 620 HG22 ILE 82 HG22 ILE 82 9.874 6.922 -2.499 621 HG23 ILE 82 HG23 ILE 82 8.426 5.993 -2.105 622 HD11 ILE 82 HD11 ILE 82 9.992 5.064 2.093 623 HD12 ILE 82 HD12 ILE 82 8.574 4.017 1.982 624 HD13 ILE 82 HD13 ILE 82 8.401 5.760 1.777 625 H ALA 83 HN ALA 83 12.261 4.220 1.132 626 HA ALA 83 HA ALA 83 12.437 5.872 3.472 627 HB1 ALA 83 HB1 ALA 83 13.244 3.810 4.568 628 HB2 ALA 83 HB2 ALA 83 13.334 3.022 2.993 629 HB3 ALA 83 HB3 ALA 83 11.772 3.518 3.641 630 H GLY 84 HN GLY 84 14.877 3.882 1.747 631 HA2 GLY 84 HA2 GLY 84 16.801 5.118 0.882 632 HA3 GLY 84 HA1 GLY 84 16.801 5.983 2.412 633 H LEU 85 HN LEU 85 18.011 5.258 3.974 634 HA LEU 85 HA LEU 85 19.870 3.184 3.474 635 HB2 LEU 85 HB2 LEU 85 20.335 5.268 4.770 636 HB3 LEU 85 HB1 LEU 85 19.303 4.686 6.047 637 HG LEU 85 HG LEU 85 21.777 4.551 6.487 638 HD11 LEU 85 HD11 LEU 85 21.769 2.334 7.497 639 HD12 LEU 85 HD12 LEU 85 20.292 1.948 6.609 640 HD13 LEU 85 HD13 LEU 85 20.283 3.227 7.819 641 HD21 LEU 85 HD21 LEU 85 21.685 2.350 4.429 642 HD22 LEU 85 HD22 LEU 85 23.052 2.725 5.478 643 HD23 LEU 85 HD23 LEU 85 22.521 3.896 4.268 644 H GLU 86 HN GLU 86 17.081 3.449 5.625 645 HA GLU 86 HA GLU 86 17.420 0.786 6.593 646 HB2 GLU 86 HB2 GLU 86 15.236 2.808 6.957 647 HB3 GLU 86 HB1 GLU 86 15.123 1.174 7.601 648 HG2 GLU 86 HG2 GLU 86 17.335 3.104 8.226 649 HG3 GLU 86 HG1 GLU 86 15.913 2.841 9.237 650 H HIS 87 HN HIS 87 17.337 -0.668 5.134 651 HA HIS 87 HA HIS 87 15.092 -0.746 3.315 652 HB2 HIS 87 HB2 HIS 87 16.402 -2.594 2.183 653 HB3 HIS 87 HB1 HIS 87 17.169 -1.017 2.145 654 HD1 HIS 87 HD1 HIS 87 19.430 -0.791 3.354 655 HD2 HIS 87 HD2 HIS 87 17.712 -4.553 3.727 656 HE1 HIS 87 HE1 HIS 87 21.216 -2.278 4.351 657 H HIS 88 HN HIS 88 13.515 -2.096 3.553 658 HA HIS 88 HA HIS 88 13.647 -3.956 5.759 659 HB2 HIS 88 HB2 HIS 88 11.297 -2.929 4.146 660 HB3 HIS 88 HB1 HIS 88 11.158 -4.138 5.409 661 HD1 HIS 88 HD1 HIS 88 11.160 -3.274 7.878 662 HD2 HIS 88 HD2 HIS 88 11.807 -0.302 5.031 663 HE1 HIS 88 HE1 HIS 88 10.961 -1.085 9.087 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 8.878 3.934 15.224 2 H2 MET 1 HT2 MET 1 7.767 2.693 14.907 3 H3 MET 1 HT3 MET 1 7.322 3.991 15.877 4 HA MET 1 HA MET 1 7.500 5.487 14.008 5 HB2 MET 1 HB2 MET 1 7.991 2.931 12.467 6 HB3 MET 1 HB1 MET 1 7.698 4.500 11.749 7 HG2 MET 1 HG2 MET 1 9.787 5.333 12.681 8 HG3 MET 1 HG1 MET 1 10.068 3.777 13.459 9 HE1 MET 1 HE1 MET 1 9.058 1.728 11.194 10 HE2 MET 1 HE2 MET 1 10.534 1.524 12.138 11 HE3 MET 1 HE3 MET 1 10.589 1.405 10.381 12 H VAL 2 HN VAL 2 5.381 5.965 14.156 13 HA VAL 2 HA VAL 2 3.450 3.859 13.536 14 HB VAL 2 HB VAL 2 3.157 5.353 15.586 15 HG11 VAL 2 HG11 VAL 2 3.839 7.462 14.743 16 HG12 VAL 2 HG12 VAL 2 2.150 7.579 15.245 17 HG13 VAL 2 HG13 VAL 2 2.558 7.450 13.534 18 HG21 VAL 2 HG21 VAL 2 0.732 5.641 15.328 19 HG22 VAL 2 HG22 VAL 2 1.275 4.076 14.719 20 HG23 VAL 2 HG23 VAL 2 0.900 5.381 13.593 21 H THR 3 HN THR 3 5.200 6.340 12.159 22 HA THR 3 HA THR 3 3.416 7.317 10.242 23 HB THR 3 HB THR 3 5.689 7.928 9.152 24 HG1 THR 3 HG1 THR 3 7.258 7.911 11.123 25 HG21 THR 3 HG21 THR 3 5.993 9.770 10.770 26 HG22 THR 3 HG22 THR 3 4.951 8.924 11.917 27 HG23 THR 3 HG23 THR 3 4.289 9.518 10.396 28 H ALA 4 HN ALA 4 2.763 6.381 8.489 29 HA ALA 4 HA ALA 4 3.654 3.752 7.807 30 HB1 ALA 4 HB1 ALA 4 1.294 4.368 7.833 31 HB2 ALA 4 HB2 ALA 4 1.814 3.767 6.254 32 HB3 ALA 4 HB3 ALA 4 1.582 5.497 6.509 33 H ALA 5 HN ALA 5 5.358 3.480 6.577 34 HA ALA 5 HA ALA 5 6.235 5.354 4.598 35 HB1 ALA 5 HB1 ALA 5 7.809 3.555 3.940 36 HB2 ALA 5 HB2 ALA 5 6.960 2.431 4.990 37 HB3 ALA 5 HB3 ALA 5 7.827 3.801 5.686 38 H LEU 6 HN LEU 6 4.284 2.504 4.786 39 HA LEU 6 HA LEU 6 3.401 2.895 2.004 40 HB2 LEU 6 HB2 LEU 6 3.164 0.362 3.627 41 HB3 LEU 6 HB1 LEU 6 2.745 0.611 1.946 42 HG LEU 6 HG LEU 6 5.521 0.556 3.079 43 HD11 LEU 6 HD11 LEU 6 3.990 -1.326 1.302 44 HD12 LEU 6 HD12 LEU 6 4.463 -1.616 2.979 45 HD13 LEU 6 HD13 LEU 6 5.695 -1.467 1.725 46 HD21 LEU 6 HD21 LEU 6 6.195 0.660 0.759 47 HD22 LEU 6 HD22 LEU 6 5.333 2.117 1.290 48 HD23 LEU 6 HD23 LEU 6 4.505 0.911 0.290 49 H THR 7 HN THR 7 1.459 3.803 2.023 50 HA THR 7 HA THR 7 -0.260 3.327 4.344 51 HB THR 7 HB THR 7 -0.679 5.296 2.082 52 HG1 THR 7 HG1 THR 7 1.364 5.583 3.314 53 HG21 THR 7 HG21 THR 7 -1.690 5.213 4.928 54 HG22 THR 7 HG22 THR 7 -2.628 4.826 3.486 55 HG23 THR 7 HG23 THR 7 -2.052 6.472 3.747 56 H ILE 8 HN ILE 8 -1.518 1.544 3.972 57 HA ILE 8 HA ILE 8 -2.375 1.059 1.224 58 HB ILE 8 HB ILE 8 -2.019 -0.931 3.494 59 HG12 ILE 8 HG12 ILE 8 -0.524 -0.564 0.886 60 HG13 ILE 8 HG11 ILE 8 0.089 -0.200 2.492 61 HG21 ILE 8 HG21 ILE 8 -2.621 -2.687 1.872 62 HG22 ILE 8 HG22 ILE 8 -2.958 -1.465 0.653 63 HG23 ILE 8 HG23 ILE 8 -3.936 -1.541 2.119 64 HD11 ILE 8 HD11 ILE 8 -0.625 -2.924 1.431 65 HD12 ILE 8 HD12 ILE 8 -0.025 -2.582 3.055 66 HD13 ILE 8 HD13 ILE 8 1.000 -2.277 1.653 67 H TYR 9 HN TYR 9 -4.398 0.919 0.782 68 HA TYR 9 HA TYR 9 -6.333 1.685 2.798 69 HB2 TYR 9 HB2 TYR 9 -6.495 1.409 -0.207 70 HB3 TYR 9 HB1 TYR 9 -7.789 2.057 0.778 71 HD1 TYR 9 HD2 TYR 9 -7.430 4.254 1.971 72 HD2 TYR 9 HD1 TYR 9 -4.623 2.733 -0.839 73 HE1 TYR 9 HE2 TYR 9 -6.387 6.477 1.801 74 HE2 TYR 9 HE1 TYR 9 -3.577 4.937 -1.008 75 HH TYR 9 HH TYR 9 -4.273 7.441 1.185 76 H THR 10 HN THR 10 -7.510 0.087 3.848 77 HA THR 10 HA THR 10 -8.279 -2.267 2.329 78 HB THR 10 HB THR 10 -7.858 -3.645 4.407 79 HG1 THR 10 HG1 THR 10 -7.438 -2.268 5.996 80 HG21 THR 10 HG21 THR 10 -6.404 -3.864 2.452 81 HG22 THR 10 HG22 THR 10 -5.465 -4.013 3.940 82 HG23 THR 10 HG23 THR 10 -5.432 -2.507 3.020 83 H THR 11 HN THR 11 -10.023 -3.502 3.429 84 HA THR 11 HA THR 11 -11.644 -2.229 5.452 85 HB THR 11 HB THR 11 -13.656 -2.494 3.889 86 HG1 THR 11 HG1 THR 11 -12.017 -2.007 1.725 87 HG21 THR 11 HG21 THR 11 -11.682 -0.310 3.204 88 HG22 THR 11 HG22 THR 11 -12.902 -0.238 4.477 89 HG23 THR 11 HG23 THR 11 -13.390 -0.307 2.788 90 H SER 12 HN SER 12 -13.773 -3.784 5.511 91 HA SER 12 HA SER 12 -12.928 -6.507 5.578 92 HB2 SER 12 HB2 SER 12 -14.698 -5.550 7.093 93 HB3 SER 12 HB1 SER 12 -15.748 -5.403 5.691 94 HG SER 12 HG SER 12 -15.669 -7.640 5.444 95 H TRP 13 HN TRP 13 -13.904 -4.494 3.062 96 HA TRP 13 HA TRP 13 -15.282 -6.459 1.424 97 HB2 TRP 13 HB2 TRP 13 -14.121 -3.804 0.498 98 HB3 TRP 13 HB1 TRP 13 -15.490 -4.674 -0.180 99 HD1 TRP 13 HD1 TRP 13 -17.190 -5.020 2.507 100 HE1 TRP 13 HE1 TRP 13 -18.291 -2.967 3.592 101 HE3 TRP 13 HE3 TRP 13 -14.369 -1.333 0.361 102 HZ2 TRP 13 HZ2 TRP 13 -18.025 -0.166 3.547 103 HZ3 TRP 13 HZ3 TRP 13 -14.867 1.008 0.931 104 HH2 TRP 13 HH2 TRP 13 -16.656 1.578 2.488 105 H CYS 14 HN CYS 14 -12.928 -7.521 2.194 106 HA CYS 14 HA CYS 14 -10.959 -6.995 0.096 107 HB2 CYS 14 HB2 CYS 14 -10.387 -5.666 1.988 108 HB3 CYS 14 HB1 CYS 14 -10.538 -7.055 3.061 109 H GLY 15 HN GLY 15 -10.413 -8.830 -0.836 110 HA2 GLY 15 HA2 GLY 15 -9.944 -11.183 0.872 111 HA3 GLY 15 HA1 GLY 15 -10.600 -11.331 -0.757 112 H TYR 16 HN TYR 16 -9.276 -10.285 -2.465 113 HA TYR 16 HA TYR 16 -6.733 -11.432 -2.573 114 HB2 TYR 16 HB2 TYR 16 -6.457 -10.194 -4.742 115 HB3 TYR 16 HB1 TYR 16 -7.938 -11.126 -4.623 116 HD1 TYR 16 HD2 TYR 16 -10.086 -9.862 -4.074 117 HD2 TYR 16 HD1 TYR 16 -6.520 -7.883 -5.260 118 HE1 TYR 16 HE2 TYR 16 -11.394 -7.879 -4.648 119 HE2 TYR 16 HE1 TYR 16 -7.834 -5.896 -5.863 120 HH TYR 16 HH TYR 16 -11.076 -5.562 -4.853 121 H CYS 17 HN CYS 17 -7.570 -8.408 -1.220 122 HA CYS 17 HA CYS 17 -5.111 -7.076 -1.575 123 HB2 CYS 17 HB2 CYS 17 -6.231 -6.219 0.831 124 HB3 CYS 17 HB1 CYS 17 -6.426 -5.420 -0.707 125 H LEU 18 HN LEU 18 -6.432 -9.369 0.774 126 HA LEU 18 HA LEU 18 -4.570 -9.033 2.845 127 HB2 LEU 18 HB2 LEU 18 -6.238 -11.409 2.109 128 HB3 LEU 18 HB1 LEU 18 -5.358 -11.224 3.612 129 HG LEU 18 HG LEU 18 -7.681 -9.536 2.690 130 HD11 LEU 18 HD11 LEU 18 -8.798 -10.552 4.584 131 HD12 LEU 18 HD12 LEU 18 -7.324 -11.491 4.892 132 HD13 LEU 18 HD13 LEU 18 -8.249 -11.769 3.412 133 HD21 LEU 18 HD21 LEU 18 -6.054 -9.403 5.225 134 HD22 LEU 18 HD22 LEU 18 -7.545 -8.517 4.911 135 HD23 LEU 18 HD23 LEU 18 -6.107 -8.175 3.958 136 H ARG 19 HN ARG 19 -4.748 -11.051 0.034 137 HA ARG 19 HA ARG 19 -2.682 -12.860 0.333 138 HB2 ARG 19 HB2 ARG 19 -4.231 -12.828 -1.555 139 HB3 ARG 19 HB1 ARG 19 -3.520 -11.331 -2.132 140 HG2 ARG 19 HG2 ARG 19 -1.362 -12.584 -2.403 141 HG3 ARG 19 HG1 ARG 19 -2.267 -14.064 -2.075 142 HD2 ARG 19 HD2 ARG 19 -2.101 -13.730 -4.476 143 HD3 ARG 19 HD1 ARG 19 -3.775 -13.523 -3.942 144 HE ARG 19 HE ARG 19 -2.098 -11.157 -4.202 145 HH11 ARG 19 HH11 ARG 19 -4.756 -13.096 -5.533 146 HH12 ARG 19 HH12 ARG 19 -5.379 -11.873 -6.525 147 HH21 ARG 19 HH21 ARG 19 -2.920 -9.433 -5.608 148 HH22 ARG 19 HH22 ARG 19 -4.295 -9.700 -6.557 149 H LEU 20 HN LEU 20 -2.569 -9.569 -0.953 150 HA LEU 20 HA LEU 20 0.202 -9.635 -1.418 151 HB2 LEU 20 HB2 LEU 20 -1.174 -8.226 -2.785 152 HB3 LEU 20 HB1 LEU 20 -1.789 -7.381 -1.384 153 HG LEU 20 HG LEU 20 0.650 -6.595 -1.054 154 HD11 LEU 20 HD11 LEU 20 0.827 -7.478 -3.922 155 HD12 LEU 20 HD12 LEU 20 1.958 -7.849 -2.594 156 HD13 LEU 20 HD13 LEU 20 1.822 -6.233 -3.221 157 HD21 LEU 20 HD21 LEU 20 -1.047 -5.582 -3.308 158 HD22 LEU 20 HD22 LEU 20 0.275 -4.687 -2.544 159 HD23 LEU 20 HD23 LEU 20 -1.162 -5.117 -1.610 160 H LYS 21 HN LYS 21 -1.841 -8.169 1.109 161 HA LYS 21 HA LYS 21 0.413 -6.841 2.186 162 HB2 LYS 21 HB2 LYS 21 -0.984 -5.759 3.699 163 HB3 LYS 21 HB1 LYS 21 -2.053 -6.121 2.364 164 HG2 LYS 21 HG2 LYS 21 -2.929 -8.039 3.658 165 HG3 LYS 21 HG1 LYS 21 -1.933 -7.513 5.022 166 HD2 LYS 21 HD2 LYS 21 -3.040 -5.210 4.707 167 HD3 LYS 21 HD1 LYS 21 -4.213 -6.050 3.704 168 HE2 LYS 21 HE2 LYS 21 -5.190 -5.948 5.838 169 HE3 LYS 21 HE1 LYS 21 -4.583 -7.594 5.673 170 HZ1 LYS 21 HZ1 LYS 21 -3.981 -6.888 7.803 171 HZ2 LYS 21 HZ2 LYS 21 -3.533 -5.385 7.325 172 HZ3 LYS 21 HZ3 LYS 21 -2.519 -6.699 6.963 173 H THR 22 HN THR 22 -0.924 -9.985 2.799 174 HA THR 22 HA THR 22 0.615 -10.339 5.179 175 HB THR 22 HB THR 22 0.160 -12.816 4.794 176 HG1 THR 22 HG1 THR 22 -1.675 -11.941 2.842 177 HG21 THR 22 HG21 THR 22 -2.216 -10.947 4.822 178 HG22 THR 22 HG22 THR 22 -1.281 -11.455 6.231 179 HG23 THR 22 HG23 THR 22 -2.234 -12.632 5.332 180 H ALA 23 HN ALA 23 1.193 -10.712 1.770 181 HA ALA 23 HA ALA 23 3.693 -12.120 1.907 182 HB1 ALA 23 HB1 ALA 23 2.391 -11.864 -0.195 183 HB2 ALA 23 HB2 ALA 23 4.043 -11.252 -0.351 184 HB3 ALA 23 HB3 ALA 23 2.694 -10.128 -0.131 185 H LEU 24 HN LEU 24 2.795 -8.756 1.911 186 HA LEU 24 HA LEU 24 5.396 -7.724 2.093 187 HB2 LEU 24 HB2 LEU 24 2.823 -6.590 3.170 188 HB3 LEU 24 HB1 LEU 24 4.301 -5.669 2.956 189 HG LEU 24 HG LEU 24 2.545 -6.853 0.802 190 HD11 LEU 24 HD11 LEU 24 1.661 -4.831 1.777 191 HD12 LEU 24 HD12 LEU 24 2.227 -4.532 0.133 192 HD13 LEU 24 HD13 LEU 24 3.196 -4.007 1.508 193 HD21 LEU 24 HD21 LEU 24 4.069 -5.796 -0.806 194 HD22 LEU 24 HD22 LEU 24 4.867 -7.065 0.121 195 HD23 LEU 24 HD23 LEU 24 5.154 -5.369 0.516 196 H THR 25 HN THR 25 3.036 -8.525 4.605 197 HA THR 25 HA THR 25 4.517 -7.828 6.857 198 HB THR 25 HB THR 25 2.570 -10.157 6.653 199 HG1 THR 25 HG1 THR 25 1.564 -8.237 5.908 200 HG21 THR 25 HG21 THR 25 3.333 -8.397 8.989 201 HG22 THR 25 HG22 THR 25 3.860 -10.060 8.738 202 HG23 THR 25 HG23 THR 25 2.154 -9.713 9.022 203 H ALA 26 HN ALA 26 4.365 -10.964 5.153 204 HA ALA 26 HA ALA 26 6.104 -12.409 6.825 205 HB1 ALA 26 HB1 ALA 26 6.206 -14.029 5.020 206 HB2 ALA 26 HB2 ALA 26 5.551 -12.839 3.895 207 HB3 ALA 26 HB3 ALA 26 4.553 -13.440 5.216 208 H ASN 27 HN ASN 27 6.722 -10.149 4.334 209 HA ASN 27 HA ASN 27 9.510 -10.949 4.131 210 HB2 ASN 27 HB2 ASN 27 7.663 -9.344 2.504 211 HB3 ASN 27 HB1 ASN 27 9.397 -8.941 2.364 212 HD21 ASN 27 HD21 ASN 27 6.838 -11.057 1.621 213 HD22 ASN 27 HD22 ASN 27 7.718 -12.175 0.644 214 H ARG 28 HN ARG 28 7.902 -9.257 6.272 215 HA ARG 28 HA ARG 28 8.380 -7.728 7.814 216 HB2 ARG 28 HB2 ARG 28 11.166 -8.107 6.754 217 HB3 ARG 28 HB1 ARG 28 10.828 -6.922 8.005 218 HG2 ARG 28 HG2 ARG 28 10.277 -9.881 8.197 219 HG3 ARG 28 HG1 ARG 28 11.629 -9.024 8.949 220 HD2 ARG 28 HD2 ARG 28 8.684 -8.637 9.538 221 HD3 ARG 28 HD1 ARG 28 9.898 -9.354 10.582 222 HE ARG 28 HE ARG 28 11.016 -7.127 10.532 223 HH11 ARG 28 HH11 ARG 28 7.480 -7.327 10.091 224 HH12 ARG 28 HH12 ARG 28 7.223 -5.744 10.671 225 HH21 ARG 28 HH21 ARG 28 10.585 -5.010 11.331 226 HH22 ARG 28 HH22 ARG 28 8.987 -4.426 11.425 227 H ILE 29 HN ILE 29 7.557 -6.974 5.147 228 HA ILE 29 HA ILE 29 8.599 -4.304 4.888 229 HB ILE 29 HB ILE 29 6.398 -5.782 3.408 230 HG12 ILE 29 HG12 ILE 29 9.191 -4.983 2.550 231 HG13 ILE 29 HG11 ILE 29 8.679 -6.610 2.974 232 HG21 ILE 29 HG21 ILE 29 6.456 -3.880 1.816 233 HG22 ILE 29 HG22 ILE 29 7.519 -3.025 2.950 234 HG23 ILE 29 HG23 ILE 29 5.883 -3.436 3.423 235 HD11 ILE 29 HD11 ILE 29 8.843 -6.332 0.576 236 HD12 ILE 29 HD12 ILE 29 7.704 -4.988 0.631 237 HD13 ILE 29 HD13 ILE 29 7.167 -6.618 1.043 238 H ALA 30 HN ALA 30 7.824 -2.667 5.993 239 HA ALA 30 HA ALA 30 5.580 -3.126 7.731 240 HB1 ALA 30 HB1 ALA 30 6.263 -1.049 8.806 241 HB2 ALA 30 HB2 ALA 30 7.443 -0.778 7.521 242 HB3 ALA 30 HB3 ALA 30 7.633 -2.148 8.614 243 H TYR 31 HN TYR 31 3.603 -2.357 7.418 244 HA TYR 31 HA TYR 31 3.207 -0.061 5.667 245 HB2 TYR 31 HB2 TYR 31 1.375 -1.152 4.466 246 HB3 TYR 31 HB1 TYR 31 2.859 -2.061 4.234 247 HD1 TYR 31 HD2 TYR 31 -0.469 -2.064 5.788 248 HD2 TYR 31 HD1 TYR 31 3.098 -4.293 5.155 249 HE1 TYR 31 HE2 TYR 31 -1.618 -4.091 6.544 250 HE2 TYR 31 HE1 TYR 31 1.962 -6.320 5.896 251 HH TYR 31 HH TYR 31 0.086 -6.992 7.210 252 H ASP 32 HN ASP 32 0.884 0.705 5.883 253 HA ASP 32 HA ASP 32 -0.316 -0.147 8.392 254 HB2 ASP 32 HB2 ASP 32 0.937 1.902 8.905 255 HB3 ASP 32 HB1 ASP 32 0.130 2.721 7.568 256 H GLU 33 HN GLU 33 -2.516 -0.003 8.418 257 HA GLU 33 HA GLU 33 -3.688 0.296 5.764 258 HB2 GLU 33 HB2 GLU 33 -5.422 -1.314 6.579 259 HB3 GLU 33 HB1 GLU 33 -3.805 -1.958 6.479 260 HG2 GLU 33 HG2 GLU 33 -3.547 -1.597 8.925 261 HG3 GLU 33 HG1 GLU 33 -5.246 -1.138 8.985 262 H VAL 34 HN VAL 34 -5.326 1.595 5.425 263 HA VAL 34 HA VAL 34 -5.705 3.710 7.346 264 HB VAL 34 HB VAL 34 -7.018 3.524 4.628 265 HG11 VAL 34 HG11 VAL 34 -6.377 5.921 6.334 266 HG12 VAL 34 HG12 VAL 34 -7.968 5.209 6.070 267 HG13 VAL 34 HG13 VAL 34 -7.106 5.952 4.723 268 HG21 VAL 34 HG21 VAL 34 -4.619 3.252 4.377 269 HG22 VAL 34 HG22 VAL 34 -4.340 4.698 5.351 270 HG23 VAL 34 HG23 VAL 34 -5.132 4.830 3.782 271 H ASP 35 HN ASP 35 -7.443 4.448 8.293 272 HA ASP 35 HA ASP 35 -9.428 2.876 9.452 273 HB2 ASP 35 HB2 ASP 35 -9.464 5.875 9.164 274 HB3 ASP 35 HB1 ASP 35 -10.353 4.926 10.335 275 H ILE 36 HN ILE 36 -9.584 3.668 6.293 276 HA ILE 36 HA ILE 36 -11.729 5.297 5.733 277 HB ILE 36 HB ILE 36 -11.995 4.194 3.564 278 HG12 ILE 36 HG12 ILE 36 -9.826 2.316 4.481 279 HG13 ILE 36 HG11 ILE 36 -11.532 1.876 4.438 280 HG21 ILE 36 HG21 ILE 36 -9.733 4.674 2.774 281 HG22 ILE 36 HG22 ILE 36 -9.172 4.691 4.452 282 HG23 ILE 36 HG23 ILE 36 -10.338 5.894 3.894 283 HD11 ILE 36 HD11 ILE 36 -10.248 1.119 2.472 284 HD12 ILE 36 HD12 ILE 36 -10.003 2.846 2.064 285 HD13 ILE 36 HD13 ILE 36 -11.621 2.161 2.105 286 H GLU 37 HN GLU 37 -12.149 1.979 6.845 287 HA GLU 37 HA GLU 37 -14.760 1.726 5.771 288 HB2 GLU 37 HB2 GLU 37 -13.175 -0.149 6.737 289 HB3 GLU 37 HB1 GLU 37 -13.855 0.337 8.265 290 HG2 GLU 37 HG2 GLU 37 -16.088 -0.148 7.508 291 HG3 GLU 37 HG1 GLU 37 -15.471 -0.615 5.926 292 H HIS 38 HN HIS 38 -13.379 3.237 8.505 293 HA HIS 38 HA HIS 38 -15.965 3.675 9.790 294 HB2 HIS 38 HB2 HIS 38 -13.156 4.266 10.753 295 HB3 HIS 38 HB1 HIS 38 -14.618 4.639 11.656 296 HD1 HIS 38 HD1 HIS 38 -15.535 2.778 13.128 297 HD2 HIS 38 HD2 HIS 38 -12.714 1.438 10.385 298 HE1 HIS 38 HE1 HIS 38 -15.090 0.378 13.695 299 H ASN 39 HN ASN 39 -13.342 5.366 8.186 300 HA ASN 39 HA ASN 39 -15.059 7.709 8.317 301 HB2 ASN 39 HB2 ASN 39 -13.117 9.222 8.056 302 HB3 ASN 39 HB1 ASN 39 -13.071 8.316 9.558 303 HD21 ASN 39 HD21 ASN 39 -11.925 7.404 6.250 304 HD22 ASN 39 HD22 ASN 39 -10.277 7.353 6.773 305 H ARG 40 HN ARG 40 -15.908 8.474 6.688 306 HA ARG 40 HA ARG 40 -15.494 7.127 4.193 307 HB2 ARG 40 HB2 ARG 40 -17.413 8.424 3.276 308 HB3 ARG 40 HB1 ARG 40 -17.798 7.487 4.701 309 HG2 ARG 40 HG2 ARG 40 -17.142 10.400 4.934 310 HG3 ARG 40 HG1 ARG 40 -18.756 9.881 4.439 311 HD2 ARG 40 HD2 ARG 40 -18.949 8.564 6.495 312 HD3 ARG 40 HD1 ARG 40 -17.352 9.088 7.008 313 HE ARG 40 HE ARG 40 -18.920 11.319 6.490 314 HH11 ARG 40 HH11 ARG 40 -18.683 8.660 8.858 315 HH12 ARG 40 HH12 ARG 40 -19.370 9.557 10.113 316 HH21 ARG 40 HH21 ARG 40 -19.892 12.525 8.241 317 HH22 ARG 40 HH22 ARG 40 -20.087 11.797 9.763 318 H ALA 41 HN ALA 41 -14.374 10.029 5.497 319 HA ALA 41 HA ALA 41 -14.114 11.514 3.159 320 HB1 ALA 41 HB1 ALA 41 -12.453 12.857 4.321 321 HB2 ALA 41 HB2 ALA 41 -12.285 11.579 5.529 322 HB3 ALA 41 HB3 ALA 41 -13.804 12.464 5.393 323 H ALA 42 HN ALA 42 -11.673 9.474 4.696 324 HA ALA 42 HA ALA 42 -9.951 9.630 2.444 325 HB1 ALA 42 HB1 ALA 42 -9.976 7.650 4.717 326 HB2 ALA 42 HB2 ALA 42 -9.046 9.145 4.652 327 HB3 ALA 42 HB3 ALA 42 -8.676 7.826 3.543 328 H ALA 43 HN ALA 43 -12.718 7.728 3.148 329 HA ALA 43 HA ALA 43 -12.119 5.486 1.505 330 HB1 ALA 43 HB1 ALA 43 -13.860 5.418 3.273 331 HB2 ALA 43 HB2 ALA 43 -14.472 4.906 1.701 332 HB3 ALA 43 HB3 ALA 43 -14.837 6.520 2.302 333 H GLU 44 HN GLU 44 -13.666 8.580 0.936 334 HA GLU 44 HA GLU 44 -14.427 7.974 -1.742 335 HB2 GLU 44 HB2 GLU 44 -14.083 10.642 -0.362 336 HB3 GLU 44 HB1 GLU 44 -14.811 10.419 -1.945 337 HG2 GLU 44 HG2 GLU 44 -15.859 9.344 0.667 338 HG3 GLU 44 HG1 GLU 44 -16.523 10.684 -0.264 339 H PHE 45 HN PHE 45 -11.597 9.194 -0.201 340 HA PHE 45 HA PHE 45 -10.255 10.257 -2.451 341 HB2 PHE 45 HB2 PHE 45 -9.602 10.732 -0.107 342 HB3 PHE 45 HB1 PHE 45 -9.101 9.061 0.089 343 HD1 PHE 45 HD1 PHE 45 -8.401 12.140 -1.860 344 HD2 PHE 45 HD2 PHE 45 -6.899 8.442 -0.388 345 HE1 PHE 45 HE1 PHE 45 -6.139 12.778 -2.582 346 HE2 PHE 45 HE2 PHE 45 -4.634 9.072 -1.109 347 HZ PHE 45 HZ PHE 45 -4.251 11.241 -2.206 348 H VAL 46 HN VAL 46 -10.638 7.054 -1.191 349 HA VAL 46 HA VAL 46 -8.680 5.707 -2.691 350 HB VAL 46 HB VAL 46 -11.373 4.612 -1.799 351 HG11 VAL 46 HG11 VAL 46 -10.273 3.176 -3.435 352 HG12 VAL 46 HG12 VAL 46 -10.270 2.420 -1.835 353 HG13 VAL 46 HG13 VAL 46 -8.806 3.182 -2.457 354 HG21 VAL 46 HG21 VAL 46 -8.724 4.589 -0.360 355 HG22 VAL 46 HG22 VAL 46 -10.204 3.798 0.182 356 HG23 VAL 46 HG23 VAL 46 -10.133 5.559 0.075 357 H GLY 47 HN GLY 47 -11.860 6.897 -3.514 358 HA2 GLY 47 HA2 GLY 47 -12.165 5.428 -5.946 359 HA3 GLY 47 HA1 GLY 47 -13.067 6.866 -5.475 360 H SER 48 HN SER 48 -11.021 8.645 -5.101 361 HA SER 48 HA SER 48 -10.563 9.566 -7.689 362 HB2 SER 48 HB2 SER 48 -9.235 10.411 -5.110 363 HB3 SER 48 HB1 SER 48 -9.360 11.367 -6.590 364 HG SER 48 HG SER 48 -11.005 11.603 -4.747 365 H VAL 49 HN VAL 49 -8.554 7.561 -5.582 366 HA VAL 49 HA VAL 49 -6.247 7.968 -7.283 367 HB VAL 49 HB VAL 49 -5.017 6.398 -5.868 368 HG11 VAL 49 HG11 VAL 49 -5.099 8.698 -5.177 369 HG12 VAL 49 HG12 VAL 49 -5.100 7.649 -3.757 370 HG13 VAL 49 HG13 VAL 49 -6.597 8.412 -4.291 371 HG21 VAL 49 HG21 VAL 49 -6.058 5.427 -3.848 372 HG22 VAL 49 HG22 VAL 49 -6.767 4.807 -5.340 373 HG23 VAL 49 HG23 VAL 49 -7.623 6.027 -4.403 374 H ASN 50 HN ASN 50 -8.924 6.177 -7.560 375 HA ASN 50 HA ASN 50 -7.577 4.120 -9.168 376 HB2 ASN 50 HB2 ASN 50 -10.295 4.170 -7.878 377 HB3 ASN 50 HB1 ASN 50 -10.000 3.130 -9.259 378 HD21 ASN 50 HD21 ASN 50 -9.311 3.699 -5.900 379 HD22 ASN 50 HD22 ASN 50 -8.546 2.183 -5.588 380 H GLY 51 HN GLY 51 -10.362 6.312 -9.241 381 HA2 GLY 51 HA2 GLY 51 -10.089 7.736 -11.385 382 HA3 GLY 51 HA1 GLY 51 -10.344 6.172 -12.156 383 H GLY 52 HN GLY 52 -12.162 5.144 -10.286 384 HA2 GLY 52 HA2 GLY 52 -14.372 6.928 -9.977 385 HA3 GLY 52 HA1 GLY 52 -14.576 5.837 -11.346 386 H ASN 53 HN ASN 53 -13.461 3.534 -10.453 387 HA ASN 53 HA ASN 53 -15.411 2.739 -8.446 388 HB2 ASN 53 HB2 ASN 53 -14.865 0.442 -9.020 389 HB3 ASN 53 HB1 ASN 53 -15.080 1.337 -10.516 390 HD21 ASN 53 HD21 ASN 53 -13.675 -1.150 -9.980 391 HD22 ASN 53 HD22 ASN 53 -12.045 -0.919 -10.487 392 H ARG 54 HN ARG 54 -14.390 0.936 -6.877 393 HA ARG 54 HA ARG 54 -11.858 2.039 -5.960 394 HB2 ARG 54 HB2 ARG 54 -14.276 1.473 -4.296 395 HB3 ARG 54 HB1 ARG 54 -12.673 1.521 -3.583 396 HG2 ARG 54 HG2 ARG 54 -12.399 3.807 -4.445 397 HG3 ARG 54 HG1 ARG 54 -14.038 3.739 -5.087 398 HD2 ARG 54 HD2 ARG 54 -13.324 3.384 -2.189 399 HD3 ARG 54 HD1 ARG 54 -13.811 4.915 -2.911 400 HE ARG 54 HE ARG 54 -15.622 2.663 -3.212 401 HH11 ARG 54 HH11 ARG 54 -14.800 5.629 -1.515 402 HH12 ARG 54 HH12 ARG 54 -16.354 5.977 -0.960 403 HH21 ARG 54 HH21 ARG 54 -17.776 2.989 -2.349 404 HH22 ARG 54 HH22 ARG 54 -18.104 4.356 -1.386 405 H THR 55 HN THR 55 -10.361 0.700 -6.042 406 HA THR 55 HA THR 55 -10.797 -2.163 -5.694 407 HB THR 55 HB THR 55 -8.242 -0.667 -6.325 408 HG1 THR 55 HG1 THR 55 -9.245 -0.172 -8.118 409 HG21 THR 55 HG21 THR 55 -7.565 -2.781 -7.309 410 HG22 THR 55 HG22 THR 55 -9.159 -3.474 -6.985 411 HG23 THR 55 HG23 THR 55 -8.099 -3.043 -5.644 412 H VAL 56 HN VAL 56 -9.549 -3.239 -3.964 413 HA VAL 56 HA VAL 56 -9.227 -1.451 -1.767 414 HB VAL 56 HB VAL 56 -8.615 -4.394 -1.670 415 HG11 VAL 56 HG11 VAL 56 -8.664 -4.049 0.752 416 HG12 VAL 56 HG12 VAL 56 -9.141 -2.373 0.483 417 HG13 VAL 56 HG13 VAL 56 -7.530 -2.873 0.037 418 HG21 VAL 56 HG21 VAL 56 -10.691 -4.569 -0.598 419 HG22 VAL 56 HG22 VAL 56 -10.917 -3.771 -2.208 420 HG23 VAL 56 HG23 VAL 56 -10.875 -2.812 -0.702 421 HA PRO 57 HA PRO 57 -5.330 -2.839 -1.182 422 HB2 PRO 57 HB2 PRO 57 -3.476 -4.293 -2.623 423 HB3 PRO 57 HB1 PRO 57 -4.625 -4.949 -1.468 424 HG2 PRO 57 HG2 PRO 57 -4.788 -4.912 -4.424 425 HG3 PRO 57 HG1 PRO 57 -5.528 -6.044 -3.285 426 HD2 PRO 57 HD2 PRO 57 -6.712 -3.841 -4.579 427 HD3 PRO 57 HD1 PRO 57 -7.437 -4.899 -3.326 428 H THR 58 HN THR 58 -4.938 -0.703 -1.712 429 HA THR 58 HA THR 58 -3.426 0.071 -4.055 430 HB THR 58 HB THR 58 -5.608 1.463 -2.487 431 HG1 THR 58 HG1 THR 58 -6.626 0.034 -3.651 432 HG21 THR 58 HG21 THR 58 -4.017 3.077 -3.536 433 HG22 THR 58 HG22 THR 58 -5.611 3.078 -4.333 434 HG23 THR 58 HG23 THR 58 -4.269 2.235 -5.079 435 H VAL 59 HN VAL 59 -1.558 0.949 -3.488 436 HA VAL 59 HA VAL 59 -1.131 1.624 -0.663 437 HB VAL 59 HB VAL 59 0.103 -0.408 -1.256 438 HG11 VAL 59 HG11 VAL 59 0.166 -0.272 -3.565 439 HG12 VAL 59 HG12 VAL 59 1.843 -0.371 -2.996 440 HG13 VAL 59 HG13 VAL 59 1.138 1.183 -3.509 441 HG21 VAL 59 HG21 VAL 59 2.399 0.268 -0.743 442 HG22 VAL 59 HG22 VAL 59 1.245 1.129 0.273 443 HG23 VAL 59 HG23 VAL 59 1.989 1.947 -1.103 444 H LYS 60 HN LYS 60 -0.326 3.526 -0.191 445 HA LYS 60 HA LYS 60 0.644 5.228 -2.367 446 HB2 LYS 60 HB2 LYS 60 -1.394 6.074 -1.172 447 HB3 LYS 60 HB1 LYS 60 -0.484 6.056 0.324 448 HG2 LYS 60 HG2 LYS 60 0.957 7.809 -0.428 449 HG3 LYS 60 HG1 LYS 60 0.292 7.725 -2.059 450 HD2 LYS 60 HD2 LYS 60 -0.675 9.633 -0.953 451 HD3 LYS 60 HD1 LYS 60 -1.919 8.402 -1.121 452 HE2 LYS 60 HE2 LYS 60 -2.089 9.383 1.066 453 HE3 LYS 60 HE1 LYS 60 -1.501 7.733 1.247 454 HZ1 LYS 60 HZ1 LYS 60 0.741 8.604 1.568 455 HZ2 LYS 60 HZ2 LYS 60 -0.309 9.350 2.644 456 HZ3 LYS 60 HZ3 LYS 60 0.199 10.163 1.280 457 H PHE 61 HN PHE 61 2.686 5.650 -2.354 458 HA PHE 61 HA PHE 61 4.375 4.800 -0.126 459 HB2 PHE 61 HB2 PHE 61 5.052 5.662 -2.940 460 HB3 PHE 61 HB1 PHE 61 6.235 5.209 -1.719 461 HD1 PHE 61 HD2 PHE 61 3.460 3.943 -3.795 462 HD2 PHE 61 HD1 PHE 61 6.688 2.973 -1.216 463 HE1 PHE 61 HE2 PHE 61 3.245 1.582 -4.414 464 HE2 PHE 61 HE1 PHE 61 6.481 0.627 -1.818 465 HZ PHE 61 HZ PHE 61 4.752 -0.095 -3.427 466 H ALA 62 HN ALA 62 6.443 6.239 0.099 467 HA ALA 62 HA ALA 62 5.591 8.664 1.255 468 HB1 ALA 62 HB1 ALA 62 7.859 9.015 1.903 469 HB2 ALA 62 HB2 ALA 62 8.439 7.915 0.671 470 HB3 ALA 62 HB3 ALA 62 7.528 7.286 2.050 471 H ASP 63 HN ASP 63 6.743 7.946 -1.903 472 HA ASP 63 HA ASP 63 7.337 10.704 -2.526 473 HB2 ASP 63 HB2 ASP 63 7.219 8.237 -4.269 474 HB3 ASP 63 HB1 ASP 63 7.412 9.842 -4.953 475 H GLY 64 HN GLY 64 4.555 9.216 -1.937 476 HA2 GLY 64 HA2 GLY 64 2.430 10.089 -2.170 477 HA3 GLY 64 HA1 GLY 64 3.035 11.205 -3.389 478 H SER 65 HN SER 65 4.210 8.301 -4.231 479 HA SER 65 HA SER 65 2.551 7.982 -6.476 480 HB2 SER 65 HB2 SER 65 4.404 5.945 -5.242 481 HB3 SER 65 HB1 SER 65 3.942 6.096 -6.939 482 HG SER 65 HG SER 65 4.934 8.278 -6.740 483 H THR 66 HN THR 66 0.658 6.840 -6.645 484 HA THR 66 HA THR 66 -0.020 4.990 -4.481 485 HB THR 66 HB THR 66 -2.390 5.379 -5.456 486 HG1 THR 66 HG1 THR 66 -2.609 6.937 -6.918 487 HG21 THR 66 HG21 THR 66 -2.728 7.403 -4.097 488 HG22 THR 66 HG22 THR 66 -0.981 7.648 -4.042 489 HG23 THR 66 HG23 THR 66 -1.698 6.236 -3.267 490 H LEU 67 HN LEU 67 -0.459 2.930 -5.074 491 HA LEU 67 HA LEU 67 -0.761 2.331 -7.933 492 HB2 LEU 67 HB2 LEU 67 1.022 0.833 -6.021 493 HB3 LEU 67 HB1 LEU 67 0.585 0.251 -7.610 494 HG LEU 67 HG LEU 67 2.332 2.622 -6.936 495 HD11 LEU 67 HD11 LEU 67 3.394 0.424 -6.666 496 HD12 LEU 67 HD12 LEU 67 4.076 1.324 -8.028 497 HD13 LEU 67 HD13 LEU 67 2.936 0.018 -8.320 498 HD21 LEU 67 HD21 LEU 67 1.089 3.193 -8.957 499 HD22 LEU 67 HD22 LEU 67 1.452 1.614 -9.654 500 HD23 LEU 67 HD23 LEU 67 2.746 2.774 -9.383 501 H THR 68 HN THR 68 -2.504 1.355 -8.268 502 HA THR 68 HA THR 68 -3.845 -0.162 -6.217 503 HB THR 68 HB THR 68 -4.573 0.596 -9.049 504 HG1 THR 68 HG1 THR 68 -5.641 1.515 -6.584 505 HG21 THR 68 HG21 THR 68 -5.678 -1.474 -8.408 506 HG22 THR 68 HG22 THR 68 -6.848 -0.150 -8.449 507 HG23 THR 68 HG23 THR 68 -6.219 -0.736 -6.905 508 H ASN 69 HN ASN 69 -3.513 -2.263 -6.056 509 HA ASN 69 HA ASN 69 -2.822 -4.337 -6.367 510 HB2 ASN 69 HB2 ASN 69 -3.738 -3.921 -9.223 511 HB3 ASN 69 HB1 ASN 69 -3.230 -5.469 -8.577 512 HD21 ASN 69 HD21 ASN 69 -5.725 -4.826 -9.724 513 HD22 ASN 69 HD22 ASN 69 -6.934 -5.089 -8.531 514 HA PRO 70 HA PRO 70 1.305 -3.526 -8.201 515 HB2 PRO 70 HB2 PRO 70 2.746 -3.194 -5.988 516 HB3 PRO 70 HB1 PRO 70 1.808 -1.839 -6.631 517 HG2 PRO 70 HG2 PRO 70 1.079 -3.752 -4.443 518 HG3 PRO 70 HG1 PRO 70 1.019 -1.976 -4.419 519 HD2 PRO 70 HD2 PRO 70 -1.195 -3.463 -4.927 520 HD3 PRO 70 HD1 PRO 70 -0.889 -1.898 -5.701 521 H SER 71 HN SER 71 3.328 -4.887 -7.438 522 HA SER 71 HA SER 71 2.358 -7.501 -6.524 523 HB2 SER 71 HB2 SER 71 4.875 -6.995 -8.103 524 HB3 SER 71 HB1 SER 71 3.973 -8.502 -7.919 525 HG SER 71 HG SER 71 3.606 -6.366 -9.554 526 H ALA 72 HN ALA 72 3.767 -8.654 -5.085 527 HA ALA 72 HA ALA 72 4.576 -7.198 -2.887 528 HB1 ALA 72 HB1 ALA 72 3.926 -9.555 -2.830 529 HB2 ALA 72 HB2 ALA 72 5.441 -9.262 -1.979 530 HB3 ALA 72 HB3 ALA 72 5.459 -9.986 -3.587 531 H ASP 73 HN ASP 73 6.688 -8.445 -5.452 532 HA ASP 73 HA ASP 73 9.061 -7.590 -4.038 533 HB2 ASP 73 HB2 ASP 73 9.088 -9.539 -5.614 534 HB3 ASP 73 HB1 ASP 73 8.850 -8.409 -6.946 535 H GLU 74 HN GLU 74 7.027 -6.381 -6.571 536 HA GLU 74 HA GLU 74 8.652 -4.205 -7.351 537 HB2 GLU 74 HB2 GLU 74 5.645 -4.437 -7.475 538 HB3 GLU 74 HB1 GLU 74 6.606 -3.214 -8.281 539 HG2 GLU 74 HG2 GLU 74 7.745 -5.038 -9.554 540 HG3 GLU 74 HG1 GLU 74 6.600 -6.179 -8.862 541 H VAL 75 HN VAL 75 6.184 -4.580 -4.866 542 HA VAL 75 HA VAL 75 6.097 -1.925 -3.981 543 HB VAL 75 HB VAL 75 5.707 -4.470 -2.351 544 HG11 VAL 75 HG11 VAL 75 4.522 -3.075 -0.713 545 HG12 VAL 75 HG12 VAL 75 4.953 -1.631 -1.631 546 HG13 VAL 75 HG13 VAL 75 6.213 -2.597 -0.864 547 HG21 VAL 75 HG21 VAL 75 4.111 -4.225 -4.172 548 HG22 VAL 75 HG22 VAL 75 3.702 -2.603 -3.610 549 HG23 VAL 75 HG23 VAL 75 3.321 -4.008 -2.612 550 H LYS 76 HN LYS 76 8.179 -4.603 -3.141 551 HA LYS 76 HA LYS 76 9.660 -3.379 -1.094 552 HB2 LYS 76 HB2 LYS 76 9.657 -5.785 -1.434 553 HB3 LYS 76 HB1 LYS 76 10.391 -5.577 -3.017 554 HG2 LYS 76 HG2 LYS 76 12.417 -4.776 -2.008 555 HG3 LYS 76 HG1 LYS 76 11.721 -4.911 -0.383 556 HD2 LYS 76 HD2 LYS 76 13.179 -6.797 -0.882 557 HD3 LYS 76 HD1 LYS 76 11.507 -7.349 -0.764 558 HE2 LYS 76 HE2 LYS 76 11.310 -7.371 -3.181 559 HE3 LYS 76 HE1 LYS 76 12.941 -6.721 -3.346 560 HZ1 LYS 76 HZ1 LYS 76 12.753 -9.119 -3.713 561 HZ2 LYS 76 HZ2 LYS 76 12.306 -9.330 -2.090 562 HZ3 LYS 76 HZ3 LYS 76 13.820 -8.730 -2.465 563 H ALA 77 HN ALA 77 10.176 -3.491 -4.596 564 HA ALA 77 HA ALA 77 12.677 -2.118 -4.559 565 HB1 ALA 77 HB1 ALA 77 11.947 -3.526 -6.444 566 HB2 ALA 77 HB2 ALA 77 12.394 -1.905 -6.967 567 HB3 ALA 77 HB3 ALA 77 10.692 -2.350 -6.827 568 H LYS 78 HN LYS 78 9.368 -1.037 -4.715 569 HA LYS 78 HA LYS 78 10.083 1.732 -5.158 570 HB2 LYS 78 HB2 LYS 78 7.520 0.418 -4.263 571 HB3 LYS 78 HB1 LYS 78 7.688 2.142 -4.587 572 HG2 LYS 78 HG2 LYS 78 8.170 -0.034 -6.608 573 HG3 LYS 78 HG1 LYS 78 6.643 0.828 -6.413 574 HD2 LYS 78 HD2 LYS 78 7.747 2.932 -6.926 575 HD3 LYS 78 HD1 LYS 78 9.300 2.106 -7.065 576 HE2 LYS 78 HE2 LYS 78 6.881 1.577 -8.780 577 HE3 LYS 78 HE1 LYS 78 8.251 2.581 -9.248 578 HZ1 LYS 78 HZ1 LYS 78 9.672 0.623 -9.013 579 HZ2 LYS 78 HZ2 LYS 78 8.514 0.425 -10.182 580 HZ3 LYS 78 HZ3 LYS 78 8.339 -0.359 -8.711 581 H LEU 79 HN LEU 79 9.579 -0.364 -2.475 582 HA LEU 79 HA LEU 79 9.351 1.565 -0.485 583 HB2 LEU 79 HB2 LEU 79 8.882 -0.977 -0.251 584 HB3 LEU 79 HB1 LEU 79 10.595 -1.159 -0.242 585 HG LEU 79 HG LEU 79 10.738 0.107 1.839 586 HD11 LEU 79 HD11 LEU 79 8.689 1.466 1.838 587 HD12 LEU 79 HD12 LEU 79 8.712 0.379 3.210 588 HD13 LEU 79 HD13 LEU 79 7.735 -0.020 1.814 589 HD21 LEU 79 HD21 LEU 79 9.805 -1.699 3.236 590 HD22 LEU 79 HD22 LEU 79 10.746 -2.274 1.855 591 HD23 LEU 79 HD23 LEU 79 8.986 -2.319 1.799 592 H VAL 80 HN VAL 80 12.128 -0.096 -1.918 593 HA VAL 80 HA VAL 80 14.013 1.005 -0.146 594 HB VAL 80 HB VAL 80 15.793 0.248 -1.617 595 HG11 VAL 80 HG11 VAL 80 15.282 -2.125 -1.717 596 HG12 VAL 80 HG12 VAL 80 13.585 -1.730 -1.371 597 HG13 VAL 80 HG13 VAL 80 14.832 -1.370 -0.183 598 HG21 VAL 80 HG21 VAL 80 15.303 -0.901 -3.755 599 HG22 VAL 80 HG22 VAL 80 14.956 0.826 -3.780 600 HG23 VAL 80 HG23 VAL 80 13.634 -0.324 -3.627 601 H LYS 81 HN LYS 81 12.770 2.224 -3.201 602 HA LYS 81 HA LYS 81 14.751 4.272 -3.311 603 HB2 LYS 81 HB2 LYS 81 13.488 5.320 -5.111 604 HB3 LYS 81 HB1 LYS 81 13.614 3.595 -5.395 605 HG2 LYS 81 HG2 LYS 81 11.304 3.300 -4.627 606 HG3 LYS 81 HG1 LYS 81 11.188 5.029 -4.321 607 HD2 LYS 81 HD2 LYS 81 11.820 3.877 -7.038 608 HD3 LYS 81 HD1 LYS 81 10.184 4.236 -6.506 609 HE2 LYS 81 HE2 LYS 81 12.362 6.328 -6.526 610 HE3 LYS 81 HE1 LYS 81 11.363 6.004 -7.933 611 HZ1 LYS 81 HZ1 LYS 81 9.403 6.548 -6.593 612 HZ2 LYS 81 HZ2 LYS 81 10.443 7.829 -6.712 613 HZ3 LYS 81 HZ3 LYS 81 10.340 7.005 -5.273 614 H ILE 82 HN ILE 82 11.593 4.034 -1.881 615 HA ILE 82 HA ILE 82 11.533 6.843 -1.420 616 HB ILE 82 HB ILE 82 9.424 6.549 -0.245 617 HG12 ILE 82 HG12 ILE 82 8.381 4.137 -0.328 618 HG13 ILE 82 HG11 ILE 82 10.055 3.605 -0.345 619 HG21 ILE 82 HG21 ILE 82 8.090 5.645 -2.059 620 HG22 ILE 82 HG22 ILE 82 9.516 4.863 -2.727 621 HG23 ILE 82 HG23 ILE 82 9.426 6.621 -2.663 622 HD11 ILE 82 HD11 ILE 82 9.116 3.524 1.895 623 HD12 ILE 82 HD12 ILE 82 8.735 5.243 1.808 624 HD13 ILE 82 HD13 ILE 82 10.419 4.712 1.803 625 H ALA 83 HN ALA 83 12.552 4.083 0.376 626 HA ALA 83 HA ALA 83 12.902 5.544 2.821 627 HB1 ALA 83 HB1 ALA 83 14.060 3.537 3.617 628 HB2 ALA 83 HB2 ALA 83 14.057 2.880 1.983 629 HB3 ALA 83 HB3 ALA 83 12.534 3.115 2.840 630 H GLY 84 HN GLY 84 15.069 4.356 0.241 631 HA2 GLY 84 HA2 GLY 84 16.958 5.384 -0.579 632 HA3 GLY 84 HA1 GLY 84 16.825 6.607 0.682 633 H LEU 85 HN LEU 85 17.121 5.625 2.922 634 HA LEU 85 HA LEU 85 19.647 4.134 2.882 635 HB2 LEU 85 HB2 LEU 85 18.363 5.730 5.104 636 HB3 LEU 85 HB1 LEU 85 19.927 4.953 5.185 637 HG LEU 85 HG LEU 85 19.205 7.279 3.400 638 HD11 LEU 85 HD11 LEU 85 20.926 7.128 5.864 639 HD12 LEU 85 HD12 LEU 85 19.346 7.900 5.744 640 HD13 LEU 85 HD13 LEU 85 20.715 8.546 4.838 641 HD21 LEU 85 HD21 LEU 85 21.602 7.358 2.895 642 HD22 LEU 85 HD22 LEU 85 20.886 5.841 2.356 643 HD23 LEU 85 HD23 LEU 85 21.849 5.891 3.834 644 H GLU 86 HN GLU 86 19.821 2.879 5.119 645 HA GLU 86 HA GLU 86 19.227 1.255 6.518 646 HB2 GLU 86 HB2 GLU 86 17.279 2.657 7.139 647 HB3 GLU 86 HB1 GLU 86 16.349 1.895 5.862 648 HG2 GLU 86 HG2 GLU 86 16.478 -0.234 6.975 649 HG3 GLU 86 HG1 GLU 86 17.544 0.438 8.205 650 H HIS 87 HN HIS 87 17.137 1.071 3.697 651 HA HIS 87 HA HIS 87 17.310 -1.777 3.572 652 HB2 HIS 87 HB2 HIS 87 16.356 0.267 1.574 653 HB3 HIS 87 HB1 HIS 87 16.443 -1.447 1.185 654 HD1 HIS 87 HD1 HIS 87 14.473 -2.858 1.876 655 HD2 HIS 87 HD2 HIS 87 14.537 0.856 3.743 656 HE1 HIS 87 HE1 HIS 87 12.341 -2.700 3.165 657 H HIS 88 HN HIS 88 19.202 0.806 2.533 658 HA HIS 88 HA HIS 88 21.045 -0.995 1.185 659 HB2 HIS 88 HB2 HIS 88 20.571 1.960 0.630 660 HB3 HIS 88 HB1 HIS 88 21.790 0.961 -0.142 661 HD1 HIS 88 HD1 HIS 88 20.888 -0.799 -1.963 662 HD2 HIS 88 HD2 HIS 88 18.042 1.814 -0.417 663 HE1 HIS 88 HE1 HIS 88 18.888 -0.981 -3.451 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 6.927 6.978 16.723 2 H2 MET 1 HT2 MET 1 5.469 6.945 17.528 3 H3 MET 1 HT3 MET 1 5.939 8.345 16.665 4 HA MET 1 HA MET 1 5.375 5.691 15.521 5 HB2 MET 1 HB2 MET 1 3.818 8.275 15.239 6 HB3 MET 1 HB1 MET 1 3.408 6.733 14.510 7 HG2 MET 1 HG2 MET 1 3.362 7.443 17.428 8 HG3 MET 1 HG1 MET 1 1.987 7.070 16.391 9 HE1 MET 1 HE1 MET 1 2.090 4.034 18.871 10 HE2 MET 1 HE2 MET 1 1.112 5.348 18.218 11 HE3 MET 1 HE3 MET 1 2.500 5.708 19.242 12 H VAL 2 HN VAL 2 6.801 5.408 13.980 13 HA VAL 2 HA VAL 2 8.068 7.638 12.649 14 HB VAL 2 HB VAL 2 8.327 4.654 12.158 15 HG11 VAL 2 HG11 VAL 2 8.959 5.935 10.190 16 HG12 VAL 2 HG12 VAL 2 10.382 5.200 10.931 17 HG13 VAL 2 HG13 VAL 2 10.055 6.920 11.157 18 HG21 VAL 2 HG21 VAL 2 10.100 6.545 13.693 19 HG22 VAL 2 HG22 VAL 2 10.449 4.845 13.373 20 HG23 VAL 2 HG23 VAL 2 9.074 5.291 14.386 21 H THR 3 HN THR 3 5.594 5.328 12.083 22 HA THR 3 HA THR 3 4.185 4.782 10.533 23 HB THR 3 HB THR 3 3.270 6.471 8.944 24 HG1 THR 3 HG1 THR 3 5.577 7.729 9.548 25 HG21 THR 3 HG21 THR 3 2.373 8.015 10.632 26 HG22 THR 3 HG22 THR 3 3.617 7.486 11.762 27 HG23 THR 3 HG23 THR 3 2.387 6.351 11.213 28 H ALA 4 HN ALA 4 3.951 3.810 8.570 29 HA ALA 4 HA ALA 4 6.474 3.242 7.353 30 HB1 ALA 4 HB1 ALA 4 5.212 1.668 6.027 31 HB2 ALA 4 HB2 ALA 4 3.702 2.327 6.687 32 HB3 ALA 4 HB3 ALA 4 4.844 1.490 7.746 33 H ALA 5 HN ALA 5 6.957 3.532 5.189 34 HA ALA 5 HA ALA 5 6.079 6.039 4.145 35 HB1 ALA 5 HB1 ALA 5 7.935 3.993 2.976 36 HB2 ALA 5 HB2 ALA 5 8.406 5.334 4.023 37 HB3 ALA 5 HB3 ALA 5 7.748 5.656 2.415 38 H LEU 6 HN LEU 6 4.820 3.002 3.947 39 HA LEU 6 HA LEU 6 3.369 3.723 1.537 40 HB2 LEU 6 HB2 LEU 6 2.899 1.315 1.159 41 HB3 LEU 6 HB1 LEU 6 4.555 1.742 0.861 42 HG LEU 6 HG LEU 6 3.744 0.533 3.464 43 HD11 LEU 6 HD11 LEU 6 4.421 -0.877 0.875 44 HD12 LEU 6 HD12 LEU 6 2.850 -0.909 1.675 45 HD13 LEU 6 HD13 LEU 6 4.245 -1.674 2.436 46 HD21 LEU 6 HD21 LEU 6 6.051 -0.302 3.396 47 HD22 LEU 6 HD22 LEU 6 6.004 1.456 3.235 48 HD23 LEU 6 HD23 LEU 6 6.260 0.444 1.815 49 H THR 7 HN THR 7 1.401 4.077 1.843 50 HA THR 7 HA THR 7 0.099 3.033 4.239 51 HB THR 7 HB THR 7 -0.659 5.433 2.548 52 HG1 THR 7 HG1 THR 7 1.319 5.054 4.281 53 HG21 THR 7 HG21 THR 7 -1.478 4.568 5.331 54 HG22 THR 7 HG22 THR 7 -2.481 4.453 3.878 55 HG23 THR 7 HG23 THR 7 -2.009 6.035 4.502 56 H ILE 8 HN ILE 8 -1.169 1.387 3.781 57 HA ILE 8 HA ILE 8 -2.059 0.941 1.024 58 HB ILE 8 HB ILE 8 -1.910 -0.975 3.366 59 HG12 ILE 8 HG12 ILE 8 -0.201 -0.735 0.886 60 HG13 ILE 8 HG11 ILE 8 0.293 -0.361 2.533 61 HG21 ILE 8 HG21 ILE 8 -3.726 -1.533 1.851 62 HG22 ILE 8 HG22 ILE 8 -2.449 -2.745 1.794 63 HG23 ILE 8 HG23 ILE 8 -2.616 -1.579 0.476 64 HD11 ILE 8 HD11 ILE 8 0.005 -2.705 3.140 65 HD12 ILE 8 HD12 ILE 8 1.155 -2.498 1.814 66 HD13 ILE 8 HD13 ILE 8 -0.483 -3.059 1.483 67 H TYR 9 HN TYR 9 -4.121 0.823 0.536 68 HA TYR 9 HA TYR 9 -6.034 1.544 2.573 69 HB2 TYR 9 HB2 TYR 9 -6.170 1.426 -0.454 70 HB3 TYR 9 HB1 TYR 9 -7.510 1.961 0.547 71 HD1 TYR 9 HD1 TYR 9 -4.144 2.810 -0.694 72 HD2 TYR 9 HD2 TYR 9 -7.440 4.166 1.632 73 HE1 TYR 9 HE1 TYR 9 -3.187 5.052 -0.676 74 HE2 TYR 9 HE2 TYR 9 -6.482 6.437 1.654 75 HH TYR 9 HH TYR 9 -4.283 7.499 1.401 76 H THR 10 HN THR 10 -7.141 -0.072 3.585 77 HA THR 10 HA THR 10 -7.642 -2.541 2.111 78 HB THR 10 HB THR 10 -7.456 -3.622 4.428 79 HG1 THR 10 HG1 THR 10 -6.290 -2.494 5.963 80 HG21 THR 10 HG21 THR 10 -4.953 -2.512 3.146 81 HG22 THR 10 HG22 THR 10 -5.785 -3.995 2.665 82 HG23 THR 10 HG23 THR 10 -5.012 -3.883 4.250 83 H THR 11 HN THR 11 -9.558 -3.701 2.845 84 HA THR 11 HA THR 11 -11.296 -2.213 4.580 85 HB THR 11 HB THR 11 -13.257 -2.713 3.088 86 HG1 THR 11 HG1 THR 11 -11.276 -3.172 1.132 87 HG21 THR 11 HG21 THR 11 -12.895 -0.872 1.502 88 HG22 THR 11 HG22 THR 11 -11.170 -0.909 1.869 89 HG23 THR 11 HG23 THR 11 -12.326 -0.451 3.119 90 H SER 12 HN SER 12 -13.325 -3.698 4.995 91 HA SER 12 HA SER 12 -12.417 -6.353 5.660 92 HB2 SER 12 HB2 SER 12 -15.215 -5.236 5.869 93 HB3 SER 12 HB1 SER 12 -14.454 -6.473 6.869 94 HG SER 12 HG SER 12 -12.955 -4.293 7.148 95 H TRP 13 HN TRP 13 -13.673 -4.803 2.971 96 HA TRP 13 HA TRP 13 -15.770 -6.628 2.208 97 HB2 TRP 13 HB2 TRP 13 -14.563 -4.428 0.553 98 HB3 TRP 13 HB1 TRP 13 -16.146 -5.164 0.382 99 HD1 TRP 13 HD1 TRP 13 -16.921 -4.844 3.563 100 HE1 TRP 13 HE1 TRP 13 -17.544 -2.498 4.410 101 HE3 TRP 13 HE3 TRP 13 -14.826 -2.054 -0.170 102 HZ2 TRP 13 HZ2 TRP 13 -17.217 0.185 3.588 103 HZ3 TRP 13 HZ3 TRP 13 -15.035 0.398 -0.067 104 HH2 TRP 13 HH2 TRP 13 -16.210 1.490 1.769 105 H CYS 14 HN CYS 14 -12.401 -6.396 1.665 106 HA CYS 14 HA CYS 14 -12.643 -7.840 -0.864 107 HB2 CYS 14 HB2 CYS 14 -10.308 -7.029 -1.235 108 HB3 CYS 14 HB1 CYS 14 -11.561 -5.793 -1.209 109 H GLY 15 HN GLY 15 -11.508 -9.664 -1.226 110 HA2 GLY 15 HA2 GLY 15 -10.099 -10.846 1.045 111 HA3 GLY 15 HA1 GLY 15 -10.651 -11.709 -0.392 112 H TYR 16 HN TYR 16 -9.718 -10.013 -2.362 113 HA TYR 16 HA TYR 16 -7.123 -10.959 -2.721 114 HB2 TYR 16 HB2 TYR 16 -7.005 -9.694 -4.788 115 HB3 TYR 16 HB1 TYR 16 -8.608 -10.370 -4.614 116 HD1 TYR 16 HD1 TYR 16 -10.128 -8.423 -3.123 117 HD2 TYR 16 HD2 TYR 16 -7.048 -7.705 -5.974 118 HE1 TYR 16 HE1 TYR 16 -11.108 -6.227 -3.643 119 HE2 TYR 16 HE2 TYR 16 -8.013 -5.532 -6.482 120 HH TYR 16 HH TYR 16 -10.235 -4.456 -6.344 121 H CYS 17 HN CYS 17 -8.094 -8.083 -1.124 122 HA CYS 17 HA CYS 17 -5.672 -6.640 -1.364 123 HB2 CYS 17 HB2 CYS 17 -6.503 -5.507 0.773 124 HB3 CYS 17 HB1 CYS 17 -7.578 -5.377 -0.628 125 H LEU 18 HN LEU 18 -6.938 -9.047 0.844 126 HA LEU 18 HA LEU 18 -5.038 -8.784 2.895 127 HB2 LEU 18 HB2 LEU 18 -7.291 -9.630 3.163 128 HB3 LEU 18 HB1 LEU 18 -6.881 -11.033 2.206 129 HG LEU 18 HG LEU 18 -5.336 -11.795 3.913 130 HD11 LEU 18 HD11 LEU 18 -6.179 -9.316 5.427 131 HD12 LEU 18 HD12 LEU 18 -4.562 -9.649 4.786 132 HD13 LEU 18 HD13 LEU 18 -5.218 -10.640 6.078 133 HD21 LEU 18 HD21 LEU 18 -7.992 -10.955 4.938 134 HD22 LEU 18 HD22 LEU 18 -6.973 -12.211 5.655 135 HD23 LEU 18 HD23 LEU 18 -7.646 -12.426 4.026 136 H ARG 19 HN ARG 19 -5.171 -10.598 -0.052 137 HA ARG 19 HA ARG 19 -3.219 -12.551 0.577 138 HB2 ARG 19 HB2 ARG 19 -4.317 -11.538 -2.033 139 HB3 ARG 19 HB1 ARG 19 -2.923 -12.601 -2.038 140 HG2 ARG 19 HG2 ARG 19 -5.055 -13.803 -2.410 141 HG3 ARG 19 HG1 ARG 19 -4.197 -14.360 -0.978 142 HD2 ARG 19 HD2 ARG 19 -5.669 -13.028 0.432 143 HD3 ARG 19 HD1 ARG 19 -6.503 -12.417 -0.991 144 HE ARG 19 HE ARG 19 -6.969 -14.928 -1.347 145 HH11 ARG 19 HH11 ARG 19 -6.825 -13.392 1.848 146 HH12 ARG 19 HH12 ARG 19 -8.113 -14.315 2.476 147 HH21 ARG 19 HH21 ARG 19 -8.712 -16.173 -0.447 148 HH22 ARG 19 HH22 ARG 19 -9.188 -15.944 1.170 149 H LEU 20 HN LEU 20 -2.896 -9.467 -1.170 150 HA LEU 20 HA LEU 20 -0.113 -9.696 -1.357 151 HB2 LEU 20 HB2 LEU 20 -1.199 -8.206 -2.885 152 HB3 LEU 20 HB1 LEU 20 -1.951 -7.315 -1.584 153 HG LEU 20 HG LEU 20 0.332 -6.459 -0.960 154 HD11 LEU 20 HD11 LEU 20 1.177 -7.749 -3.552 155 HD12 LEU 20 HD12 LEU 20 1.947 -7.908 -1.949 156 HD13 LEU 20 HD13 LEU 20 1.999 -6.405 -2.814 157 HD21 LEU 20 HD21 LEU 20 -0.707 -5.777 -3.693 158 HD22 LEU 20 HD22 LEU 20 0.393 -4.785 -2.728 159 HD23 LEU 20 HD23 LEU 20 -1.250 -5.093 -2.157 160 H LYS 21 HN LYS 21 -2.277 -8.265 0.945 161 HA LYS 21 HA LYS 21 -0.567 -6.857 2.619 162 HB2 LYS 21 HB2 LYS 21 -3.013 -6.745 2.716 163 HB3 LYS 21 HB1 LYS 21 -3.074 -8.422 3.212 164 HG2 LYS 21 HG2 LYS 21 -2.133 -7.883 5.347 165 HG3 LYS 21 HG1 LYS 21 -1.870 -6.210 4.848 166 HD2 LYS 21 HD2 LYS 21 -4.249 -5.822 4.678 167 HD3 LYS 21 HD1 LYS 21 -4.595 -7.517 4.955 168 HE2 LYS 21 HE2 LYS 21 -3.658 -7.375 7.208 169 HE3 LYS 21 HE1 LYS 21 -3.256 -5.683 6.947 170 HZ1 LYS 21 HZ1 LYS 21 -6.075 -6.637 6.785 171 HZ2 LYS 21 HZ2 LYS 21 -5.495 -5.052 7.093 172 HZ3 LYS 21 HZ3 LYS 21 -5.324 -6.253 8.227 173 H THR 22 HN THR 22 -1.287 -10.310 2.500 174 HA THR 22 HA THR 22 0.226 -10.947 4.836 175 HB THR 22 HB THR 22 -0.634 -12.822 2.604 176 HG1 THR 22 HG1 THR 22 -2.409 -11.596 3.529 177 HG21 THR 22 HG21 THR 22 0.987 -13.745 4.209 178 HG22 THR 22 HG22 THR 22 -0.597 -14.504 4.378 179 HG23 THR 22 HG23 THR 22 -0.075 -13.282 5.537 180 H ALA 23 HN ALA 23 0.833 -10.996 1.334 181 HA ALA 23 HA ALA 23 3.419 -12.167 1.316 182 HB1 ALA 23 HB1 ALA 23 2.006 -11.835 -0.702 183 HB2 ALA 23 HB2 ALA 23 3.642 -11.189 -0.889 184 HB3 ALA 23 HB3 ALA 23 2.293 -10.100 -0.560 185 H LEU 24 HN LEU 24 2.424 -8.835 1.645 186 HA LEU 24 HA LEU 24 5.044 -7.780 1.715 187 HB2 LEU 24 HB2 LEU 24 2.504 -6.719 2.909 188 HB3 LEU 24 HB1 LEU 24 3.974 -5.772 2.705 189 HG LEU 24 HG LEU 24 2.219 -6.921 0.553 190 HD11 LEU 24 HD11 LEU 24 1.819 -4.598 -0.033 191 HD12 LEU 24 HD12 LEU 24 2.810 -4.090 1.332 192 HD13 LEU 24 HD13 LEU 24 1.303 -4.961 1.613 193 HD21 LEU 24 HD21 LEU 24 4.534 -7.032 -0.162 194 HD22 LEU 24 HD22 LEU 24 4.752 -5.332 0.271 195 HD23 LEU 24 HD23 LEU 24 3.665 -5.773 -1.042 196 H THR 25 HN THR 25 2.976 -9.123 4.175 197 HA THR 25 HA THR 25 4.519 -8.362 6.405 198 HB THR 25 HB THR 25 2.671 -10.747 6.043 199 HG1 THR 25 HG1 THR 25 1.463 -8.893 5.766 200 HG21 THR 25 HG21 THR 25 4.148 -11.003 8.005 201 HG22 THR 25 HG22 THR 25 2.478 -10.726 8.500 202 HG23 THR 25 HG23 THR 25 3.652 -9.411 8.584 203 H ALA 26 HN ALA 26 4.529 -11.276 4.360 204 HA ALA 26 HA ALA 26 6.620 -12.617 5.733 205 HB1 ALA 26 HB1 ALA 26 5.712 -12.928 2.868 206 HB2 ALA 26 HB2 ALA 26 5.035 -13.779 4.256 207 HB3 ALA 26 HB3 ALA 26 6.705 -14.075 3.765 208 H ASN 27 HN ASN 27 6.549 -10.182 3.328 209 HA ASN 27 HA ASN 27 9.332 -10.385 2.562 210 HB2 ASN 27 HB2 ASN 27 6.976 -8.865 1.720 211 HB3 ASN 27 HB1 ASN 27 8.523 -8.017 1.488 212 HD21 ASN 27 HD21 ASN 27 6.467 -10.633 0.593 213 HD22 ASN 27 HD22 ASN 27 7.335 -11.122 -0.807 214 H ARG 28 HN ARG 28 7.965 -9.388 5.270 215 HA ARG 28 HA ARG 28 8.480 -8.117 7.035 216 HB2 ARG 28 HB2 ARG 28 10.753 -9.181 6.636 217 HB3 ARG 28 HB1 ARG 28 11.212 -7.722 5.765 218 HG2 ARG 28 HG2 ARG 28 10.719 -6.412 7.825 219 HG3 ARG 28 HG1 ARG 28 10.446 -7.927 8.670 220 HD2 ARG 28 HD2 ARG 28 12.743 -8.585 8.291 221 HD3 ARG 28 HD1 ARG 28 13.025 -7.131 7.327 222 HE ARG 28 HE ARG 28 12.069 -6.781 10.034 223 HH11 ARG 28 HH11 ARG 28 14.875 -6.696 7.864 224 HH12 ARG 28 HH12 ARG 28 15.795 -5.668 8.879 225 HH21 ARG 28 HH21 ARG 28 13.380 -5.382 11.430 226 HH22 ARG 28 HH22 ARG 28 14.934 -4.937 10.903 227 H ILE 29 HN ILE 29 7.153 -6.881 4.944 228 HA ILE 29 HA ILE 29 8.309 -4.229 4.822 229 HB ILE 29 HB ILE 29 5.948 -5.453 3.337 230 HG12 ILE 29 HG12 ILE 29 8.671 -4.557 2.393 231 HG13 ILE 29 HG11 ILE 29 8.218 -6.227 2.696 232 HG21 ILE 29 HG21 ILE 29 7.149 -2.691 3.071 233 HG22 ILE 29 HG22 ILE 29 5.562 -3.068 3.743 234 HG23 ILE 29 HG23 ILE 29 5.895 -3.376 2.036 235 HD11 ILE 29 HD11 ILE 29 8.189 -5.696 0.330 236 HD12 ILE 29 HD12 ILE 29 7.007 -4.415 0.619 237 HD13 ILE 29 HD13 ILE 29 6.578 -6.103 0.910 238 H ALA 30 HN ALA 30 7.713 -2.757 6.180 239 HA ALA 30 HA ALA 30 5.474 -3.147 7.945 240 HB1 ALA 30 HB1 ALA 30 6.245 -1.024 8.955 241 HB2 ALA 30 HB2 ALA 30 7.439 -0.858 7.667 242 HB3 ALA 30 HB3 ALA 30 7.562 -2.190 8.815 243 H TYR 31 HN TYR 31 3.515 -2.363 7.541 244 HA TYR 31 HA TYR 31 3.238 -0.155 5.667 245 HB2 TYR 31 HB2 TYR 31 1.342 -1.286 4.555 246 HB3 TYR 31 HB1 TYR 31 2.870 -2.112 4.298 247 HD1 TYR 31 HD2 TYR 31 -0.396 -2.270 5.997 248 HD2 TYR 31 HD1 TYR 31 3.220 -4.341 5.134 249 HE1 TYR 31 HE2 TYR 31 -1.408 -4.359 6.790 250 HE2 TYR 31 HE1 TYR 31 2.212 -6.436 5.911 251 HH TYR 31 HH TYR 31 0.482 -7.195 7.273 252 H ASP 32 HN ASP 32 1.484 1.121 5.971 253 HA ASP 32 HA ASP 32 -0.061 0.585 8.402 254 HB2 ASP 32 HB2 ASP 32 0.759 3.184 7.103 255 HB3 ASP 32 HB1 ASP 32 -0.620 3.107 8.185 256 H GLU 33 HN GLU 33 -2.117 0.115 8.093 257 HA GLU 33 HA GLU 33 -3.146 0.544 5.419 258 HB2 GLU 33 HB2 GLU 33 -4.853 -1.121 5.989 259 HB3 GLU 33 HB1 GLU 33 -3.230 -1.750 6.172 260 HG2 GLU 33 HG2 GLU 33 -3.445 -1.354 8.624 261 HG3 GLU 33 HG1 GLU 33 -5.139 -0.940 8.342 262 H VAL 34 HN VAL 34 -5.290 1.365 5.158 263 HA VAL 34 HA VAL 34 -5.584 3.615 6.983 264 HB VAL 34 HB VAL 34 -7.004 3.327 4.332 265 HG11 VAL 34 HG11 VAL 34 -7.137 5.760 4.405 266 HG12 VAL 34 HG12 VAL 34 -6.311 5.765 5.959 267 HG13 VAL 34 HG13 VAL 34 -7.913 5.045 5.822 268 HG21 VAL 34 HG21 VAL 34 -4.342 4.593 4.909 269 HG22 VAL 34 HG22 VAL 34 -5.204 4.668 3.371 270 HG23 VAL 34 HG23 VAL 34 -4.605 3.122 3.975 271 H ASP 35 HN ASP 35 -7.270 4.291 7.927 272 HA ASP 35 HA ASP 35 -9.088 2.563 9.138 273 HB2 ASP 35 HB2 ASP 35 -10.002 4.656 10.120 274 HB3 ASP 35 HB1 ASP 35 -8.265 4.449 10.311 275 H ILE 36 HN ILE 36 -9.374 3.595 6.057 276 HA ILE 36 HA ILE 36 -11.782 4.864 5.614 277 HB ILE 36 HB ILE 36 -11.959 3.788 3.412 278 HG12 ILE 36 HG12 ILE 36 -9.561 2.142 4.208 279 HG13 ILE 36 HG11 ILE 36 -11.211 1.526 4.168 280 HG21 ILE 36 HG21 ILE 36 -9.154 4.613 4.122 281 HG22 ILE 36 HG22 ILE 36 -10.476 5.680 3.640 282 HG23 ILE 36 HG23 ILE 36 -9.818 4.521 2.495 283 HD11 ILE 36 HD11 ILE 36 -9.905 0.962 2.178 284 HD12 ILE 36 HD12 ILE 36 -9.797 2.710 1.813 285 HD13 ILE 36 HD13 ILE 36 -11.359 1.897 1.843 286 H GLU 37 HN GLU 37 -11.444 1.570 6.626 287 HA GLU 37 HA GLU 37 -13.836 0.418 5.866 288 HB2 GLU 37 HB2 GLU 37 -12.248 0.039 8.406 289 HB3 GLU 37 HB1 GLU 37 -13.550 -1.027 7.888 290 HG2 GLU 37 HG2 GLU 37 -12.373 -1.628 5.958 291 HG3 GLU 37 HG1 GLU 37 -11.054 -0.492 6.287 292 H HIS 38 HN HIS 38 -13.159 2.715 8.407 293 HA HIS 38 HA HIS 38 -16.007 2.813 9.080 294 HB2 HIS 38 HB2 HIS 38 -15.343 3.330 11.448 295 HB3 HIS 38 HB1 HIS 38 -14.978 1.691 10.940 296 HD1 HIS 38 HD1 HIS 38 -12.514 0.964 11.099 297 HD2 HIS 38 HD2 HIS 38 -13.071 5.024 11.801 298 HE1 HIS 38 HE1 HIS 38 -10.323 1.822 11.981 299 H ASN 39 HN ASN 39 -14.176 4.411 7.309 300 HA ASN 39 HA ASN 39 -14.962 7.039 8.343 301 HB2 ASN 39 HB2 ASN 39 -12.690 6.840 9.088 302 HB3 ASN 39 HB1 ASN 39 -12.167 6.333 7.485 303 HD21 ASN 39 HD21 ASN 39 -10.864 7.887 7.017 304 HD22 ASN 39 HD22 ASN 39 -11.141 9.570 6.971 305 H ARG 40 HN ARG 40 -15.985 8.058 6.815 306 HA ARG 40 HA ARG 40 -15.836 7.178 4.097 307 HB2 ARG 40 HB2 ARG 40 -17.615 8.692 3.636 308 HB3 ARG 40 HB1 ARG 40 -17.944 7.963 5.195 309 HG2 ARG 40 HG2 ARG 40 -16.985 10.057 6.247 310 HG3 ARG 40 HG1 ARG 40 -16.980 10.754 4.633 311 HD2 ARG 40 HD2 ARG 40 -19.005 11.421 5.722 312 HD3 ARG 40 HD1 ARG 40 -19.410 10.247 4.467 313 HE ARG 40 HE ARG 40 -19.036 9.363 7.225 314 HH11 ARG 40 HH11 ARG 40 -21.217 9.712 4.427 315 HH12 ARG 40 HH12 ARG 40 -22.496 8.886 5.146 316 HH21 ARG 40 HH21 ARG 40 -20.795 8.213 8.197 317 HH22 ARG 40 HH22 ARG 40 -22.253 7.964 7.378 318 H ALA 41 HN ALA 41 -14.285 9.686 5.966 319 HA ALA 41 HA ALA 41 -13.912 11.399 3.768 320 HB1 ALA 41 HB1 ALA 41 -12.393 11.623 6.381 321 HB2 ALA 41 HB2 ALA 41 -13.997 12.251 6.080 322 HB3 ALA 41 HB3 ALA 41 -12.636 12.857 5.151 323 H ALA 42 HN ALA 42 -11.826 8.972 5.090 324 HA ALA 42 HA ALA 42 -9.766 9.688 3.183 325 HB1 ALA 42 HB1 ALA 42 -8.576 7.696 4.024 326 HB2 ALA 42 HB2 ALA 42 -9.985 7.286 5.009 327 HB3 ALA 42 HB3 ALA 42 -9.082 8.768 5.326 328 H ALA 43 HN ALA 43 -12.509 7.648 3.364 329 HA ALA 43 HA ALA 43 -11.832 5.792 1.329 330 HB1 ALA 43 HB1 ALA 43 -14.560 6.650 2.281 331 HB2 ALA 43 HB2 ALA 43 -13.565 5.422 3.040 332 HB3 ALA 43 HB3 ALA 43 -14.183 5.160 1.397 333 H GLU 44 HN GLU 44 -13.244 8.941 1.402 334 HA GLU 44 HA GLU 44 -14.240 9.124 -1.204 335 HB2 GLU 44 HB2 GLU 44 -14.606 10.626 0.857 336 HB3 GLU 44 HB1 GLU 44 -13.078 11.372 0.453 337 HG2 GLU 44 HG2 GLU 44 -15.407 11.298 -1.444 338 HG3 GLU 44 HG1 GLU 44 -15.188 12.575 -0.263 339 H PHE 45 HN PHE 45 -11.016 9.634 0.181 340 HA PHE 45 HA PHE 45 -9.841 10.656 -2.187 341 HB2 PHE 45 HB2 PHE 45 -8.704 11.034 -0.065 342 HB3 PHE 45 HB1 PHE 45 -8.533 9.300 0.193 343 HD1 PHE 45 HD1 PHE 45 -7.540 12.047 -2.096 344 HD2 PHE 45 HD2 PHE 45 -6.658 8.174 -0.584 345 HE1 PHE 45 HE1 PHE 45 -5.397 12.070 -3.306 346 HE2 PHE 45 HE2 PHE 45 -4.509 8.193 -1.791 347 HZ PHE 45 HZ PHE 45 -3.884 10.148 -3.156 348 H VAL 46 HN VAL 46 -10.431 7.451 -0.995 349 HA VAL 46 HA VAL 46 -8.816 6.072 -2.870 350 HB VAL 46 HB VAL 46 -11.361 5.055 -1.549 351 HG11 VAL 46 HG11 VAL 46 -9.015 3.552 -2.703 352 HG12 VAL 46 HG12 VAL 46 -10.612 3.677 -3.428 353 HG13 VAL 46 HG13 VAL 46 -10.400 2.828 -1.886 354 HG21 VAL 46 HG21 VAL 46 -9.923 4.111 0.172 355 HG22 VAL 46 HG22 VAL 46 -9.727 5.870 0.100 356 HG23 VAL 46 HG23 VAL 46 -8.512 4.817 -0.611 357 H GLY 47 HN GLY 47 -12.010 7.437 -2.942 358 HA2 GLY 47 HA2 GLY 47 -12.757 6.318 -5.480 359 HA3 GLY 47 HA1 GLY 47 -13.582 7.616 -4.619 360 H SER 48 HN SER 48 -11.029 9.088 -4.373 361 HA SER 48 HA SER 48 -11.141 10.618 -6.739 362 HB2 SER 48 HB2 SER 48 -10.434 11.573 -4.561 363 HB3 SER 48 HB1 SER 48 -9.008 10.546 -4.573 364 HG SER 48 HG SER 48 -9.554 12.360 -6.658 365 H VAL 49 HN VAL 49 -8.865 8.160 -5.546 366 HA VAL 49 HA VAL 49 -7.377 8.327 -7.994 367 HB VAL 49 HB VAL 49 -5.984 6.432 -7.122 368 HG11 VAL 49 HG11 VAL 49 -6.346 8.769 -5.259 369 HG12 VAL 49 HG12 VAL 49 -5.337 8.720 -6.704 370 HG13 VAL 49 HG13 VAL 49 -4.933 7.711 -5.313 371 HG21 VAL 49 HG21 VAL 49 -6.242 5.744 -4.775 372 HG22 VAL 49 HG22 VAL 49 -7.655 5.302 -5.734 373 HG23 VAL 49 HG23 VAL 49 -7.719 6.703 -4.664 374 H ASN 50 HN ASN 50 -9.743 6.081 -6.654 375 HA ASN 50 HA ASN 50 -9.627 4.630 -9.189 376 HB2 ASN 50 HB2 ASN 50 -10.677 3.780 -6.493 377 HB3 ASN 50 HB1 ASN 50 -11.004 2.883 -7.967 378 HD21 ASN 50 HD21 ASN 50 -8.720 3.598 -5.517 379 HD22 ASN 50 HD22 ASN 50 -7.492 2.505 -6.063 380 H GLY 51 HN GLY 51 -11.018 5.370 -10.584 381 HA2 GLY 51 HA2 GLY 51 -13.418 6.735 -9.760 382 HA3 GLY 51 HA1 GLY 51 -12.854 6.488 -11.408 383 H GLY 52 HN GLY 52 -15.369 5.867 -9.570 384 HA2 GLY 52 HA2 GLY 52 -17.164 4.501 -9.982 385 HA3 GLY 52 HA1 GLY 52 -16.191 3.630 -11.163 386 H ASN 53 HN ASN 53 -14.720 2.073 -10.406 387 HA ASN 53 HA ASN 53 -15.753 0.661 -8.084 388 HB2 ASN 53 HB2 ASN 53 -13.821 -0.194 -10.251 389 HB3 ASN 53 HB1 ASN 53 -14.148 -1.165 -8.827 390 HD21 ASN 53 HD21 ASN 53 -14.574 -1.746 -11.623 391 HD22 ASN 53 HD22 ASN 53 -16.262 -2.081 -11.799 392 H ARG 54 HN ARG 54 -14.831 0.783 -6.207 393 HA ARG 54 HA ARG 54 -12.291 2.104 -5.903 394 HB2 ARG 54 HB2 ARG 54 -14.216 0.926 -3.906 395 HB3 ARG 54 HB1 ARG 54 -12.677 1.592 -3.430 396 HG2 ARG 54 HG2 ARG 54 -13.375 3.791 -4.308 397 HG3 ARG 54 HG1 ARG 54 -14.935 3.098 -4.760 398 HD2 ARG 54 HD2 ARG 54 -15.378 2.549 -2.415 399 HD3 ARG 54 HD1 ARG 54 -13.806 3.183 -1.955 400 HE ARG 54 HE ARG 54 -14.944 5.286 -3.159 401 HH11 ARG 54 HH11 ARG 54 -16.350 3.097 -0.766 402 HH12 ARG 54 HH12 ARG 54 -17.130 4.302 0.131 403 HH21 ARG 54 HH21 ARG 54 -16.005 6.999 -1.916 404 HH22 ARG 54 HH22 ARG 54 -16.898 6.622 -0.534 405 H THR 55 HN THR 55 -10.798 0.734 -6.825 406 HA THR 55 HA THR 55 -10.478 -1.988 -6.184 407 HB THR 55 HB THR 55 -8.273 -0.040 -6.887 408 HG1 THR 55 HG1 THR 55 -9.174 0.213 -8.748 409 HG21 THR 55 HG21 THR 55 -8.766 -2.953 -7.560 410 HG22 THR 55 HG22 THR 55 -7.611 -2.343 -6.373 411 HG23 THR 55 HG23 THR 55 -7.379 -2.000 -8.086 412 H VAL 56 HN VAL 56 -9.750 -2.822 -4.301 413 HA VAL 56 HA VAL 56 -9.328 -0.915 -2.254 414 HB VAL 56 HB VAL 56 -8.937 -3.850 -1.845 415 HG11 VAL 56 HG11 VAL 56 -9.300 -3.250 0.510 416 HG12 VAL 56 HG12 VAL 56 -9.547 -1.569 0.030 417 HG13 VAL 56 HG13 VAL 56 -7.966 -2.288 -0.158 418 HG21 VAL 56 HG21 VAL 56 -11.095 -3.352 -2.717 419 HG22 VAL 56 HG22 VAL 56 -11.215 -2.048 -1.497 420 HG23 VAL 56 HG23 VAL 56 -11.137 -3.761 -0.972 421 HA PRO 57 HA PRO 57 -5.554 -2.548 -1.469 422 HB2 PRO 57 HB2 PRO 57 -3.746 -4.163 -2.782 423 HB3 PRO 57 HB1 PRO 57 -5.040 -4.708 -1.716 424 HG2 PRO 57 HG2 PRO 57 -5.042 -4.545 -4.697 425 HG3 PRO 57 HG1 PRO 57 -5.787 -5.760 -3.645 426 HD2 PRO 57 HD2 PRO 57 -7.112 -3.652 -4.830 427 HD3 PRO 57 HD1 PRO 57 -7.662 -4.598 -3.437 428 H THR 58 HN THR 58 -5.420 -0.409 -2.315 429 HA THR 58 HA THR 58 -3.570 0.356 -4.401 430 HB THR 58 HB THR 58 -5.811 1.804 -2.927 431 HG1 THR 58 HG1 THR 58 -6.948 0.619 -4.301 432 HG21 THR 58 HG21 THR 58 -5.601 3.505 -4.680 433 HG22 THR 58 HG22 THR 58 -4.252 2.626 -5.383 434 HG23 THR 58 HG23 THR 58 -4.078 3.376 -3.782 435 H VAL 59 HN VAL 59 -1.863 1.700 -3.703 436 HA VAL 59 HA VAL 59 -1.631 2.107 -0.825 437 HB VAL 59 HB VAL 59 -0.511 -0.013 -1.227 438 HG11 VAL 59 HG11 VAL 59 0.997 1.407 -3.359 439 HG12 VAL 59 HG12 VAL 59 -0.165 0.092 -3.558 440 HG13 VAL 59 HG13 VAL 59 1.381 -0.206 -2.743 441 HG21 VAL 59 HG21 VAL 59 0.594 1.464 0.374 442 HG22 VAL 59 HG22 VAL 59 1.538 2.180 -0.933 443 HG23 VAL 59 HG23 VAL 59 1.771 0.485 -0.506 444 H LYS 60 HN LYS 60 -0.597 3.891 -0.254 445 HA LYS 60 HA LYS 60 0.346 5.669 -2.385 446 HB2 LYS 60 HB2 LYS 60 -1.447 6.599 -1.006 447 HB3 LYS 60 HB1 LYS 60 -0.538 6.247 0.455 448 HG2 LYS 60 HG2 LYS 60 1.234 7.801 -0.318 449 HG3 LYS 60 HG1 LYS 60 0.217 8.204 -1.698 450 HD2 LYS 60 HD2 LYS 60 -0.598 8.579 1.178 451 HD3 LYS 60 HD1 LYS 60 0.123 9.845 0.187 452 HE2 LYS 60 HE2 LYS 60 -1.769 9.591 -1.397 453 HE3 LYS 60 HE1 LYS 60 -2.499 8.430 -0.287 454 HZ1 LYS 60 HZ1 LYS 60 -1.912 11.275 0.289 455 HZ2 LYS 60 HZ2 LYS 60 -2.531 10.188 1.408 456 HZ3 LYS 60 HZ3 LYS 60 -3.439 10.624 0.077 457 H PHE 61 HN PHE 61 2.449 6.071 -2.493 458 HA PHE 61 HA PHE 61 4.141 5.317 -0.202 459 HB2 PHE 61 HB2 PHE 61 4.728 5.431 -3.147 460 HB3 PHE 61 HB1 PHE 61 5.995 5.396 -1.939 461 HD1 PHE 61 HD1 PHE 61 6.452 3.380 -0.685 462 HD2 PHE 61 HD2 PHE 61 3.417 3.536 -3.659 463 HE1 PHE 61 HE1 PHE 61 6.425 0.958 -0.760 464 HE2 PHE 61 HE2 PHE 61 3.383 1.084 -3.762 465 HZ PHE 61 HZ PHE 61 4.866 -0.221 -2.335 466 H ALA 62 HN ALA 62 6.019 6.606 0.086 467 HA ALA 62 HA ALA 62 5.714 9.419 -0.087 468 HB1 ALA 62 HB1 ALA 62 7.070 8.332 1.660 469 HB2 ALA 62 HB2 ALA 62 8.020 9.508 0.751 470 HB3 ALA 62 HB3 ALA 62 8.212 7.787 0.429 471 H ASP 63 HN ASP 63 6.479 7.137 -2.261 472 HA ASP 63 HA ASP 63 8.392 8.209 -4.039 473 HB2 ASP 63 HB2 ASP 63 7.697 5.848 -4.029 474 HB3 ASP 63 HB1 ASP 63 6.080 6.311 -4.507 475 H GLY 64 HN GLY 64 5.111 9.096 -3.434 476 HA2 GLY 64 HA2 GLY 64 4.325 11.221 -4.082 477 HA3 GLY 64 HA1 GLY 64 5.398 11.171 -5.466 478 H SER 65 HN SER 65 3.732 8.266 -5.116 479 HA SER 65 HA SER 65 1.415 9.139 -6.549 480 HB2 SER 65 HB2 SER 65 3.228 8.834 -8.293 481 HB3 SER 65 HB1 SER 65 3.294 7.134 -7.833 482 HG SER 65 HG SER 65 1.194 8.587 -9.013 483 H THR 66 HN THR 66 0.144 7.004 -7.121 484 HA THR 66 HA THR 66 0.278 5.296 -4.748 485 HB THR 66 HB THR 66 -2.193 4.950 -5.187 486 HG1 THR 66 HG1 THR 66 -2.132 7.366 -6.637 487 HG21 THR 66 HG21 THR 66 -2.893 7.081 -4.156 488 HG22 THR 66 HG22 THR 66 -1.314 7.771 -4.529 489 HG23 THR 66 HG23 THR 66 -1.444 6.436 -3.384 490 H LEU 67 HN LEU 67 0.209 3.150 -5.086 491 HA LEU 67 HA LEU 67 0.159 2.268 -7.874 492 HB2 LEU 67 HB2 LEU 67 1.537 1.085 -5.461 493 HB3 LEU 67 HB1 LEU 67 1.202 0.113 -6.873 494 HG LEU 67 HG LEU 67 2.549 1.737 -8.208 495 HD11 LEU 67 HD11 LEU 67 3.417 2.849 -5.565 496 HD12 LEU 67 HD12 LEU 67 2.487 3.671 -6.810 497 HD13 LEU 67 HD13 LEU 67 4.148 3.183 -7.134 498 HD21 LEU 67 HD21 LEU 67 4.735 0.888 -7.402 499 HD22 LEU 67 HD22 LEU 67 3.511 -0.330 -7.684 500 HD23 LEU 67 HD23 LEU 67 3.896 0.149 -6.035 501 H THR 68 HN THR 68 -0.987 0.324 -8.355 502 HA THR 68 HA THR 68 -3.104 -0.263 -6.429 503 HB THR 68 HB THR 68 -3.520 0.146 -9.410 504 HG1 THR 68 HG1 THR 68 -3.408 1.870 -7.266 505 HG21 THR 68 HG21 THR 68 -5.884 0.209 -8.788 506 HG22 THR 68 HG22 THR 68 -5.461 0.019 -7.089 507 HG23 THR 68 HG23 THR 68 -5.161 -1.297 -8.220 508 H ASN 69 HN ASN 69 -2.927 -2.359 -6.000 509 HA ASN 69 HA ASN 69 -2.459 -4.571 -6.112 510 HB2 ASN 69 HB2 ASN 69 -3.144 -4.150 -9.026 511 HB3 ASN 69 HB1 ASN 69 -2.765 -5.731 -8.362 512 HD21 ASN 69 HD21 ASN 69 -4.246 -6.729 -7.026 513 HD22 ASN 69 HD22 ASN 69 -5.881 -6.191 -6.924 514 HA PRO 70 HA PRO 70 1.824 -3.885 -8.138 515 HB2 PRO 70 HB2 PRO 70 3.341 -3.032 -6.130 516 HB3 PRO 70 HB1 PRO 70 2.320 -1.890 -7.018 517 HG2 PRO 70 HG2 PRO 70 1.758 -3.290 -4.432 518 HG3 PRO 70 HG1 PRO 70 1.644 -1.544 -4.775 519 HD2 PRO 70 HD2 PRO 70 -0.534 -3.138 -4.830 520 HD3 PRO 70 HD1 PRO 70 -0.331 -1.799 -5.970 521 H SER 71 HN SER 71 3.661 -5.293 -7.767 522 HA SER 71 HA SER 71 2.942 -7.588 -6.182 523 HB2 SER 71 HB2 SER 71 5.399 -7.078 -7.873 524 HB3 SER 71 HB1 SER 71 4.845 -8.639 -7.258 525 HG SER 71 HG SER 71 2.910 -7.317 -8.605 526 H ALA 72 HN ALA 72 4.415 -8.493 -4.617 527 HA ALA 72 HA ALA 72 5.100 -6.767 -2.567 528 HB1 ALA 72 HB1 ALA 72 4.647 -9.152 -2.266 529 HB2 ALA 72 HB2 ALA 72 6.171 -8.682 -1.510 530 HB3 ALA 72 HB3 ALA 72 6.177 -9.537 -3.052 531 H ASP 73 HN ASP 73 7.193 -8.203 -5.007 532 HA ASP 73 HA ASP 73 9.645 -7.256 -4.034 533 HB2 ASP 73 HB2 ASP 73 9.596 -8.974 -5.739 534 HB3 ASP 73 HB1 ASP 73 8.832 -7.870 -6.879 535 H GLU 74 HN GLU 74 7.298 -5.761 -6.169 536 HA GLU 74 HA GLU 74 8.878 -3.528 -6.936 537 HB2 GLU 74 HB2 GLU 74 5.885 -3.779 -6.778 538 HB3 GLU 74 HB1 GLU 74 6.770 -2.535 -7.646 539 HG2 GLU 74 HG2 GLU 74 7.708 -4.231 -9.110 540 HG3 GLU 74 HG1 GLU 74 6.811 -5.476 -8.239 541 H VAL 75 HN VAL 75 6.525 -4.125 -4.431 542 HA VAL 75 HA VAL 75 6.419 -1.562 -3.306 543 HB VAL 75 HB VAL 75 6.047 -4.271 -1.984 544 HG11 VAL 75 HG11 VAL 75 4.819 -3.088 -0.227 545 HG12 VAL 75 HG12 VAL 75 5.226 -1.546 -0.975 546 HG13 VAL 75 HG13 VAL 75 6.498 -2.558 -0.301 547 HG21 VAL 75 HG21 VAL 75 4.487 -3.871 -3.805 548 HG22 VAL 75 HG22 VAL 75 4.041 -2.316 -3.102 549 HG23 VAL 75 HG23 VAL 75 3.648 -3.812 -2.254 550 H LYS 76 HN LYS 76 8.485 -4.327 -2.670 551 HA LYS 76 HA LYS 76 9.916 -3.142 -0.541 552 HB2 LYS 76 HB2 LYS 76 9.721 -5.624 -1.105 553 HB3 LYS 76 HB1 LYS 76 10.912 -5.337 -2.353 554 HG2 LYS 76 HG2 LYS 76 11.936 -6.271 -0.362 555 HG3 LYS 76 HG1 LYS 76 12.534 -4.636 -0.653 556 HD2 LYS 76 HD2 LYS 76 11.103 -3.748 1.064 557 HD3 LYS 76 HD1 LYS 76 10.285 -5.303 1.243 558 HE2 LYS 76 HE2 LYS 76 13.207 -4.834 1.819 559 HE3 LYS 76 HE1 LYS 76 11.935 -4.775 3.034 560 HZ1 LYS 76 HZ1 LYS 76 13.072 -6.912 2.968 561 HZ2 LYS 76 HZ2 LYS 76 12.601 -7.162 1.381 562 HZ3 LYS 76 HZ3 LYS 76 11.440 -7.107 2.610 563 H ALA 77 HN ALA 77 10.509 -3.376 -4.027 564 HA ALA 77 HA ALA 77 13.079 -2.199 -4.027 565 HB1 ALA 77 HB1 ALA 77 11.031 -2.266 -6.245 566 HB2 ALA 77 HB2 ALA 77 12.208 -3.533 -5.901 567 HB3 ALA 77 HB3 ALA 77 12.754 -1.941 -6.433 568 H LYS 78 HN LYS 78 9.834 -0.819 -4.397 569 HA LYS 78 HA LYS 78 10.812 1.852 -4.696 570 HB2 LYS 78 HB2 LYS 78 8.107 0.733 -4.014 571 HB3 LYS 78 HB1 LYS 78 8.425 2.450 -3.859 572 HG2 LYS 78 HG2 LYS 78 8.689 0.843 -6.401 573 HG3 LYS 78 HG1 LYS 78 7.345 1.913 -5.979 574 HD2 LYS 78 HD2 LYS 78 8.973 3.805 -5.829 575 HD3 LYS 78 HD1 LYS 78 10.224 2.699 -6.391 576 HE2 LYS 78 HE2 LYS 78 9.457 4.022 -8.241 577 HE3 LYS 78 HE1 LYS 78 8.950 2.351 -8.465 578 HZ1 LYS 78 HZ1 LYS 78 7.186 4.558 -7.471 579 HZ2 LYS 78 HZ2 LYS 78 6.723 2.943 -7.809 580 HZ3 LYS 78 HZ3 LYS 78 7.228 3.940 -9.028 581 H LEU 79 HN LEU 79 9.896 -0.091 -1.936 582 HA LEU 79 HA LEU 79 9.924 1.953 -0.101 583 HB2 LEU 79 HB2 LEU 79 9.132 -0.482 0.337 584 HB3 LEU 79 HB1 LEU 79 10.807 -0.860 0.432 585 HG LEU 79 HG LEU 79 11.119 0.503 2.367 586 HD11 LEU 79 HD11 LEU 79 8.226 1.223 2.079 587 HD12 LEU 79 HD12 LEU 79 9.640 2.293 2.334 588 HD13 LEU 79 HD13 LEU 79 9.068 1.254 3.610 589 HD21 LEU 79 HD21 LEU 79 10.545 -1.825 2.693 590 HD22 LEU 79 HD22 LEU 79 8.827 -1.410 2.629 591 HD23 LEU 79 HD23 LEU 79 9.823 -0.827 3.960 592 H VAL 80 HN VAL 80 12.521 -0.269 -1.047 593 HA VAL 80 HA VAL 80 14.427 0.751 0.729 594 HB VAL 80 HB VAL 80 16.138 -0.421 -0.585 595 HG11 VAL 80 HG11 VAL 80 15.241 -2.677 -0.435 596 HG12 VAL 80 HG12 VAL 80 13.622 -2.010 -0.224 597 HG13 VAL 80 HG13 VAL 80 14.865 -1.708 0.990 598 HG21 VAL 80 HG21 VAL 80 15.465 0.026 -2.822 599 HG22 VAL 80 HG22 VAL 80 13.926 -0.767 -2.550 600 HG23 VAL 80 HG23 VAL 80 15.418 -1.734 -2.592 601 H LYS 81 HN LYS 81 13.503 1.890 -2.431 602 HA LYS 81 HA LYS 81 15.825 3.577 -2.539 603 HB2 LYS 81 HB2 LYS 81 15.011 4.444 -4.671 604 HB3 LYS 81 HB1 LYS 81 14.900 2.692 -4.636 605 HG2 LYS 81 HG2 LYS 81 12.544 2.805 -4.264 606 HG3 LYS 81 HG1 LYS 81 12.616 4.559 -4.169 607 HD2 LYS 81 HD2 LYS 81 11.810 4.079 -6.355 608 HD3 LYS 81 HD1 LYS 81 13.486 4.539 -6.541 609 HE2 LYS 81 HE2 LYS 81 12.629 1.650 -6.387 610 HE3 LYS 81 HE1 LYS 81 12.663 2.536 -7.902 611 HZ1 LYS 81 HZ1 LYS 81 15.054 2.904 -7.536 612 HZ2 LYS 81 HZ2 LYS 81 14.645 1.301 -7.677 613 HZ3 LYS 81 HZ3 LYS 81 15.024 1.906 -6.167 614 H ILE 82 HN ILE 82 12.373 4.079 -1.829 615 HA ILE 82 HA ILE 82 12.930 6.877 -1.562 616 HB ILE 82 HB ILE 82 10.517 7.222 -1.012 617 HG12 ILE 82 HG12 ILE 82 8.918 5.321 -1.577 618 HG13 ILE 82 HG11 ILE 82 10.287 4.232 -1.491 619 HG21 ILE 82 HG21 ILE 82 11.037 5.673 -3.529 620 HG22 ILE 82 HG22 ILE 82 11.326 7.399 -3.281 621 HG23 ILE 82 HG23 ILE 82 9.683 6.758 -3.243 622 HD11 ILE 82 HD11 ILE 82 10.555 4.776 0.865 623 HD12 ILE 82 HD12 ILE 82 8.937 4.157 0.517 624 HD13 ILE 82 HD13 ILE 82 9.189 5.884 0.766 625 H ALA 83 HN ALA 83 12.946 4.245 0.572 626 HA ALA 83 HA ALA 83 12.702 6.048 2.843 627 HB1 ALA 83 HB1 ALA 83 12.530 4.036 4.221 628 HB2 ALA 83 HB2 ALA 83 12.803 3.036 2.795 629 HB3 ALA 83 HB3 ALA 83 11.348 4.023 2.915 630 H GLY 84 HN GLY 84 15.052 5.130 0.882 631 HA2 GLY 84 HA2 GLY 84 17.275 5.789 1.101 632 HA3 GLY 84 HA1 GLY 84 17.024 5.963 2.822 633 H LEU 85 HN LEU 85 19.264 5.037 2.372 634 HA LEU 85 HA LEU 85 19.728 2.339 1.704 635 HB2 LEU 85 HB2 LEU 85 21.437 4.106 1.700 636 HB3 LEU 85 HB1 LEU 85 21.301 4.241 3.437 637 HG LEU 85 HG LEU 85 22.152 1.896 3.620 638 HD11 LEU 85 HD11 LEU 85 21.576 1.090 1.426 639 HD12 LEU 85 HD12 LEU 85 23.314 0.938 1.699 640 HD13 LEU 85 HD13 LEU 85 22.692 2.236 0.683 641 HD21 LEU 85 HD21 LEU 85 24.480 2.492 3.167 642 HD22 LEU 85 HD22 LEU 85 23.615 3.800 3.971 643 HD23 LEU 85 HD23 LEU 85 23.940 3.890 2.239 644 H GLU 86 HN GLU 86 18.693 3.907 4.546 645 HA GLU 86 HA GLU 86 19.539 2.112 6.545 646 HB2 GLU 86 HB2 GLU 86 17.206 4.009 6.616 647 HB3 GLU 86 HB1 GLU 86 18.057 3.333 7.996 648 HG2 GLU 86 HG2 GLU 86 20.100 4.518 7.252 649 HG3 GLU 86 HG1 GLU 86 19.155 5.253 5.964 650 H HIS 87 HN HIS 87 16.817 2.077 4.377 651 HA HIS 87 HA HIS 87 15.590 0.034 6.035 652 HB2 HIS 87 HB2 HIS 87 14.407 1.771 3.879 653 HB3 HIS 87 HB1 HIS 87 13.554 0.391 4.563 654 HD1 HIS 87 HD1 HIS 87 14.466 3.957 5.342 655 HD2 HIS 87 HD2 HIS 87 12.797 0.668 7.285 656 HE1 HIS 87 HE1 HIS 87 13.451 4.833 7.463 657 H HIS 88 HN HIS 88 15.982 -1.931 5.614 658 HA HIS 88 HA HIS 88 15.968 -3.021 3.014 659 HB2 HIS 88 HB2 HIS 88 18.267 -3.995 3.181 660 HB3 HIS 88 HB1 HIS 88 18.301 -2.253 3.020 661 HD1 HIS 88 HD1 HIS 88 19.790 -4.906 4.926 662 HD2 HIS 88 HD2 HIS 88 18.719 -0.968 5.679 663 HE1 HIS 88 HE1 HIS 88 21.148 -4.178 6.938 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 8.904 5.170 14.929 2 H2 MET 1 HT2 MET 1 9.839 6.378 14.283 3 H3 MET 1 HT3 MET 1 10.501 5.387 15.454 4 HA MET 1 HA MET 1 11.296 4.800 13.232 5 HB2 MET 1 HB2 MET 1 9.189 2.789 14.124 6 HB3 MET 1 HB1 MET 1 10.551 2.467 13.074 7 HG2 MET 1 HG2 MET 1 12.090 2.870 14.906 8 HG3 MET 1 HG1 MET 1 10.734 3.268 15.958 9 HE1 MET 1 HE1 MET 1 12.548 0.432 13.936 10 HE2 MET 1 HE2 MET 1 10.926 0.362 13.247 11 HE3 MET 1 HE3 MET 1 11.518 -0.962 14.251 12 H VAL 2 HN VAL 2 10.732 4.361 11.020 13 HA VAL 2 HA VAL 2 8.359 5.763 10.243 14 HB VAL 2 HB VAL 2 10.289 4.210 8.486 15 HG11 VAL 2 HG11 VAL 2 9.437 5.616 6.664 16 HG12 VAL 2 HG12 VAL 2 8.295 6.362 7.779 17 HG13 VAL 2 HG13 VAL 2 8.159 4.647 7.395 18 HG21 VAL 2 HG21 VAL 2 11.356 6.371 8.006 19 HG22 VAL 2 HG22 VAL 2 11.483 5.945 9.714 20 HG23 VAL 2 HG23 VAL 2 10.304 7.148 9.190 21 H THR 3 HN THR 3 6.604 4.660 10.842 22 HA THR 3 HA THR 3 6.321 1.840 10.353 23 HB THR 3 HB THR 3 4.241 3.853 11.273 24 HG1 THR 3 HG1 THR 3 4.832 3.386 13.313 25 HG21 THR 3 HG21 THR 3 3.301 1.714 10.488 26 HG22 THR 3 HG22 THR 3 3.116 1.883 12.235 27 HG23 THR 3 HG23 THR 3 4.375 0.838 11.578 28 H ALA 4 HN ALA 4 4.933 4.881 9.133 29 HA ALA 4 HA ALA 4 3.636 3.331 7.053 30 HB1 ALA 4 HB1 ALA 4 2.252 5.265 6.604 31 HB2 ALA 4 HB2 ALA 4 3.173 6.222 7.761 32 HB3 ALA 4 HB3 ALA 4 2.189 4.867 8.322 33 H ALA 5 HN ALA 5 5.700 2.957 6.143 34 HA ALA 5 HA ALA 5 6.873 5.121 4.624 35 HB1 ALA 5 HB1 ALA 5 8.286 3.280 5.374 36 HB2 ALA 5 HB2 ALA 5 8.236 3.293 3.608 37 HB3 ALA 5 HB3 ALA 5 7.270 2.121 4.521 38 H LEU 6 HN LEU 6 4.487 2.723 4.387 39 HA LEU 6 HA LEU 6 3.480 3.895 1.986 40 HB2 LEU 6 HB2 LEU 6 2.786 1.597 1.169 41 HB3 LEU 6 HB1 LEU 6 4.452 2.025 0.921 42 HG LEU 6 HG LEU 6 3.665 0.369 3.284 43 HD11 LEU 6 HD11 LEU 6 4.047 -1.634 1.907 44 HD12 LEU 6 HD12 LEU 6 4.250 -0.613 0.481 45 HD13 LEU 6 HD13 LEU 6 2.683 -0.706 1.284 46 HD21 LEU 6 HD21 LEU 6 5.918 -0.518 2.997 47 HD22 LEU 6 HD22 LEU 6 5.934 1.240 3.155 48 HD23 LEU 6 HD23 LEU 6 6.132 0.494 1.566 49 H THR 7 HN THR 7 1.454 4.221 2.103 50 HA THR 7 HA THR 7 -0.023 3.243 4.412 51 HB THR 7 HB THR 7 -0.603 5.527 2.490 52 HG1 THR 7 HG1 THR 7 0.509 5.635 5.108 53 HG21 THR 7 HG21 THR 7 -1.681 4.887 5.244 54 HG22 THR 7 HG22 THR 7 -2.556 4.711 3.718 55 HG23 THR 7 HG23 THR 7 -2.085 6.312 4.285 56 H ILE 8 HN ILE 8 -1.411 1.629 3.969 57 HA ILE 8 HA ILE 8 -2.157 1.149 1.173 58 HB ILE 8 HB ILE 8 -1.825 -0.797 3.461 59 HG12 ILE 8 HG12 ILE 8 -0.344 -0.493 0.846 60 HG13 ILE 8 HG11 ILE 8 0.264 -0.055 2.438 61 HG21 ILE 8 HG21 ILE 8 -2.391 -2.585 1.863 62 HG22 ILE 8 HG22 ILE 8 -2.791 -1.367 0.645 63 HG23 ILE 8 HG23 ILE 8 -3.729 -1.467 2.141 64 HD11 ILE 8 HD11 ILE 8 0.182 -2.384 3.113 65 HD12 ILE 8 HD12 ILE 8 1.172 -2.171 1.668 66 HD13 ILE 8 HD13 ILE 8 -0.464 -2.821 1.530 67 H TYR 9 HN TYR 9 -4.187 1.076 0.657 68 HA TYR 9 HA TYR 9 -6.141 1.620 2.687 69 HB2 TYR 9 HB2 TYR 9 -6.346 1.447 -0.324 70 HB3 TYR 9 HB1 TYR 9 -7.690 1.885 0.721 71 HD1 TYR 9 HD1 TYR 9 -4.435 2.984 -0.620 72 HD2 TYR 9 HD2 TYR 9 -7.783 4.085 1.755 73 HE1 TYR 9 HE1 TYR 9 -3.683 5.312 -0.657 74 HE2 TYR 9 HE2 TYR 9 -7.035 6.429 1.722 75 HH TYR 9 HH TYR 9 -4.935 7.667 1.417 76 H THR 10 HN THR 10 -7.494 0.145 3.604 77 HA THR 10 HA THR 10 -7.723 -2.469 2.335 78 HB THR 10 HB THR 10 -7.629 -3.463 4.638 79 HG1 THR 10 HG1 THR 10 -6.635 -2.218 6.259 80 HG21 THR 10 HG21 THR 10 -5.171 -3.458 4.796 81 HG22 THR 10 HG22 THR 10 -5.112 -2.063 3.717 82 HG23 THR 10 HG23 THR 10 -5.699 -3.614 3.116 83 H THR 11 HN THR 11 -9.567 -3.712 3.180 84 HA THR 11 HA THR 11 -11.563 -2.321 4.717 85 HB THR 11 HB THR 11 -12.213 -3.561 1.952 86 HG1 THR 11 HG1 THR 11 -11.259 -1.137 2.648 87 HG21 THR 11 HG21 THR 11 -13.856 -1.876 3.853 88 HG22 THR 11 HG22 THR 11 -14.029 -3.620 3.627 89 HG23 THR 11 HG23 THR 11 -14.363 -2.510 2.285 90 H SER 12 HN SER 12 -12.925 -3.961 5.799 91 HA SER 12 HA SER 12 -11.785 -6.460 6.252 92 HB2 SER 12 HB2 SER 12 -14.252 -6.993 7.054 93 HB3 SER 12 HB1 SER 12 -13.275 -5.812 7.929 94 HG SER 12 HG SER 12 -14.308 -4.197 6.999 95 H TRP 13 HN TRP 13 -14.404 -5.561 4.076 96 HA TRP 13 HA TRP 13 -14.270 -8.057 2.587 97 HB2 TRP 13 HB2 TRP 13 -16.334 -7.222 1.946 98 HB3 TRP 13 HB1 TRP 13 -15.997 -5.664 2.663 99 HD1 TRP 13 HD1 TRP 13 -14.730 -7.485 -0.456 100 HE1 TRP 13 HE1 TRP 13 -14.632 -5.918 -2.294 101 HE3 TRP 13 HE3 TRP 13 -16.775 -3.476 1.926 102 HZ2 TRP 13 HZ2 TRP 13 -15.466 -3.179 -2.869 103 HZ3 TRP 13 HZ3 TRP 13 -17.124 -1.406 0.638 104 HH2 TRP 13 HH2 TRP 13 -16.489 -1.265 -1.714 105 H CYS 14 HN CYS 14 -12.377 -8.567 2.262 106 HA CYS 14 HA CYS 14 -11.142 -7.485 -0.048 107 HB2 CYS 14 HB2 CYS 14 -10.033 -6.807 2.598 108 HB3 CYS 14 HB1 CYS 14 -8.883 -7.425 1.417 109 H GLY 15 HN GLY 15 -10.728 -9.231 -1.088 110 HA2 GLY 15 HA2 GLY 15 -9.539 -11.508 0.317 111 HA3 GLY 15 HA1 GLY 15 -10.313 -11.579 -1.269 112 H TYR 16 HN TYR 16 -9.296 -9.724 -2.747 113 HA TYR 16 HA TYR 16 -6.670 -10.650 -3.161 114 HB2 TYR 16 HB2 TYR 16 -6.619 -8.921 -5.069 115 HB3 TYR 16 HB1 TYR 16 -7.735 -10.263 -5.187 116 HD1 TYR 16 HD1 TYR 16 -7.697 -6.698 -3.979 117 HD2 TYR 16 HD2 TYR 16 -9.869 -9.800 -5.910 118 HE1 TYR 16 HE1 TYR 16 -9.561 -5.111 -4.499 119 HE2 TYR 16 HE2 TYR 16 -11.693 -8.219 -6.406 120 HH TYR 16 HH TYR 16 -12.560 -6.045 -5.411 121 H CYS 17 HN CYS 17 -7.830 -7.995 -1.386 122 HA CYS 17 HA CYS 17 -5.439 -6.425 -1.450 123 HB2 CYS 17 HB2 CYS 17 -7.168 -6.555 0.990 124 HB3 CYS 17 HB1 CYS 17 -6.339 -5.189 0.306 125 H LEU 18 HN LEU 18 -6.628 -9.170 0.366 126 HA LEU 18 HA LEU 18 -4.793 -8.969 2.517 127 HB2 LEU 18 HB2 LEU 18 -7.087 -10.005 2.526 128 HB3 LEU 18 HB1 LEU 18 -6.374 -11.368 1.685 129 HG LEU 18 HG LEU 18 -4.899 -11.797 3.593 130 HD11 LEU 18 HD11 LEU 18 -6.331 -9.442 4.832 131 HD12 LEU 18 HD12 LEU 18 -4.608 -9.536 4.438 132 HD13 LEU 18 HD13 LEU 18 -5.283 -10.561 5.693 133 HD21 LEU 18 HD21 LEU 18 -6.618 -12.494 5.156 134 HD22 LEU 18 HD22 LEU 18 -7.095 -12.817 3.476 135 HD23 LEU 18 HD23 LEU 18 -7.760 -11.419 4.337 136 H ARG 19 HN ARG 19 -4.911 -10.521 -0.551 137 HA ARG 19 HA ARG 19 -2.856 -12.410 -0.376 138 HB2 ARG 19 HB2 ARG 19 -3.722 -10.713 -2.720 139 HB3 ARG 19 HB1 ARG 19 -2.683 -12.121 -2.838 140 HG2 ARG 19 HG2 ARG 19 -5.471 -12.260 -1.713 141 HG3 ARG 19 HG1 ARG 19 -5.133 -12.433 -3.432 142 HD2 ARG 19 HD2 ARG 19 -5.335 -14.608 -2.384 143 HD3 ARG 19 HD1 ARG 19 -3.692 -14.351 -2.948 144 HE ARG 19 HE ARG 19 -4.403 -13.919 -0.131 145 HH11 ARG 19 HH11 ARG 19 -2.485 -15.635 -2.553 146 HH12 ARG 19 HH12 ARG 19 -1.502 -16.437 -1.429 147 HH21 ARG 19 HH21 ARG 19 -3.074 -15.030 1.427 148 HH22 ARG 19 HH22 ARG 19 -1.842 -16.099 0.918 149 H LEU 20 HN LEU 20 -2.761 -8.974 -1.036 150 HA LEU 20 HA LEU 20 0.064 -8.955 -1.454 151 HB2 LEU 20 HB2 LEU 20 -1.289 -7.335 -2.628 152 HB3 LEU 20 HB1 LEU 20 -1.972 -6.754 -1.129 153 HG LEU 20 HG LEU 20 0.425 -5.995 -0.574 154 HD11 LEU 20 HD11 LEU 20 0.745 -6.400 -3.538 155 HD12 LEU 20 HD12 LEU 20 1.826 -6.968 -2.237 156 HD13 LEU 20 HD13 LEU 20 1.687 -5.275 -2.597 157 HD21 LEU 20 HD21 LEU 20 -1.375 -4.465 -0.942 158 HD22 LEU 20 HD22 LEU 20 -1.257 -4.674 -2.680 159 HD23 LEU 20 HD23 LEU 20 0.052 -3.867 -1.800 160 H LYS 21 HN LYS 21 -2.209 -8.083 1.043 161 HA LYS 21 HA LYS 21 -0.546 -6.752 2.822 162 HB2 LYS 21 HB2 LYS 21 -3.046 -6.797 2.847 163 HB3 LYS 21 HB1 LYS 21 -2.962 -8.424 3.507 164 HG2 LYS 21 HG2 LYS 21 -1.868 -7.603 5.489 165 HG3 LYS 21 HG1 LYS 21 -1.824 -5.974 4.822 166 HD2 LYS 21 HD2 LYS 21 -4.291 -5.961 4.774 167 HD3 LYS 21 HD1 LYS 21 -4.299 -7.555 5.527 168 HE2 LYS 21 HE2 LYS 21 -3.040 -6.622 7.451 169 HE3 LYS 21 HE1 LYS 21 -3.128 -5.030 6.707 170 HZ1 LYS 21 HZ1 LYS 21 -5.588 -5.237 6.832 171 HZ2 LYS 21 HZ2 LYS 21 -4.829 -5.148 8.296 172 HZ3 LYS 21 HZ3 LYS 21 -5.388 -6.660 7.720 173 H THR 22 HN THR 22 -1.374 -10.227 2.718 174 HA THR 22 HA THR 22 0.211 -10.914 4.944 175 HB THR 22 HB THR 22 -1.576 -12.425 4.142 176 HG1 THR 22 HG1 THR 22 -0.081 -14.380 3.842 177 HG21 THR 22 HG21 THR 22 -1.332 -12.078 1.727 178 HG22 THR 22 HG22 THR 22 -1.300 -13.793 2.122 179 HG23 THR 22 HG23 THR 22 0.203 -12.943 1.752 180 H ALA 23 HN ALA 23 0.915 -10.593 1.529 181 HA ALA 23 HA ALA 23 3.446 -11.864 1.485 182 HB1 ALA 23 HB1 ALA 23 2.115 -11.409 -0.541 183 HB2 ALA 23 HB2 ALA 23 3.747 -10.750 -0.657 184 HB3 ALA 23 HB3 ALA 23 2.385 -9.682 -0.307 185 H LEU 24 HN LEU 24 2.500 -8.506 1.899 186 HA LEU 24 HA LEU 24 5.157 -7.537 2.036 187 HB2 LEU 24 HB2 LEU 24 2.644 -6.328 3.143 188 HB3 LEU 24 HB1 LEU 24 4.161 -5.482 2.929 189 HG LEU 24 HG LEU 24 2.374 -6.574 0.762 190 HD11 LEU 24 HD11 LEU 24 3.115 -3.765 1.515 191 HD12 LEU 24 HD12 LEU 24 1.579 -4.563 1.836 192 HD13 LEU 24 HD13 LEU 24 2.069 -4.246 0.175 193 HD21 LEU 24 HD21 LEU 24 4.714 -6.810 0.099 194 HD22 LEU 24 HD22 LEU 24 5.007 -5.119 0.512 195 HD23 LEU 24 HD23 LEU 24 3.928 -5.529 -0.820 196 H THR 25 HN THR 25 2.901 -8.637 4.487 197 HA THR 25 HA THR 25 4.462 -7.832 6.692 198 HB THR 25 HB THR 25 2.422 -10.074 6.562 199 HG1 THR 25 HG1 THR 25 1.294 -8.341 5.927 200 HG21 THR 25 HG21 THR 25 3.331 -8.311 8.861 201 HG22 THR 25 HG22 THR 25 3.769 -10.002 8.649 202 HG23 THR 25 HG23 THR 25 2.086 -9.557 8.946 203 H ALA 26 HN ALA 26 4.233 -10.902 4.900 204 HA ALA 26 HA ALA 26 6.142 -12.282 6.447 205 HB1 ALA 26 HB1 ALA 26 5.360 -12.737 3.564 206 HB2 ALA 26 HB2 ALA 26 4.529 -13.410 4.966 207 HB3 ALA 26 HB3 ALA 26 6.191 -13.890 4.611 208 H ASN 27 HN ASN 27 6.424 -9.941 3.990 209 HA ASN 27 HA ASN 27 9.243 -10.512 3.530 210 HB2 ASN 27 HB2 ASN 27 7.192 -8.893 2.193 211 HB3 ASN 27 HB1 ASN 27 8.875 -8.356 1.981 212 HD21 ASN 27 HD21 ASN 27 6.476 -10.714 1.289 213 HD22 ASN 27 HD22 ASN 27 7.355 -11.618 0.113 214 H ARG 28 HN ARG 28 7.697 -9.063 5.902 215 HA ARG 28 HA ARG 28 8.284 -7.678 7.582 216 HB2 ARG 28 HB2 ARG 28 10.991 -7.830 6.260 217 HB3 ARG 28 HB1 ARG 28 10.711 -7.040 7.805 218 HG2 ARG 28 HG2 ARG 28 9.994 -9.144 8.769 219 HG3 ARG 28 HG1 ARG 28 10.195 -9.948 7.208 220 HD2 ARG 28 HD2 ARG 28 12.362 -8.563 8.747 221 HD3 ARG 28 HD1 ARG 28 12.103 -10.312 8.737 222 HE ARG 28 HE ARG 28 12.333 -9.837 6.166 223 HH11 ARG 28 HH11 ARG 28 14.324 -8.589 8.811 224 HH12 ARG 28 HH12 ARG 28 15.738 -8.516 7.879 225 HH21 ARG 28 HH21 ARG 28 14.288 -9.751 4.902 226 HH22 ARG 28 HH22 ARG 28 15.719 -9.152 5.620 227 H ILE 29 HN ILE 29 7.327 -6.600 5.006 228 HA ILE 29 HA ILE 29 8.550 -4.002 4.903 229 HB ILE 29 HB ILE 29 6.243 -5.190 3.320 230 HG12 ILE 29 HG12 ILE 29 9.102 -4.568 2.488 231 HG13 ILE 29 HG11 ILE 29 8.481 -6.173 2.839 232 HG21 ILE 29 HG21 ILE 29 6.427 -3.202 1.867 233 HG22 ILE 29 HG22 ILE 29 7.633 -2.527 2.965 234 HG23 ILE 29 HG23 ILE 29 5.978 -2.770 3.519 235 HD11 ILE 29 HD11 ILE 29 6.976 -5.995 0.930 236 HD12 ILE 29 HD12 ILE 29 8.657 -5.763 0.457 237 HD13 ILE 29 HD13 ILE 29 7.582 -4.372 0.605 238 H ALA 30 HN ALA 30 7.879 -2.403 6.131 239 HA ALA 30 HA ALA 30 5.548 -2.738 7.803 240 HB1 ALA 30 HB1 ALA 30 7.636 -1.904 8.774 241 HB2 ALA 30 HB2 ALA 30 6.332 -0.721 8.940 242 HB3 ALA 30 HB3 ALA 30 7.569 -0.507 7.701 243 H TYR 31 HN TYR 31 3.669 -1.835 7.488 244 HA TYR 31 HA TYR 31 3.384 0.465 5.740 245 HB2 TYR 31 HB2 TYR 31 1.527 -0.629 4.505 246 HB3 TYR 31 HB1 TYR 31 3.054 -1.460 4.242 247 HD1 TYR 31 HD1 TYR 31 -0.228 -1.669 5.919 248 HD2 TYR 31 HD2 TYR 31 3.376 -3.720 4.979 249 HE1 TYR 31 HE1 TYR 31 -1.239 -3.779 6.658 250 HE2 TYR 31 HE2 TYR 31 2.370 -5.831 5.724 251 HH TYR 31 HH TYR 31 0.640 -6.686 7.007 252 H ASP 32 HN ASP 32 1.110 1.272 5.920 253 HA ASP 32 HA ASP 32 -0.116 0.551 8.493 254 HB2 ASP 32 HB2 ASP 32 1.185 2.705 8.611 255 HB3 ASP 32 HB1 ASP 32 0.115 3.353 7.375 256 H GLU 33 HN GLU 33 -2.357 0.367 8.372 257 HA GLU 33 HA GLU 33 -3.383 0.663 5.656 258 HB2 GLU 33 HB2 GLU 33 -5.109 -0.971 6.222 259 HB3 GLU 33 HB1 GLU 33 -3.499 -1.607 6.485 260 HG2 GLU 33 HG2 GLU 33 -3.780 -1.205 8.902 261 HG3 GLU 33 HG1 GLU 33 -5.428 -0.657 8.583 262 H VAL 34 HN VAL 34 -5.293 1.639 5.216 263 HA VAL 34 HA VAL 34 -5.722 3.924 6.935 264 HB VAL 34 HB VAL 34 -7.060 3.512 4.264 265 HG11 VAL 34 HG11 VAL 34 -6.420 6.014 5.778 266 HG12 VAL 34 HG12 VAL 34 -8.011 5.284 5.522 267 HG13 VAL 34 HG13 VAL 34 -7.107 5.922 4.152 268 HG21 VAL 34 HG21 VAL 34 -4.660 3.211 3.983 269 HG22 VAL 34 HG22 VAL 34 -4.376 4.731 4.835 270 HG23 VAL 34 HG23 VAL 34 -5.196 4.735 3.274 271 H ASP 35 HN ASP 35 -7.458 4.710 7.677 272 HA ASP 35 HA ASP 35 -9.406 3.225 8.985 273 HB2 ASP 35 HB2 ASP 35 -10.322 5.527 9.494 274 HB3 ASP 35 HB1 ASP 35 -8.668 5.179 9.992 275 H ILE 36 HN ILE 36 -9.563 3.901 5.743 276 HA ILE 36 HA ILE 36 -11.884 5.254 5.168 277 HB ILE 36 HB ILE 36 -12.089 4.115 3.033 278 HG12 ILE 36 HG12 ILE 36 -9.825 2.330 3.853 279 HG13 ILE 36 HG11 ILE 36 -11.509 1.815 4.010 280 HG21 ILE 36 HG21 ILE 36 -10.417 5.843 3.347 281 HG22 ILE 36 HG22 ILE 36 -9.909 4.650 2.157 282 HG23 ILE 36 HG23 ILE 36 -9.223 4.622 3.794 283 HD11 ILE 36 HD11 ILE 36 -11.825 2.082 1.621 284 HD12 ILE 36 HD12 ILE 36 -10.472 0.994 1.926 285 HD13 ILE 36 HD13 ILE 36 -10.187 2.680 1.446 286 H GLU 37 HN GLU 37 -11.859 2.058 6.467 287 HA GLU 37 HA GLU 37 -14.463 1.284 5.645 288 HB2 GLU 37 HB2 GLU 37 -12.733 -0.304 6.374 289 HB3 GLU 37 HB1 GLU 37 -12.787 0.370 7.990 290 HG2 GLU 37 HG2 GLU 37 -15.050 -0.433 8.281 291 HG3 GLU 37 HG1 GLU 37 -15.071 -1.025 6.619 292 H HIS 38 HN HIS 38 -13.242 3.334 8.098 293 HA HIS 38 HA HIS 38 -15.869 3.514 9.434 294 HB2 HIS 38 HB2 HIS 38 -13.130 4.319 10.462 295 HB3 HIS 38 HB1 HIS 38 -14.638 4.539 11.332 296 HD1 HIS 38 HD1 HIS 38 -15.087 2.707 13.026 297 HD2 HIS 38 HD2 HIS 38 -12.628 1.430 9.923 298 HE1 HIS 38 HE1 HIS 38 -14.379 0.385 13.607 299 H ASN 39 HN ASN 39 -13.258 5.230 7.939 300 HA ASN 39 HA ASN 39 -14.510 7.843 8.305 301 HB2 ASN 39 HB2 ASN 39 -12.204 7.640 8.942 302 HB3 ASN 39 HB1 ASN 39 -11.809 6.952 7.384 303 HD21 ASN 39 HD21 ASN 39 -10.500 8.324 6.683 304 HD22 ASN 39 HD22 ASN 39 -10.657 10.013 6.440 305 H ARG 40 HN ARG 40 -15.677 8.629 6.690 306 HA ARG 40 HA ARG 40 -15.614 7.534 4.058 307 HB2 ARG 40 HB2 ARG 40 -17.248 9.275 3.477 308 HB3 ARG 40 HB1 ARG 40 -17.706 8.442 4.955 309 HG2 ARG 40 HG2 ARG 40 -16.999 10.278 6.299 310 HG3 ARG 40 HG1 ARG 40 -16.283 11.094 4.909 311 HD2 ARG 40 HD2 ARG 40 -18.419 12.097 5.533 312 HD3 ARG 40 HD1 ARG 40 -18.499 11.365 3.935 313 HE ARG 40 HE ARG 40 -19.798 9.610 4.833 314 HH11 ARG 40 HH11 ARG 40 -19.177 12.145 7.241 315 HH12 ARG 40 HH12 ARG 40 -20.628 11.860 8.086 316 HH21 ARG 40 HH21 ARG 40 -21.787 9.254 6.028 317 HH22 ARG 40 HH22 ARG 40 -22.131 10.182 7.406 318 H ALA 41 HN ALA 41 -13.883 10.111 5.640 319 HA ALA 41 HA ALA 41 -13.612 11.660 3.309 320 HB1 ALA 41 HB1 ALA 41 -11.968 12.015 5.835 321 HB2 ALA 41 HB2 ALA 41 -13.532 12.726 5.503 322 HB3 ALA 41 HB3 ALA 41 -12.154 13.143 4.501 323 H ALA 42 HN ALA 42 -11.538 9.235 4.656 324 HA ALA 42 HA ALA 42 -9.640 9.748 2.531 325 HB1 ALA 42 HB1 ALA 42 -9.723 7.530 4.581 326 HB2 ALA 42 HB2 ALA 42 -8.778 9.018 4.680 327 HB3 ALA 42 HB3 ALA 42 -8.412 7.820 3.440 328 H ALA 43 HN ALA 43 -12.430 7.891 3.104 329 HA ALA 43 HA ALA 43 -11.945 5.758 1.311 330 HB1 ALA 43 HB1 ALA 43 -14.292 5.244 1.561 331 HB2 ALA 43 HB2 ALA 43 -14.588 6.854 2.224 332 HB3 ALA 43 HB3 ALA 43 -13.611 5.707 3.134 333 H GLU 44 HN GLU 44 -13.574 8.870 1.014 334 HA GLU 44 HA GLU 44 -14.321 8.442 -1.671 335 HB2 GLU 44 HB2 GLU 44 -13.994 11.078 -0.227 336 HB3 GLU 44 HB1 GLU 44 -14.842 10.835 -1.749 337 HG2 GLU 44 HG2 GLU 44 -15.625 9.863 0.983 338 HG3 GLU 44 HG1 GLU 44 -16.506 10.953 -0.083 339 H PHE 45 HN PHE 45 -11.416 9.450 -0.179 340 HA PHE 45 HA PHE 45 -10.219 10.654 -2.442 341 HB2 PHE 45 HB2 PHE 45 -9.327 11.016 -0.179 342 HB3 PHE 45 HB1 PHE 45 -8.916 9.313 -0.056 343 HD1 PHE 45 HD2 PHE 45 -8.241 12.310 -2.161 344 HD2 PHE 45 HD1 PHE 45 -6.776 8.637 -0.601 345 HE1 PHE 45 HE2 PHE 45 -6.029 12.798 -3.115 346 HE2 PHE 45 HE1 PHE 45 -4.557 9.111 -1.556 347 HZ PHE 45 HZ PHE 45 -4.181 11.199 -2.812 348 H VAL 46 HN VAL 46 -10.538 7.354 -1.337 349 HA VAL 46 HA VAL 46 -8.763 6.136 -3.186 350 HB VAL 46 HB VAL 46 -11.317 4.916 -2.082 351 HG11 VAL 46 HG11 VAL 46 -10.143 2.774 -2.362 352 HG12 VAL 46 HG12 VAL 46 -8.774 3.637 -3.065 353 HG13 VAL 46 HG13 VAL 46 -10.325 3.635 -3.897 354 HG21 VAL 46 HG21 VAL 46 -8.561 4.924 -0.859 355 HG22 VAL 46 HG22 VAL 46 -9.944 4.004 -0.270 356 HG23 VAL 46 HG23 VAL 46 -9.981 5.767 -0.238 357 H GLY 47 HN GLY 47 -12.147 7.026 -3.279 358 HA2 GLY 47 HA2 GLY 47 -12.682 5.990 -5.884 359 HA3 GLY 47 HA1 GLY 47 -13.688 7.114 -4.975 360 H SER 48 HN SER 48 -11.191 8.807 -4.712 361 HA SER 48 HA SER 48 -11.632 10.399 -7.034 362 HB2 SER 48 HB2 SER 48 -11.315 11.404 -4.785 363 HB3 SER 48 HB1 SER 48 -9.677 10.760 -4.738 364 HG SER 48 HG SER 48 -10.616 12.512 -6.742 365 H VAL 49 HN VAL 49 -8.965 8.423 -5.727 366 HA VAL 49 HA VAL 49 -7.324 9.034 -8.017 367 HB VAL 49 HB VAL 49 -5.604 7.551 -7.019 368 HG11 VAL 49 HG11 VAL 49 -5.134 8.909 -5.038 369 HG12 VAL 49 HG12 VAL 49 -6.771 9.557 -5.106 370 HG13 VAL 49 HG13 VAL 49 -5.635 9.892 -6.415 371 HG21 VAL 49 HG21 VAL 49 -7.052 5.909 -5.919 372 HG22 VAL 49 HG22 VAL 49 -7.613 7.146 -4.794 373 HG23 VAL 49 HG23 VAL 49 -5.931 6.627 -4.759 374 H ASN 50 HN ASN 50 -9.359 6.371 -7.039 375 HA ASN 50 HA ASN 50 -8.423 4.846 -9.360 376 HB2 ASN 50 HB2 ASN 50 -9.969 3.961 -6.908 377 HB3 ASN 50 HB1 ASN 50 -9.698 2.929 -8.307 378 HD21 ASN 50 HD21 ASN 50 -8.802 2.657 -5.498 379 HD22 ASN 50 HD22 ASN 50 -7.102 2.485 -5.581 380 H GLY 51 HN GLY 51 -10.106 3.706 -10.625 381 HA2 GLY 51 HA2 GLY 51 -12.562 5.293 -10.696 382 HA3 GLY 51 HA1 GLY 51 -11.636 4.958 -12.160 383 H GLY 52 HN GLY 52 -14.369 4.279 -11.555 384 HA2 GLY 52 HA2 GLY 52 -15.656 2.477 -12.252 385 HA3 GLY 52 HA1 GLY 52 -14.225 1.453 -12.183 386 H ASN 53 HN ASN 53 -14.129 0.069 -10.596 387 HA ASN 53 HA ASN 53 -15.864 0.377 -8.270 388 HB2 ASN 53 HB2 ASN 53 -15.620 -1.849 -9.449 389 HB3 ASN 53 HB1 ASN 53 -13.927 -1.856 -8.971 390 HD21 ASN 53 HD21 ASN 53 -14.038 -3.642 -7.685 391 HD22 ASN 53 HD22 ASN 53 -14.926 -3.714 -6.209 392 H ARG 54 HN ARG 54 -14.933 0.552 -6.165 393 HA ARG 54 HA ARG 54 -12.432 1.891 -6.165 394 HB2 ARG 54 HB2 ARG 54 -14.245 1.068 -3.915 395 HB3 ARG 54 HB1 ARG 54 -12.697 1.846 -3.622 396 HG2 ARG 54 HG2 ARG 54 -13.420 3.733 -5.014 397 HG3 ARG 54 HG1 ARG 54 -14.988 2.964 -5.212 398 HD2 ARG 54 HD2 ARG 54 -15.331 3.096 -2.770 399 HD3 ARG 54 HD1 ARG 54 -13.775 3.907 -2.595 400 HE ARG 54 HE ARG 54 -15.278 5.188 -4.553 401 HH11 ARG 54 HH11 ARG 54 -15.366 4.839 -1.015 402 HH12 ARG 54 HH12 ARG 54 -16.025 6.409 -0.797 403 HH21 ARG 54 HH21 ARG 54 -16.182 7.296 -4.171 404 HH22 ARG 54 HH22 ARG 54 -16.515 7.794 -2.577 405 H THR 55 HN THR 55 -10.862 0.684 -6.854 406 HA THR 55 HA THR 55 -10.150 -1.877 -6.049 407 HB THR 55 HB THR 55 -8.176 0.331 -6.646 408 HG1 THR 55 HG1 THR 55 -10.155 -0.856 -8.288 409 HG21 THR 55 HG21 THR 55 -7.368 -1.929 -6.185 410 HG22 THR 55 HG22 THR 55 -7.072 -1.477 -7.873 411 HG23 THR 55 HG23 THR 55 -8.398 -2.569 -7.469 412 H VAL 56 HN VAL 56 -9.757 -2.419 -3.940 413 HA VAL 56 HA VAL 56 -9.297 -0.320 -2.099 414 HB VAL 56 HB VAL 56 -8.963 -3.183 -1.335 415 HG11 VAL 56 HG11 VAL 56 -8.192 -1.433 0.185 416 HG12 VAL 56 HG12 VAL 56 -9.566 -2.315 0.867 417 HG13 VAL 56 HG13 VAL 56 -9.789 -0.710 0.161 418 HG21 VAL 56 HG21 VAL 56 -11.111 -2.902 -2.446 419 HG22 VAL 56 HG22 VAL 56 -11.432 -1.525 -1.364 420 HG23 VAL 56 HG23 VAL 56 -11.256 -3.170 -0.694 421 HA PRO 57 HA PRO 57 -5.438 -2.194 -1.200 422 HB2 PRO 57 HB2 PRO 57 -3.836 -3.880 -2.661 423 HB3 PRO 57 HB1 PRO 57 -5.076 -4.391 -1.512 424 HG2 PRO 57 HG2 PRO 57 -5.278 -4.109 -4.478 425 HG3 PRO 57 HG1 PRO 57 -5.928 -5.388 -3.436 426 HD2 PRO 57 HD2 PRO 57 -7.411 -3.282 -4.387 427 HD3 PRO 57 HD1 PRO 57 -7.724 -4.215 -2.875 428 H THR 58 HN THR 58 -5.233 -0.052 -1.996 429 HA THR 58 HA THR 58 -3.534 0.562 -4.256 430 HB THR 58 HB THR 58 -5.449 2.222 -2.577 431 HG1 THR 58 HG1 THR 58 -6.714 0.897 -3.746 432 HG21 THR 58 HG21 THR 58 -5.294 3.856 -4.408 433 HG22 THR 58 HG22 THR 58 -4.154 2.828 -5.249 434 HG23 THR 58 HG23 THR 58 -3.685 3.598 -3.727 435 H VAL 59 HN VAL 59 -1.528 1.226 -3.738 436 HA VAL 59 HA VAL 59 -0.964 1.626 -0.903 437 HB VAL 59 HB VAL 59 0.171 -0.365 -1.776 438 HG11 VAL 59 HG11 VAL 59 0.290 0.124 -4.096 439 HG12 VAL 59 HG12 VAL 59 1.932 -0.163 -3.485 440 HG13 VAL 59 HG13 VAL 59 1.357 1.483 -3.777 441 HG21 VAL 59 HG21 VAL 59 2.482 0.199 -1.194 442 HG22 VAL 59 HG22 VAL 59 1.312 0.894 -0.071 443 HG23 VAL 59 HG23 VAL 59 2.072 1.913 -1.291 444 H LYS 60 HN LYS 60 -0.464 3.528 -0.303 445 HA LYS 60 HA LYS 60 0.492 5.477 -2.258 446 HB2 LYS 60 HB2 LYS 60 -1.597 6.046 -1.144 447 HB3 LYS 60 HB1 LYS 60 -0.875 5.748 0.425 448 HG2 LYS 60 HG2 LYS 60 0.494 7.702 0.189 449 HG3 LYS 60 HG1 LYS 60 -0.075 7.934 -1.473 450 HD2 LYS 60 HD2 LYS 60 -2.338 8.235 -0.697 451 HD3 LYS 60 HD1 LYS 60 -1.848 7.910 0.962 452 HE2 LYS 60 HE2 LYS 60 -0.792 10.138 -0.715 453 HE3 LYS 60 HE1 LYS 60 -2.155 10.326 0.397 454 HZ1 LYS 60 HZ1 LYS 60 0.640 9.573 1.125 455 HZ2 LYS 60 HZ2 LYS 60 -0.631 9.616 2.190 456 HZ3 LYS 60 HZ3 LYS 60 -0.109 11.040 1.458 457 H PHE 61 HN PHE 61 2.640 5.613 -2.223 458 HA PHE 61 HA PHE 61 4.110 4.789 0.106 459 HB2 PHE 61 HB2 PHE 61 4.983 5.775 -2.603 460 HB3 PHE 61 HB1 PHE 61 6.127 5.435 -1.310 461 HD1 PHE 61 HD1 PHE 61 3.716 3.956 -3.673 462 HD2 PHE 61 HD2 PHE 61 6.658 3.174 -0.676 463 HE1 PHE 61 HE1 PHE 61 3.772 1.561 -4.332 464 HE2 PHE 61 HE2 PHE 61 6.701 0.831 -1.320 465 HZ PHE 61 HZ PHE 61 5.258 0.015 -3.155 466 H ALA 62 HN ALA 62 5.799 6.111 1.031 467 HA ALA 62 HA ALA 62 4.811 8.383 2.205 468 HB1 ALA 62 HB1 ALA 62 6.581 7.002 3.150 469 HB2 ALA 62 HB2 ALA 62 7.028 8.708 3.138 470 HB3 ALA 62 HB3 ALA 62 7.704 7.612 1.934 471 H ASP 63 HN ASP 63 6.443 8.163 -0.826 472 HA ASP 63 HA ASP 63 7.275 10.917 -0.880 473 HB2 ASP 63 HB2 ASP 63 8.196 10.474 -2.999 474 HB3 ASP 63 HB1 ASP 63 8.447 8.998 -2.086 475 H GLY 64 HN GLY 64 4.414 9.214 -1.558 476 HA2 GLY 64 HA2 GLY 64 2.400 10.554 -1.767 477 HA3 GLY 64 HA1 GLY 64 3.306 11.649 -2.795 478 H SER 65 HN SER 65 4.389 8.823 -3.877 479 HA SER 65 HA SER 65 2.563 8.838 -6.088 480 HB2 SER 65 HB2 SER 65 5.059 8.463 -6.316 481 HB3 SER 65 HB1 SER 65 4.827 6.931 -5.480 482 HG SER 65 HG SER 65 3.707 7.707 -7.960 483 H THR 66 HN THR 66 0.964 7.327 -6.489 484 HA THR 66 HA THR 66 0.519 5.354 -4.349 485 HB THR 66 HB THR 66 -1.674 6.496 -6.080 486 HG1 THR 66 HG1 THR 66 -0.065 7.880 -4.642 487 HG21 THR 66 HG21 THR 66 -1.565 5.548 -3.215 488 HG22 THR 66 HG22 THR 66 -2.118 4.593 -4.590 489 HG23 THR 66 HG23 THR 66 -3.014 6.037 -4.099 490 H LEU 67 HN LEU 67 0.145 3.295 -5.033 491 HA LEU 67 HA LEU 67 0.069 2.835 -7.926 492 HB2 LEU 67 HB2 LEU 67 1.690 1.427 -5.842 493 HB3 LEU 67 HB1 LEU 67 1.169 0.560 -7.264 494 HG LEU 67 HG LEU 67 2.356 2.246 -8.646 495 HD11 LEU 67 HD11 LEU 67 4.119 3.614 -7.655 496 HD12 LEU 67 HD12 LEU 67 3.440 3.315 -6.052 497 HD13 LEU 67 HD13 LEU 67 2.492 4.142 -7.275 498 HD21 LEU 67 HD21 LEU 67 4.589 1.347 -8.194 499 HD22 LEU 67 HD22 LEU 67 3.319 0.130 -8.257 500 HD23 LEU 67 HD23 LEU 67 3.958 0.636 -6.696 501 H THR 68 HN THR 68 -1.218 1.267 -8.685 502 HA THR 68 HA THR 68 -3.338 0.442 -6.864 503 HB THR 68 HB THR 68 -3.279 0.298 -9.887 504 HG1 THR 68 HG1 THR 68 -3.063 2.413 -9.556 505 HG21 THR 68 HG21 THR 68 -5.034 -0.999 -8.747 506 HG22 THR 68 HG22 THR 68 -5.723 0.349 -9.651 507 HG23 THR 68 HG23 THR 68 -5.554 0.456 -7.897 508 H ASN 69 HN ASN 69 -3.133 -1.559 -6.071 509 HA ASN 69 HA ASN 69 -2.210 -3.547 -5.683 510 HB2 ASN 69 HB2 ASN 69 -3.319 -5.394 -6.885 511 HB3 ASN 69 HB1 ASN 69 -4.420 -4.172 -6.291 512 HD21 ASN 69 HD21 ASN 69 -4.760 -6.217 -8.320 513 HD22 ASN 69 HD22 ASN 69 -5.158 -5.424 -9.803 514 HA PRO 70 HA PRO 70 1.295 -4.341 -8.348 515 HB2 PRO 70 HB2 PRO 70 3.235 -3.558 -6.744 516 HB3 PRO 70 HB1 PRO 70 2.228 -2.325 -7.518 517 HG2 PRO 70 HG2 PRO 70 2.063 -3.439 -4.751 518 HG3 PRO 70 HG1 PRO 70 2.005 -1.731 -5.251 519 HD2 PRO 70 HD2 PRO 70 -0.218 -3.298 -4.724 520 HD3 PRO 70 HD1 PRO 70 -0.236 -1.864 -5.770 521 H SER 71 HN SER 71 3.460 -5.516 -7.220 522 HA SER 71 HA SER 71 2.392 -7.664 -5.527 523 HB2 SER 71 HB2 SER 71 4.675 -7.786 -7.528 524 HB3 SER 71 HB1 SER 71 4.045 -9.134 -6.575 525 HG SER 71 HG SER 71 2.075 -8.883 -7.589 526 H ALA 72 HN ALA 72 4.296 -8.729 -4.204 527 HA ALA 72 HA ALA 72 5.226 -6.812 -2.409 528 HB1 ALA 72 HB1 ALA 72 6.281 -9.612 -2.795 529 HB2 ALA 72 HB2 ALA 72 4.873 -9.175 -1.825 530 HB3 ALA 72 HB3 ALA 72 6.476 -8.611 -1.356 531 H ASP 73 HN ASP 73 6.907 -8.424 -5.066 532 HA ASP 73 HA ASP 73 9.442 -7.346 -4.479 533 HB2 ASP 73 HB2 ASP 73 8.328 -8.499 -7.022 534 HB3 ASP 73 HB1 ASP 73 9.951 -7.835 -6.960 535 H GLU 74 HN GLU 74 6.782 -6.130 -6.309 536 HA GLU 74 HA GLU 74 8.042 -3.936 -7.569 537 HB2 GLU 74 HB2 GLU 74 5.198 -4.192 -6.577 538 HB3 GLU 74 HB1 GLU 74 5.768 -2.963 -7.694 539 HG2 GLU 74 HG2 GLU 74 5.659 -5.928 -8.202 540 HG3 GLU 74 HG1 GLU 74 4.551 -4.718 -8.847 541 H VAL 75 HN VAL 75 6.219 -4.264 -4.582 542 HA VAL 75 HA VAL 75 6.467 -1.630 -3.678 543 HB VAL 75 HB VAL 75 6.045 -4.170 -2.071 544 HG11 VAL 75 HG11 VAL 75 6.797 -2.348 -0.632 545 HG12 VAL 75 HG12 VAL 75 5.096 -2.716 -0.342 546 HG13 VAL 75 HG13 VAL 75 5.544 -1.297 -1.290 547 HG21 VAL 75 HG21 VAL 75 4.073 -2.172 -3.179 548 HG22 VAL 75 HG22 VAL 75 3.674 -3.565 -2.172 549 HG23 VAL 75 HG23 VAL 75 4.349 -3.804 -3.781 550 H LYS 76 HN LYS 76 8.379 -4.490 -3.011 551 HA LYS 76 HA LYS 76 10.159 -3.445 -1.144 552 HB2 LYS 76 HB2 LYS 76 9.933 -5.788 -1.555 553 HB3 LYS 76 HB1 LYS 76 10.476 -5.584 -3.217 554 HG2 LYS 76 HG2 LYS 76 12.718 -4.993 -2.374 555 HG3 LYS 76 HG1 LYS 76 12.148 -5.241 -0.720 556 HD2 LYS 76 HD2 LYS 76 13.344 -7.220 -1.542 557 HD3 LYS 76 HD1 LYS 76 11.646 -7.589 -1.241 558 HE2 LYS 76 HE2 LYS 76 11.182 -7.308 -3.651 559 HE3 LYS 76 HE1 LYS 76 12.888 -6.993 -3.934 560 HZ1 LYS 76 HZ1 LYS 76 13.380 -9.258 -3.284 561 HZ2 LYS 76 HZ2 LYS 76 12.101 -9.289 -4.413 562 HZ3 LYS 76 HZ3 LYS 76 11.782 -9.494 -2.797 563 H ALA 77 HN ALA 77 10.463 -3.517 -4.715 564 HA ALA 77 HA ALA 77 13.050 -2.294 -4.682 565 HB1 ALA 77 HB1 ALA 77 11.087 -2.629 -6.943 566 HB2 ALA 77 HB2 ALA 77 12.388 -3.743 -6.510 567 HB3 ALA 77 HB3 ALA 77 12.771 -2.134 -7.116 568 H LYS 78 HN LYS 78 9.834 -1.090 -4.659 569 HA LYS 78 HA LYS 78 10.583 1.629 -5.306 570 HB2 LYS 78 HB2 LYS 78 8.104 0.421 -4.085 571 HB3 LYS 78 HB1 LYS 78 8.294 2.136 -4.381 572 HG2 LYS 78 HG2 LYS 78 8.446 0.043 -6.522 573 HG3 LYS 78 HG1 LYS 78 6.968 0.888 -6.055 574 HD2 LYS 78 HD2 LYS 78 8.142 3.040 -6.558 575 HD3 LYS 78 HD1 LYS 78 9.493 2.097 -7.182 576 HE2 LYS 78 HE2 LYS 78 6.666 1.976 -8.220 577 HE3 LYS 78 HE1 LYS 78 7.973 2.886 -8.965 578 HZ1 LYS 78 HZ1 LYS 78 9.152 0.826 -9.338 579 HZ2 LYS 78 HZ2 LYS 78 7.626 0.737 -10.033 580 HZ3 LYS 78 HZ3 LYS 78 7.941 -0.062 -8.597 581 H LEU 79 HN LEU 79 9.912 -0.288 -2.463 582 HA LEU 79 HA LEU 79 9.926 1.634 -0.516 583 HB2 LEU 79 HB2 LEU 79 9.384 -0.840 -0.235 584 HB3 LEU 79 HB1 LEU 79 11.094 -1.135 -0.291 585 HG LEU 79 HG LEU 79 11.329 0.279 1.754 586 HD11 LEU 79 HD11 LEU 79 8.334 0.093 1.774 587 HD12 LEU 79 HD12 LEU 79 9.323 1.564 1.858 588 HD13 LEU 79 HD13 LEU 79 9.308 0.424 3.187 589 HD21 LEU 79 HD21 LEU 79 10.595 -1.521 3.265 590 HD22 LEU 79 HD22 LEU 79 11.448 -2.137 1.851 591 HD23 LEU 79 HD23 LEU 79 9.689 -2.242 1.936 592 H VAL 80 HN VAL 80 12.600 -0.247 -1.827 593 HA VAL 80 HA VAL 80 14.594 0.866 -0.228 594 HB VAL 80 HB VAL 80 16.248 -0.022 -1.779 595 HG11 VAL 80 HG11 VAL 80 15.596 -2.379 -1.825 596 HG12 VAL 80 HG12 VAL 80 13.940 -1.918 -1.453 597 HG13 VAL 80 HG13 VAL 80 15.225 -1.610 -0.280 598 HG21 VAL 80 HG21 VAL 80 15.321 0.584 -3.903 599 HG22 VAL 80 HG22 VAL 80 13.947 -0.480 -3.647 600 HG23 VAL 80 HG23 VAL 80 15.561 -1.168 -3.873 601 H LYS 81 HN LYS 81 13.244 2.063 -3.260 602 HA LYS 81 HA LYS 81 15.274 4.078 -3.353 603 HB2 LYS 81 HB2 LYS 81 14.174 4.967 -5.378 604 HB3 LYS 81 HB1 LYS 81 14.532 3.249 -5.465 605 HG2 LYS 81 HG2 LYS 81 12.322 2.644 -5.286 606 HG3 LYS 81 HG1 LYS 81 11.819 4.247 -4.742 607 HD2 LYS 81 HD2 LYS 81 11.227 3.819 -7.120 608 HD3 LYS 81 HD1 LYS 81 12.320 5.188 -6.917 609 HE2 LYS 81 HE2 LYS 81 14.209 3.692 -7.447 610 HE3 LYS 81 HE1 LYS 81 13.051 2.398 -7.770 611 HZ1 LYS 81 HZ1 LYS 81 12.148 3.703 -9.577 612 HZ2 LYS 81 HZ2 LYS 81 13.809 3.573 -9.800 613 HZ3 LYS 81 HZ3 LYS 81 13.156 4.991 -9.206 614 H ILE 82 HN ILE 82 11.912 3.973 -2.323 615 HA ILE 82 HA ILE 82 11.943 6.837 -2.096 616 HB ILE 82 HB ILE 82 9.599 6.745 -1.354 617 HG12 ILE 82 HG12 ILE 82 8.381 4.477 -1.753 618 HG13 ILE 82 HG11 ILE 82 9.957 3.740 -1.551 619 HG21 ILE 82 HG21 ILE 82 10.203 5.213 -3.862 620 HG22 ILE 82 HG22 ILE 82 10.107 6.964 -3.675 621 HG23 ILE 82 HG23 ILE 82 8.665 5.974 -3.467 622 HD11 ILE 82 HD11 ILE 82 8.477 5.367 0.512 623 HD12 ILE 82 HD12 ILE 82 10.075 4.647 0.723 624 HD13 ILE 82 HD13 ILE 82 8.667 3.611 0.495 625 H ALA 83 HN ALA 83 12.347 4.207 0.086 626 HA ALA 83 HA ALA 83 12.266 6.059 2.318 627 HB1 ALA 83 HB1 ALA 83 12.691 4.070 3.704 628 HB2 ALA 83 HB2 ALA 83 12.843 3.097 2.238 629 HB3 ALA 83 HB3 ALA 83 11.298 3.839 2.647 630 H GLY 84 HN GLY 84 14.500 4.333 0.288 631 HA2 GLY 84 HA2 GLY 84 16.652 5.139 -0.140 632 HA3 GLY 84 HA1 GLY 84 16.662 5.907 1.446 633 H LEU 85 HN LEU 85 18.459 5.005 2.221 634 HA LEU 85 HA LEU 85 19.062 2.240 1.952 635 HB2 LEU 85 HB2 LEU 85 20.275 4.421 3.636 636 HB3 LEU 85 HB1 LEU 85 20.813 2.762 3.751 637 HG LEU 85 HG LEU 85 22.339 4.044 2.389 638 HD11 LEU 85 HD11 LEU 85 22.400 2.690 0.383 639 HD12 LEU 85 HD12 LEU 85 20.759 2.134 0.700 640 HD13 LEU 85 HD13 LEU 85 22.059 1.725 1.819 641 HD21 LEU 85 HD21 LEU 85 21.682 5.006 0.225 642 HD22 LEU 85 HD22 LEU 85 20.845 5.791 1.567 643 HD23 LEU 85 HD23 LEU 85 19.997 4.610 0.569 644 H GLU 86 HN GLU 86 17.400 4.146 4.315 645 HA GLU 86 HA GLU 86 17.248 1.815 6.052 646 HB2 GLU 86 HB2 GLU 86 16.227 4.602 6.560 647 HB3 GLU 86 HB1 GLU 86 16.288 3.286 7.717 648 HG2 GLU 86 HG2 GLU 86 18.749 3.286 7.535 649 HG3 GLU 86 HG1 GLU 86 18.636 4.695 6.479 650 H HIS 87 HN HIS 87 15.884 0.555 4.975 651 HA HIS 87 HA HIS 87 13.148 1.537 4.823 652 HB2 HIS 87 HB2 HIS 87 12.822 -0.305 3.024 653 HB3 HIS 87 HB1 HIS 87 13.641 1.178 2.550 654 HD1 HIS 87 HD1 HIS 87 16.164 0.968 1.908 655 HD2 HIS 87 HD2 HIS 87 14.328 -2.605 2.992 656 HE1 HIS 87 HE1 HIS 87 17.746 -0.858 1.234 657 H HIS 88 HN HIS 88 15.137 -0.292 6.505 658 HA HIS 88 HA HIS 88 12.908 -1.626 7.771 659 HB2 HIS 88 HB2 HIS 88 15.587 -2.911 7.139 660 HB3 HIS 88 HB1 HIS 88 14.522 -3.524 8.395 661 HD1 HIS 88 HD1 HIS 88 12.182 -4.515 7.511 662 HD2 HIS 88 HD2 HIS 88 15.048 -3.741 4.614 663 HE1 HIS 88 HE1 HIS 88 11.463 -5.787 5.463 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 2.589 0.626 18.161 2 H2 MET 1 HT2 MET 1 3.770 -0.554 18.170 3 H3 MET 1 HT3 MET 1 2.172 -0.968 18.504 4 HA MET 1 HA MET 1 2.909 -1.612 16.287 5 HB2 MET 1 HB2 MET 1 1.052 -0.554 14.982 6 HB3 MET 1 HB1 MET 1 0.556 -1.249 16.513 7 HG2 MET 1 HG2 MET 1 0.480 0.985 17.500 8 HG3 MET 1 HG1 MET 1 1.007 1.678 15.968 9 HE1 MET 1 HE1 MET 1 -1.784 -0.566 17.642 10 HE2 MET 1 HE2 MET 1 -1.482 -1.413 16.121 11 HE3 MET 1 HE3 MET 1 -3.011 -0.583 16.382 12 H VAL 2 HN VAL 2 2.826 -0.465 13.949 13 HA VAL 2 HA VAL 2 5.298 1.038 14.132 14 HB VAL 2 HB VAL 2 5.624 0.422 11.750 15 HG11 VAL 2 HG11 VAL 2 6.167 -1.912 12.202 16 HG12 VAL 2 HG12 VAL 2 5.160 -1.873 13.649 17 HG13 VAL 2 HG13 VAL 2 6.618 -0.882 13.558 18 HG21 VAL 2 HG21 VAL 2 4.201 -1.366 10.797 19 HG22 VAL 2 HG22 VAL 2 3.289 0.114 11.092 20 HG23 VAL 2 HG23 VAL 2 3.141 -1.248 12.202 21 H THR 3 HN THR 3 5.725 2.394 12.146 22 HA THR 3 HA THR 3 3.487 3.875 11.070 23 HB THR 3 HB THR 3 5.958 5.136 12.325 24 HG1 THR 3 HG1 THR 3 3.507 4.529 13.363 25 HG21 THR 3 HG21 THR 3 5.107 6.353 10.379 26 HG22 THR 3 HG22 THR 3 4.824 7.269 11.860 27 HG23 THR 3 HG23 THR 3 3.499 6.400 11.095 28 H ALA 4 HN ALA 4 3.909 3.627 8.903 29 HA ALA 4 HA ALA 4 6.749 3.620 8.115 30 HB1 ALA 4 HB1 ALA 4 4.646 1.792 7.007 31 HB2 ALA 4 HB2 ALA 4 5.906 1.334 8.155 32 HB3 ALA 4 HB3 ALA 4 6.340 1.851 6.522 33 H ALA 5 HN ALA 5 6.945 3.778 5.666 34 HA ALA 5 HA ALA 5 5.609 6.172 4.810 35 HB1 ALA 5 HB1 ALA 5 7.993 5.809 4.356 36 HB2 ALA 5 HB2 ALA 5 7.088 6.036 2.860 37 HB3 ALA 5 HB3 ALA 5 7.591 4.419 3.352 38 H LEU 6 HN LEU 6 4.618 3.111 4.847 39 HA LEU 6 HA LEU 6 3.302 3.124 2.241 40 HB2 LEU 6 HB2 LEU 6 3.716 1.001 4.308 41 HB3 LEU 6 HB1 LEU 6 2.446 0.848 3.121 42 HG LEU 6 HG LEU 6 4.131 0.892 1.350 43 HD11 LEU 6 HD11 LEU 6 5.892 2.149 2.525 44 HD12 LEU 6 HD12 LEU 6 6.492 0.603 1.917 45 HD13 LEU 6 HD13 LEU 6 6.116 0.788 3.627 46 HD21 LEU 6 HD21 LEU 6 3.306 -1.189 2.188 47 HD22 LEU 6 HD22 LEU 6 4.494 -1.172 3.488 48 HD23 LEU 6 HD23 LEU 6 5.024 -1.338 1.817 49 H THR 7 HN THR 7 1.585 4.396 2.386 50 HA THR 7 HA THR 7 -0.243 3.929 4.625 51 HB THR 7 HB THR 7 -0.433 6.003 2.418 52 HG1 THR 7 HG1 THR 7 1.392 5.741 4.277 53 HG21 THR 7 HG21 THR 7 -2.466 5.626 3.787 54 HG22 THR 7 HG22 THR 7 -1.782 7.224 4.083 55 HG23 THR 7 HG23 THR 7 -1.520 5.924 5.246 56 H ILE 8 HN ILE 8 -1.551 2.242 4.126 57 HA ILE 8 HA ILE 8 -2.088 1.791 1.296 58 HB ILE 8 HB ILE 8 -2.117 -0.263 3.524 59 HG12 ILE 8 HG12 ILE 8 -0.162 0.260 1.281 60 HG13 ILE 8 HG11 ILE 8 0.149 0.409 3.008 61 HG21 ILE 8 HG21 ILE 8 -3.737 -0.726 1.768 62 HG22 ILE 8 HG22 ILE 8 -2.419 -1.908 1.734 63 HG23 ILE 8 HG23 ILE 8 -2.476 -0.610 0.538 64 HD11 ILE 8 HD11 ILE 8 -0.148 -2.024 3.234 65 HD12 ILE 8 HD12 ILE 8 1.152 -1.605 2.113 66 HD13 ILE 8 HD13 ILE 8 -0.411 -2.131 1.496 67 H TYR 9 HN TYR 9 -3.989 1.851 0.572 68 HA TYR 9 HA TYR 9 -6.205 2.240 2.376 69 HB2 TYR 9 HB2 TYR 9 -5.769 2.640 -0.567 70 HB3 TYR 9 HB1 TYR 9 -7.343 2.905 0.152 71 HD1 TYR 9 HD1 TYR 9 -7.585 4.726 1.857 72 HD2 TYR 9 HD2 TYR 9 -4.024 4.256 -0.414 73 HE1 TYR 9 HE1 TYR 9 -6.908 7.004 2.463 74 HE2 TYR 9 HE2 TYR 9 -3.332 6.540 0.196 75 HH TYR 9 HH TYR 9 -4.484 8.668 0.927 76 H THR 10 HN THR 10 -6.998 0.357 3.082 77 HA THR 10 HA THR 10 -7.780 -1.623 1.097 78 HB THR 10 HB THR 10 -7.187 -3.293 3.015 79 HG1 THR 10 HG1 THR 10 -6.207 -2.335 4.642 80 HG21 THR 10 HG21 THR 10 -6.137 -3.379 0.823 81 HG22 THR 10 HG22 THR 10 -4.914 -3.602 2.088 82 HG23 THR 10 HG23 THR 10 -5.074 -2.048 1.271 83 H THR 11 HN THR 11 -9.754 -2.535 1.532 84 HA THR 11 HA THR 11 -11.310 -1.492 3.698 85 HB THR 11 HB THR 11 -12.090 -3.769 1.857 86 HG1 THR 11 HG1 THR 11 -12.609 -2.264 0.308 87 HG21 THR 11 HG21 THR 11 -13.642 -3.130 3.655 88 HG22 THR 11 HG22 THR 11 -14.303 -2.758 2.063 89 HG23 THR 11 HG23 THR 11 -13.642 -1.468 3.058 90 H SER 12 HN SER 12 -12.221 -2.944 5.389 91 HA SER 12 HA SER 12 -10.459 -4.831 6.409 92 HB2 SER 12 HB2 SER 12 -12.570 -5.384 7.810 93 HB3 SER 12 HB1 SER 12 -11.918 -3.744 7.921 94 HG SER 12 HG SER 12 -13.922 -3.291 7.484 95 H TRP 13 HN TRP 13 -13.584 -5.198 4.786 96 HA TRP 13 HA TRP 13 -13.078 -7.993 4.402 97 HB2 TRP 13 HB2 TRP 13 -15.315 -8.119 3.393 98 HB3 TRP 13 HB1 TRP 13 -15.360 -7.316 4.955 99 HD1 TRP 13 HD1 TRP 13 -15.960 -6.767 1.266 100 HE1 TRP 13 HE1 TRP 13 -17.141 -4.599 0.890 101 HE3 TRP 13 HE3 TRP 13 -15.729 -4.949 6.025 102 HZ2 TRP 13 HZ2 TRP 13 -17.958 -2.320 2.428 103 HZ3 TRP 13 HZ3 TRP 13 -16.755 -2.760 6.496 104 HH2 TRP 13 HH2 TRP 13 -17.845 -1.477 4.735 105 H CYS 14 HN CYS 14 -11.351 -8.229 3.141 106 HA CYS 14 HA CYS 14 -11.832 -8.076 0.341 107 HB2 CYS 14 HB2 CYS 14 -11.113 -5.749 0.759 108 HB3 CYS 14 HB1 CYS 14 -9.635 -6.335 1.504 109 H GLY 15 HN GLY 15 -11.066 -9.988 -0.309 110 HA2 GLY 15 HA2 GLY 15 -9.084 -11.374 1.281 111 HA3 GLY 15 HA1 GLY 15 -9.938 -12.016 -0.116 112 H TYR 16 HN TYR 16 -9.337 -9.872 -1.849 113 HA TYR 16 HA TYR 16 -6.885 -10.709 -2.932 114 HB2 TYR 16 HB2 TYR 16 -8.738 -9.692 -4.244 115 HB3 TYR 16 HB1 TYR 16 -8.432 -8.153 -3.463 116 HD1 TYR 16 HD1 TYR 16 -6.915 -10.681 -5.707 117 HD2 TYR 16 HD2 TYR 16 -6.854 -6.653 -4.373 118 HE1 TYR 16 HE1 TYR 16 -5.356 -10.112 -7.518 119 HE2 TYR 16 HE2 TYR 16 -5.287 -6.073 -6.179 120 HH TYR 16 HH TYR 16 -4.683 -8.157 -8.771 121 H CYS 17 HN CYS 17 -7.797 -7.953 -0.972 122 HA CYS 17 HA CYS 17 -5.326 -6.625 -0.892 123 HB2 CYS 17 HB2 CYS 17 -7.488 -6.681 1.209 124 HB3 CYS 17 HB1 CYS 17 -6.257 -5.442 1.010 125 H LEU 18 HN LEU 18 -6.802 -9.162 1.075 126 HA LEU 18 HA LEU 18 -5.079 -9.167 3.267 127 HB2 LEU 18 HB2 LEU 18 -7.349 -10.224 3.114 128 HB3 LEU 18 HB1 LEU 18 -6.676 -11.448 2.074 129 HG LEU 18 HG LEU 18 -7.147 -12.166 4.433 130 HD11 LEU 18 HD11 LEU 18 -5.077 -13.403 4.793 131 HD12 LEU 18 HD12 LEU 18 -4.278 -12.410 3.575 132 HD13 LEU 18 HD13 LEU 18 -5.612 -13.465 3.113 133 HD21 LEU 18 HD21 LEU 18 -4.833 -10.353 5.098 134 HD22 LEU 18 HD22 LEU 18 -5.600 -11.492 6.206 135 HD23 LEU 18 HD23 LEU 18 -6.514 -10.123 5.574 136 H ARG 19 HN ARG 19 -4.942 -10.822 0.180 137 HA ARG 19 HA ARG 19 -2.795 -12.551 0.610 138 HB2 ARG 19 HB2 ARG 19 -3.555 -11.103 -1.928 139 HB3 ARG 19 HB1 ARG 19 -2.398 -12.418 -1.853 140 HG2 ARG 19 HG2 ARG 19 -4.178 -13.913 -1.056 141 HG3 ARG 19 HG1 ARG 19 -5.332 -12.583 -1.181 142 HD2 ARG 19 HD2 ARG 19 -5.452 -14.029 -3.153 143 HD3 ARG 19 HD1 ARG 19 -4.881 -12.416 -3.585 144 HE ARG 19 HE ARG 19 -2.712 -14.154 -3.045 145 HH11 ARG 19 HH11 ARG 19 -5.095 -13.500 -5.567 146 HH12 ARG 19 HH12 ARG 19 -4.100 -14.045 -6.836 147 HH21 ARG 19 HH21 ARG 19 -1.359 -14.907 -4.783 148 HH22 ARG 19 HH22 ARG 19 -1.932 -14.853 -6.385 149 H LEU 20 HN LEU 20 -2.768 -9.134 -0.242 150 HA LEU 20 HA LEU 20 0.053 -9.105 -0.588 151 HB2 LEU 20 HB2 LEU 20 -1.243 -7.524 -1.861 152 HB3 LEU 20 HB1 LEU 20 -1.985 -6.884 -0.412 153 HG LEU 20 HG LEU 20 0.395 -6.107 0.213 154 HD11 LEU 20 HD11 LEU 20 1.764 -5.469 -1.752 155 HD12 LEU 20 HD12 LEU 20 0.861 -6.621 -2.719 156 HD13 LEU 20 HD13 LEU 20 1.840 -7.162 -1.349 157 HD21 LEU 20 HD21 LEU 20 -1.391 -4.581 -0.311 158 HD22 LEU 20 HD22 LEU 20 -1.126 -4.816 -2.038 159 HD23 LEU 20 HD23 LEU 20 0.107 -4.020 -1.054 160 H LYS 21 HN LYS 21 -2.232 -8.041 1.860 161 HA LYS 21 HA LYS 21 -0.553 -6.746 3.651 162 HB2 LYS 21 HB2 LYS 21 -3.048 -8.359 4.169 163 HB3 LYS 21 HB1 LYS 21 -2.245 -7.398 5.401 164 HG2 LYS 21 HG2 LYS 21 -2.618 -5.371 4.095 165 HG3 LYS 21 HG1 LYS 21 -3.350 -6.324 2.814 166 HD2 LYS 21 HD2 LYS 21 -5.019 -5.190 4.258 167 HD3 LYS 21 HD1 LYS 21 -5.195 -6.941 4.241 168 HE2 LYS 21 HE2 LYS 21 -4.128 -7.117 6.401 169 HE3 LYS 21 HE1 LYS 21 -3.743 -5.398 6.394 170 HZ1 LYS 21 HZ1 LYS 21 -5.974 -4.836 6.656 171 HZ2 LYS 21 HZ2 LYS 21 -5.724 -6.110 7.736 172 HZ3 LYS 21 HZ3 LYS 21 -6.535 -6.389 6.289 173 H THR 22 HN THR 22 -1.415 -10.174 3.615 174 HA THR 22 HA THR 22 0.181 -10.831 5.838 175 HB THR 22 HB THR 22 -0.034 -13.222 4.869 176 HG1 THR 22 HG1 THR 22 -1.979 -11.918 3.223 177 HG21 THR 22 HG21 THR 22 -2.505 -11.604 5.523 178 HG22 THR 22 HG22 THR 22 -1.434 -12.368 6.695 179 HG23 THR 22 HG23 THR 22 -2.390 -13.360 5.594 180 H ALA 23 HN ALA 23 0.886 -10.661 2.422 181 HA ALA 23 HA ALA 23 3.437 -11.930 2.444 182 HB1 ALA 23 HB1 ALA 23 2.375 -9.778 0.619 183 HB2 ALA 23 HB2 ALA 23 2.131 -11.508 0.382 184 HB3 ALA 23 HB3 ALA 23 3.759 -10.823 0.290 185 H LEU 24 HN LEU 24 2.401 -8.604 2.852 186 HA LEU 24 HA LEU 24 4.988 -7.510 2.992 187 HB2 LEU 24 HB2 LEU 24 2.414 -6.503 4.173 188 HB3 LEU 24 HB1 LEU 24 3.875 -5.540 4.028 189 HG LEU 24 HG LEU 24 2.146 -6.600 1.792 190 HD11 LEU 24 HD11 LEU 24 1.217 -4.679 2.915 191 HD12 LEU 24 HD12 LEU 24 1.781 -4.243 1.299 192 HD13 LEU 24 HD13 LEU 24 2.735 -3.805 2.711 193 HD21 LEU 24 HD21 LEU 24 4.730 -5.050 1.623 194 HD22 LEU 24 HD22 LEU 24 3.640 -5.374 0.275 195 HD23 LEU 24 HD23 LEU 24 4.463 -6.708 1.080 196 H THR 25 HN THR 25 2.726 -8.480 5.576 197 HA THR 25 HA THR 25 4.294 -7.959 7.781 198 HB THR 25 HB THR 25 2.387 -10.279 7.337 199 HG1 THR 25 HG1 THR 25 1.973 -7.660 8.371 200 HG21 THR 25 HG21 THR 25 3.762 -10.617 9.354 201 HG22 THR 25 HG22 THR 25 2.089 -10.268 9.788 202 HG23 THR 25 HG23 THR 25 3.318 -9.010 9.929 203 H ALA 26 HN ALA 26 4.313 -10.828 5.668 204 HA ALA 26 HA ALA 26 6.194 -12.237 7.271 205 HB1 ALA 26 HB1 ALA 26 6.127 -13.934 5.553 206 HB2 ALA 26 HB2 ALA 26 5.299 -12.822 4.462 207 HB3 ALA 26 HB3 ALA 26 4.496 -13.382 5.926 208 H ASN 27 HN ASN 27 6.553 -9.797 5.024 209 HA ASN 27 HA ASN 27 9.306 -10.614 4.463 210 HB2 ASN 27 HB2 ASN 27 7.318 -9.067 2.898 211 HB3 ASN 27 HB1 ASN 27 9.039 -8.719 2.619 212 HD21 ASN 27 HD21 ASN 27 6.425 -10.927 2.218 213 HD22 ASN 27 HD22 ASN 27 7.239 -12.072 1.218 214 H ARG 28 HN ARG 28 7.999 -9.082 6.759 215 HA ARG 28 HA ARG 28 8.580 -7.543 8.295 216 HB2 ARG 28 HB2 ARG 28 11.161 -7.217 6.747 217 HB3 ARG 28 HB1 ARG 28 10.841 -6.521 8.316 218 HG2 ARG 28 HG2 ARG 28 10.533 -8.943 9.109 219 HG3 ARG 28 HG1 ARG 28 11.300 -9.383 7.581 220 HD2 ARG 28 HD2 ARG 28 12.460 -7.611 9.733 221 HD3 ARG 28 HD1 ARG 28 12.983 -9.240 9.322 222 HE ARG 28 HE ARG 28 13.467 -8.132 7.041 223 HH11 ARG 28 HH11 ARG 28 13.941 -6.559 10.215 224 HH12 ARG 28 HH12 ARG 28 15.234 -5.597 9.715 225 HH21 ARG 28 HH21 ARG 28 15.286 -6.764 6.350 226 HH22 ARG 28 HH22 ARG 28 16.028 -5.720 7.460 227 H ILE 29 HN ILE 29 7.356 -6.755 5.642 228 HA ILE 29 HA ILE 29 8.254 -4.017 5.443 229 HB ILE 29 HB ILE 29 6.071 -5.456 3.888 230 HG12 ILE 29 HG12 ILE 29 8.927 -4.802 3.091 231 HG13 ILE 29 HG11 ILE 29 8.337 -6.398 3.513 232 HG21 ILE 29 HG21 ILE 29 5.767 -3.028 3.963 233 HG22 ILE 29 HG22 ILE 29 6.247 -3.541 2.341 234 HG23 ILE 29 HG23 ILE 29 7.423 -2.792 3.419 235 HD11 ILE 29 HD11 ILE 29 8.539 -6.143 1.111 236 HD12 ILE 29 HD12 ILE 29 7.463 -4.747 1.150 237 HD13 ILE 29 HD13 ILE 29 6.847 -6.347 1.566 238 H ALA 30 HN ALA 30 7.428 -2.550 6.692 239 HA ALA 30 HA ALA 30 5.058 -3.072 8.244 240 HB1 ALA 30 HB1 ALA 30 5.651 -0.941 9.350 241 HB2 ALA 30 HB2 ALA 30 6.969 -0.740 8.190 242 HB3 ALA 30 HB3 ALA 30 6.994 -2.086 9.331 243 H TYR 31 HN TYR 31 3.149 -1.851 8.099 244 HA TYR 31 HA TYR 31 2.963 0.226 6.107 245 HB2 TYR 31 HB2 TYR 31 1.168 -0.836 4.855 246 HB3 TYR 31 HB1 TYR 31 2.653 -1.770 4.735 247 HD1 TYR 31 HD2 TYR 31 2.823 -3.959 5.949 248 HD2 TYR 31 HD1 TYR 31 -0.822 -1.761 5.805 249 HE1 TYR 31 HE2 TYR 31 1.584 -5.970 6.638 250 HE2 TYR 31 HE1 TYR 31 -2.063 -3.763 6.489 251 HH TYR 31 HH TYR 31 -0.524 -6.521 7.714 252 H ASP 32 HN ASP 32 1.120 1.492 6.312 253 HA ASP 32 HA ASP 32 -0.496 0.966 8.705 254 HB2 ASP 32 HB2 ASP 32 0.305 3.573 7.382 255 HB3 ASP 32 HB1 ASP 32 -0.969 3.467 8.582 256 H GLU 33 HN GLU 33 -2.445 0.204 8.104 257 HA GLU 33 HA GLU 33 -3.429 1.006 5.501 258 HB2 GLU 33 HB2 GLU 33 -5.059 -0.810 5.664 259 HB3 GLU 33 HB1 GLU 33 -3.467 -1.393 6.051 260 HG2 GLU 33 HG2 GLU 33 -4.021 -1.229 8.463 261 HG3 GLU 33 HG1 GLU 33 -5.672 -0.816 7.998 262 H VAL 34 HN VAL 34 -5.427 1.916 5.190 263 HA VAL 34 HA VAL 34 -5.918 3.897 7.247 264 HB VAL 34 HB VAL 34 -6.845 3.877 4.365 265 HG11 VAL 34 HG11 VAL 34 -7.193 6.270 4.624 266 HG12 VAL 34 HG12 VAL 34 -6.855 6.124 6.353 267 HG13 VAL 34 HG13 VAL 34 -8.251 5.295 5.643 268 HG21 VAL 34 HG21 VAL 34 -4.491 5.251 5.644 269 HG22 VAL 34 HG22 VAL 34 -5.016 5.455 3.971 270 HG23 VAL 34 HG23 VAL 34 -4.423 3.891 4.526 271 H ASP 35 HN ASP 35 -7.852 4.615 7.895 272 HA ASP 35 HA ASP 35 -9.775 3.045 9.038 273 HB2 ASP 35 HB2 ASP 35 -10.101 5.900 8.154 274 HB3 ASP 35 HB1 ASP 35 -10.942 5.089 9.462 275 H ILE 36 HN ILE 36 -9.682 3.478 5.726 276 HA ILE 36 HA ILE 36 -12.043 4.677 4.884 277 HB ILE 36 HB ILE 36 -11.804 3.583 2.727 278 HG12 ILE 36 HG12 ILE 36 -9.456 2.136 3.876 279 HG13 ILE 36 HG11 ILE 36 -11.047 1.373 3.798 280 HG21 ILE 36 HG21 ILE 36 -10.431 5.532 3.305 281 HG22 ILE 36 HG22 ILE 36 -9.601 4.432 2.205 282 HG23 ILE 36 HG23 ILE 36 -9.172 4.454 3.918 283 HD11 ILE 36 HD11 ILE 36 -11.056 1.618 1.391 284 HD12 ILE 36 HD12 ILE 36 -9.588 0.767 1.899 285 HD13 ILE 36 HD13 ILE 36 -9.537 2.489 1.475 286 H GLU 37 HN GLU 37 -11.854 1.477 6.148 287 HA GLU 37 HA GLU 37 -14.177 0.635 4.761 288 HB2 GLU 37 HB2 GLU 37 -14.068 -1.405 6.144 289 HB3 GLU 37 HB1 GLU 37 -12.549 -0.999 5.361 290 HG2 GLU 37 HG2 GLU 37 -11.859 -1.686 7.431 291 HG3 GLU 37 HG1 GLU 37 -11.954 0.060 7.641 292 H HIS 38 HN HIS 38 -13.716 2.556 7.414 293 HA HIS 38 HA HIS 38 -16.612 2.651 7.678 294 HB2 HIS 38 HB2 HIS 38 -16.431 3.298 10.079 295 HB3 HIS 38 HB1 HIS 38 -15.843 1.675 9.777 296 HD1 HIS 38 HD1 HIS 38 -13.335 1.243 10.230 297 HD2 HIS 38 HD2 HIS 38 -14.550 5.152 10.920 298 HE1 HIS 38 HE1 HIS 38 -11.469 2.341 11.527 299 H ASN 39 HN ASN 39 -13.589 4.420 7.613 300 HA ASN 39 HA ASN 39 -14.844 7.016 7.841 301 HB2 ASN 39 HB2 ASN 39 -12.519 6.713 8.577 302 HB3 ASN 39 HB1 ASN 39 -12.057 6.303 6.928 303 HD21 ASN 39 HD21 ASN 39 -10.813 7.959 6.338 304 HD22 ASN 39 HD22 ASN 39 -11.163 9.620 6.467 305 H ARG 40 HN ARG 40 -16.109 7.586 6.273 306 HA ARG 40 HA ARG 40 -15.833 6.752 3.591 307 HB2 ARG 40 HB2 ARG 40 -17.701 8.231 3.114 308 HB3 ARG 40 HB1 ARG 40 -17.992 7.293 4.569 309 HG2 ARG 40 HG2 ARG 40 -17.305 9.257 5.908 310 HG3 ARG 40 HG1 ARG 40 -17.209 10.187 4.415 311 HD2 ARG 40 HD2 ARG 40 -19.644 8.805 5.508 312 HD3 ARG 40 HD1 ARG 40 -19.342 10.541 5.512 313 HE ARG 40 HE ARG 40 -19.235 10.071 2.932 314 HH11 ARG 40 HH11 ARG 40 -21.560 8.825 5.327 315 HH12 ARG 40 HH12 ARG 40 -22.830 8.675 4.207 316 HH21 ARG 40 HH21 ARG 40 -21.013 9.859 1.414 317 HH22 ARG 40 HH22 ARG 40 -22.527 9.280 1.971 318 H ALA 41 HN ALA 41 -14.450 9.440 5.320 319 HA ALA 41 HA ALA 41 -14.203 11.073 3.023 320 HB1 ALA 41 HB1 ALA 41 -12.735 11.391 5.638 321 HB2 ALA 41 HB2 ALA 41 -14.285 12.101 5.224 322 HB3 ALA 41 HB3 ALA 41 -12.838 12.582 4.347 323 H ALA 42 HN ALA 42 -11.944 8.916 4.572 324 HA ALA 42 HA ALA 42 -9.952 9.510 2.576 325 HB1 ALA 42 HB1 ALA 42 -9.243 8.798 4.807 326 HB2 ALA 42 HB2 ALA 42 -8.662 7.672 3.579 327 HB3 ALA 42 HB3 ALA 42 -10.051 7.250 4.579 328 H ALA 43 HN ALA 43 -12.613 7.375 2.950 329 HA ALA 43 HA ALA 43 -11.899 5.461 0.989 330 HB1 ALA 43 HB1 ALA 43 -13.630 5.087 2.694 331 HB2 ALA 43 HB2 ALA 43 -14.248 4.809 1.059 332 HB3 ALA 43 HB3 ALA 43 -14.641 6.304 1.919 333 H GLU 44 HN GLU 44 -13.576 8.525 0.977 334 HA GLU 44 HA GLU 44 -14.402 8.667 -1.669 335 HB2 GLU 44 HB2 GLU 44 -15.029 10.233 0.163 336 HB3 GLU 44 HB1 GLU 44 -13.408 10.897 0.121 337 HG2 GLU 44 HG2 GLU 44 -14.973 12.349 -1.022 338 HG3 GLU 44 HG1 GLU 44 -13.799 11.685 -2.162 339 H PHE 45 HN PHE 45 -11.334 9.418 -0.119 340 HA PHE 45 HA PHE 45 -10.032 10.465 -2.397 341 HB2 PHE 45 HB2 PHE 45 -9.160 10.917 -0.149 342 HB3 PHE 45 HB1 PHE 45 -8.816 9.207 0.083 343 HD1 PHE 45 HD1 PHE 45 -7.997 12.017 -2.232 344 HD2 PHE 45 HD2 PHE 45 -6.680 8.433 -0.349 345 HE1 PHE 45 HE1 PHE 45 -5.756 12.337 -3.192 346 HE2 PHE 45 HE2 PHE 45 -4.439 8.749 -1.304 347 HZ PHE 45 HZ PHE 45 -3.975 10.699 -2.730 348 H VAL 46 HN VAL 46 -10.509 7.235 -1.226 349 HA VAL 46 HA VAL 46 -8.633 5.961 -2.883 350 HB VAL 46 HB VAL 46 -11.261 4.837 -1.821 351 HG11 VAL 46 HG11 VAL 46 -8.864 3.377 -2.928 352 HG12 VAL 46 HG12 VAL 46 -10.438 3.501 -3.704 353 HG13 VAL 46 HG13 VAL 46 -10.267 2.619 -2.178 354 HG21 VAL 46 HG21 VAL 46 -9.892 3.832 -0.087 355 HG22 VAL 46 HG22 VAL 46 -9.713 5.594 -0.083 356 HG23 VAL 46 HG23 VAL 46 -8.455 4.581 -0.775 357 H GLY 47 HN GLY 47 -11.955 6.995 -3.349 358 HA2 GLY 47 HA2 GLY 47 -12.201 5.897 -5.982 359 HA3 GLY 47 HA1 GLY 47 -13.316 7.020 -5.214 360 H SER 48 HN SER 48 -10.861 8.735 -4.633 361 HA SER 48 HA SER 48 -11.014 10.349 -6.982 362 HB2 SER 48 HB2 SER 48 -9.103 10.601 -4.651 363 HB3 SER 48 HB1 SER 48 -9.558 11.863 -5.795 364 HG SER 48 HG SER 48 -11.747 10.769 -4.655 365 H VAL 49 HN VAL 49 -8.770 7.979 -5.670 366 HA VAL 49 HA VAL 49 -6.893 8.560 -7.828 367 HB VAL 49 HB VAL 49 -5.277 7.090 -6.688 368 HG11 VAL 49 HG11 VAL 49 -6.466 9.204 -4.912 369 HG12 VAL 49 HG12 VAL 49 -5.273 9.454 -6.181 370 HG13 VAL 49 HG13 VAL 49 -4.852 8.519 -4.743 371 HG21 VAL 49 HG21 VAL 49 -5.731 6.255 -4.416 372 HG22 VAL 49 HG22 VAL 49 -6.819 5.536 -5.602 373 HG23 VAL 49 HG23 VAL 49 -7.395 6.827 -4.549 374 H ASN 50 HN ASN 50 -9.385 6.434 -7.187 375 HA ASN 50 HA ASN 50 -8.489 4.774 -9.425 376 HB2 ASN 50 HB2 ASN 50 -10.126 3.844 -7.044 377 HB3 ASN 50 HB1 ASN 50 -9.904 2.912 -8.512 378 HD21 ASN 50 HD21 ASN 50 -8.596 3.826 -5.526 379 HD22 ASN 50 HD22 ASN 50 -7.173 2.838 -5.603 380 H GLY 51 HN GLY 51 -9.585 5.485 -11.041 381 HA2 GLY 51 HA2 GLY 51 -12.008 6.931 -10.753 382 HA3 GLY 51 HA1 GLY 51 -11.238 6.469 -12.259 383 H GLY 52 HN GLY 52 -14.012 6.370 -10.945 384 HA2 GLY 52 HA2 GLY 52 -15.887 5.243 -11.702 385 HA3 GLY 52 HA1 GLY 52 -14.841 4.047 -12.443 386 H ASN 53 HN ASN 53 -13.502 2.913 -10.550 387 HA ASN 53 HA ASN 53 -15.513 1.942 -8.623 388 HB2 ASN 53 HB2 ASN 53 -15.246 0.381 -10.509 389 HB3 ASN 53 HB1 ASN 53 -13.522 0.293 -10.178 390 HD21 ASN 53 HD21 ASN 53 -16.659 -0.621 -9.178 391 HD22 ASN 53 HD22 ASN 53 -16.207 -1.820 -8.022 392 H ARG 54 HN ARG 54 -14.795 1.802 -6.572 393 HA ARG 54 HA ARG 54 -12.171 2.666 -5.944 394 HB2 ARG 54 HB2 ARG 54 -14.450 1.648 -4.285 395 HB3 ARG 54 HB1 ARG 54 -12.868 1.844 -3.567 396 HG2 ARG 54 HG2 ARG 54 -12.903 4.225 -4.197 397 HG3 ARG 54 HG1 ARG 54 -14.517 4.010 -4.870 398 HD2 ARG 54 HD2 ARG 54 -13.800 3.389 -2.013 399 HD3 ARG 54 HD1 ARG 54 -14.416 4.952 -2.537 400 HE ARG 54 HE ARG 54 -16.356 3.602 -3.407 401 HH11 ARG 54 HH11 ARG 54 -14.537 2.444 -0.568 402 HH12 ARG 54 HH12 ARG 54 -15.896 1.945 0.278 403 HH21 ARG 54 HH21 ARG 54 -18.257 2.810 -2.235 404 HH22 ARG 54 HH22 ARG 54 -18.054 2.105 -0.703 405 H THR 55 HN THR 55 -10.677 1.399 -6.735 406 HA THR 55 HA THR 55 -10.676 -1.444 -6.440 407 HB THR 55 HB THR 55 -8.346 0.380 -7.093 408 HG1 THR 55 HG1 THR 55 -10.656 0.147 -8.361 409 HG21 THR 55 HG21 THR 55 -9.021 -2.482 -7.847 410 HG22 THR 55 HG22 THR 55 -7.807 -1.987 -6.669 411 HG23 THR 55 HG23 THR 55 -7.590 -1.598 -8.377 412 H VAL 56 HN VAL 56 -9.846 -2.540 -4.702 413 HA VAL 56 HA VAL 56 -8.825 -0.817 -3.132 414 HB VAL 56 HB VAL 56 -8.955 -2.155 -0.927 415 HG11 VAL 56 HG11 VAL 56 -9.407 0.056 -1.296 416 HG12 VAL 56 HG12 VAL 56 -10.825 -0.661 -0.511 417 HG13 VAL 56 HG13 VAL 56 -10.862 -0.262 -2.250 418 HG21 VAL 56 HG21 VAL 56 -11.258 -2.985 -2.660 419 HG22 VAL 56 HG22 VAL 56 -11.281 -2.924 -0.883 420 HG23 VAL 56 HG23 VAL 56 -10.113 -3.961 -1.700 421 HA PRO 57 HA PRO 57 -5.564 -2.120 -1.299 422 HB2 PRO 57 HB2 PRO 57 -3.489 -3.583 -2.427 423 HB3 PRO 57 HB1 PRO 57 -4.777 -4.255 -1.416 424 HG2 PRO 57 HG2 PRO 57 -4.610 -4.070 -4.394 425 HG3 PRO 57 HG1 PRO 57 -5.136 -5.447 -3.397 426 HD2 PRO 57 HD2 PRO 57 -6.890 -3.766 -4.610 427 HD3 PRO 57 HD1 PRO 57 -7.173 -4.604 -3.053 428 H THR 58 HN THR 58 -5.096 0.046 -1.792 429 HA THR 58 HA THR 58 -3.371 0.717 -4.056 430 HB THR 58 HB THR 58 -5.359 2.563 -2.702 431 HG1 THR 58 HG1 THR 58 -6.545 0.803 -3.600 432 HG21 THR 58 HG21 THR 58 -3.627 3.603 -4.134 433 HG22 THR 58 HG22 THR 58 -5.261 3.733 -4.833 434 HG23 THR 58 HG23 THR 58 -4.146 2.536 -5.453 435 H VAL 59 HN VAL 59 -1.427 1.161 -3.298 436 HA VAL 59 HA VAL 59 -1.172 2.109 -0.548 437 HB VAL 59 HB VAL 59 -0.027 -0.002 -0.854 438 HG11 VAL 59 HG11 VAL 59 1.298 1.295 -3.171 439 HG12 VAL 59 HG12 VAL 59 0.147 -0.038 -3.205 440 HG13 VAL 59 HG13 VAL 59 1.761 -0.279 -2.501 441 HG21 VAL 59 HG21 VAL 59 2.279 0.565 -0.280 442 HG22 VAL 59 HG22 VAL 59 1.169 1.663 0.548 443 HG23 VAL 59 HG23 VAL 59 2.040 2.202 -0.882 444 H LYS 60 HN LYS 60 -0.268 3.928 -0.077 445 HA LYS 60 HA LYS 60 0.755 5.630 -2.224 446 HB2 LYS 60 HB2 LYS 60 -1.257 6.462 -1.069 447 HB3 LYS 60 HB1 LYS 60 -0.460 6.256 0.472 448 HG2 LYS 60 HG2 LYS 60 1.060 8.048 -0.045 449 HG3 LYS 60 HG1 LYS 60 0.384 8.180 -1.673 450 HD2 LYS 60 HD2 LYS 60 -1.806 8.720 -0.730 451 HD3 LYS 60 HD1 LYS 60 -1.145 8.586 0.894 452 HE2 LYS 60 HE2 LYS 60 -0.175 10.508 -1.190 453 HE3 LYS 60 HE1 LYS 60 -1.376 10.914 0.036 454 HZ1 LYS 60 HZ1 LYS 60 0.291 10.439 1.749 455 HZ2 LYS 60 HZ2 LYS 60 0.825 11.637 0.679 456 HZ3 LYS 60 HZ3 LYS 60 1.450 10.100 0.565 457 H PHE 61 HN PHE 61 2.881 5.744 -2.211 458 HA PHE 61 HA PHE 61 4.415 5.206 0.244 459 HB2 PHE 61 HB2 PHE 61 5.290 5.351 -2.673 460 HB3 PHE 61 HB1 PHE 61 6.401 5.098 -1.324 461 HD1 PHE 61 HD2 PHE 61 3.850 3.739 -3.519 462 HD2 PHE 61 HD1 PHE 61 6.505 2.835 -0.269 463 HE1 PHE 61 HE2 PHE 61 3.528 1.342 -3.900 464 HE2 PHE 61 HE1 PHE 61 6.118 0.438 -0.673 465 HZ PHE 61 HZ PHE 61 4.648 -0.294 -2.472 466 H ALA 62 HN ALA 62 6.541 6.579 0.227 467 HA ALA 62 HA ALA 62 6.012 9.358 0.415 468 HB1 ALA 62 HB1 ALA 62 8.692 7.970 0.190 469 HB2 ALA 62 HB2 ALA 62 7.803 8.228 1.693 470 HB3 ALA 62 HB3 ALA 62 8.423 9.608 0.787 471 H ASP 63 HN ASP 63 6.501 7.425 -2.140 472 HA ASP 63 HA ASP 63 7.805 8.893 -4.156 473 HB2 ASP 63 HB2 ASP 63 7.353 6.518 -4.341 474 HB3 ASP 63 HB1 ASP 63 5.636 6.795 -4.146 475 H GLY 64 HN GLY 64 4.676 9.218 -2.665 476 HA2 GLY 64 HA2 GLY 64 3.315 11.084 -2.749 477 HA3 GLY 64 HA1 GLY 64 4.150 11.619 -4.197 478 H SER 65 HN SER 65 3.709 8.865 -5.358 479 HA SER 65 HA SER 65 0.981 9.380 -6.216 480 HB2 SER 65 HB2 SER 65 2.785 9.278 -7.955 481 HB3 SER 65 HB1 SER 65 3.112 7.618 -7.472 482 HG SER 65 HG SER 65 1.612 8.213 -9.332 483 H THR 66 HN THR 66 -0.128 7.234 -6.816 484 HA THR 66 HA THR 66 0.137 5.458 -4.512 485 HB THR 66 HB THR 66 -2.334 4.985 -4.996 486 HG1 THR 66 HG1 THR 66 -3.073 5.951 -6.710 487 HG21 THR 66 HG21 THR 66 -1.616 6.310 -3.067 488 HG22 THR 66 HG22 THR 66 -3.105 6.970 -3.747 489 HG23 THR 66 HG23 THR 66 -1.557 7.758 -4.069 490 H LEU 67 HN LEU 67 0.139 3.321 -4.899 491 HA LEU 67 HA LEU 67 0.124 2.539 -7.704 492 HB2 LEU 67 HB2 LEU 67 2.321 2.355 -6.571 493 HB3 LEU 67 HB1 LEU 67 1.602 1.296 -5.385 494 HG LEU 67 HG LEU 67 1.226 -0.408 -7.131 495 HD11 LEU 67 HD11 LEU 67 0.976 0.961 -9.107 496 HD12 LEU 67 HD12 LEU 67 2.376 -0.088 -9.319 497 HD13 LEU 67 HD13 LEU 67 2.599 1.606 -8.889 498 HD21 LEU 67 HD21 LEU 67 3.268 -0.445 -5.814 499 HD22 LEU 67 HD22 LEU 67 4.015 0.665 -6.962 500 HD23 LEU 67 HD23 LEU 67 3.591 -0.973 -7.474 501 H THR 68 HN THR 68 -1.413 1.092 -8.233 502 HA THR 68 HA THR 68 -3.061 0.082 -6.032 503 HB THR 68 HB THR 68 -3.920 0.232 -8.922 504 HG1 THR 68 HG1 THR 68 -3.045 2.242 -7.680 505 HG21 THR 68 HG21 THR 68 -6.121 0.409 -7.917 506 HG22 THR 68 HG22 THR 68 -5.413 0.552 -6.320 507 HG23 THR 68 HG23 THR 68 -5.298 -0.975 -7.185 508 H ASN 69 HN ASN 69 -3.594 -2.069 -5.975 509 HA ASN 69 HA ASN 69 -3.182 -4.266 -6.034 510 HB2 ASN 69 HB2 ASN 69 -3.581 -5.479 -8.167 511 HB3 ASN 69 HB1 ASN 69 -4.772 -4.224 -7.919 512 HD21 ASN 69 HD21 ASN 69 -4.892 -2.542 -9.440 513 HD22 ASN 69 HD22 ASN 69 -4.007 -2.537 -10.906 514 HA PRO 70 HA PRO 70 1.330 -3.827 -7.276 515 HB2 PRO 70 HB2 PRO 70 2.512 -3.269 -4.994 516 HB3 PRO 70 HB1 PRO 70 1.627 -2.000 -5.854 517 HG2 PRO 70 HG2 PRO 70 0.718 -3.700 -3.558 518 HG3 PRO 70 HG1 PRO 70 0.629 -1.934 -3.722 519 HD2 PRO 70 HD2 PRO 70 -1.469 -3.573 -4.278 520 HD3 PRO 70 HD1 PRO 70 -1.184 -2.036 -5.128 521 H SER 71 HN SER 71 3.000 -5.269 -6.884 522 HA SER 71 HA SER 71 2.294 -7.660 -5.393 523 HB2 SER 71 HB2 SER 71 4.710 -7.155 -7.136 524 HB3 SER 71 HB1 SER 71 3.950 -8.698 -6.729 525 HG SER 71 HG SER 71 3.073 -6.676 -8.445 526 H ALA 72 HN ALA 72 3.942 -8.499 -3.839 527 HA ALA 72 HA ALA 72 4.749 -6.548 -1.987 528 HB1 ALA 72 HB1 ALA 72 5.694 -9.410 -2.199 529 HB2 ALA 72 HB2 ALA 72 4.228 -8.874 -1.377 530 HB3 ALA 72 HB3 ALA 72 5.811 -8.379 -0.772 531 H ASP 73 HN ASP 73 6.493 -8.194 -4.502 532 HA ASP 73 HA ASP 73 9.108 -7.394 -3.850 533 HB2 ASP 73 HB2 ASP 73 8.766 -9.135 -5.480 534 HB3 ASP 73 HB1 ASP 73 7.877 -8.035 -6.529 535 H GLU 74 HN GLU 74 6.661 -5.875 -5.859 536 HA GLU 74 HA GLU 74 8.212 -3.709 -6.811 537 HB2 GLU 74 HB2 GLU 74 5.230 -3.848 -6.373 538 HB3 GLU 74 HB1 GLU 74 6.076 -2.680 -7.375 539 HG2 GLU 74 HG2 GLU 74 6.803 -4.451 -8.850 540 HG3 GLU 74 HG1 GLU 74 5.984 -5.646 -7.844 541 H VAL 75 HN VAL 75 6.095 -4.158 -4.065 542 HA VAL 75 HA VAL 75 6.118 -1.579 -3.005 543 HB VAL 75 HB VAL 75 5.942 -4.240 -1.545 544 HG11 VAL 75 HG11 VAL 75 6.553 -2.442 -0.007 545 HG12 VAL 75 HG12 VAL 75 4.910 -3.014 0.285 546 HG13 VAL 75 HG13 VAL 75 5.174 -1.492 -0.563 547 HG21 VAL 75 HG21 VAL 75 3.525 -3.829 -1.550 548 HG22 VAL 75 HG22 VAL 75 4.174 -3.937 -3.190 549 HG23 VAL 75 HG23 VAL 75 3.777 -2.365 -2.498 550 H LYS 76 HN LYS 76 8.202 -4.331 -2.259 551 HA LYS 76 HA LYS 76 9.895 -3.031 -0.457 552 HB2 LYS 76 HB2 LYS 76 9.786 -5.454 -0.604 553 HB3 LYS 76 HB1 LYS 76 10.413 -5.413 -2.241 554 HG2 LYS 76 HG2 LYS 76 12.553 -4.641 -1.453 555 HG3 LYS 76 HG1 LYS 76 11.947 -4.531 0.206 556 HD2 LYS 76 HD2 LYS 76 11.547 -6.961 0.187 557 HD3 LYS 76 HD1 LYS 76 12.174 -7.043 -1.459 558 HE2 LYS 76 HE2 LYS 76 13.745 -6.096 0.943 559 HE3 LYS 76 HE1 LYS 76 13.829 -7.718 0.263 560 HZ1 LYS 76 HZ1 LYS 76 14.650 -6.788 -1.791 561 HZ2 LYS 76 HZ2 LYS 76 15.638 -6.365 -0.525 562 HZ3 LYS 76 HZ3 LYS 76 14.595 -5.218 -1.191 563 H ALA 77 HN ALA 77 10.163 -3.443 -3.963 564 HA ALA 77 HA ALA 77 12.741 -2.283 -4.200 565 HB1 ALA 77 HB1 ALA 77 12.300 -2.241 -6.594 566 HB2 ALA 77 HB2 ALA 77 10.587 -2.545 -6.300 567 HB3 ALA 77 HB3 ALA 77 11.784 -3.778 -5.900 568 H LYS 78 HN LYS 78 9.481 -0.909 -4.405 569 HA LYS 78 HA LYS 78 10.360 1.701 -5.199 570 HB2 LYS 78 HB2 LYS 78 7.844 0.811 -3.769 571 HB3 LYS 78 HB1 LYS 78 8.132 2.466 -4.244 572 HG2 LYS 78 HG2 LYS 78 7.959 0.142 -6.156 573 HG3 LYS 78 HG1 LYS 78 6.606 1.172 -5.692 574 HD2 LYS 78 HD2 LYS 78 9.112 2.054 -7.135 575 HD3 LYS 78 HD1 LYS 78 7.537 1.834 -7.866 576 HE2 LYS 78 HE2 LYS 78 6.621 3.613 -6.372 577 HE3 LYS 78 HE1 LYS 78 8.248 3.884 -5.754 578 HZ1 LYS 78 HZ1 LYS 78 7.365 4.272 -8.565 579 HZ2 LYS 78 HZ2 LYS 78 8.939 4.557 -8.010 580 HZ3 LYS 78 HZ3 LYS 78 7.669 5.495 -7.451 581 H LEU 79 HN LEU 79 9.767 0.131 -2.122 582 HA LEU 79 HA LEU 79 9.901 2.392 -0.493 583 HB2 LEU 79 HB2 LEU 79 9.346 -0.238 -0.097 584 HB3 LEU 79 HB1 LEU 79 10.945 -0.148 0.572 585 HG LEU 79 HG LEU 79 8.614 1.523 1.495 586 HD11 LEU 79 HD11 LEU 79 8.705 0.146 3.496 587 HD12 LEU 79 HD12 LEU 79 9.898 -0.901 2.705 588 HD13 LEU 79 HD13 LEU 79 8.263 -0.724 2.033 589 HD21 LEU 79 HD21 LEU 79 11.401 1.265 2.642 590 HD22 LEU 79 HD22 LEU 79 10.036 2.121 3.379 591 HD23 LEU 79 HD23 LEU 79 10.702 2.691 1.859 592 H VAL 80 HN VAL 80 12.386 0.014 -1.375 593 HA VAL 80 HA VAL 80 14.413 1.224 0.124 594 HB VAL 80 HB VAL 80 16.046 -0.108 -1.247 595 HG11 VAL 80 HG11 VAL 80 15.266 -2.296 -0.504 596 HG12 VAL 80 HG12 VAL 80 13.668 -1.608 -0.192 597 HG13 VAL 80 HG13 VAL 80 15.062 -1.064 0.741 598 HG21 VAL 80 HG21 VAL 80 13.567 -0.969 -2.633 599 HG22 VAL 80 HG22 VAL 80 15.155 -1.745 -2.825 600 HG23 VAL 80 HG23 VAL 80 14.901 -0.078 -3.369 601 H LYS 81 HN LYS 81 13.369 1.856 -3.135 602 HA LYS 81 HA LYS 81 15.649 3.537 -3.540 603 HB2 LYS 81 HB2 LYS 81 14.877 3.937 -5.767 604 HB3 LYS 81 HB1 LYS 81 14.566 2.249 -5.391 605 HG2 LYS 81 HG2 LYS 81 12.285 2.676 -5.023 606 HG3 LYS 81 HG1 LYS 81 12.507 4.396 -5.298 607 HD2 LYS 81 HD2 LYS 81 13.089 2.260 -7.383 608 HD3 LYS 81 HD1 LYS 81 11.588 3.165 -7.293 609 HE2 LYS 81 HE2 LYS 81 12.886 4.172 -8.996 610 HE3 LYS 81 HE1 LYS 81 12.919 5.259 -7.622 611 HZ1 LYS 81 HZ1 LYS 81 15.122 3.356 -8.234 612 HZ2 LYS 81 HZ2 LYS 81 15.210 4.722 -7.217 613 HZ3 LYS 81 HZ3 LYS 81 15.045 4.890 -8.852 614 H ILE 82 HN ILE 82 12.318 4.039 -2.488 615 HA ILE 82 HA ILE 82 12.633 6.846 -2.863 616 HB ILE 82 HB ILE 82 10.502 7.214 -1.631 617 HG12 ILE 82 HG12 ILE 82 9.002 5.147 -1.288 618 HG13 ILE 82 HG11 ILE 82 10.476 4.199 -1.355 619 HG21 ILE 82 HG21 ILE 82 10.463 7.009 -3.992 620 HG22 ILE 82 HG22 ILE 82 9.035 6.229 -3.304 621 HG23 ILE 82 HG23 ILE 82 10.380 5.249 -3.882 622 HD11 ILE 82 HD11 ILE 82 9.731 4.586 0.938 623 HD12 ILE 82 HD12 ILE 82 9.851 6.330 0.689 624 HD13 ILE 82 HD13 ILE 82 11.299 5.331 0.635 625 H ALA 83 HN ALA 83 13.488 4.707 -0.454 626 HA ALA 83 HA ALA 83 13.894 6.738 1.560 627 HB1 ALA 83 HB1 ALA 83 13.289 4.446 2.208 628 HB2 ALA 83 HB2 ALA 83 14.857 4.907 2.868 629 HB3 ALA 83 HB3 ALA 83 14.773 3.845 1.465 630 H GLY 84 HN GLY 84 15.297 6.177 -1.258 631 HA2 GLY 84 HA2 GLY 84 17.208 7.308 -2.004 632 HA3 GLY 84 HA1 GLY 84 17.889 7.181 -0.381 633 H LEU 85 HN LEU 85 19.221 5.655 0.025 634 HA LEU 85 HA LEU 85 19.019 3.109 -1.368 635 HB2 LEU 85 HB2 LEU 85 21.539 4.759 -1.086 636 HB3 LEU 85 HB1 LEU 85 21.584 3.033 -1.371 637 HG LEU 85 HG LEU 85 20.403 5.096 -3.246 638 HD11 LEU 85 HD11 LEU 85 22.847 5.165 -3.147 639 HD12 LEU 85 HD12 LEU 85 22.286 4.519 -4.688 640 HD13 LEU 85 HD13 LEU 85 22.906 3.432 -3.448 641 HD21 LEU 85 HD21 LEU 85 20.223 3.214 -4.823 642 HD22 LEU 85 HD22 LEU 85 19.207 2.983 -3.406 643 HD23 LEU 85 HD23 LEU 85 20.737 2.110 -3.549 644 H GLU 86 HN GLU 86 18.346 4.359 1.196 645 HA GLU 86 HA GLU 86 20.031 2.875 3.057 646 HB2 GLU 86 HB2 GLU 86 17.833 4.873 3.578 647 HB3 GLU 86 HB1 GLU 86 18.922 4.190 4.781 648 HG2 GLU 86 HG2 GLU 86 19.641 6.057 2.536 649 HG3 GLU 86 HG1 GLU 86 19.583 6.441 4.255 650 H HIS 87 HN HIS 87 19.094 1.298 4.393 651 HA HIS 87 HA HIS 87 17.840 -0.448 4.897 652 HB2 HIS 87 HB2 HIS 87 15.586 1.238 3.802 653 HB3 HIS 87 HB1 HIS 87 15.299 -0.460 4.162 654 HD1 HIS 87 HD1 HIS 87 14.341 2.422 5.749 655 HD2 HIS 87 HD2 HIS 87 16.817 -0.694 6.981 656 HE1 HIS 87 HE1 HIS 87 14.265 2.417 8.242 657 H HIS 88 HN HIS 88 19.034 0.208 2.236 658 HA HIS 88 HA HIS 88 18.041 -2.136 0.803 659 HB2 HIS 88 HB2 HIS 88 17.910 -0.018 -0.501 660 HB3 HIS 88 HB1 HIS 88 19.620 0.246 -0.230 661 HD1 HIS 88 HD1 HIS 88 21.152 -0.646 -2.014 662 HD2 HIS 88 HD2 HIS 88 17.423 -2.472 -2.063 663 HE1 HIS 88 HE1 HIS 88 21.155 -2.182 -4.002 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 2.307 10.617 12.525 2 H2 MET 1 HT2 MET 1 2.888 9.570 13.719 3 H3 MET 1 HT3 MET 1 1.461 10.419 13.970 4 HA MET 1 HA MET 1 1.002 8.143 13.496 5 HB2 MET 1 HB2 MET 1 -0.674 8.442 11.830 6 HB3 MET 1 HB1 MET 1 -0.566 9.953 12.706 7 HG2 MET 1 HG2 MET 1 0.596 9.384 9.982 8 HG3 MET 1 HG1 MET 1 -0.843 10.335 10.319 9 HE1 MET 1 HE1 MET 1 1.525 11.400 8.472 10 HE2 MET 1 HE2 MET 1 1.633 13.061 9.056 11 HE3 MET 1 HE3 MET 1 0.056 12.302 8.853 12 H VAL 2 HN VAL 2 3.597 9.381 11.668 13 HA VAL 2 HA VAL 2 3.408 7.420 9.587 14 HB VAL 2 HB VAL 2 5.800 9.156 10.278 15 HG11 VAL 2 HG11 VAL 2 6.310 7.300 8.796 16 HG12 VAL 2 HG12 VAL 2 6.443 8.837 7.944 17 HG13 VAL 2 HG13 VAL 2 5.033 7.811 7.690 18 HG21 VAL 2 HG21 VAL 2 3.539 9.795 8.383 19 HG22 VAL 2 HG22 VAL 2 5.018 10.739 8.567 20 HG23 VAL 2 HG23 VAL 2 3.880 10.610 9.906 21 H THR 3 HN THR 3 3.194 5.756 11.181 22 HA THR 3 HA THR 3 5.493 4.963 12.715 23 HB THR 3 HB THR 3 2.930 3.440 12.155 24 HG1 THR 3 HG1 THR 3 1.995 4.857 13.439 25 HG21 THR 3 HG21 THR 3 4.726 2.091 13.196 26 HG22 THR 3 HG22 THR 3 3.403 2.376 14.327 27 HG23 THR 3 HG23 THR 3 4.894 3.306 14.465 28 H ALA 4 HN ALA 4 4.274 4.430 9.556 29 HA ALA 4 HA ALA 4 6.314 2.406 9.070 30 HB1 ALA 4 HB1 ALA 4 4.774 1.157 7.694 31 HB2 ALA 4 HB2 ALA 4 3.471 2.289 8.084 32 HB3 ALA 4 HB3 ALA 4 4.163 1.262 9.345 33 H ALA 5 HN ALA 5 6.771 2.251 6.699 34 HA ALA 5 HA ALA 5 6.740 4.948 5.576 35 HB1 ALA 5 HB1 ALA 5 8.340 2.528 4.744 36 HB2 ALA 5 HB2 ALA 5 8.902 3.812 5.814 37 HB3 ALA 5 HB3 ALA 5 8.536 4.168 4.128 38 H LEU 6 HN LEU 6 4.765 2.386 5.382 39 HA LEU 6 HA LEU 6 4.094 2.937 2.587 40 HB2 LEU 6 HB2 LEU 6 5.293 0.700 2.994 41 HB3 LEU 6 HB1 LEU 6 3.839 0.238 3.870 42 HG LEU 6 HG LEU 6 2.563 0.643 1.791 43 HD11 LEU 6 HD11 LEU 6 5.337 0.882 0.674 44 HD12 LEU 6 HD12 LEU 6 4.089 2.136 0.692 45 HD13 LEU 6 HD13 LEU 6 3.874 0.688 -0.279 46 HD21 LEU 6 HD21 LEU 6 3.296 -1.431 0.742 47 HD22 LEU 6 HD22 LEU 6 3.232 -1.597 2.496 48 HD23 LEU 6 HD23 LEU 6 4.784 -1.387 1.682 49 H THR 7 HN THR 7 1.949 3.392 2.381 50 HA THR 7 HA THR 7 0.189 2.777 4.641 51 HB THR 7 HB THR 7 -0.004 4.950 2.543 52 HG1 THR 7 HG1 THR 7 0.854 4.902 5.242 53 HG21 THR 7 HG21 THR 7 -2.187 4.240 3.404 54 HG22 THR 7 HG22 THR 7 -1.780 5.859 3.965 55 HG23 THR 7 HG23 THR 7 -1.616 4.483 5.054 56 H ILE 8 HN ILE 8 -1.396 1.348 4.184 57 HA ILE 8 HA ILE 8 -2.047 0.797 1.364 58 HB ILE 8 HB ILE 8 -1.859 -1.162 3.676 59 HG12 ILE 8 HG12 ILE 8 -0.368 -1.004 1.059 60 HG13 ILE 8 HG11 ILE 8 0.282 -0.590 2.640 61 HG21 ILE 8 HG21 ILE 8 -3.798 -1.689 2.360 62 HG22 ILE 8 HG22 ILE 8 -2.561 -2.934 2.148 63 HG23 ILE 8 HG23 ILE 8 -2.852 -1.759 0.868 64 HD11 ILE 8 HD11 ILE 8 1.049 -2.747 1.914 65 HD12 ILE 8 HD12 ILE 8 -0.613 -3.319 1.743 66 HD13 ILE 8 HD13 ILE 8 0.027 -2.916 3.338 67 H TYR 9 HN TYR 9 -4.188 0.492 0.886 68 HA TYR 9 HA TYR 9 -6.049 1.355 2.947 69 HB2 TYR 9 HB2 TYR 9 -6.300 1.198 -0.066 70 HB3 TYR 9 HB1 TYR 9 -7.557 1.784 1.022 71 HD1 TYR 9 HD2 TYR 9 -4.270 2.529 -0.438 72 HD2 TYR 9 HD1 TYR 9 -7.375 3.968 2.063 73 HE1 TYR 9 HE2 TYR 9 -3.257 4.759 -0.491 74 HE2 TYR 9 HE1 TYR 9 -6.370 6.215 2.019 75 HH TYR 9 HH TYR 9 -4.119 7.198 1.631 76 H THR 10 HN THR 10 -7.644 -0.024 3.754 77 HA THR 10 HA THR 10 -7.973 -2.597 2.435 78 HB THR 10 HB THR 10 -7.897 -3.624 4.752 79 HG1 THR 10 HG1 THR 10 -6.779 -2.429 6.349 80 HG21 THR 10 HG21 THR 10 -6.131 -4.034 3.098 81 HG22 THR 10 HG22 THR 10 -5.442 -3.898 4.714 82 HG23 THR 10 HG23 THR 10 -5.319 -2.546 3.588 83 H THR 11 HN THR 11 -9.907 -3.734 3.009 84 HA THR 11 HA THR 11 -11.856 -2.514 4.757 85 HB THR 11 HB THR 11 -13.629 -3.052 3.032 86 HG1 THR 11 HG1 THR 11 -11.688 -2.855 1.041 87 HG21 THR 11 HG21 THR 11 -11.694 -0.869 2.224 88 HG22 THR 11 HG22 THR 11 -13.057 -0.711 3.350 89 HG23 THR 11 HG23 THR 11 -13.353 -1.033 1.648 90 H SER 12 HN SER 12 -13.550 -4.207 5.191 91 HA SER 12 HA SER 12 -12.365 -6.835 5.260 92 HB2 SER 12 HB2 SER 12 -14.436 -7.376 6.570 93 HB3 SER 12 HB1 SER 12 -13.476 -6.048 7.225 94 HG SER 12 HG SER 12 -14.926 -4.578 6.360 95 H TRP 13 HN TRP 13 -13.924 -5.257 2.895 96 HA TRP 13 HA TRP 13 -15.862 -7.318 2.130 97 HB2 TRP 13 HB2 TRP 13 -15.231 -4.845 0.522 98 HB3 TRP 13 HB1 TRP 13 -16.730 -5.751 0.592 99 HD1 TRP 13 HD1 TRP 13 -17.097 -5.663 3.790 100 HE1 TRP 13 HE1 TRP 13 -17.735 -3.451 4.901 101 HE3 TRP 13 HE3 TRP 13 -15.637 -2.469 0.088 102 HZ2 TRP 13 HZ2 TRP 13 -17.663 -0.685 4.277 103 HZ3 TRP 13 HZ3 TRP 13 -15.961 -0.052 0.422 104 HH2 TRP 13 HH2 TRP 13 -16.956 0.814 2.470 105 H CYS 14 HN CYS 14 -12.953 -7.834 2.018 106 HA CYS 14 HA CYS 14 -12.524 -8.171 -0.831 107 HB2 CYS 14 HB2 CYS 14 -11.756 -6.011 -0.615 108 HB3 CYS 14 HB1 CYS 14 -11.033 -6.309 0.960 109 H GLY 15 HN GLY 15 -10.938 -9.650 -1.330 110 HA2 GLY 15 HA2 GLY 15 -9.635 -11.057 0.911 111 HA3 GLY 15 HA1 GLY 15 -10.330 -11.901 -0.474 112 H TYR 16 HN TYR 16 -9.404 -9.802 -2.339 113 HA TYR 16 HA TYR 16 -6.956 -10.961 -3.099 114 HB2 TYR 16 HB2 TYR 16 -8.519 -9.969 -4.716 115 HB3 TYR 16 HB1 TYR 16 -8.271 -8.384 -4.007 116 HD1 TYR 16 HD1 TYR 16 -6.514 -11.120 -5.810 117 HD2 TYR 16 HD2 TYR 16 -6.580 -6.991 -4.827 118 HE1 TYR 16 HE1 TYR 16 -4.694 -10.721 -7.411 119 HE2 TYR 16 HE2 TYR 16 -4.749 -6.571 -6.425 120 HH TYR 16 HH TYR 16 -3.830 -8.826 -8.740 121 H CYS 17 HN CYS 17 -7.759 -8.043 -1.342 122 HA CYS 17 HA CYS 17 -5.322 -6.773 -1.358 123 HB2 CYS 17 HB2 CYS 17 -6.250 -5.861 0.936 124 HB3 CYS 17 HB1 CYS 17 -7.075 -5.446 -0.557 125 H LEU 18 HN LEU 18 -6.564 -9.422 0.556 126 HA LEU 18 HA LEU 18 -4.776 -9.341 2.724 127 HB2 LEU 18 HB2 LEU 18 -6.373 -11.626 1.635 128 HB3 LEU 18 HB1 LEU 18 -5.562 -11.601 3.191 129 HG LEU 18 HG LEU 18 -7.861 -9.840 2.350 130 HD11 LEU 18 HD11 LEU 18 -8.482 -12.117 2.796 131 HD12 LEU 18 HD12 LEU 18 -9.048 -11.052 4.104 132 HD13 LEU 18 HD13 LEU 18 -7.590 -12.046 4.318 133 HD21 LEU 18 HD21 LEU 18 -6.352 -9.942 4.969 134 HD22 LEU 18 HD22 LEU 18 -7.845 -9.054 4.687 135 HD23 LEU 18 HD23 LEU 18 -6.380 -8.590 3.833 136 H ARG 19 HN ARG 19 -4.587 -10.724 -0.456 137 HA ARG 19 HA ARG 19 -2.515 -12.589 -0.096 138 HB2 ARG 19 HB2 ARG 19 -3.828 -12.408 -2.181 139 HB3 ARG 19 HB1 ARG 19 -3.081 -10.853 -2.509 140 HG2 ARG 19 HG2 ARG 19 -0.851 -12.106 -2.430 141 HG3 ARG 19 HG1 ARG 19 -1.819 -13.572 -2.546 142 HD2 ARG 19 HD2 ARG 19 -1.821 -11.276 -4.492 143 HD3 ARG 19 HD1 ARG 19 -1.031 -12.831 -4.739 144 HE ARG 19 HE ARG 19 -3.785 -13.193 -4.219 145 HH11 ARG 19 HH11 ARG 19 -1.640 -11.983 -6.748 146 HH12 ARG 19 HH12 ARG 19 -2.657 -12.389 -8.037 147 HH21 ARG 19 HH21 ARG 19 -5.210 -13.741 -5.939 148 HH22 ARG 19 HH22 ARG 19 -4.776 -13.466 -7.563 149 H LEU 20 HN LEU 20 -2.415 -9.246 -1.210 150 HA LEU 20 HA LEU 20 0.372 -9.096 -1.316 151 HB2 LEU 20 HB2 LEU 20 -1.037 -7.613 -2.631 152 HB3 LEU 20 HB1 LEU 20 -1.737 -6.941 -1.183 153 HG LEU 20 HG LEU 20 0.666 -6.098 -0.690 154 HD11 LEU 20 HD11 LEU 20 2.024 -7.181 -2.345 155 HD12 LEU 20 HD12 LEU 20 1.894 -5.495 -2.776 156 HD13 LEU 20 HD13 LEU 20 0.919 -6.671 -3.624 157 HD21 LEU 20 HD21 LEU 20 -1.010 -4.907 -2.890 158 HD22 LEU 20 HD22 LEU 20 0.242 -4.055 -1.989 159 HD23 LEU 20 HD23 LEU 20 -1.203 -4.635 -1.159 160 H LYS 21 HN LYS 21 -2.017 -8.222 1.061 161 HA LYS 21 HA LYS 21 -0.517 -6.723 2.857 162 HB2 LYS 21 HB2 LYS 21 -3.046 -7.185 2.699 163 HB3 LYS 21 HB1 LYS 21 -2.713 -8.603 3.675 164 HG2 LYS 21 HG2 LYS 21 -1.826 -7.196 5.438 165 HG3 LYS 21 HG1 LYS 21 -2.105 -5.770 4.441 166 HD2 LYS 21 HD2 LYS 21 -4.522 -6.399 4.383 167 HD3 LYS 21 HD1 LYS 21 -4.155 -7.639 5.590 168 HE2 LYS 21 HE2 LYS 21 -3.664 -4.686 5.903 169 HE3 LYS 21 HE1 LYS 21 -5.039 -5.548 6.569 170 HZ1 LYS 21 HZ1 LYS 21 -3.368 -5.158 8.177 171 HZ2 LYS 21 HZ2 LYS 21 -2.177 -6.013 7.317 172 HZ3 LYS 21 HZ3 LYS 21 -3.530 -6.812 7.956 173 H THR 22 HN THR 22 -1.100 -10.232 2.775 174 HA THR 22 HA THR 22 0.507 -10.736 5.061 175 HB THR 22 HB THR 22 0.375 -13.178 4.266 176 HG1 THR 22 HG1 THR 22 -1.470 -12.023 2.419 177 HG21 THR 22 HG21 THR 22 -2.193 -11.645 4.719 178 HG22 THR 22 HG22 THR 22 -1.124 -12.278 5.975 179 HG23 THR 22 HG23 THR 22 -1.993 -13.386 4.916 180 H ALA 23 HN ALA 23 1.124 -10.793 1.616 181 HA ALA 23 HA ALA 23 3.714 -11.925 1.598 182 HB1 ALA 23 HB1 ALA 23 2.575 -9.808 -0.226 183 HB2 ALA 23 HB2 ALA 23 2.341 -11.545 -0.428 184 HB3 ALA 23 HB3 ALA 23 3.959 -10.849 -0.562 185 H LEU 24 HN LEU 24 2.668 -8.604 2.007 186 HA LEU 24 HA LEU 24 5.307 -7.582 2.082 187 HB2 LEU 24 HB2 LEU 24 2.762 -6.363 3.128 188 HB3 LEU 24 HB1 LEU 24 4.266 -5.501 2.884 189 HG LEU 24 HG LEU 24 2.514 -6.715 0.763 190 HD11 LEU 24 HD11 LEU 24 3.218 -3.875 1.396 191 HD12 LEU 24 HD12 LEU 24 1.654 -4.668 1.618 192 HD13 LEU 24 HD13 LEU 24 2.293 -4.409 -0.005 193 HD21 LEU 24 HD21 LEU 24 4.060 -5.795 -0.869 194 HD22 LEU 24 HD22 LEU 24 4.859 -6.993 0.153 195 HD23 LEU 24 HD23 LEU 24 5.122 -5.266 0.432 196 H THR 25 HN THR 25 3.021 -8.499 4.637 197 HA THR 25 HA THR 25 4.664 -7.743 6.767 198 HB THR 25 HB THR 25 2.664 -10.028 6.722 199 HG1 THR 25 HG1 THR 25 1.318 -8.436 6.388 200 HG21 THR 25 HG21 THR 25 3.711 -8.325 8.997 201 HG22 THR 25 HG22 THR 25 4.128 -10.010 8.705 202 HG23 THR 25 HG23 THR 25 2.474 -9.573 9.135 203 H ALA 26 HN ALA 26 4.447 -10.792 4.949 204 HA ALA 26 HA ALA 26 6.343 -12.229 6.489 205 HB1 ALA 26 HB1 ALA 26 6.363 -13.819 4.642 206 HB2 ALA 26 HB2 ALA 26 5.535 -12.647 3.614 207 HB3 ALA 26 HB3 ALA 26 4.713 -13.323 5.022 208 H ASN 27 HN ASN 27 6.667 -9.811 4.146 209 HA ASN 27 HA ASN 27 9.475 -10.425 3.691 210 HB2 ASN 27 HB2 ASN 27 7.435 -8.873 2.258 211 HB3 ASN 27 HB1 ASN 27 9.095 -8.235 2.153 212 HD21 ASN 27 HD21 ASN 27 6.869 -10.712 1.312 213 HD22 ASN 27 HD22 ASN 27 7.887 -11.572 0.210 214 H ARG 28 HN ARG 28 7.947 -9.060 6.084 215 HA ARG 28 HA ARG 28 8.510 -7.695 7.764 216 HB2 ARG 28 HB2 ARG 28 11.208 -7.647 6.400 217 HB3 ARG 28 HB1 ARG 28 10.902 -6.894 7.954 218 HG2 ARG 28 HG2 ARG 28 10.411 -9.821 7.449 219 HG3 ARG 28 HG1 ARG 28 11.978 -9.200 7.954 220 HD2 ARG 28 HD2 ARG 28 10.659 -10.066 9.843 221 HD3 ARG 28 HD1 ARG 28 11.007 -8.359 10.021 222 HE ARG 28 HE ARG 28 8.719 -7.882 9.519 223 HH11 ARG 28 HH11 ARG 28 9.380 -11.309 10.150 224 HH12 ARG 28 HH12 ARG 28 7.746 -11.689 10.459 225 HH21 ARG 28 HH21 ARG 28 6.536 -8.406 10.024 226 HH22 ARG 28 HH22 ARG 28 6.097 -10.014 10.411 227 H ILE 29 HN ILE 29 7.437 -6.656 5.226 228 HA ILE 29 HA ILE 29 8.417 -3.945 5.161 229 HB ILE 29 HB ILE 29 6.183 -5.308 3.619 230 HG12 ILE 29 HG12 ILE 29 8.994 -4.520 2.753 231 HG13 ILE 29 HG11 ILE 29 8.432 -6.151 3.049 232 HG21 ILE 29 HG21 ILE 29 7.336 -2.533 3.293 233 HG22 ILE 29 HG22 ILE 29 5.713 -2.939 3.835 234 HG23 ILE 29 HG23 ILE 29 6.201 -3.293 2.176 235 HD11 ILE 29 HD11 ILE 29 6.920 -5.991 1.178 236 HD12 ILE 29 HD12 ILE 29 8.579 -5.637 0.690 237 HD13 ILE 29 HD13 ILE 29 7.417 -4.323 0.898 238 H ALA 30 HN ALA 30 7.635 -2.477 6.475 239 HA ALA 30 HA ALA 30 5.289 -3.065 8.048 240 HB1 ALA 30 HB1 ALA 30 5.968 -1.116 9.348 241 HB2 ALA 30 HB2 ALA 30 7.241 -0.785 8.167 242 HB3 ALA 30 HB3 ALA 30 7.307 -2.250 9.147 243 H TYR 31 HN TYR 31 3.367 -2.205 7.675 244 HA TYR 31 HA TYR 31 3.140 0.174 6.010 245 HB2 TYR 31 HB2 TYR 31 1.286 -0.872 4.763 246 HB3 TYR 31 HB1 TYR 31 2.807 -1.724 4.511 247 HD1 TYR 31 HD2 TYR 31 -0.517 -1.904 6.080 248 HD2 TYR 31 HD1 TYR 31 3.105 -3.981 5.273 249 HE1 TYR 31 HE2 TYR 31 -1.579 -4.012 6.761 250 HE2 TYR 31 HE1 TYR 31 2.059 -6.080 5.949 251 HH TYR 31 HH TYR 31 0.243 -6.822 7.317 252 H ASP 32 HN ASP 32 1.284 1.370 6.428 253 HA ASP 32 HA ASP 32 -0.254 0.510 8.770 254 HB2 ASP 32 HB2 ASP 32 -0.700 2.835 9.299 255 HB3 ASP 32 HB1 ASP 32 1.025 2.697 9.039 256 H GLU 33 HN GLU 33 -2.475 0.385 8.531 257 HA GLU 33 HA GLU 33 -3.327 0.661 5.756 258 HB2 GLU 33 HB2 GLU 33 -5.123 -0.951 6.278 259 HB3 GLU 33 HB1 GLU 33 -3.512 -1.607 6.484 260 HG2 GLU 33 HG2 GLU 33 -3.737 -1.334 8.910 261 HG3 GLU 33 HG1 GLU 33 -5.375 -0.716 8.671 262 H VAL 34 HN VAL 34 -5.291 1.572 5.260 263 HA VAL 34 HA VAL 34 -5.891 3.688 7.153 264 HB VAL 34 HB VAL 34 -6.646 3.625 4.220 265 HG11 VAL 34 HG11 VAL 34 -7.012 5.987 4.448 266 HG12 VAL 34 HG12 VAL 34 -6.617 5.908 6.161 267 HG13 VAL 34 HG13 VAL 34 -8.060 5.084 5.547 268 HG21 VAL 34 HG21 VAL 34 -4.359 4.988 5.612 269 HG22 VAL 34 HG22 VAL 34 -4.782 5.149 3.907 270 HG23 VAL 34 HG23 VAL 34 -4.235 3.597 4.536 271 H ASP 35 HN ASP 35 -7.633 4.103 7.991 272 HA ASP 35 HA ASP 35 -9.682 2.408 8.656 273 HB2 ASP 35 HB2 ASP 35 -9.506 5.397 8.853 274 HB3 ASP 35 HB1 ASP 35 -10.807 4.459 9.558 275 H ILE 36 HN ILE 36 -9.561 3.528 5.608 276 HA ILE 36 HA ILE 36 -11.686 5.163 4.960 277 HB ILE 36 HB ILE 36 -11.749 4.230 2.698 278 HG12 ILE 36 HG12 ILE 36 -9.619 2.291 3.453 279 HG13 ILE 36 HG11 ILE 36 -11.308 1.827 3.662 280 HG21 ILE 36 HG21 ILE 36 -8.980 4.509 3.826 281 HG22 ILE 36 HG22 ILE 36 -10.037 5.825 3.317 282 HG23 ILE 36 HG23 ILE 36 -9.425 4.673 2.129 283 HD11 ILE 36 HD11 ILE 36 -10.100 2.747 1.046 284 HD12 ILE 36 HD12 ILE 36 -11.743 2.183 1.322 285 HD13 ILE 36 HD13 ILE 36 -10.403 1.064 1.504 286 H GLU 37 HN GLU 37 -12.042 1.780 5.747 287 HA GLU 37 HA GLU 37 -14.533 1.262 4.579 288 HB2 GLU 37 HB2 GLU 37 -13.033 -0.422 5.647 289 HB3 GLU 37 HB1 GLU 37 -13.410 0.291 7.198 290 HG2 GLU 37 HG2 GLU 37 -15.711 -0.361 7.001 291 HG3 GLU 37 HG1 GLU 37 -15.410 -1.009 5.385 292 H HIS 38 HN HIS 38 -13.615 2.619 7.685 293 HA HIS 38 HA HIS 38 -16.383 3.334 8.285 294 HB2 HIS 38 HB2 HIS 38 -15.223 2.061 10.026 295 HB3 HIS 38 HB1 HIS 38 -13.919 3.235 10.035 296 HD1 HIS 38 HD1 HIS 38 -14.042 4.590 12.086 297 HD2 HIS 38 HD2 HIS 38 -17.817 3.626 10.666 298 HE1 HIS 38 HE1 HIS 38 -15.682 5.687 13.667 299 H ASN 39 HN ASN 39 -13.234 4.668 7.623 300 HA ASN 39 HA ASN 39 -14.110 7.380 8.245 301 HB2 ASN 39 HB2 ASN 39 -11.776 6.753 8.738 302 HB3 ASN 39 HB1 ASN 39 -11.506 6.463 7.022 303 HD21 ASN 39 HD21 ASN 39 -10.157 8.038 6.456 304 HD22 ASN 39 HD22 ASN 39 -10.312 9.704 6.781 305 H ARG 40 HN ARG 40 -15.482 8.178 6.798 306 HA ARG 40 HA ARG 40 -15.410 7.378 4.064 307 HB2 ARG 40 HB2 ARG 40 -17.273 8.864 3.690 308 HB3 ARG 40 HB1 ARG 40 -17.517 8.004 5.199 309 HG2 ARG 40 HG2 ARG 40 -16.874 9.968 6.464 310 HG3 ARG 40 HG1 ARG 40 -16.505 10.830 4.969 311 HD2 ARG 40 HD2 ARG 40 -19.210 9.790 5.812 312 HD3 ARG 40 HD1 ARG 40 -18.686 11.474 5.840 313 HE ARG 40 HE ARG 40 -18.315 10.785 3.265 314 HH11 ARG 40 HH11 ARG 40 -21.131 10.649 5.407 315 HH12 ARG 40 HH12 ARG 40 -22.275 10.698 4.138 316 HH21 ARG 40 HH21 ARG 40 -19.926 10.845 1.503 317 HH22 ARG 40 HH22 ARG 40 -21.569 10.805 1.910 318 H ALA 41 HN ALA 41 -13.713 9.785 5.794 319 HA ALA 41 HA ALA 41 -13.554 11.591 3.629 320 HB1 ALA 41 HB1 ALA 41 -11.792 11.602 6.084 321 HB2 ALA 41 HB2 ALA 41 -13.366 12.366 5.947 322 HB3 ALA 41 HB3 ALA 41 -12.038 12.913 4.933 323 H ALA 42 HN ALA 42 -11.254 9.243 4.858 324 HA ALA 42 HA ALA 42 -9.413 9.804 2.738 325 HB1 ALA 42 HB1 ALA 42 -8.616 8.846 4.841 326 HB2 ALA 42 HB2 ALA 42 -8.229 7.777 3.491 327 HB3 ALA 42 HB3 ALA 42 -9.582 7.402 4.560 328 H ALA 43 HN ALA 43 -12.186 7.813 3.127 329 HA ALA 43 HA ALA 43 -11.714 5.971 1.041 330 HB1 ALA 43 HB1 ALA 43 -14.079 5.452 1.233 331 HB2 ALA 43 HB2 ALA 43 -14.344 6.949 2.129 332 HB3 ALA 43 HB3 ALA 43 -13.375 5.666 2.844 333 H GLU 44 HN GLU 44 -13.044 9.178 1.192 334 HA GLU 44 HA GLU 44 -14.166 9.353 -1.394 335 HB2 GLU 44 HB2 GLU 44 -14.430 10.926 0.627 336 HB3 GLU 44 HB1 GLU 44 -12.895 11.622 0.129 337 HG2 GLU 44 HG2 GLU 44 -14.650 12.976 -0.727 338 HG3 GLU 44 HG1 GLU 44 -13.909 12.118 -2.079 339 H PHE 45 HN PHE 45 -11.013 10.012 -0.022 340 HA PHE 45 HA PHE 45 -9.704 11.064 -2.266 341 HB2 PHE 45 HB2 PHE 45 -8.733 11.287 -0.058 342 HB3 PHE 45 HB1 PHE 45 -8.667 9.543 0.138 343 HD1 PHE 45 HD2 PHE 45 -7.371 12.229 -2.082 344 HD2 PHE 45 HD1 PHE 45 -6.661 8.469 -0.238 345 HE1 PHE 45 HE2 PHE 45 -5.075 12.238 -2.957 346 HE2 PHE 45 HE1 PHE 45 -4.358 8.471 -1.105 347 HZ PHE 45 HZ PHE 45 -3.562 10.360 -2.468 348 H VAL 46 HN VAL 46 -9.959 7.780 -1.032 349 HA VAL 46 HA VAL 46 -8.459 6.424 -2.952 350 HB VAL 46 HB VAL 46 -10.929 5.427 -1.491 351 HG11 VAL 46 HG11 VAL 46 -10.415 3.985 -3.371 352 HG12 VAL 46 HG12 VAL 46 -9.989 3.174 -1.858 353 HG13 VAL 46 HG13 VAL 46 -8.730 3.900 -2.862 354 HG21 VAL 46 HG21 VAL 46 -9.234 6.186 0.048 355 HG22 VAL 46 HG22 VAL 46 -8.012 5.246 -0.802 356 HG23 VAL 46 HG23 VAL 46 -9.307 4.423 0.058 357 H GLY 47 HN GLY 47 -11.878 7.317 -2.974 358 HA2 GLY 47 HA2 GLY 47 -12.639 6.091 -5.379 359 HA3 GLY 47 HA1 GLY 47 -13.400 7.516 -4.684 360 H SER 48 HN SER 48 -10.974 9.132 -4.808 361 HA SER 48 HA SER 48 -11.224 9.958 -7.550 362 HB2 SER 48 HB2 SER 48 -9.548 11.095 -5.307 363 HB3 SER 48 HB1 SER 48 -9.883 11.884 -6.851 364 HG SER 48 HG SER 48 -12.112 11.000 -5.536 365 H VAL 49 HN VAL 49 -8.946 8.174 -5.631 366 HA VAL 49 HA VAL 49 -6.764 8.447 -7.490 367 HB VAL 49 HB VAL 49 -7.109 6.536 -5.148 368 HG11 VAL 49 HG11 VAL 49 -4.688 6.145 -5.310 369 HG12 VAL 49 HG12 VAL 49 -4.624 7.140 -6.764 370 HG13 VAL 49 HG13 VAL 49 -5.521 5.622 -6.772 371 HG21 VAL 49 HG21 VAL 49 -5.539 8.022 -3.994 372 HG22 VAL 49 HG22 VAL 49 -7.011 8.869 -4.472 373 HG23 VAL 49 HG23 VAL 49 -5.525 9.088 -5.398 374 H ASN 50 HN ASN 50 -9.231 6.080 -6.791 375 HA ASN 50 HA ASN 50 -8.181 4.213 -8.744 376 HB2 ASN 50 HB2 ASN 50 -10.700 4.131 -7.090 377 HB3 ASN 50 HB1 ASN 50 -10.172 2.845 -8.156 378 HD21 ASN 50 HD21 ASN 50 -7.282 3.186 -7.365 379 HD22 ASN 50 HD22 ASN 50 -7.216 2.527 -5.782 380 H GLY 51 HN GLY 51 -10.254 3.172 -10.025 381 HA2 GLY 51 HA2 GLY 51 -10.908 5.301 -11.880 382 HA3 GLY 51 HA1 GLY 51 -11.081 3.574 -12.158 383 H GLY 52 HN GLY 52 -12.961 2.527 -11.460 384 HA2 GLY 52 HA2 GLY 52 -15.210 4.373 -11.390 385 HA3 GLY 52 HA1 GLY 52 -15.289 2.665 -11.775 386 H ASN 53 HN ASN 53 -14.060 1.571 -9.548 387 HA ASN 53 HA ASN 53 -15.821 2.424 -7.357 388 HB2 ASN 53 HB2 ASN 53 -16.771 0.417 -8.473 389 HB3 ASN 53 HB1 ASN 53 -15.255 -0.434 -8.241 390 HD21 ASN 53 HD21 ASN 53 -18.134 0.779 -6.681 391 HD22 ASN 53 HD22 ASN 53 -17.983 -0.133 -5.241 392 H ARG 54 HN ARG 54 -14.976 1.982 -5.241 393 HA ARG 54 HA ARG 54 -12.250 2.493 -4.990 394 HB2 ARG 54 HB2 ARG 54 -14.220 1.485 -2.924 395 HB3 ARG 54 HB1 ARG 54 -12.570 1.919 -2.525 396 HG2 ARG 54 HG2 ARG 54 -12.996 4.219 -3.281 397 HG3 ARG 54 HG1 ARG 54 -14.637 3.755 -3.719 398 HD2 ARG 54 HD2 ARG 54 -13.476 3.718 -0.927 399 HD3 ARG 54 HD1 ARG 54 -14.570 4.941 -1.563 400 HE ARG 54 HE ARG 54 -15.550 2.226 -1.681 401 HH11 ARG 54 HH11 ARG 54 -15.687 5.288 0.131 402 HH12 ARG 54 HH12 ARG 54 -16.955 4.778 1.130 403 HH21 ARG 54 HH21 ARG 54 -17.334 1.593 -0.346 404 HH22 ARG 54 HH22 ARG 54 -17.908 2.639 0.867 405 H THR 55 HN THR 55 -10.651 1.296 -5.452 406 HA THR 55 HA THR 55 -10.783 -1.599 -5.450 407 HB THR 55 HB THR 55 -8.521 0.280 -6.200 408 HG1 THR 55 HG1 THR 55 -10.838 0.166 -7.329 409 HG21 THR 55 HG21 THR 55 -7.776 -1.613 -7.583 410 HG22 THR 55 HG22 THR 55 -9.139 -2.579 -6.995 411 HG23 THR 55 HG23 THR 55 -7.874 -2.062 -5.880 412 H VAL 56 HN VAL 56 -9.648 -2.787 -3.862 413 HA VAL 56 HA VAL 56 -9.230 -1.217 -1.541 414 HB VAL 56 HB VAL 56 -8.732 -4.157 -1.704 415 HG11 VAL 56 HG11 VAL 56 -7.638 -2.928 0.155 416 HG12 VAL 56 HG12 VAL 56 -8.906 -4.017 0.745 417 HG13 VAL 56 HG13 VAL 56 -9.204 -2.281 0.610 418 HG21 VAL 56 HG21 VAL 56 -10.987 -2.503 -0.846 419 HG22 VAL 56 HG22 VAL 56 -10.826 -4.265 -0.615 420 HG23 VAL 56 HG23 VAL 56 -10.968 -3.569 -2.276 421 HA PRO 57 HA PRO 57 -5.369 -2.830 -1.094 422 HB2 PRO 57 HB2 PRO 57 -3.605 -4.225 -2.590 423 HB3 PRO 57 HB1 PRO 57 -4.976 -4.923 -1.725 424 HG2 PRO 57 HG2 PRO 57 -4.863 -4.089 -4.611 425 HG3 PRO 57 HG1 PRO 57 -5.507 -5.588 -3.915 426 HD2 PRO 57 HD2 PRO 57 -7.054 -3.433 -4.565 427 HD3 PRO 57 HD1 PRO 57 -7.429 -4.660 -3.314 428 H THR 58 HN THR 58 -5.661 -0.543 -2.292 429 HA THR 58 HA THR 58 -3.776 0.395 -4.191 430 HB THR 58 HB THR 58 -5.859 1.624 -2.372 431 HG1 THR 58 HG1 THR 58 -7.172 0.838 -3.814 432 HG21 THR 58 HG21 THR 58 -4.204 3.339 -3.075 433 HG22 THR 58 HG22 THR 58 -5.767 3.596 -3.871 434 HG23 THR 58 HG23 THR 58 -4.442 2.851 -4.757 435 H VAL 59 HN VAL 59 -1.904 1.472 -3.561 436 HA VAL 59 HA VAL 59 -1.386 1.606 -0.676 437 HB VAL 59 HB VAL 59 -0.260 -0.376 -1.766 438 HG11 VAL 59 HG11 VAL 59 1.141 1.697 -3.306 439 HG12 VAL 59 HG12 VAL 59 0.083 0.419 -3.911 440 HG13 VAL 59 HG13 VAL 59 1.656 0.006 -3.187 441 HG21 VAL 59 HG21 VAL 59 1.955 -0.020 -0.784 442 HG22 VAL 59 HG22 VAL 59 0.727 0.640 0.281 443 HG23 VAL 59 HG23 VAL 59 1.668 1.707 -0.734 444 H LYS 60 HN LYS 60 -0.070 3.234 -0.006 445 HA LYS 60 HA LYS 60 0.678 5.274 -1.948 446 HB2 LYS 60 HB2 LYS 60 -1.331 6.012 -0.746 447 HB3 LYS 60 HB1 LYS 60 -0.585 5.627 0.786 448 HG2 LYS 60 HG2 LYS 60 0.936 7.461 0.546 449 HG3 LYS 60 HG1 LYS 60 0.369 7.754 -1.104 450 HD2 LYS 60 HD2 LYS 60 -1.871 8.240 -0.268 451 HD3 LYS 60 HD1 LYS 60 -1.339 7.915 1.379 452 HE2 LYS 60 HE2 LYS 60 -0.177 10.028 -0.393 453 HE3 LYS 60 HE1 LYS 60 -1.483 10.326 0.755 454 HZ1 LYS 60 HZ1 LYS 60 1.261 9.369 1.465 455 HZ2 LYS 60 HZ2 LYS 60 -0.002 9.615 2.536 456 HZ3 LYS 60 HZ3 LYS 60 0.646 10.916 1.728 457 H PHE 61 HN PHE 61 2.786 5.549 -1.884 458 HA PHE 61 HA PHE 61 4.374 4.410 0.278 459 HB2 PHE 61 HB2 PHE 61 5.145 5.622 -2.389 460 HB3 PHE 61 HB1 PHE 61 6.316 5.059 -1.206 461 HD1 PHE 61 HD2 PHE 61 3.514 3.959 -3.358 462 HD2 PHE 61 HD1 PHE 61 6.910 2.802 -1.083 463 HE1 PHE 61 HE2 PHE 61 3.336 1.688 -4.242 464 HE2 PHE 61 HE1 PHE 61 6.741 0.546 -1.951 465 HZ PHE 61 HZ PHE 61 4.935 -0.035 -3.564 466 H ALA 62 HN ALA 62 6.101 5.613 1.273 467 HA ALA 62 HA ALA 62 5.446 8.118 2.313 468 HB1 ALA 62 HB1 ALA 62 6.989 6.554 3.395 469 HB2 ALA 62 HB2 ALA 62 7.735 8.143 3.198 470 HB3 ALA 62 HB3 ALA 62 8.166 6.827 2.113 471 H ASP 63 HN ASP 63 6.644 7.376 -0.698 472 HA ASP 63 HA ASP 63 8.069 9.797 -1.330 473 HB2 ASP 63 HB2 ASP 63 8.549 7.743 -2.547 474 HB3 ASP 63 HB1 ASP 63 6.873 7.610 -3.052 475 H GLY 64 HN GLY 64 4.775 8.866 -1.077 476 HA2 GLY 64 HA2 GLY 64 3.025 10.445 -1.109 477 HA3 GLY 64 HA1 GLY 64 3.942 11.413 -2.255 478 H SER 65 HN SER 65 4.459 8.632 -3.523 479 HA SER 65 HA SER 65 2.395 8.901 -5.488 480 HB2 SER 65 HB2 SER 65 4.692 6.964 -5.289 481 HB3 SER 65 HB1 SER 65 3.668 7.217 -6.709 482 HG SER 65 HG SER 65 5.728 8.793 -5.699 483 H THR 66 HN THR 66 0.809 7.423 -6.015 484 HA THR 66 HA THR 66 0.302 5.281 -4.090 485 HB THR 66 HB THR 66 -2.088 5.548 -4.920 486 HG1 THR 66 HG1 THR 66 -1.333 8.126 -5.734 487 HG21 THR 66 HG21 THR 66 -2.552 7.534 -3.523 488 HG22 THR 66 HG22 THR 66 -0.828 7.916 -3.511 489 HG23 THR 66 HG23 THR 66 -1.410 6.439 -2.749 490 H LEU 67 HN LEU 67 -0.334 3.295 -4.908 491 HA LEU 67 HA LEU 67 -0.381 2.954 -7.833 492 HB2 LEU 67 HB2 LEU 67 0.928 1.077 -5.860 493 HB3 LEU 67 HB1 LEU 67 0.655 0.689 -7.550 494 HG LEU 67 HG LEU 67 2.575 2.665 -6.353 495 HD11 LEU 67 HD11 LEU 67 4.281 1.249 -7.356 496 HD12 LEU 67 HD12 LEU 67 3.036 0.256 -8.090 497 HD13 LEU 67 HD13 LEU 67 3.224 0.243 -6.350 498 HD21 LEU 67 HD21 LEU 67 1.715 3.701 -8.386 499 HD22 LEU 67 HD22 LEU 67 1.963 2.199 -9.279 500 HD23 LEU 67 HD23 LEU 67 3.345 3.101 -8.676 501 H THR 68 HN THR 68 -2.005 1.761 -8.576 502 HA THR 68 HA THR 68 -3.830 0.621 -6.608 503 HB THR 68 HB THR 68 -4.266 1.243 -9.560 504 HG1 THR 68 HG1 THR 68 -4.282 3.193 -8.638 505 HG21 THR 68 HG21 THR 68 -6.239 0.455 -7.401 506 HG22 THR 68 HG22 THR 68 -5.713 -0.571 -8.737 507 HG23 THR 68 HG23 THR 68 -6.649 0.885 -9.063 508 H ASN 69 HN ASN 69 -3.679 -1.498 -6.307 509 HA ASN 69 HA ASN 69 -3.183 -3.673 -6.470 510 HB2 ASN 69 HB2 ASN 69 -3.813 -3.294 -9.414 511 HB3 ASN 69 HB1 ASN 69 -3.569 -4.854 -8.649 512 HD21 ASN 69 HD21 ASN 69 -5.840 -3.811 -10.065 513 HD22 ASN 69 HD22 ASN 69 -7.182 -3.908 -8.984 514 HA PRO 70 HA PRO 70 1.083 -3.184 -8.137 515 HB2 PRO 70 HB2 PRO 70 2.472 -2.796 -5.935 516 HB3 PRO 70 HB1 PRO 70 1.518 -1.461 -6.610 517 HG2 PRO 70 HG2 PRO 70 0.814 -3.340 -4.382 518 HG3 PRO 70 HG1 PRO 70 0.712 -1.566 -4.395 519 HD2 PRO 70 HD2 PRO 70 -1.431 -3.188 -4.899 520 HD3 PRO 70 HD1 PRO 70 -1.220 -1.568 -5.614 521 H SER 71 HN SER 71 2.700 -4.760 -8.024 522 HA SER 71 HA SER 71 1.973 -7.262 -6.820 523 HB2 SER 71 HB2 SER 71 4.045 -8.059 -8.042 524 HB3 SER 71 HB1 SER 71 2.870 -7.274 -9.097 525 HG SER 71 HG SER 71 4.118 -5.554 -9.251 526 H ALA 72 HN ALA 72 3.326 -8.342 -5.269 527 HA ALA 72 HA ALA 72 4.265 -6.707 -3.186 528 HB1 ALA 72 HB1 ALA 72 4.844 -9.627 -3.684 529 HB2 ALA 72 HB2 ALA 72 3.435 -8.992 -2.830 530 HB3 ALA 72 HB3 ALA 72 5.053 -8.778 -2.152 531 H ASP 73 HN ASP 73 5.818 -8.255 -5.853 532 HA ASP 73 HA ASP 73 8.494 -7.920 -5.086 533 HB2 ASP 73 HB2 ASP 73 7.277 -8.063 -7.846 534 HB3 ASP 73 HB1 ASP 73 9.009 -8.035 -7.553 535 H GLU 74 HN GLU 74 6.392 -5.832 -7.092 536 HA GLU 74 HA GLU 74 8.381 -3.858 -7.336 537 HB2 GLU 74 HB2 GLU 74 5.404 -3.589 -7.637 538 HB3 GLU 74 HB1 GLU 74 6.514 -2.257 -7.863 539 HG2 GLU 74 HG2 GLU 74 7.661 -3.896 -9.562 540 HG3 GLU 74 HG1 GLU 74 6.063 -4.654 -9.550 541 H VAL 75 HN VAL 75 5.790 -4.291 -4.994 542 HA VAL 75 HA VAL 75 6.107 -1.815 -3.748 543 HB VAL 75 HB VAL 75 5.264 -4.427 -2.437 544 HG11 VAL 75 HG11 VAL 75 4.256 -3.033 -0.694 545 HG12 VAL 75 HG12 VAL 75 4.915 -1.589 -1.460 546 HG13 VAL 75 HG13 VAL 75 6.002 -2.795 -0.767 547 HG21 VAL 75 HG21 VAL 75 2.991 -3.529 -2.705 548 HG22 VAL 75 HG22 VAL 75 3.800 -3.781 -4.251 549 HG23 VAL 75 HG23 VAL 75 3.652 -2.153 -3.585 550 H LYS 76 HN LYS 76 7.751 -4.865 -3.139 551 HA LYS 76 HA LYS 76 9.309 -3.944 -0.987 552 HB2 LYS 76 HB2 LYS 76 8.914 -6.284 -1.377 553 HB3 LYS 76 HB1 LYS 76 9.749 -6.220 -2.924 554 HG2 LYS 76 HG2 LYS 76 11.838 -5.818 -1.796 555 HG3 LYS 76 HG1 LYS 76 11.020 -5.764 -0.225 556 HD2 LYS 76 HD2 LYS 76 10.275 -8.091 -0.598 557 HD3 LYS 76 HD1 LYS 76 11.172 -8.100 -2.117 558 HE2 LYS 76 HE2 LYS 76 13.244 -7.741 -0.913 559 HE3 LYS 76 HE1 LYS 76 12.356 -7.649 0.605 560 HZ1 LYS 76 HZ1 LYS 76 12.535 -10.017 -1.168 561 HZ2 LYS 76 HZ2 LYS 76 11.623 -9.945 0.238 562 HZ3 LYS 76 HZ3 LYS 76 13.316 -9.827 0.316 563 H ALA 77 HN ALA 77 9.986 -4.148 -4.470 564 HA ALA 77 HA ALA 77 12.638 -3.167 -4.292 565 HB1 ALA 77 HB1 ALA 77 11.814 -4.439 -6.225 566 HB2 ALA 77 HB2 ALA 77 12.515 -2.892 -6.712 567 HB3 ALA 77 HB3 ALA 77 10.764 -3.092 -6.660 568 H LYS 78 HN LYS 78 9.543 -1.554 -4.624 569 HA LYS 78 HA LYS 78 10.746 1.015 -5.078 570 HB2 LYS 78 HB2 LYS 78 7.928 0.289 -4.232 571 HB3 LYS 78 HB1 LYS 78 8.434 1.916 -4.681 572 HG2 LYS 78 HG2 LYS 78 8.469 -0.501 -6.484 573 HG3 LYS 78 HG1 LYS 78 7.177 0.692 -6.428 574 HD2 LYS 78 HD2 LYS 78 8.605 2.396 -7.225 575 HD3 LYS 78 HD1 LYS 78 10.039 1.385 -7.038 576 HE2 LYS 78 HE2 LYS 78 9.305 1.534 -9.398 577 HE3 LYS 78 HE1 LYS 78 9.270 -0.117 -8.786 578 HZ1 LYS 78 HZ1 LYS 78 6.813 0.231 -8.429 579 HZ2 LYS 78 HZ2 LYS 78 7.292 0.208 -10.010 580 HZ3 LYS 78 HZ3 LYS 78 6.938 1.673 -9.290 581 H LEU 79 HN LEU 79 9.521 -0.772 -2.287 582 HA LEU 79 HA LEU 79 9.616 1.211 -0.356 583 HB2 LEU 79 HB2 LEU 79 8.777 -1.193 0.009 584 HB3 LEU 79 HB1 LEU 79 10.449 -1.656 0.051 585 HG LEU 79 HG LEU 79 10.691 -0.006 1.963 586 HD11 LEU 79 HD11 LEU 79 7.703 -0.271 1.970 587 HD12 LEU 79 HD12 LEU 79 8.654 1.224 1.918 588 HD13 LEU 79 HD13 LEU 79 8.651 0.229 3.358 589 HD21 LEU 79 HD21 LEU 79 9.146 -2.559 2.270 590 HD22 LEU 79 HD22 LEU 79 9.937 -1.712 3.600 591 HD23 LEU 79 HD23 LEU 79 10.902 -2.377 2.277 592 H VAL 80 HN VAL 80 12.122 -1.031 -1.434 593 HA VAL 80 HA VAL 80 14.043 -0.212 0.412 594 HB VAL 80 HB VAL 80 15.741 -1.363 -0.952 595 HG11 VAL 80 HG11 VAL 80 13.182 -2.876 -0.660 596 HG12 VAL 80 HG12 VAL 80 14.439 -2.665 0.562 597 HG13 VAL 80 HG13 VAL 80 14.775 -3.594 -0.901 598 HG21 VAL 80 HG21 VAL 80 15.051 -2.548 -3.012 599 HG22 VAL 80 HG22 VAL 80 15.084 -0.792 -3.158 600 HG23 VAL 80 HG23 VAL 80 13.540 -1.619 -2.961 601 H LYS 81 HN LYS 81 13.302 1.094 -2.738 602 HA LYS 81 HA LYS 81 15.604 2.800 -2.600 603 HB2 LYS 81 HB2 LYS 81 14.925 3.745 -4.710 604 HB3 LYS 81 HB1 LYS 81 14.833 1.993 -4.781 605 HG2 LYS 81 HG2 LYS 81 12.462 2.029 -4.621 606 HG3 LYS 81 HG1 LYS 81 12.455 3.767 -4.348 607 HD2 LYS 81 HD2 LYS 81 13.422 2.398 -6.863 608 HD3 LYS 81 HD1 LYS 81 11.863 3.208 -6.671 609 HE2 LYS 81 HE2 LYS 81 13.056 5.326 -6.201 610 HE3 LYS 81 HE1 LYS 81 14.586 4.491 -6.443 611 HZ1 LYS 81 HZ1 LYS 81 12.486 4.872 -8.470 612 HZ2 LYS 81 HZ2 LYS 81 13.940 4.031 -8.700 613 HZ3 LYS 81 HZ3 LYS 81 13.963 5.686 -8.379 614 H ILE 82 HN ILE 82 12.117 3.194 -1.999 615 HA ILE 82 HA ILE 82 12.423 6.019 -1.746 616 HB ILE 82 HB ILE 82 10.068 6.163 -1.038 617 HG12 ILE 82 HG12 ILE 82 8.629 4.036 -1.350 618 HG13 ILE 82 HG11 ILE 82 10.125 3.139 -1.158 619 HG21 ILE 82 HG21 ILE 82 10.590 6.265 -3.361 620 HG22 ILE 82 HG22 ILE 82 9.058 5.432 -3.134 621 HG23 ILE 82 HG23 ILE 82 10.515 4.508 -3.499 622 HD11 ILE 82 HD11 ILE 82 8.885 4.964 0.893 623 HD12 ILE 82 HD12 ILE 82 10.371 4.038 1.102 624 HD13 ILE 82 HD13 ILE 82 8.829 3.201 0.910 625 H ALA 83 HN ALA 83 13.062 3.554 0.326 626 HA ALA 83 HA ALA 83 12.631 5.071 2.732 627 HB1 ALA 83 HB1 ALA 83 12.460 2.634 2.746 628 HB2 ALA 83 HB2 ALA 83 13.690 3.193 3.870 629 HB3 ALA 83 HB3 ALA 83 14.162 2.506 2.305 630 H GLY 84 HN GLY 84 14.727 5.492 0.314 631 HA2 GLY 84 HA2 GLY 84 16.514 6.955 0.196 632 HA3 GLY 84 HA1 GLY 84 16.529 7.036 1.955 633 H LEU 85 HN LEU 85 18.734 6.731 2.147 634 HA LEU 85 HA LEU 85 19.793 4.205 1.158 635 HB2 LEU 85 HB2 LEU 85 21.039 6.444 0.933 636 HB3 LEU 85 HB1 LEU 85 21.237 6.412 2.667 637 HG LEU 85 HG LEU 85 22.379 4.285 0.834 638 HD11 LEU 85 HD11 LEU 85 23.694 6.762 1.936 639 HD12 LEU 85 HD12 LEU 85 23.314 6.452 0.245 640 HD13 LEU 85 HD13 LEU 85 24.516 5.464 1.073 641 HD21 LEU 85 HD21 LEU 85 23.839 3.791 2.717 642 HD22 LEU 85 HD22 LEU 85 22.145 3.663 3.213 643 HD23 LEU 85 HD23 LEU 85 23.090 5.082 3.657 644 H GLU 86 HN GLU 86 19.201 2.615 2.406 645 HA GLU 86 HA GLU 86 19.657 2.704 5.283 646 HB2 GLU 86 HB2 GLU 86 17.379 3.576 5.027 647 HB3 GLU 86 HB1 GLU 86 16.953 2.164 4.065 648 HG2 GLU 86 HG2 GLU 86 16.074 1.927 6.291 649 HG3 GLU 86 HG1 GLU 86 17.347 0.741 6.017 650 H HIS 87 HN HIS 87 18.238 0.887 2.616 651 HA HIS 87 HA HIS 87 18.811 -1.655 3.811 652 HB2 HIS 87 HB2 HIS 87 17.877 -0.917 1.044 653 HB3 HIS 87 HB1 HIS 87 17.941 -2.555 1.677 654 HD1 HIS 87 HD1 HIS 87 15.744 0.415 1.530 655 HD2 HIS 87 HD2 HIS 87 16.084 -3.038 3.827 656 HE1 HIS 87 HE1 HIS 87 13.552 0.157 2.758 657 H HIS 88 HN HIS 88 19.998 0.211 1.070 658 HA HIS 88 HA HIS 88 22.450 -1.360 1.140 659 HB2 HIS 88 HB2 HIS 88 20.956 -2.039 -0.776 660 HB3 HIS 88 HB1 HIS 88 21.022 -0.389 -1.361 661 HD1 HIS 88 HD1 HIS 88 22.978 -3.553 -1.227 662 HD2 HIS 88 HD2 HIS 88 23.462 0.346 -2.574 663 HE1 HIS 88 HE1 HIS 88 24.981 -3.587 -2.754 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 3.115 -0.214 14.004 2 H2 MET 1 HT2 MET 1 3.836 0.712 12.777 3 H3 MET 1 HT3 MET 1 2.656 1.377 13.732 4 HA MET 1 HA MET 1 3.948 1.365 15.656 5 HB2 MET 1 HB2 MET 1 6.208 0.286 13.959 6 HB3 MET 1 HB1 MET 1 6.306 0.768 15.636 7 HG2 MET 1 HG2 MET 1 6.266 -1.552 15.707 8 HG3 MET 1 HG1 MET 1 4.608 -1.091 16.082 9 HE1 MET 1 HE1 MET 1 7.067 -2.643 13.484 10 HE2 MET 1 HE2 MET 1 6.519 -1.230 12.573 11 HE3 MET 1 HE3 MET 1 6.054 -2.845 12.056 12 H VAL 2 HN VAL 2 5.663 1.866 12.550 13 HA VAL 2 HA VAL 2 6.343 4.527 13.530 14 HB VAL 2 HB VAL 2 8.063 4.556 11.734 15 HG11 VAL 2 HG11 VAL 2 8.636 3.882 13.988 16 HG12 VAL 2 HG12 VAL 2 9.568 2.967 12.804 17 HG13 VAL 2 HG13 VAL 2 8.191 2.215 13.619 18 HG21 VAL 2 HG21 VAL 2 7.244 1.674 11.327 19 HG22 VAL 2 HG22 VAL 2 8.637 2.459 10.582 20 HG23 VAL 2 HG23 VAL 2 7.005 2.983 10.171 21 H THR 3 HN THR 3 6.824 5.994 11.416 22 HA THR 3 HA THR 3 4.425 6.956 10.497 23 HB THR 3 HB THR 3 7.045 7.131 8.997 24 HG1 THR 3 HG1 THR 3 6.176 8.269 11.433 25 HG21 THR 3 HG21 THR 3 4.804 9.124 9.440 26 HG22 THR 3 HG22 THR 3 5.071 8.201 7.964 27 HG23 THR 3 HG23 THR 3 6.258 9.401 8.481 28 H ALA 4 HN ALA 4 3.114 6.437 8.822 29 HA ALA 4 HA ALA 4 3.345 3.975 7.481 30 HB1 ALA 4 HB1 ALA 4 1.306 4.608 6.345 31 HB2 ALA 4 HB2 ALA 4 1.506 6.277 6.875 32 HB3 ALA 4 HB3 ALA 4 1.202 5.009 8.060 33 H ALA 5 HN ALA 5 5.315 4.047 6.379 34 HA ALA 5 HA ALA 5 5.834 5.878 4.261 35 HB1 ALA 5 HB1 ALA 5 6.906 3.084 4.741 36 HB2 ALA 5 HB2 ALA 5 7.636 4.588 5.292 37 HB3 ALA 5 HB3 ALA 5 7.552 4.229 3.570 38 H LEU 6 HN LEU 6 4.159 2.888 4.607 39 HA LEU 6 HA LEU 6 3.243 3.038 1.825 40 HB2 LEU 6 HB2 LEU 6 3.144 0.580 3.613 41 HB3 LEU 6 HB1 LEU 6 2.696 0.710 1.926 42 HG LEU 6 HG LEU 6 4.668 -0.525 2.011 43 HD11 LEU 6 HD11 LEU 6 5.317 2.255 1.214 44 HD12 LEU 6 HD12 LEU 6 4.574 0.987 0.223 45 HD13 LEU 6 HD13 LEU 6 6.241 0.810 0.797 46 HD21 LEU 6 HD21 LEU 6 5.887 1.654 3.678 47 HD22 LEU 6 HD22 LEU 6 6.748 0.275 3.000 48 HD23 LEU 6 HD23 LEU 6 5.509 0.005 4.201 49 H THR 7 HN THR 7 1.274 3.903 1.833 50 HA THR 7 HA THR 7 -0.447 3.473 4.167 51 HB THR 7 HB THR 7 -0.982 5.254 1.793 52 HG1 THR 7 HG1 THR 7 0.947 5.499 3.695 53 HG21 THR 7 HG21 THR 7 -2.835 4.837 3.341 54 HG22 THR 7 HG22 THR 7 -2.310 6.517 3.413 55 HG23 THR 7 HG23 THR 7 -1.842 5.391 4.685 56 H ILE 8 HN ILE 8 -1.638 1.641 3.887 57 HA ILE 8 HA ILE 8 -2.341 0.878 1.151 58 HB ILE 8 HB ILE 8 -2.197 -0.853 3.638 59 HG12 ILE 8 HG12 ILE 8 -0.397 -0.703 1.213 60 HG13 ILE 8 HG11 ILE 8 0.007 -0.139 2.829 61 HG21 ILE 8 HG21 ILE 8 -3.908 -1.623 2.054 62 HG22 ILE 8 HG22 ILE 8 -2.552 -2.749 2.139 63 HG23 ILE 8 HG23 ILE 8 -2.705 -1.656 0.762 64 HD11 ILE 8 HD11 ILE 8 1.042 -2.271 2.345 65 HD12 ILE 8 HD12 ILE 8 -0.543 -2.979 2.022 66 HD13 ILE 8 HD13 ILE 8 -0.132 -2.429 3.650 67 H TYR 9 HN TYR 9 -4.350 0.748 0.566 68 HA TYR 9 HA TYR 9 -6.385 1.521 2.477 69 HB2 TYR 9 HB2 TYR 9 -6.341 1.345 -0.539 70 HB3 TYR 9 HB1 TYR 9 -7.741 1.899 0.356 71 HD1 TYR 9 HD2 TYR 9 -7.479 4.011 1.791 72 HD2 TYR 9 HD1 TYR 9 -4.535 2.784 -1.022 73 HE1 TYR 9 HE2 TYR 9 -6.478 6.256 1.857 74 HE2 TYR 9 HE1 TYR 9 -3.528 5.015 -0.954 75 HH TYR 9 HH TYR 9 -4.426 7.355 1.394 76 H THR 10 HN THR 10 -7.616 -0.019 3.421 77 HA THR 10 HA THR 10 -8.248 -2.436 1.929 78 HB THR 10 HB THR 10 -7.975 -3.693 4.135 79 HG1 THR 10 HG1 THR 10 -7.642 -1.669 5.346 80 HG21 THR 10 HG21 THR 10 -6.449 -4.080 2.261 81 HG22 THR 10 HG22 THR 10 -5.567 -4.118 3.787 82 HG23 THR 10 HG23 THR 10 -5.477 -2.692 2.753 83 H THR 11 HN THR 11 -10.145 -3.533 2.768 84 HA THR 11 HA THR 11 -11.807 -2.029 4.647 85 HB THR 11 HB THR 11 -13.730 -2.466 3.089 86 HG1 THR 11 HG1 THR 11 -12.129 -2.637 0.878 87 HG21 THR 11 HG21 THR 11 -13.309 -0.625 1.544 88 HG22 THR 11 HG22 THR 11 -11.581 -0.736 1.867 89 HG23 THR 11 HG23 THR 11 -12.672 -0.199 3.137 90 H SER 12 HN SER 12 -13.889 -3.535 4.930 91 HA SER 12 HA SER 12 -13.092 -6.160 5.507 92 HB2 SER 12 HB2 SER 12 -15.641 -6.355 5.911 93 HB3 SER 12 HB1 SER 12 -14.713 -5.255 6.925 94 HG SER 12 HG SER 12 -15.760 -3.683 6.199 95 H TRP 13 HN TRP 13 -13.652 -4.760 2.585 96 HA TRP 13 HA TRP 13 -15.031 -6.998 1.334 97 HB2 TRP 13 HB2 TRP 13 -13.789 -4.631 -0.090 98 HB3 TRP 13 HB1 TRP 13 -15.094 -5.665 -0.645 99 HD1 TRP 13 HD1 TRP 13 -17.005 -5.376 1.890 100 HE1 TRP 13 HE1 TRP 13 -18.195 -3.160 2.327 101 HE3 TRP 13 HE3 TRP 13 -14.001 -2.298 -0.867 102 HZ2 TRP 13 HZ2 TRP 13 -17.919 -0.440 1.594 103 HZ3 TRP 13 HZ3 TRP 13 -14.540 0.100 -0.955 104 HH2 TRP 13 HH2 TRP 13 -16.456 1.008 0.251 105 H CYS 14 HN CYS 14 -12.113 -6.546 2.541 106 HA CYS 14 HA CYS 14 -10.556 -7.216 0.219 107 HB2 CYS 14 HB2 CYS 14 -9.906 -6.232 2.922 108 HB3 CYS 14 HB1 CYS 14 -8.681 -7.155 2.059 109 H GLY 15 HN GLY 15 -10.396 -9.104 -0.377 110 HA2 GLY 15 HA2 GLY 15 -9.685 -11.192 1.549 111 HA3 GLY 15 HA1 GLY 15 -10.542 -11.491 0.025 112 H TYR 16 HN TYR 16 -9.362 -10.242 -1.880 113 HA TYR 16 HA TYR 16 -6.866 -11.542 -2.132 114 HB2 TYR 16 HB2 TYR 16 -6.636 -10.524 -4.349 115 HB3 TYR 16 HB1 TYR 16 -8.236 -11.197 -4.132 116 HD1 TYR 16 HD2 TYR 16 -10.127 -9.550 -3.659 117 HD2 TYR 16 HD1 TYR 16 -6.325 -8.269 -5.068 118 HE1 TYR 16 HE2 TYR 16 -11.125 -7.432 -4.484 119 HE2 TYR 16 HE1 TYR 16 -7.292 -6.238 -5.911 120 HH TYR 16 HH TYR 16 -9.416 -5.380 -6.592 121 H CYS 17 HN CYS 17 -7.640 -8.522 -0.833 122 HA CYS 17 HA CYS 17 -5.239 -7.101 -1.257 123 HB2 CYS 17 HB2 CYS 17 -6.904 -6.984 1.260 124 HB3 CYS 17 HB1 CYS 17 -5.873 -5.730 0.611 125 H LEU 18 HN LEU 18 -6.125 -9.716 0.908 126 HA LEU 18 HA LEU 18 -4.207 -9.268 2.913 127 HB2 LEU 18 HB2 LEU 18 -5.750 -11.712 2.196 128 HB3 LEU 18 HB1 LEU 18 -4.833 -11.485 3.676 129 HG LEU 18 HG LEU 18 -7.225 -9.863 2.818 130 HD11 LEU 18 HD11 LEU 18 -6.816 -11.915 4.922 131 HD12 LEU 18 HD12 LEU 18 -7.782 -12.089 3.445 132 HD13 LEU 18 HD13 LEU 18 -8.283 -10.953 4.714 133 HD21 LEU 18 HD21 LEU 18 -5.576 -9.756 5.346 134 HD22 LEU 18 HD22 LEU 18 -7.102 -8.919 5.090 135 HD23 LEU 18 HD23 LEU 18 -5.697 -8.489 4.122 136 H ARG 19 HN ARG 19 -4.156 -10.965 -0.096 137 HA ARG 19 HA ARG 19 -1.973 -12.693 0.403 138 HB2 ARG 19 HB2 ARG 19 -2.912 -11.502 -2.207 139 HB3 ARG 19 HB1 ARG 19 -1.782 -12.839 -2.062 140 HG2 ARG 19 HG2 ARG 19 -4.651 -12.856 -1.136 141 HG3 ARG 19 HG1 ARG 19 -4.021 -13.606 -2.605 142 HD2 ARG 19 HD2 ARG 19 -3.165 -14.312 0.199 143 HD3 ARG 19 HD1 ARG 19 -4.330 -15.220 -0.762 144 HE ARG 19 HE ARG 19 -2.336 -15.277 -2.410 145 HH11 ARG 19 HH11 ARG 19 -2.105 -15.644 1.126 146 HH12 ARG 19 HH12 ARG 19 -0.825 -16.742 1.071 147 HH21 ARG 19 HH21 ARG 19 -0.540 -16.800 -2.485 148 HH22 ARG 19 HH22 ARG 19 0.119 -17.378 -1.031 149 H LEU 20 HN LEU 20 -2.157 -9.377 -0.577 150 HA LEU 20 HA LEU 20 0.666 -9.171 -1.037 151 HB2 LEU 20 HB2 LEU 20 -0.750 -7.771 -2.340 152 HB3 LEU 20 HB1 LEU 20 -1.578 -7.167 -0.920 153 HG LEU 20 HG LEU 20 0.762 -6.190 -0.322 154 HD11 LEU 20 HD11 LEU 20 1.095 -6.581 -3.280 155 HD12 LEU 20 HD12 LEU 20 2.215 -7.081 -1.991 156 HD13 LEU 20 HD13 LEU 20 1.968 -5.395 -2.343 157 HD21 LEU 20 HD21 LEU 20 -1.170 -4.853 -0.684 158 HD22 LEU 20 HD22 LEU 20 -1.059 -5.070 -2.421 159 HD23 LEU 20 HD23 LEU 20 0.180 -4.129 -1.562 160 H LYS 21 HN LYS 21 -1.716 -8.226 1.345 161 HA LYS 21 HA LYS 21 -0.225 -6.628 3.040 162 HB2 LYS 21 HB2 LYS 21 -2.705 -6.940 3.054 163 HB3 LYS 21 HB1 LYS 21 -2.456 -8.504 3.815 164 HG2 LYS 21 HG2 LYS 21 -1.407 -7.393 5.721 165 HG3 LYS 21 HG1 LYS 21 -1.698 -5.834 4.963 166 HD2 LYS 21 HD2 LYS 21 -4.115 -6.277 5.005 167 HD3 LYS 21 HD1 LYS 21 -3.809 -7.824 5.798 168 HE2 LYS 21 HE2 LYS 21 -3.133 -5.094 6.883 169 HE3 LYS 21 HE1 LYS 21 -4.446 -6.136 7.435 170 HZ1 LYS 21 HZ1 LYS 21 -1.539 -6.713 7.631 171 HZ2 LYS 21 HZ2 LYS 21 -2.751 -7.770 8.087 172 HZ3 LYS 21 HZ3 LYS 21 -2.564 -6.317 8.912 173 H THR 22 HN THR 22 -0.900 -10.141 3.398 174 HA THR 22 HA THR 22 0.703 -10.528 5.641 175 HB THR 22 HB THR 22 -0.026 -12.558 3.515 176 HG1 THR 22 HG1 THR 22 -1.977 -12.716 4.534 177 HG21 THR 22 HG21 THR 22 -0.029 -14.128 5.410 178 HG22 THR 22 HG22 THR 22 0.432 -12.817 6.500 179 HG23 THR 22 HG23 THR 22 1.550 -13.355 5.244 180 H ALA 23 HN ALA 23 1.454 -10.448 2.226 181 HA ALA 23 HA ALA 23 4.047 -11.674 2.333 182 HB1 ALA 23 HB1 ALA 23 4.347 -10.719 0.124 183 HB2 ALA 23 HB2 ALA 23 2.928 -9.694 0.364 184 HB3 ALA 23 HB3 ALA 23 2.743 -11.449 0.249 185 H LEU 24 HN LEU 24 2.866 -8.407 2.621 186 HA LEU 24 HA LEU 24 5.448 -7.255 2.741 187 HB2 LEU 24 HB2 LEU 24 2.808 -6.207 3.727 188 HB3 LEU 24 HB1 LEU 24 4.259 -5.233 3.544 189 HG LEU 24 HG LEU 24 2.597 -6.505 1.375 190 HD11 LEU 24 HD11 LEU 24 2.252 -4.219 0.636 191 HD12 LEU 24 HD12 LEU 24 3.195 -3.634 2.004 192 HD13 LEU 24 HD13 LEU 24 1.671 -4.483 2.279 193 HD21 LEU 24 HD21 LEU 24 5.175 -4.974 1.076 194 HD22 LEU 24 HD22 LEU 24 4.122 -5.482 -0.241 195 HD23 LEU 24 HD23 LEU 24 4.943 -6.692 0.743 196 H THR 25 HN THR 25 3.124 -8.349 5.172 197 HA THR 25 HA THR 25 4.515 -7.698 7.480 198 HB THR 25 HB THR 25 2.834 -10.164 6.927 199 HG1 THR 25 HG1 THR 25 2.183 -7.599 7.873 200 HG21 THR 25 HG21 THR 25 4.087 -10.330 9.055 201 HG22 THR 25 HG22 THR 25 2.360 -10.132 9.352 202 HG23 THR 25 HG23 THR 25 3.451 -8.759 9.542 203 H ALA 26 HN ALA 26 4.768 -10.563 5.397 204 HA ALA 26 HA ALA 26 6.753 -11.910 6.896 205 HB1 ALA 26 HB1 ALA 26 5.341 -13.038 5.252 206 HB2 ALA 26 HB2 ALA 26 7.053 -13.289 4.901 207 HB3 ALA 26 HB3 ALA 26 6.120 -12.130 3.956 208 H ASN 27 HN ASN 27 6.900 -9.599 4.302 209 HA ASN 27 HA ASN 27 9.748 -9.754 3.946 210 HB2 ASN 27 HB2 ASN 27 7.502 -8.285 2.786 211 HB3 ASN 27 HB1 ASN 27 9.085 -7.489 2.608 212 HD21 ASN 27 HD21 ASN 27 6.980 -10.036 1.680 213 HD22 ASN 27 HD22 ASN 27 7.927 -10.683 0.401 214 H ARG 28 HN ARG 28 8.139 -8.598 6.462 215 HA ARG 28 HA ARG 28 8.546 -7.185 8.181 216 HB2 ARG 28 HB2 ARG 28 11.319 -7.012 6.953 217 HB3 ARG 28 HB1 ARG 28 10.893 -6.245 8.463 218 HG2 ARG 28 HG2 ARG 28 12.024 -8.213 9.062 219 HG3 ARG 28 HG1 ARG 28 10.324 -8.592 9.301 220 HD2 ARG 28 HD2 ARG 28 11.466 -10.449 8.225 221 HD3 ARG 28 HD1 ARG 28 10.293 -9.732 7.120 222 HE ARG 28 HE ARG 28 12.918 -8.636 6.831 223 HH11 ARG 28 HH11 ARG 28 10.789 -11.283 5.769 224 HH12 ARG 28 HH12 ARG 28 11.718 -11.662 4.401 225 HH21 ARG 28 HH21 ARG 28 14.153 -9.142 4.907 226 HH22 ARG 28 HH22 ARG 28 13.646 -10.400 3.888 227 H ILE 29 HN ILE 29 7.466 -6.131 5.686 228 HA ILE 29 HA ILE 29 8.564 -3.463 5.514 229 HB ILE 29 HB ILE 29 6.319 -4.839 3.989 230 HG12 ILE 29 HG12 ILE 29 9.089 -3.963 3.104 231 HG13 ILE 29 HG11 ILE 29 8.611 -5.613 3.474 232 HG21 ILE 29 HG21 ILE 29 5.822 -2.455 4.165 233 HG22 ILE 29 HG22 ILE 29 6.281 -2.877 2.514 234 HG23 ILE 29 HG23 ILE 29 7.436 -2.066 3.573 235 HD11 ILE 29 HD11 ILE 29 7.513 -3.915 1.250 236 HD12 ILE 29 HD12 ILE 29 7.094 -5.601 1.592 237 HD13 ILE 29 HD13 ILE 29 8.729 -5.182 1.090 238 H ALA 30 HN ALA 30 7.820 -1.772 6.570 239 HA ALA 30 HA ALA 30 5.673 -2.208 8.457 240 HB1 ALA 30 HB1 ALA 30 7.786 -1.256 9.250 241 HB2 ALA 30 HB2 ALA 30 6.459 -0.119 9.484 242 HB3 ALA 30 HB3 ALA 30 7.587 0.111 8.157 243 H TYR 31 HN TYR 31 3.656 -1.588 8.011 244 HA TYR 31 HA TYR 31 3.169 0.669 6.195 245 HB2 TYR 31 HB2 TYR 31 1.579 -0.627 4.873 246 HB3 TYR 31 HB1 TYR 31 3.167 -1.380 4.784 247 HD1 TYR 31 HD1 TYR 31 -0.268 -1.705 6.058 248 HD2 TYR 31 HD2 TYR 31 3.546 -3.585 5.807 249 HE1 TYR 31 HE1 TYR 31 -1.257 -3.804 6.829 250 HE2 TYR 31 HE2 TYR 31 2.542 -5.705 6.576 251 HH TYR 31 HH TYR 31 0.655 -6.394 7.854 252 H ASP 32 HN ASP 32 0.935 1.331 6.177 253 HA ASP 32 HA ASP 32 -0.522 0.605 8.610 254 HB2 ASP 32 HB2 ASP 32 0.522 2.818 8.918 255 HB3 ASP 32 HB1 ASP 32 -0.214 3.369 7.418 256 H GLU 33 HN GLU 33 -2.510 -0.051 8.172 257 HA GLU 33 HA GLU 33 -3.486 0.558 5.541 258 HB2 GLU 33 HB2 GLU 33 -5.118 -1.436 6.025 259 HB3 GLU 33 HB1 GLU 33 -3.475 -1.742 5.516 260 HG2 GLU 33 HG2 GLU 33 -3.970 -3.287 7.217 261 HG3 GLU 33 HG1 GLU 33 -2.904 -2.091 7.940 262 H VAL 34 HN VAL 34 -5.353 1.422 5.130 263 HA VAL 34 HA VAL 34 -6.053 3.218 7.251 264 HB VAL 34 HB VAL 34 -7.052 3.369 4.409 265 HG11 VAL 34 HG11 VAL 34 -6.780 5.489 6.545 266 HG12 VAL 34 HG12 VAL 34 -8.272 4.716 6.023 267 HG13 VAL 34 HG13 VAL 34 -7.384 5.745 4.900 268 HG21 VAL 34 HG21 VAL 34 -4.581 4.598 5.629 269 HG22 VAL 34 HG22 VAL 34 -5.200 4.934 4.013 270 HG23 VAL 34 HG23 VAL 34 -4.621 3.316 4.420 271 H ASP 35 HN ASP 35 -7.728 3.505 8.271 272 HA ASP 35 HA ASP 35 -9.725 1.757 8.972 273 HB2 ASP 35 HB2 ASP 35 -9.623 4.751 9.272 274 HB3 ASP 35 HB1 ASP 35 -10.663 3.681 10.187 275 H ILE 36 HN ILE 36 -9.769 3.065 6.033 276 HA ILE 36 HA ILE 36 -11.661 4.990 5.567 277 HB ILE 36 HB ILE 36 -11.980 4.090 3.291 278 HG12 ILE 36 HG12 ILE 36 -10.061 1.958 4.202 279 HG13 ILE 36 HG11 ILE 36 -11.771 1.706 3.882 280 HG21 ILE 36 HG21 ILE 36 -10.211 5.642 3.800 281 HG22 ILE 36 HG22 ILE 36 -9.732 4.480 2.566 282 HG23 ILE 36 HG23 ILE 36 -9.139 4.298 4.222 283 HD11 ILE 36 HD11 ILE 36 -11.439 2.262 1.561 284 HD12 ILE 36 HD12 ILE 36 -10.297 0.993 2.039 285 HD13 ILE 36 HD13 ILE 36 -9.765 2.684 1.907 286 H GLU 37 HN GLU 37 -12.597 1.647 6.148 287 HA GLU 37 HA GLU 37 -14.985 1.915 4.652 288 HB2 GLU 37 HB2 GLU 37 -15.671 -0.217 5.544 289 HB3 GLU 37 HB1 GLU 37 -13.995 -0.232 5.025 290 HG2 GLU 37 HG2 GLU 37 -13.227 -0.169 7.280 291 HG3 GLU 37 HG1 GLU 37 -14.878 0.029 7.880 292 H HIS 38 HN HIS 38 -14.203 3.099 7.697 293 HA HIS 38 HA HIS 38 -17.080 3.481 8.189 294 HB2 HIS 38 HB2 HIS 38 -15.812 2.193 9.963 295 HB3 HIS 38 HB1 HIS 38 -14.885 3.662 10.259 296 HD1 HIS 38 HD1 HIS 38 -15.845 5.192 12.047 297 HD2 HIS 38 HD2 HIS 38 -18.667 2.584 10.464 298 HE1 HIS 38 HE1 HIS 38 -17.930 5.525 13.393 299 H ASN 39 HN ASN 39 -14.436 5.049 6.988 300 HA ASN 39 HA ASN 39 -15.526 7.586 7.840 301 HB2 ASN 39 HB2 ASN 39 -13.229 8.609 7.990 302 HB3 ASN 39 HB1 ASN 39 -13.665 7.513 9.295 303 HD21 ASN 39 HD21 ASN 39 -11.399 8.241 6.773 304 HD22 ASN 39 HD22 ASN 39 -10.408 6.900 7.104 305 H ARG 40 HN ARG 40 -16.291 8.562 6.356 306 HA ARG 40 HA ARG 40 -16.133 8.067 3.667 307 HB2 ARG 40 HB2 ARG 40 -17.315 10.200 3.350 308 HB3 ARG 40 HB1 ARG 40 -17.992 9.234 4.648 309 HG2 ARG 40 HG2 ARG 40 -16.848 10.649 6.305 310 HG3 ARG 40 HG1 ARG 40 -16.156 11.594 4.998 311 HD2 ARG 40 HD2 ARG 40 -19.114 11.293 5.476 312 HD3 ARG 40 HD1 ARG 40 -18.140 12.628 6.085 313 HE ARG 40 HE ARG 40 -18.030 12.152 3.234 314 HH11 ARG 40 HH11 ARG 40 -19.391 14.099 5.868 315 HH12 ARG 40 HH12 ARG 40 -20.009 15.313 4.853 316 HH21 ARG 40 HH21 ARG 40 -18.835 13.869 1.830 317 HH22 ARG 40 HH22 ARG 40 -19.684 15.178 2.500 318 H ALA 41 HN ALA 41 -14.198 10.384 5.492 319 HA ALA 41 HA ALA 41 -13.307 12.039 3.453 320 HB1 ALA 41 HB1 ALA 41 -11.497 12.659 4.914 321 HB2 ALA 41 HB2 ALA 41 -11.754 11.212 5.890 322 HB3 ALA 41 HB3 ALA 41 -12.990 12.474 5.829 323 H ALA 42 HN ALA 42 -11.714 9.157 4.673 324 HA ALA 42 HA ALA 42 -9.750 9.377 2.564 325 HB1 ALA 42 HB1 ALA 42 -8.948 8.796 4.753 326 HB2 ALA 42 HB2 ALA 42 -8.679 7.434 3.659 327 HB3 ALA 42 HB3 ALA 42 -10.012 7.401 4.821 328 H ALA 43 HN ALA 43 -12.637 7.574 3.280 329 HA ALA 43 HA ALA 43 -12.208 5.406 1.512 330 HB1 ALA 43 HB1 ALA 43 -13.931 5.376 3.264 331 HB2 ALA 43 HB2 ALA 43 -14.607 5.024 1.673 332 HB3 ALA 43 HB3 ALA 43 -14.822 6.621 2.395 333 H GLU 44 HN GLU 44 -13.598 8.588 1.119 334 HA GLU 44 HA GLU 44 -14.506 8.173 -1.537 335 HB2 GLU 44 HB2 GLU 44 -15.208 9.945 0.213 336 HB3 GLU 44 HB1 GLU 44 -13.788 10.824 -0.328 337 HG2 GLU 44 HG2 GLU 44 -15.728 11.659 -1.471 338 HG3 GLU 44 HG1 GLU 44 -14.698 10.804 -2.621 339 H PHE 45 HN PHE 45 -11.528 9.121 -0.043 340 HA PHE 45 HA PHE 45 -10.248 10.241 -2.307 341 HB2 PHE 45 HB2 PHE 45 -9.499 10.735 -0.025 342 HB3 PHE 45 HB1 PHE 45 -9.088 9.048 0.224 343 HD1 PHE 45 HD2 PHE 45 -8.323 11.770 -2.212 344 HD2 PHE 45 HD1 PHE 45 -6.854 8.523 0.110 345 HE1 PHE 45 HE2 PHE 45 -6.048 12.228 -3.016 346 HE2 PHE 45 HE1 PHE 45 -4.576 8.978 -0.691 347 HZ PHE 45 HZ PHE 45 -4.170 10.830 -2.254 348 H VAL 46 HN VAL 46 -10.646 7.000 -1.121 349 HA VAL 46 HA VAL 46 -8.686 5.688 -2.674 350 HB VAL 46 HB VAL 46 -11.370 4.556 -1.807 351 HG11 VAL 46 HG11 VAL 46 -8.780 3.183 -2.494 352 HG12 VAL 46 HG12 VAL 46 -10.248 3.156 -3.465 353 HG13 VAL 46 HG13 VAL 46 -10.218 2.376 -1.874 354 HG21 VAL 46 HG21 VAL 46 -10.203 3.709 0.155 355 HG22 VAL 46 HG22 VAL 46 -10.159 5.471 0.094 356 HG23 VAL 46 HG23 VAL 46 -8.731 4.532 -0.355 357 H GLY 47 HN GLY 47 -11.892 6.830 -3.386 358 HA2 GLY 47 HA2 GLY 47 -12.122 5.517 -5.925 359 HA3 GLY 47 HA1 GLY 47 -13.125 6.844 -5.341 360 H SER 48 HN SER 48 -11.097 8.673 -4.777 361 HA SER 48 HA SER 48 -10.807 9.974 -7.232 362 HB2 SER 48 HB2 SER 48 -9.293 10.466 -4.668 363 HB3 SER 48 HB1 SER 48 -9.599 11.625 -5.964 364 HG SER 48 HG SER 48 -11.907 10.905 -5.492 365 H VAL 49 HN VAL 49 -8.641 7.780 -5.527 366 HA VAL 49 HA VAL 49 -6.486 8.483 -7.344 367 HB VAL 49 HB VAL 49 -5.049 6.922 -6.074 368 HG11 VAL 49 HG11 VAL 49 -6.529 8.933 -4.397 369 HG12 VAL 49 HG12 VAL 49 -5.141 9.247 -5.438 370 HG13 VAL 49 HG13 VAL 49 -4.956 8.236 -4.006 371 HG21 VAL 49 HG21 VAL 49 -5.860 5.959 -3.955 372 HG22 VAL 49 HG22 VAL 49 -6.739 5.312 -5.343 373 HG23 VAL 49 HG23 VAL 49 -7.484 6.542 -4.322 374 H ASN 50 HN ASN 50 -9.034 6.447 -7.527 375 HA ASN 50 HA ASN 50 -7.499 4.659 -9.275 376 HB2 ASN 50 HB2 ASN 50 -9.909 3.960 -7.620 377 HB3 ASN 50 HB1 ASN 50 -9.402 2.978 -8.988 378 HD21 ASN 50 HD21 ASN 50 -8.760 3.861 -5.721 379 HD22 ASN 50 HD22 ASN 50 -7.468 2.727 -5.479 380 H GLY 51 HN GLY 51 -10.368 6.613 -9.041 381 HA2 GLY 51 HA2 GLY 51 -11.037 7.705 -11.086 382 HA3 GLY 51 HA1 GLY 51 -10.666 6.210 -11.935 383 H GLY 52 HN GLY 52 -12.672 7.280 -9.199 384 HA2 GLY 52 HA2 GLY 52 -15.034 7.248 -9.192 385 HA3 GLY 52 HA1 GLY 52 -14.987 6.184 -10.574 386 H ASN 53 HN ASN 53 -13.350 4.244 -9.692 387 HA ASN 53 HA ASN 53 -15.183 2.826 -7.918 388 HB2 ASN 53 HB2 ASN 53 -12.854 1.776 -9.543 389 HB3 ASN 53 HB1 ASN 53 -13.950 0.790 -8.586 390 HD21 ASN 53 HD21 ASN 53 -13.512 2.584 -11.518 391 HD22 ASN 53 HD22 ASN 53 -14.975 2.067 -12.267 392 H ARG 54 HN ARG 54 -14.422 1.598 -6.147 393 HA ARG 54 HA ARG 54 -12.022 2.755 -4.982 394 HB2 ARG 54 HB2 ARG 54 -14.422 1.480 -3.656 395 HB3 ARG 54 HB1 ARG 54 -12.996 1.978 -2.776 396 HG2 ARG 54 HG2 ARG 54 -13.369 4.296 -3.512 397 HG3 ARG 54 HG1 ARG 54 -14.816 3.773 -4.366 398 HD2 ARG 54 HD2 ARG 54 -15.760 2.997 -2.216 399 HD3 ARG 54 HD1 ARG 54 -14.324 3.621 -1.398 400 HE ARG 54 HE ARG 54 -15.042 5.804 -2.549 401 HH11 ARG 54 HH11 ARG 54 -17.278 3.426 -1.114 402 HH12 ARG 54 HH12 ARG 54 -18.461 4.584 -0.758 403 HH21 ARG 54 HH21 ARG 54 -16.738 7.378 -2.066 404 HH22 ARG 54 HH22 ARG 54 -18.140 6.846 -1.284 405 H THR 55 HN THR 55 -10.704 1.391 -6.169 406 HA THR 55 HA THR 55 -10.846 -1.428 -5.957 407 HB THR 55 HB THR 55 -8.420 0.226 -6.672 408 HG1 THR 55 HG1 THR 55 -9.358 0.000 -8.855 409 HG21 THR 55 HG21 THR 55 -7.962 -1.700 -8.131 410 HG22 THR 55 HG22 THR 55 -9.457 -2.465 -7.594 411 HG23 THR 55 HG23 THR 55 -8.140 -2.213 -6.452 412 H VAL 56 HN VAL 56 -10.056 -2.663 -4.365 413 HA VAL 56 HA VAL 56 -8.845 -1.165 -2.693 414 HB VAL 56 HB VAL 56 -9.025 -2.706 -0.625 415 HG11 VAL 56 HG11 VAL 56 -9.372 -0.446 -0.771 416 HG12 VAL 56 HG12 VAL 56 -10.830 -1.163 -0.054 417 HG13 VAL 56 HG13 VAL 56 -10.840 -0.598 -1.741 418 HG21 VAL 56 HG21 VAL 56 -11.369 -3.249 -2.414 419 HG22 VAL 56 HG22 VAL 56 -11.394 -3.361 -0.635 420 HG23 VAL 56 HG23 VAL 56 -10.268 -4.359 -1.553 421 HA PRO 57 HA PRO 57 -5.600 -2.685 -1.155 422 HB2 PRO 57 HB2 PRO 57 -3.650 -4.286 -2.297 423 HB3 PRO 57 HB1 PRO 57 -4.987 -4.862 -1.293 424 HG2 PRO 57 HG2 PRO 57 -4.809 -4.711 -4.278 425 HG3 PRO 57 HG1 PRO 57 -5.468 -6.010 -3.268 426 HD2 PRO 57 HD2 PRO 57 -7.009 -4.144 -4.508 427 HD3 PRO 57 HD1 PRO 57 -7.422 -5.015 -3.007 428 H THR 58 HN THR 58 -5.386 -0.510 -2.047 429 HA THR 58 HA THR 58 -3.448 0.017 -4.150 430 HB THR 58 HB THR 58 -5.430 1.863 -2.788 431 HG1 THR 58 HG1 THR 58 -6.741 0.519 -3.930 432 HG21 THR 58 HG21 THR 58 -3.578 3.047 -3.915 433 HG22 THR 58 HG22 THR 58 -5.104 3.269 -4.789 434 HG23 THR 58 HG23 THR 58 -3.912 2.129 -5.390 435 H VAL 59 HN VAL 59 -1.533 0.857 -3.567 436 HA VAL 59 HA VAL 59 -1.244 1.641 -0.768 437 HB VAL 59 HB VAL 59 0.045 -0.429 -1.266 438 HG11 VAL 59 HG11 VAL 59 1.346 1.213 -3.340 439 HG12 VAL 59 HG12 VAL 59 0.342 -0.216 -3.584 440 HG13 VAL 59 HG13 VAL 59 1.926 -0.363 -2.782 441 HG21 VAL 59 HG21 VAL 59 2.256 0.304 -0.513 442 HG22 VAL 59 HG22 VAL 59 0.978 1.129 0.383 443 HG23 VAL 59 HG23 VAL 59 1.834 1.974 -0.901 444 H LYS 60 HN LYS 60 -0.565 3.569 -0.377 445 HA LYS 60 HA LYS 60 0.440 5.197 -2.591 446 HB2 LYS 60 HB2 LYS 60 -1.535 6.125 -1.479 447 HB3 LYS 60 HB1 LYS 60 -0.742 5.986 0.076 448 HG2 LYS 60 HG2 LYS 60 0.886 7.661 -0.555 449 HG3 LYS 60 HG1 LYS 60 0.179 7.771 -2.165 450 HD2 LYS 60 HD2 LYS 60 -0.569 9.618 -0.732 451 HD3 LYS 60 HD1 LYS 60 -1.913 8.584 -1.214 452 HE2 LYS 60 HE2 LYS 60 -2.089 9.231 1.130 453 HE3 LYS 60 HE1 LYS 60 -1.870 7.496 0.981 454 HZ1 LYS 60 HZ1 LYS 60 0.442 7.744 1.637 455 HZ2 LYS 60 HZ2 LYS 60 -0.492 8.532 2.777 456 HZ3 LYS 60 HZ3 LYS 60 0.323 9.406 1.608 457 H PHE 61 HN PHE 61 2.511 5.501 -2.641 458 HA PHE 61 HA PHE 61 4.162 4.791 -0.351 459 HB2 PHE 61 HB2 PHE 61 4.794 5.433 -3.228 460 HB3 PHE 61 HB1 PHE 61 6.041 5.278 -2.004 461 HD1 PHE 61 HD2 PHE 61 3.416 3.451 -3.861 462 HD2 PHE 61 HD1 PHE 61 6.777 3.165 -1.267 463 HE1 PHE 61 HE2 PHE 61 3.540 1.009 -4.261 464 HE2 PHE 61 HE1 PHE 61 6.898 0.780 -1.664 465 HZ PHE 61 HZ PHE 61 5.260 -0.317 -3.168 466 H ALA 62 HN ALA 62 5.997 6.199 0.141 467 HA ALA 62 HA ALA 62 5.268 8.891 0.638 468 HB1 ALA 62 HB1 ALA 62 7.997 7.603 0.748 469 HB2 ALA 62 HB2 ALA 62 6.830 7.641 2.071 470 HB3 ALA 62 HB3 ALA 62 7.549 9.141 1.480 471 H ASP 63 HN ASP 63 6.361 7.369 -2.074 472 HA ASP 63 HA ASP 63 7.953 9.356 -3.372 473 HB2 ASP 63 HB2 ASP 63 7.953 6.974 -4.031 474 HB3 ASP 63 HB1 ASP 63 6.271 7.104 -4.511 475 H GLY 64 HN GLY 64 4.588 8.987 -2.770 476 HA2 GLY 64 HA2 GLY 64 3.022 10.727 -3.098 477 HA3 GLY 64 HA1 GLY 64 3.980 11.303 -4.458 478 H SER 65 HN SER 65 4.262 8.448 -5.330 479 HA SER 65 HA SER 65 1.963 8.397 -7.048 480 HB2 SER 65 HB2 SER 65 4.237 6.415 -6.781 481 HB3 SER 65 HB1 SER 65 3.119 6.555 -8.135 482 HG SER 65 HG SER 65 5.325 8.114 -7.459 483 H THR 66 HN THR 66 0.417 6.690 -7.134 484 HA THR 66 HA THR 66 0.343 4.987 -4.758 485 HB THR 66 HB THR 66 -2.109 4.847 -5.098 486 HG1 THR 66 HG1 THR 66 -1.787 6.905 -7.024 487 HG21 THR 66 HG21 THR 66 -2.713 7.136 -4.420 488 HG22 THR 66 HG22 THR 66 -1.126 7.701 -4.941 489 HG23 THR 66 HG23 THR 66 -1.259 6.580 -3.586 490 H LEU 67 HN LEU 67 0.130 2.850 -5.108 491 HA LEU 67 HA LEU 67 -0.041 2.005 -7.895 492 HB2 LEU 67 HB2 LEU 67 1.678 0.915 -5.693 493 HB3 LEU 67 HB1 LEU 67 1.181 -0.117 -7.012 494 HG LEU 67 HG LEU 67 2.248 1.520 -8.572 495 HD11 LEU 67 HD11 LEU 67 3.492 2.709 -6.097 496 HD12 LEU 67 HD12 LEU 67 2.363 3.485 -7.200 497 HD13 LEU 67 HD13 LEU 67 3.961 3.027 -7.765 498 HD21 LEU 67 HD21 LEU 67 3.981 0.084 -6.589 499 HD22 LEU 67 HD22 LEU 67 4.521 0.705 -8.159 500 HD23 LEU 67 HD23 LEU 67 3.295 -0.554 -8.084 501 H THR 68 HN THR 68 -1.828 1.082 -8.331 502 HA THR 68 HA THR 68 -3.430 -0.012 -6.222 503 HB THR 68 HB THR 68 -3.935 0.217 -9.190 504 HG1 THR 68 HG1 THR 68 -5.409 1.886 -7.741 505 HG21 THR 68 HG21 THR 68 -5.330 -1.457 -8.069 506 HG22 THR 68 HG22 THR 68 -6.287 -0.054 -8.546 507 HG23 THR 68 HG23 THR 68 -5.806 -0.262 -6.864 508 H ASN 69 HN ASN 69 -2.992 -1.991 -5.615 509 HA ASN 69 HA ASN 69 -2.466 -4.147 -5.532 510 HB2 ASN 69 HB2 ASN 69 -4.626 -4.221 -6.841 511 HB3 ASN 69 HB1 ASN 69 -3.672 -4.321 -8.310 512 HD21 ASN 69 HD21 ASN 69 -5.603 -6.210 -7.353 513 HD22 ASN 69 HD22 ASN 69 -4.760 -7.705 -7.118 514 HA PRO 70 HA PRO 70 1.367 -4.272 -8.118 515 HB2 PRO 70 HB2 PRO 70 3.189 -3.428 -6.422 516 HB3 PRO 70 HB1 PRO 70 2.087 -2.237 -7.132 517 HG2 PRO 70 HG2 PRO 70 1.964 -3.562 -4.451 518 HG3 PRO 70 HG1 PRO 70 1.777 -1.829 -4.829 519 HD2 PRO 70 HD2 PRO 70 -0.337 -3.602 -4.481 520 HD3 PRO 70 HD1 PRO 70 -0.435 -2.104 -5.423 521 H SER 71 HN SER 71 3.508 -5.537 -7.329 522 HA SER 71 HA SER 71 2.578 -7.752 -5.680 523 HB2 SER 71 HB2 SER 71 3.564 -8.145 -7.989 524 HB3 SER 71 HB1 SER 71 5.101 -7.592 -7.311 525 HG SER 71 HG SER 71 4.063 -9.979 -7.254 526 H ALA 72 HN ALA 72 4.274 -8.697 -4.241 527 HA ALA 72 HA ALA 72 4.904 -6.798 -2.249 528 HB1 ALA 72 HB1 ALA 72 4.327 -9.103 -1.768 529 HB2 ALA 72 HB2 ALA 72 5.895 -8.681 -1.056 530 HB3 ALA 72 HB3 ALA 72 5.817 -9.629 -2.547 531 H ASP 73 HN ASP 73 6.913 -8.557 -4.549 532 HA ASP 73 HA ASP 73 9.439 -7.711 -3.653 533 HB2 ASP 73 HB2 ASP 73 9.288 -9.525 -5.223 534 HB3 ASP 73 HB1 ASP 73 8.497 -8.492 -6.408 535 H GLU 74 HN GLU 74 7.130 -6.255 -5.791 536 HA GLU 74 HA GLU 74 8.809 -4.181 -6.749 537 HB2 GLU 74 HB2 GLU 74 5.805 -4.278 -6.619 538 HB3 GLU 74 HB1 GLU 74 6.773 -3.203 -7.622 539 HG2 GLU 74 HG2 GLU 74 7.649 -5.124 -8.834 540 HG3 GLU 74 HG1 GLU 74 6.665 -6.196 -7.838 541 H VAL 75 HN VAL 75 6.431 -4.458 -4.155 542 HA VAL 75 HA VAL 75 6.521 -1.792 -3.318 543 HB VAL 75 HB VAL 75 6.052 -4.258 -1.591 544 HG11 VAL 75 HG11 VAL 75 5.368 -1.367 -1.027 545 HG12 VAL 75 HG12 VAL 75 6.620 -2.308 -0.221 546 HG13 VAL 75 HG13 VAL 75 4.924 -2.746 -0.020 547 HG21 VAL 75 HG21 VAL 75 4.465 -4.082 -3.427 548 HG22 VAL 75 HG22 VAL 75 4.094 -2.420 -2.964 549 HG23 VAL 75 HG23 VAL 75 3.668 -3.750 -1.887 550 H LYS 76 HN LYS 76 8.487 -4.551 -2.439 551 HA LYS 76 HA LYS 76 10.151 -3.330 -0.544 552 HB2 LYS 76 HB2 LYS 76 10.040 -5.721 -0.811 553 HB3 LYS 76 HB1 LYS 76 10.654 -5.620 -2.457 554 HG2 LYS 76 HG2 LYS 76 12.813 -4.825 -1.531 555 HG3 LYS 76 HG1 LYS 76 12.163 -5.047 0.094 556 HD2 LYS 76 HD2 LYS 76 11.801 -7.433 -0.370 557 HD3 LYS 76 HD1 LYS 76 12.430 -7.212 -2.000 558 HE2 LYS 76 HE2 LYS 76 14.133 -8.181 -0.608 559 HE3 LYS 76 HE1 LYS 76 14.596 -6.537 -1.026 560 HZ1 LYS 76 HZ1 LYS 76 13.373 -7.371 1.544 561 HZ2 LYS 76 HZ2 LYS 76 13.866 -5.811 1.168 562 HZ3 LYS 76 HZ3 LYS 76 15.007 -7.043 1.306 563 H ALA 77 HN ALA 77 10.481 -3.563 -4.085 564 HA ALA 77 HA ALA 77 13.038 -2.247 -4.152 565 HB1 ALA 77 HB1 ALA 77 12.830 -2.351 -6.564 566 HB2 ALA 77 HB2 ALA 77 11.118 -2.760 -6.423 567 HB3 ALA 77 HB3 ALA 77 12.345 -3.895 -5.862 568 H LYS 78 HN LYS 78 9.763 -1.141 -4.301 569 HA LYS 78 HA LYS 78 10.551 1.561 -5.101 570 HB2 LYS 78 HB2 LYS 78 7.942 0.469 -4.052 571 HB3 LYS 78 HB1 LYS 78 8.182 2.106 -4.654 572 HG2 LYS 78 HG2 LYS 78 8.571 -0.384 -6.291 573 HG3 LYS 78 HG1 LYS 78 7.058 0.510 -6.204 574 HD2 LYS 78 HD2 LYS 78 8.161 2.477 -7.134 575 HD3 LYS 78 HD1 LYS 78 9.703 1.619 -7.172 576 HE2 LYS 78 HE2 LYS 78 8.790 0.002 -8.743 577 HE3 LYS 78 HE1 LYS 78 7.212 0.777 -8.653 578 HZ1 LYS 78 HZ1 LYS 78 9.687 2.047 -9.716 579 HZ2 LYS 78 HZ2 LYS 78 8.146 2.741 -9.671 580 HZ3 LYS 78 HZ3 LYS 78 8.433 1.407 -10.633 581 H LEU 79 HN LEU 79 10.122 -0.278 -2.224 582 HA LEU 79 HA LEU 79 9.833 1.869 -0.470 583 HB2 LEU 79 HB2 LEU 79 9.380 -0.598 0.078 584 HB3 LEU 79 HB1 LEU 79 11.105 -0.791 0.126 585 HG LEU 79 HG LEU 79 11.164 0.885 1.981 586 HD11 LEU 79 HD11 LEU 79 9.127 2.060 1.845 587 HD12 LEU 79 HD12 LEU 79 9.009 1.053 3.279 588 HD13 LEU 79 HD13 LEU 79 8.225 0.557 1.782 589 HD21 LEU 79 HD21 LEU 79 10.468 -0.730 3.682 590 HD22 LEU 79 HD22 LEU 79 11.389 -1.498 2.389 591 HD23 LEU 79 HD23 LEU 79 9.632 -1.664 2.442 592 H VAL 80 HN VAL 80 12.575 0.083 -1.704 593 HA VAL 80 HA VAL 80 14.514 1.247 -0.082 594 HB VAL 80 HB VAL 80 16.214 0.444 -1.627 595 HG11 VAL 80 HG11 VAL 80 15.297 -1.132 -0.069 596 HG12 VAL 80 HG12 VAL 80 15.662 -1.945 -1.593 597 HG13 VAL 80 HG13 VAL 80 13.997 -1.531 -1.191 598 HG21 VAL 80 HG21 VAL 80 13.941 -0.264 -3.472 599 HG22 VAL 80 HG22 VAL 80 15.616 -0.772 -3.678 600 HG23 VAL 80 HG23 VAL 80 15.193 0.943 -3.761 601 H LYS 81 HN LYS 81 13.104 2.444 -3.048 602 HA LYS 81 HA LYS 81 15.107 4.496 -3.243 603 HB2 LYS 81 HB2 LYS 81 13.889 5.396 -5.118 604 HB3 LYS 81 HB1 LYS 81 13.962 3.651 -5.279 605 HG2 LYS 81 HG2 LYS 81 11.664 3.458 -4.503 606 HG3 LYS 81 HG1 LYS 81 11.591 5.201 -4.278 607 HD2 LYS 81 HD2 LYS 81 12.010 3.789 -6.916 608 HD3 LYS 81 HD1 LYS 81 10.491 4.485 -6.362 609 HE2 LYS 81 HE2 LYS 81 13.054 6.006 -6.900 610 HE3 LYS 81 HE1 LYS 81 11.647 5.954 -7.941 611 HZ1 LYS 81 HZ1 LYS 81 10.355 7.148 -6.201 612 HZ2 LYS 81 HZ2 LYS 81 11.742 7.968 -6.638 613 HZ3 LYS 81 HZ3 LYS 81 11.725 7.139 -5.203 614 H ILE 82 HN ILE 82 11.972 4.167 -1.756 615 HA ILE 82 HA ILE 82 11.773 7.016 -1.516 616 HB ILE 82 HB ILE 82 9.546 6.768 -0.592 617 HG12 ILE 82 HG12 ILE 82 8.578 4.290 -0.623 618 HG13 ILE 82 HG11 ILE 82 10.258 3.870 -0.322 619 HG21 ILE 82 HG21 ILE 82 8.426 5.654 -2.445 620 HG22 ILE 82 HG22 ILE 82 9.941 4.893 -2.907 621 HG23 ILE 82 HG23 ILE 82 9.777 6.651 -2.993 622 HD11 ILE 82 HD11 ILE 82 8.966 3.981 1.753 623 HD12 ILE 82 HD12 ILE 82 8.560 5.656 1.404 624 HD13 ILE 82 HD13 ILE 82 10.235 5.206 1.716 625 H ALA 83 HN ALA 83 12.623 4.373 0.500 626 HA ALA 83 HA ALA 83 12.857 6.180 2.786 627 HB1 ALA 83 HB1 ALA 83 11.698 4.059 3.185 628 HB2 ALA 83 HB2 ALA 83 13.193 4.157 4.121 629 HB3 ALA 83 HB3 ALA 83 13.130 3.189 2.647 630 H GLY 84 HN GLY 84 14.749 3.592 1.228 631 HA2 GLY 84 HA2 GLY 84 16.996 3.529 0.737 632 HA3 GLY 84 HA1 GLY 84 17.159 5.162 1.374 633 H LEU 85 HN LEU 85 15.578 2.808 3.318 634 HA LEU 85 HA LEU 85 17.854 2.953 5.136 635 HB2 LEU 85 HB2 LEU 85 15.614 3.713 5.916 636 HB3 LEU 85 HB1 LEU 85 15.028 2.077 5.723 637 HG LEU 85 HG LEU 85 16.599 1.312 7.464 638 HD11 LEU 85 HD11 LEU 85 17.253 4.245 7.724 639 HD12 LEU 85 HD12 LEU 85 18.358 2.970 7.198 640 HD13 LEU 85 HD13 LEU 85 17.748 2.987 8.851 641 HD21 LEU 85 HD21 LEU 85 14.323 1.961 8.041 642 HD22 LEU 85 HD22 LEU 85 14.857 3.624 8.299 643 HD23 LEU 85 HD23 LEU 85 15.447 2.332 9.346 644 H GLU 86 HN GLU 86 15.563 0.583 3.795 645 HA GLU 86 HA GLU 86 16.940 -1.671 4.834 646 HB2 GLU 86 HB2 GLU 86 14.536 -1.661 4.125 647 HB3 GLU 86 HB1 GLU 86 15.065 -1.533 2.456 648 HG2 GLU 86 HG2 GLU 86 16.157 -3.694 2.617 649 HG3 GLU 86 HG1 GLU 86 15.688 -3.812 4.309 650 H HIS 87 HN HIS 87 16.920 -0.019 1.741 651 HA HIS 87 HA HIS 87 19.621 -0.483 1.137 652 HB2 HIS 87 HB2 HIS 87 17.521 -2.103 -0.305 653 HB3 HIS 87 HB1 HIS 87 18.859 -1.455 -1.226 654 HD1 HIS 87 HD1 HIS 87 17.933 -4.518 -0.100 655 HD2 HIS 87 HD2 HIS 87 21.369 -2.286 0.561 656 HE1 HIS 87 HE1 HIS 87 19.756 -6.177 0.445 657 H HIS 88 HN HIS 88 19.822 0.397 -1.285 658 HA HIS 88 HA HIS 88 17.674 2.142 -1.941 659 HB2 HIS 88 HB2 HIS 88 19.126 4.157 -2.238 660 HB3 HIS 88 HB1 HIS 88 19.000 3.677 -0.561 661 HD1 HIS 88 HD1 HIS 88 21.449 4.309 -3.282 662 HD2 HIS 88 HD2 HIS 88 21.439 2.615 0.520 663 HE1 HIS 88 HE1 HIS 88 23.843 4.279 -2.530 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 5.838 5.365 13.824 2 H2 MET 1 HT2 MET 1 7.159 6.125 14.516 3 H3 MET 1 HT3 MET 1 5.669 6.116 15.311 4 HA MET 1 HA MET 1 7.216 4.555 16.308 5 HB2 MET 1 HB2 MET 1 4.790 4.125 16.386 6 HB3 MET 1 HB1 MET 1 4.888 3.270 14.856 7 HG2 MET 1 HG2 MET 1 6.403 1.625 15.973 8 HG3 MET 1 HG1 MET 1 6.078 2.465 17.485 9 HE1 MET 1 HE1 MET 1 2.253 1.879 18.009 10 HE2 MET 1 HE2 MET 1 2.991 3.263 17.204 11 HE3 MET 1 HE3 MET 1 3.724 2.597 18.663 12 H VAL 2 HN VAL 2 6.167 3.356 13.093 13 HA VAL 2 HA VAL 2 8.797 2.121 12.806 14 HB VAL 2 HB VAL 2 7.684 0.387 11.381 15 HG11 VAL 2 HG11 VAL 2 6.738 -0.928 13.214 16 HG12 VAL 2 HG12 VAL 2 6.668 0.519 14.214 17 HG13 VAL 2 HG13 VAL 2 8.230 -0.121 13.700 18 HG21 VAL 2 HG21 VAL 2 5.660 1.635 10.801 19 HG22 VAL 2 HG22 VAL 2 5.124 1.555 12.481 20 HG23 VAL 2 HG23 VAL 2 5.262 0.078 11.526 21 H THR 3 HN THR 3 9.177 1.668 10.376 22 HA THR 3 HA THR 3 8.892 4.179 9.058 23 HB THR 3 HB THR 3 10.205 1.630 8.089 24 HG1 THR 3 HG1 THR 3 12.036 3.292 8.847 25 HG21 THR 3 HG21 THR 3 11.507 3.158 6.654 26 HG22 THR 3 HG22 THR 3 10.601 4.531 7.291 27 HG23 THR 3 HG23 THR 3 9.781 3.308 6.322 28 H ALA 4 HN ALA 4 6.564 4.008 8.925 29 HA ALA 4 HA ALA 4 5.598 2.195 6.867 30 HB1 ALA 4 HB1 ALA 4 4.039 4.157 8.555 31 HB2 ALA 4 HB2 ALA 4 4.215 2.436 8.899 32 HB3 ALA 4 HB3 ALA 4 3.348 2.964 7.457 33 H ALA 5 HN ALA 5 6.629 3.033 5.160 34 HA ALA 5 HA ALA 5 6.235 5.832 4.443 35 HB1 ALA 5 HB1 ALA 5 7.825 3.679 3.074 36 HB2 ALA 5 HB2 ALA 5 8.470 4.858 4.219 37 HB3 ALA 5 HB3 ALA 5 7.847 5.392 2.653 38 H LEU 6 HN LEU 6 4.478 3.171 4.146 39 HA LEU 6 HA LEU 6 3.229 4.115 1.712 40 HB2 LEU 6 HB2 LEU 6 2.624 1.755 1.148 41 HB3 LEU 6 HB1 LEU 6 4.285 2.177 0.859 42 HG LEU 6 HG LEU 6 3.469 0.745 3.355 43 HD11 LEU 6 HD11 LEU 6 2.590 -0.541 1.447 44 HD12 LEU 6 HD12 LEU 6 3.970 -1.364 2.178 45 HD13 LEU 6 HD13 LEU 6 4.174 -0.466 0.675 46 HD21 LEU 6 HD21 LEU 6 5.760 -0.106 3.237 47 HD22 LEU 6 HD22 LEU 6 5.728 1.661 3.249 48 HD23 LEU 6 HD23 LEU 6 6.007 0.791 1.737 49 H THR 7 HN THR 7 1.168 4.269 1.752 50 HA THR 7 HA THR 7 -0.280 3.431 4.149 51 HB THR 7 HB THR 7 -1.020 5.482 2.047 52 HG1 THR 7 HG1 THR 7 0.705 5.568 4.197 53 HG21 THR 7 HG21 THR 7 -2.882 4.610 3.398 54 HG22 THR 7 HG22 THR 7 -2.554 6.299 3.771 55 HG23 THR 7 HG23 THR 7 -2.010 5.030 4.872 56 H ILE 8 HN ILE 8 -1.751 1.832 3.823 57 HA ILE 8 HA ILE 8 -2.378 1.125 1.040 58 HB ILE 8 HB ILE 8 -2.129 -0.713 3.432 59 HG12 ILE 8 HG12 ILE 8 -0.506 -0.493 0.891 60 HG13 ILE 8 HG11 ILE 8 0.018 -0.024 2.501 61 HG21 ILE 8 HG21 ILE 8 -3.959 -1.412 2.022 62 HG22 ILE 8 HG22 ILE 8 -2.631 -2.569 1.915 63 HG23 ILE 8 HG23 ILE 8 -2.926 -1.441 0.590 64 HD11 ILE 8 HD11 ILE 8 0.974 -2.146 1.848 65 HD12 ILE 8 HD12 ILE 8 -0.640 -2.805 1.589 66 HD13 ILE 8 HD13 ILE 8 -0.122 -2.353 3.216 67 H TYR 9 HN TYR 9 -4.394 0.943 0.480 68 HA TYR 9 HA TYR 9 -6.422 1.704 2.373 69 HB2 TYR 9 HB2 TYR 9 -6.472 1.220 -0.608 70 HB3 TYR 9 HB1 TYR 9 -7.860 1.804 0.291 71 HD1 TYR 9 HD2 TYR 9 -7.770 4.070 1.345 72 HD2 TYR 9 HD1 TYR 9 -4.664 2.654 -1.171 73 HE1 TYR 9 HE2 TYR 9 -6.891 6.354 1.147 74 HE2 TYR 9 HE1 TYR 9 -3.769 4.917 -1.368 75 HH TYR 9 HH TYR 9 -4.816 7.407 0.659 76 H THR 10 HN THR 10 -7.819 0.270 3.355 77 HA THR 10 HA THR 10 -7.967 -2.427 2.276 78 HB THR 10 HB THR 10 -7.827 -3.193 4.710 79 HG1 THR 10 HG1 THR 10 -6.936 -1.828 6.156 80 HG21 THR 10 HG21 THR 10 -6.091 -3.667 3.019 81 HG22 THR 10 HG22 THR 10 -5.384 -3.392 4.615 82 HG23 THR 10 HG23 THR 10 -5.325 -2.120 3.387 83 H THR 11 HN THR 11 -9.812 -3.522 2.722 84 HA THR 11 HA THR 11 -11.677 -2.645 4.717 85 HB THR 11 HB THR 11 -12.664 -3.034 1.799 86 HG1 THR 11 HG1 THR 11 -11.639 -0.893 2.998 87 HG21 THR 11 HG21 THR 11 -14.034 -2.241 4.341 88 HG22 THR 11 HG22 THR 11 -14.276 -3.738 3.454 89 HG23 THR 11 HG23 THR 11 -14.763 -2.186 2.744 90 H SER 12 HN SER 12 -12.896 -4.491 5.453 91 HA SER 12 HA SER 12 -11.365 -6.863 5.134 92 HB2 SER 12 HB2 SER 12 -12.999 -7.818 6.787 93 HB3 SER 12 HB1 SER 12 -12.185 -6.347 7.309 94 HG SER 12 HG SER 12 -14.075 -5.169 6.752 95 H TRP 13 HN TRP 13 -13.724 -5.697 3.262 96 HA TRP 13 HA TRP 13 -15.438 -7.698 2.507 97 HB2 TRP 13 HB2 TRP 13 -14.162 -5.520 0.997 98 HB3 TRP 13 HB1 TRP 13 -15.374 -6.582 0.311 99 HD1 TRP 13 HD1 TRP 13 -16.486 -4.128 0.105 100 HE1 TRP 13 HE1 TRP 13 -18.110 -3.060 1.592 101 HE3 TRP 13 HE3 TRP 13 -15.750 -6.867 4.404 102 HZ2 TRP 13 HZ2 TRP 13 -19.106 -3.217 4.229 103 HZ3 TRP 13 HZ3 TRP 13 -17.124 -6.318 6.357 104 HH2 TRP 13 HH2 TRP 13 -18.767 -4.528 6.273 105 H CYS 14 HN CYS 14 -12.204 -6.844 1.588 106 HA CYS 14 HA CYS 14 -12.121 -8.560 -0.728 107 HB2 CYS 14 HB2 CYS 14 -11.547 -6.329 -1.111 108 HB3 CYS 14 HB1 CYS 14 -10.484 -6.282 0.285 109 H GLY 15 HN GLY 15 -10.959 -10.347 -0.847 110 HA2 GLY 15 HA2 GLY 15 -9.385 -11.190 1.456 111 HA3 GLY 15 HA1 GLY 15 -9.882 -12.202 0.107 112 H TYR 16 HN TYR 16 -8.943 -10.418 -1.971 113 HA TYR 16 HA TYR 16 -6.283 -11.326 -2.214 114 HB2 TYR 16 HB2 TYR 16 -7.614 -10.833 -4.190 115 HB3 TYR 16 HB1 TYR 16 -7.737 -9.141 -3.729 116 HD1 TYR 16 HD1 TYR 16 -5.193 -11.730 -4.549 117 HD2 TYR 16 HD2 TYR 16 -6.227 -7.609 -4.667 118 HE1 TYR 16 HE1 TYR 16 -3.174 -11.265 -5.865 119 HE2 TYR 16 HE2 TYR 16 -4.200 -7.134 -5.976 120 HH TYR 16 HH TYR 16 -2.426 -9.639 -7.400 121 H CYS 17 HN CYS 17 -7.625 -8.303 -1.173 122 HA CYS 17 HA CYS 17 -5.454 -6.692 -1.044 123 HB2 CYS 17 HB2 CYS 17 -7.746 -6.904 0.884 124 HB3 CYS 17 HB1 CYS 17 -6.707 -5.495 0.689 125 H LEU 18 HN LEU 18 -6.678 -9.103 1.246 126 HA LEU 18 HA LEU 18 -4.848 -8.608 3.361 127 HB2 LEU 18 HB2 LEU 18 -7.134 -9.522 3.633 128 HB3 LEU 18 HB1 LEU 18 -6.641 -10.972 2.802 129 HG LEU 18 HG LEU 18 -5.291 -10.178 5.385 130 HD11 LEU 18 HD11 LEU 18 -6.968 -11.519 6.569 131 HD12 LEU 18 HD12 LEU 18 -7.879 -11.682 5.059 132 HD13 LEU 18 HD13 LEU 18 -7.667 -10.093 5.797 133 HD21 LEU 18 HD21 LEU 18 -5.017 -12.607 5.610 134 HD22 LEU 18 HD22 LEU 18 -4.329 -12.042 4.088 135 HD23 LEU 18 HD23 LEU 18 -5.890 -12.858 4.099 136 H ARG 19 HN ARG 19 -4.917 -10.630 0.558 137 HA ARG 19 HA ARG 19 -2.962 -12.533 1.233 138 HB2 ARG 19 HB2 ARG 19 -4.552 -12.672 -0.689 139 HB3 ARG 19 HB1 ARG 19 -3.621 -11.428 -1.498 140 HG2 ARG 19 HG2 ARG 19 -3.075 -13.623 -2.363 141 HG3 ARG 19 HG1 ARG 19 -1.680 -12.915 -1.543 142 HD2 ARG 19 HD2 ARG 19 -2.043 -15.321 -1.017 143 HD3 ARG 19 HD1 ARG 19 -2.062 -14.277 0.399 144 HE ARG 19 HE ARG 19 -4.535 -14.372 0.223 145 HH11 ARG 19 HH11 ARG 19 -2.607 -17.027 -1.078 146 HH12 ARG 19 HH12 ARG 19 -3.834 -18.180 -0.890 147 HH21 ARG 19 HH21 ARG 19 -6.184 -15.873 0.454 148 HH22 ARG 19 HH22 ARG 19 -5.986 -17.502 -0.007 149 H LEU 20 HN LEU 20 -2.747 -9.468 -0.503 150 HA LEU 20 HA LEU 20 0.060 -9.581 -0.756 151 HB2 LEU 20 HB2 LEU 20 -1.154 -8.268 -2.341 152 HB3 LEU 20 HB1 LEU 20 -1.927 -7.338 -1.085 153 HG LEU 20 HG LEU 20 0.373 -6.371 -0.571 154 HD11 LEU 20 HD11 LEU 20 1.073 -7.655 -3.201 155 HD12 LEU 20 HD12 LEU 20 1.963 -7.770 -1.657 156 HD13 LEU 20 HD13 LEU 20 1.895 -6.272 -2.534 157 HD21 LEU 20 HD21 LEU 20 -1.354 -5.099 -1.656 158 HD22 LEU 20 HD22 LEU 20 -0.917 -5.803 -3.214 159 HD23 LEU 20 HD23 LEU 20 0.217 -4.731 -2.376 160 H LYS 21 HN LYS 21 -2.178 -8.079 1.440 161 HA LYS 21 HA LYS 21 -0.605 -6.383 2.956 162 HB2 LYS 21 HB2 LYS 21 -3.106 -6.705 2.979 163 HB3 LYS 21 HB1 LYS 21 -2.839 -8.134 3.958 164 HG2 LYS 21 HG2 LYS 21 -1.866 -6.748 5.703 165 HG3 LYS 21 HG1 LYS 21 -2.138 -5.318 4.708 166 HD2 LYS 21 HD2 LYS 21 -4.545 -5.798 4.698 167 HD3 LYS 21 HD1 LYS 21 -4.259 -7.188 5.751 168 HE2 LYS 21 HE2 LYS 21 -3.307 -5.679 7.443 169 HE3 LYS 21 HE1 LYS 21 -3.654 -4.304 6.394 170 HZ1 LYS 21 HZ1 LYS 21 -5.352 -4.450 7.964 171 HZ2 LYS 21 HZ2 LYS 21 -5.549 -6.092 7.770 172 HZ3 LYS 21 HZ3 LYS 21 -6.073 -5.045 6.548 173 H THR 22 HN THR 22 -1.284 -9.838 3.486 174 HA THR 22 HA THR 22 0.372 -10.048 5.767 175 HB THR 22 HB THR 22 0.143 -12.564 5.298 176 HG1 THR 22 HG1 THR 22 -1.906 -11.715 3.546 177 HG21 THR 22 HG21 THR 22 -2.197 -12.586 6.054 178 HG22 THR 22 HG22 THR 22 -2.345 -10.882 5.625 179 HG23 THR 22 HG23 THR 22 -1.253 -11.376 6.919 180 H ALA 23 HN ALA 23 0.901 -10.581 2.343 181 HA ALA 23 HA ALA 23 3.487 -11.769 2.459 182 HB1 ALA 23 HB1 ALA 23 2.357 -9.916 0.360 183 HB2 ALA 23 HB2 ALA 23 2.101 -11.660 0.395 184 HB3 ALA 23 HB3 ALA 23 3.727 -11.011 0.161 185 H LEU 24 HN LEU 24 2.490 -8.418 2.303 186 HA LEU 24 HA LEU 24 5.090 -7.352 2.360 187 HB2 LEU 24 HB2 LEU 24 2.526 -6.152 3.379 188 HB3 LEU 24 HB1 LEU 24 4.002 -5.253 3.079 189 HG LEU 24 HG LEU 24 2.316 -6.659 1.019 190 HD11 LEU 24 HD11 LEU 24 1.817 -4.420 0.221 191 HD12 LEU 24 HD12 LEU 24 2.770 -3.740 1.543 192 HD13 LEU 24 HD13 LEU 24 1.295 -4.642 1.889 193 HD21 LEU 24 HD21 LEU 24 4.659 -6.727 0.382 194 HD22 LEU 24 HD22 LEU 24 4.799 -4.991 0.676 195 HD23 LEU 24 HD23 LEU 24 3.776 -5.586 -0.629 196 H THR 25 HN THR 25 2.878 -8.257 4.912 197 HA THR 25 HA THR 25 4.392 -7.260 7.083 198 HB THR 25 HB THR 25 2.481 -9.621 7.100 199 HG1 THR 25 HG1 THR 25 1.568 -7.633 6.213 200 HG21 THR 25 HG21 THR 25 3.280 -7.682 9.284 201 HG22 THR 25 HG22 THR 25 3.832 -9.349 9.147 202 HG23 THR 25 HG23 THR 25 2.125 -9.008 9.444 203 H ALA 26 HN ALA 26 4.287 -10.455 5.506 204 HA ALA 26 HA ALA 26 6.196 -11.718 7.157 205 HB1 ALA 26 HB1 ALA 26 5.477 -12.326 4.288 206 HB2 ALA 26 HB2 ALA 26 4.625 -12.939 5.705 207 HB3 ALA 26 HB3 ALA 26 6.299 -13.416 5.405 208 H ASN 27 HN ASN 27 6.473 -9.504 4.601 209 HA ASN 27 HA ASN 27 9.305 -10.038 4.182 210 HB2 ASN 27 HB2 ASN 27 7.179 -8.605 2.717 211 HB3 ASN 27 HB1 ASN 27 8.849 -8.039 2.452 212 HD21 ASN 27 HD21 ASN 27 6.479 -10.470 1.948 213 HD22 ASN 27 HD22 ASN 27 7.373 -11.478 0.883 214 H ARG 28 HN ARG 28 7.768 -8.598 6.483 215 HA ARG 28 HA ARG 28 8.320 -7.159 8.140 216 HB2 ARG 28 HB2 ARG 28 10.647 -8.106 7.671 217 HB3 ARG 28 HB1 ARG 28 10.941 -6.673 6.706 218 HG2 ARG 28 HG2 ARG 28 10.282 -5.402 8.888 219 HG3 ARG 28 HG1 ARG 28 10.668 -6.936 9.671 220 HD2 ARG 28 HD2 ARG 28 12.630 -5.568 9.669 221 HD3 ARG 28 HD1 ARG 28 12.871 -6.882 8.507 222 HE ARG 28 HE ARG 28 11.728 -4.566 7.344 223 HH11 ARG 28 HH11 ARG 28 14.852 -5.901 8.285 224 HH12 ARG 28 HH12 ARG 28 15.736 -5.005 7.142 225 HH21 ARG 28 HH21 ARG 28 12.888 -3.369 5.822 226 HH22 ARG 28 HH22 ARG 28 14.567 -3.510 5.638 227 H ILE 29 HN ILE 29 7.280 -6.246 5.387 228 HA ILE 29 HA ILE 29 8.216 -3.539 5.222 229 HB ILE 29 HB ILE 29 5.983 -4.963 3.722 230 HG12 ILE 29 HG12 ILE 29 8.769 -4.135 2.825 231 HG13 ILE 29 HG11 ILE 29 8.281 -5.773 3.227 232 HG21 ILE 29 HG21 ILE 29 5.504 -2.578 3.852 233 HG22 ILE 29 HG22 ILE 29 5.981 -3.009 2.207 234 HG23 ILE 29 HG23 ILE 29 7.127 -2.202 3.277 235 HD11 ILE 29 HD11 ILE 29 7.214 -4.113 0.958 236 HD12 ILE 29 HD12 ILE 29 6.746 -5.771 1.341 237 HD13 ILE 29 HD13 ILE 29 8.397 -5.415 0.839 238 H ALA 30 HN ALA 30 7.452 -1.901 6.323 239 HA ALA 30 HA ALA 30 5.132 -2.321 7.995 240 HB1 ALA 30 HB1 ALA 30 7.188 -1.521 9.049 241 HB2 ALA 30 HB2 ALA 30 5.897 -0.320 9.178 242 HB3 ALA 30 HB3 ALA 30 7.183 -0.116 7.986 243 H TYR 31 HN TYR 31 3.279 -1.310 7.680 244 HA TYR 31 HA TYR 31 3.081 0.876 5.770 245 HB2 TYR 31 HB2 TYR 31 1.207 -0.292 4.604 246 HB3 TYR 31 HB1 TYR 31 2.757 -1.086 4.372 247 HD1 TYR 31 HD1 TYR 31 3.195 -3.269 5.339 248 HD2 TYR 31 HD2 TYR 31 -0.567 -1.369 5.934 249 HE1 TYR 31 HE1 TYR 31 2.259 -5.384 6.149 250 HE2 TYR 31 HE2 TYR 31 -1.510 -3.497 6.746 251 HH TYR 31 HH TYR 31 0.512 -6.145 7.498 252 H ASP 32 HN ASP 32 0.970 1.892 5.895 253 HA ASP 32 HA ASP 32 -0.399 1.294 8.420 254 HB2 ASP 32 HB2 ASP 32 0.816 3.485 8.455 255 HB3 ASP 32 HB1 ASP 32 -0.165 4.008 7.087 256 H GLU 33 HN GLU 33 -2.472 0.692 8.155 257 HA GLU 33 HA GLU 33 -3.544 0.905 5.468 258 HB2 GLU 33 HB2 GLU 33 -5.199 -0.732 6.139 259 HB3 GLU 33 HB1 GLU 33 -3.593 -1.310 6.524 260 HG2 GLU 33 HG2 GLU 33 -3.935 -0.855 8.856 261 HG3 GLU 33 HG1 GLU 33 -5.486 -0.082 8.511 262 H VAL 34 HN VAL 34 -5.528 1.774 5.058 263 HA VAL 34 HA VAL 34 -6.100 4.049 6.754 264 HB VAL 34 HB VAL 34 -7.477 3.407 4.133 265 HG11 VAL 34 HG11 VAL 34 -7.739 5.806 3.945 266 HG12 VAL 34 HG12 VAL 34 -6.944 6.022 5.503 267 HG13 VAL 34 HG13 VAL 34 -8.492 5.175 5.410 268 HG21 VAL 34 HG21 VAL 34 -5.769 4.752 3.009 269 HG22 VAL 34 HG22 VAL 34 -5.079 3.307 3.753 270 HG23 VAL 34 HG23 VAL 34 -4.881 4.877 4.527 271 H ASP 35 HN ASP 35 -8.213 4.647 7.327 272 HA ASP 35 HA ASP 35 -9.721 2.559 8.596 273 HB2 ASP 35 HB2 ASP 35 -10.017 5.555 8.737 274 HB3 ASP 35 HB1 ASP 35 -10.931 4.406 9.696 275 H ILE 36 HN ILE 36 -9.975 3.561 5.595 276 HA ILE 36 HA ILE 36 -12.280 4.923 4.991 277 HB ILE 36 HB ILE 36 -12.390 3.805 2.812 278 HG12 ILE 36 HG12 ILE 36 -10.122 2.084 3.779 279 HG13 ILE 36 HG11 ILE 36 -11.792 1.523 3.713 280 HG21 ILE 36 HG21 ILE 36 -10.818 5.610 3.171 281 HG22 ILE 36 HG22 ILE 36 -10.181 4.415 2.045 282 HG23 ILE 36 HG23 ILE 36 -9.595 4.455 3.713 283 HD11 ILE 36 HD11 ILE 36 -10.181 2.505 1.389 284 HD12 ILE 36 HD12 ILE 36 -11.816 1.843 1.319 285 HD13 ILE 36 HD13 ILE 36 -10.466 0.803 1.782 286 H GLU 37 HN GLU 37 -12.255 1.510 5.909 287 HA GLU 37 HA GLU 37 -14.755 0.755 4.880 288 HB2 GLU 37 HB2 GLU 37 -13.023 -0.782 5.795 289 HB3 GLU 37 HB1 GLU 37 -13.395 -0.181 7.388 290 HG2 GLU 37 HG2 GLU 37 -15.648 -1.018 7.247 291 HG3 GLU 37 HG1 GLU 37 -15.366 -1.629 5.628 292 H HIS 38 HN HIS 38 -13.783 2.434 7.732 293 HA HIS 38 HA HIS 38 -16.571 2.867 8.485 294 HB2 HIS 38 HB2 HIS 38 -15.673 3.017 10.897 295 HB3 HIS 38 HB1 HIS 38 -15.800 1.418 10.187 296 HD1 HIS 38 HD1 HIS 38 -13.341 3.732 11.756 297 HD2 HIS 38 HD2 HIS 38 -13.299 0.242 9.488 298 HE1 HIS 38 HE1 HIS 38 -11.035 2.777 11.977 299 H ASN 39 HN ASN 39 -14.652 4.326 6.815 300 HA ASN 39 HA ASN 39 -15.106 6.951 8.001 301 HB2 ASN 39 HB2 ASN 39 -12.809 6.416 8.699 302 HB3 ASN 39 HB1 ASN 39 -12.378 6.098 7.023 303 HD21 ASN 39 HD21 ASN 39 -11.069 7.683 6.478 304 HD22 ASN 39 HD22 ASN 39 -11.261 9.346 6.796 305 H ARG 40 HN ARG 40 -16.469 7.524 6.402 306 HA ARG 40 HA ARG 40 -16.064 6.943 3.687 307 HB2 ARG 40 HB2 ARG 40 -17.833 8.606 3.242 308 HB3 ARG 40 HB1 ARG 40 -18.277 7.418 4.453 309 HG2 ARG 40 HG2 ARG 40 -17.898 9.007 6.214 310 HG3 ARG 40 HG1 ARG 40 -17.296 10.194 5.054 311 HD2 ARG 40 HD2 ARG 40 -20.073 9.037 5.131 312 HD3 ARG 40 HD1 ARG 40 -19.592 10.643 5.705 313 HE ARG 40 HE ARG 40 -18.809 10.948 3.312 314 HH11 ARG 40 HH11 ARG 40 -21.663 9.055 4.184 315 HH12 ARG 40 HH12 ARG 40 -22.456 9.302 2.703 316 HH21 ARG 40 HH21 ARG 40 -19.943 11.322 1.252 317 HH22 ARG 40 HH22 ARG 40 -21.445 10.603 1.011 318 H ALA 41 HN ALA 41 -14.680 9.420 5.666 319 HA ALA 41 HA ALA 41 -14.385 11.281 3.587 320 HB1 ALA 41 HB1 ALA 41 -12.778 11.229 6.150 321 HB2 ALA 41 HB2 ALA 41 -14.352 11.979 5.930 322 HB3 ALA 41 HB3 ALA 41 -12.963 12.582 5.033 323 H ALA 42 HN ALA 42 -12.199 8.852 4.769 324 HA ALA 42 HA ALA 42 -10.286 9.564 2.714 325 HB1 ALA 42 HB1 ALA 42 -9.456 8.731 4.865 326 HB2 ALA 42 HB2 ALA 42 -8.961 7.677 3.532 327 HB3 ALA 42 HB3 ALA 42 -10.288 7.201 4.591 328 H ALA 43 HN ALA 43 -12.994 7.513 3.068 329 HA ALA 43 HA ALA 43 -12.402 5.581 1.114 330 HB1 ALA 43 HB1 ALA 43 -14.790 5.102 1.110 331 HB2 ALA 43 HB2 ALA 43 -15.103 6.650 1.896 332 HB3 ALA 43 HB3 ALA 43 -14.229 5.392 2.765 333 H GLU 44 HN GLU 44 -13.895 8.738 0.970 334 HA GLU 44 HA GLU 44 -14.590 8.962 -1.724 335 HB2 GLU 44 HB2 GLU 44 -15.086 10.629 0.047 336 HB3 GLU 44 HB1 GLU 44 -13.388 11.045 0.118 337 HG2 GLU 44 HG2 GLU 44 -14.512 12.742 -1.117 338 HG3 GLU 44 HG1 GLU 44 -13.544 11.802 -2.249 339 H PHE 45 HN PHE 45 -11.524 9.335 -0.073 340 HA PHE 45 HA PHE 45 -10.085 10.459 -2.228 341 HB2 PHE 45 HB2 PHE 45 -9.519 10.752 0.177 342 HB3 PHE 45 HB1 PHE 45 -9.033 9.067 0.238 343 HD1 PHE 45 HD1 PHE 45 -8.246 12.344 -1.265 344 HD2 PHE 45 HD2 PHE 45 -6.895 8.412 -0.445 345 HE1 PHE 45 HE1 PHE 45 -5.962 12.992 -1.922 346 HE2 PHE 45 HE2 PHE 45 -4.636 9.049 -1.089 347 HZ PHE 45 HZ PHE 45 -4.152 11.338 -1.829 348 H VAL 46 HN VAL 46 -10.731 7.189 -1.202 349 HA VAL 46 HA VAL 46 -8.758 5.830 -2.715 350 HB VAL 46 HB VAL 46 -11.560 4.849 -2.063 351 HG11 VAL 46 HG11 VAL 46 -9.056 3.295 -2.733 352 HG12 VAL 46 HG12 VAL 46 -10.455 3.501 -3.783 353 HG13 VAL 46 HG13 VAL 46 -10.610 2.595 -2.279 354 HG21 VAL 46 HG21 VAL 46 -10.598 3.813 -0.116 355 HG22 VAL 46 HG22 VAL 46 -10.290 5.563 -0.078 356 HG23 VAL 46 HG23 VAL 46 -9.008 4.444 -0.532 357 H GLY 47 HN GLY 47 -12.042 6.850 -3.442 358 HA2 GLY 47 HA2 GLY 47 -12.049 5.861 -6.118 359 HA3 GLY 47 HA1 GLY 47 -13.195 7.008 -5.431 360 H SER 48 HN SER 48 -10.741 8.627 -4.617 361 HA SER 48 HA SER 48 -10.698 10.196 -7.013 362 HB2 SER 48 HB2 SER 48 -10.905 11.214 -4.720 363 HB3 SER 48 HB1 SER 48 -9.249 10.712 -4.403 364 HG SER 48 HG SER 48 -8.677 12.483 -5.328 365 H VAL 49 HN VAL 49 -8.533 8.002 -5.314 366 HA VAL 49 HA VAL 49 -6.356 8.735 -7.045 367 HB VAL 49 HB VAL 49 -5.000 6.950 -5.989 368 HG11 VAL 49 HG11 VAL 49 -4.886 7.922 -3.738 369 HG12 VAL 49 HG12 VAL 49 -6.418 8.745 -4.038 370 HG13 VAL 49 HG13 VAL 49 -4.999 9.144 -5.004 371 HG21 VAL 49 HG21 VAL 49 -5.862 5.719 -4.035 372 HG22 VAL 49 HG22 VAL 49 -6.744 5.310 -5.510 373 HG23 VAL 49 HG23 VAL 49 -7.463 6.401 -4.328 374 H ASN 50 HN ASN 50 -8.661 6.094 -6.868 375 HA ASN 50 HA ASN 50 -7.836 5.627 -9.580 376 HB2 ASN 50 HB2 ASN 50 -8.570 3.218 -9.474 377 HB3 ASN 50 HB1 ASN 50 -7.198 3.575 -8.450 378 HD21 ASN 50 HD21 ASN 50 -7.462 3.417 -6.217 379 HD22 ASN 50 HD22 ASN 50 -8.813 2.633 -5.496 380 H GLY 51 HN GLY 51 -9.031 6.920 -10.505 381 HA2 GLY 51 HA2 GLY 51 -11.452 7.950 -9.759 382 HA3 GLY 51 HA1 GLY 51 -10.824 7.986 -11.390 383 H GLY 52 HN GLY 52 -13.341 7.126 -9.524 384 HA2 GLY 52 HA2 GLY 52 -15.375 6.474 -10.533 385 HA3 GLY 52 HA1 GLY 52 -14.461 5.592 -11.742 386 H ASN 53 HN ASN 53 -12.834 4.465 -9.324 387 HA ASN 53 HA ASN 53 -14.890 2.492 -8.577 388 HB2 ASN 53 HB2 ASN 53 -13.287 1.697 -10.418 389 HB3 ASN 53 HB1 ASN 53 -12.013 1.775 -9.208 390 HD21 ASN 53 HD21 ASN 53 -11.591 -0.431 -9.162 391 HD22 ASN 53 HD22 ASN 53 -12.701 -1.607 -8.617 392 H ARG 54 HN ARG 54 -14.112 1.204 -6.651 393 HA ARG 54 HA ARG 54 -12.166 2.708 -5.067 394 HB2 ARG 54 HB2 ARG 54 -14.556 1.165 -4.021 395 HB3 ARG 54 HB1 ARG 54 -13.278 1.815 -3.015 396 HG2 ARG 54 HG2 ARG 54 -13.912 4.076 -3.633 397 HG3 ARG 54 HG1 ARG 54 -15.166 3.452 -4.709 398 HD2 ARG 54 HD2 ARG 54 -15.006 3.097 -1.716 399 HD3 ARG 54 HD1 ARG 54 -16.156 4.110 -2.588 400 HE ARG 54 HE ARG 54 -16.412 1.555 -3.613 401 HH11 ARG 54 HH11 ARG 54 -17.018 3.099 -0.479 402 HH12 ARG 54 HH12 ARG 54 -18.203 1.979 0.001 403 HH21 ARG 54 HH21 ARG 54 -18.027 0.039 -2.967 404 HH22 ARG 54 HH22 ARG 54 -18.823 0.210 -1.474 405 H THR 55 HN THR 55 -10.787 1.298 -6.386 406 HA THR 55 HA THR 55 -10.780 -1.504 -5.885 407 HB THR 55 HB THR 55 -8.335 0.074 -6.735 408 HG1 THR 55 HG1 THR 55 -9.804 0.861 -8.175 409 HG21 THR 55 HG21 THR 55 -8.144 -2.356 -6.375 410 HG22 THR 55 HG22 THR 55 -7.946 -1.954 -8.079 411 HG23 THR 55 HG23 THR 55 -9.469 -2.631 -7.506 412 H VAL 56 HN VAL 56 -9.975 -2.498 -4.072 413 HA VAL 56 HA VAL 56 -9.329 -0.741 -1.983 414 HB VAL 56 HB VAL 56 -9.045 -3.705 -1.688 415 HG11 VAL 56 HG11 VAL 56 -9.360 -3.195 0.662 416 HG12 VAL 56 HG12 VAL 56 -9.617 -1.499 0.247 417 HG13 VAL 56 HG13 VAL 56 -8.039 -2.195 0.008 418 HG21 VAL 56 HG21 VAL 56 -11.217 -3.671 -0.844 419 HG22 VAL 56 HG22 VAL 56 -11.201 -3.055 -2.543 420 HG23 VAL 56 HG23 VAL 56 -11.312 -1.924 -1.157 421 HA PRO 57 HA PRO 57 -5.613 -2.560 -1.309 422 HB2 PRO 57 HB2 PRO 57 -3.903 -4.240 -2.588 423 HB3 PRO 57 HB1 PRO 57 -5.273 -4.746 -1.598 424 HG2 PRO 57 HG2 PRO 57 -5.232 -4.359 -4.583 425 HG3 PRO 57 HG1 PRO 57 -5.892 -5.720 -3.654 426 HD2 PRO 57 HD2 PRO 57 -7.472 -3.712 -4.551 427 HD3 PRO 57 HD1 PRO 57 -7.680 -4.660 -3.027 428 H THR 58 HN THR 58 -5.390 -0.432 -2.203 429 HA THR 58 HA THR 58 -3.546 0.123 -4.351 430 HB THR 58 HB THR 58 -5.758 1.693 -2.999 431 HG1 THR 58 HG1 THR 58 -6.831 0.575 -4.403 432 HG21 THR 58 HG21 THR 58 -3.954 3.242 -3.714 433 HG22 THR 58 HG22 THR 58 -5.388 3.385 -4.758 434 HG23 THR 58 HG23 THR 58 -3.984 2.490 -5.316 435 H VAL 59 HN VAL 59 -1.691 1.026 -3.779 436 HA VAL 59 HA VAL 59 -1.349 1.726 -0.966 437 HB VAL 59 HB VAL 59 -0.081 -0.310 -1.552 438 HG11 VAL 59 HG11 VAL 59 1.207 1.369 -3.633 439 HG12 VAL 59 HG12 VAL 59 0.160 -0.024 -3.885 440 HG13 VAL 59 HG13 VAL 59 1.754 -0.238 -3.137 441 HG21 VAL 59 HG21 VAL 59 2.146 0.400 -0.855 442 HG22 VAL 59 HG22 VAL 59 0.884 1.200 0.089 443 HG23 VAL 59 HG23 VAL 59 1.714 2.075 -1.198 444 H LYS 60 HN LYS 60 -0.599 3.635 -0.523 445 HA LYS 60 HA LYS 60 0.327 5.348 -2.718 446 HB2 LYS 60 HB2 LYS 60 -1.727 6.174 -1.643 447 HB3 LYS 60 HB1 LYS 60 -0.943 6.075 -0.073 448 HG2 LYS 60 HG2 LYS 60 0.676 7.785 -0.778 449 HG3 LYS 60 HG1 LYS 60 -0.138 7.899 -2.334 450 HD2 LYS 60 HD2 LYS 60 -0.835 9.711 -0.861 451 HD3 LYS 60 HD1 LYS 60 -2.176 8.619 -1.218 452 HE2 LYS 60 HE2 LYS 60 -1.952 7.568 0.948 453 HE3 LYS 60 HE1 LYS 60 -0.504 8.519 1.301 454 HZ1 LYS 60 HZ1 LYS 60 -3.270 9.565 0.969 455 HZ2 LYS 60 HZ2 LYS 60 -1.892 10.504 1.252 456 HZ3 LYS 60 HZ3 LYS 60 -2.418 9.405 2.410 457 H PHE 61 HN PHE 61 2.427 5.661 -2.642 458 HA PHE 61 HA PHE 61 3.866 5.113 -0.177 459 HB2 PHE 61 HB2 PHE 61 4.821 5.733 -2.985 460 HB3 PHE 61 HB1 PHE 61 5.905 5.539 -1.616 461 HD1 PHE 61 HD2 PHE 61 3.525 3.806 -3.838 462 HD2 PHE 61 HD1 PHE 61 6.449 3.367 -0.753 463 HE1 PHE 61 HE2 PHE 61 3.576 1.362 -4.215 464 HE2 PHE 61 HE1 PHE 61 6.489 0.974 -1.124 465 HZ PHE 61 HZ PHE 61 5.040 -0.045 -2.880 466 H ALA 62 HN ALA 62 5.389 6.644 0.641 467 HA ALA 62 HA ALA 62 4.422 9.216 1.078 468 HB1 ALA 62 HB1 ALA 62 6.582 9.693 2.077 469 HB2 ALA 62 HB2 ALA 62 7.289 8.291 1.273 470 HB3 ALA 62 HB3 ALA 62 6.057 8.069 2.516 471 H ASP 63 HN ASP 63 6.173 7.985 -1.525 472 HA ASP 63 HA ASP 63 7.365 10.303 -2.635 473 HB2 ASP 63 HB2 ASP 63 8.115 8.107 -3.266 474 HB3 ASP 63 HB1 ASP 63 6.506 7.654 -3.804 475 H GLY 64 HN GLY 64 4.073 9.226 -2.502 476 HA2 GLY 64 HA2 GLY 64 2.269 10.673 -3.057 477 HA3 GLY 64 HA1 GLY 64 3.284 11.428 -4.277 478 H SER 65 HN SER 65 4.012 8.405 -4.728 479 HA SER 65 HA SER 65 2.299 8.141 -6.965 480 HB2 SER 65 HB2 SER 65 3.786 6.008 -7.135 481 HB3 SER 65 HB1 SER 65 4.486 7.607 -7.420 482 HG SER 65 HG SER 65 5.717 7.340 -5.814 483 H THR 66 HN THR 66 0.658 6.739 -7.202 484 HA THR 66 HA THR 66 0.040 5.020 -4.919 485 HB THR 66 HB THR 66 -2.326 5.139 -5.791 486 HG1 THR 66 HG1 THR 66 -1.262 6.203 -7.879 487 HG21 THR 66 HG21 THR 66 -1.627 6.518 -3.888 488 HG22 THR 66 HG22 THR 66 -2.795 7.381 -4.889 489 HG23 THR 66 HG23 THR 66 -1.081 7.779 -4.995 490 H LEU 67 HN LEU 67 -0.270 2.941 -5.336 491 HA LEU 67 HA LEU 67 -0.210 2.023 -8.119 492 HB2 LEU 67 HB2 LEU 67 1.395 0.997 -5.774 493 HB3 LEU 67 HB1 LEU 67 0.992 -0.050 -7.109 494 HG LEU 67 HG LEU 67 2.204 1.526 -8.607 495 HD11 LEU 67 HD11 LEU 67 3.164 2.888 -6.106 496 HD12 LEU 67 HD12 LEU 67 2.196 3.555 -7.404 497 HD13 LEU 67 HD13 LEU 67 3.849 3.058 -7.721 498 HD21 LEU 67 HD21 LEU 67 3.214 -0.509 -7.947 499 HD22 LEU 67 HD22 LEU 67 3.754 0.176 -6.427 500 HD23 LEU 67 HD23 LEU 67 4.433 0.762 -7.962 501 H THR 68 HN THR 68 -1.802 0.693 -8.602 502 HA THR 68 HA THR 68 -3.427 -0.315 -6.407 503 HB THR 68 HB THR 68 -4.105 0.298 -9.293 504 HG1 THR 68 HG1 THR 68 -5.091 1.359 -6.864 505 HG21 THR 68 HG21 THR 68 -5.893 -0.792 -7.114 506 HG22 THR 68 HG22 THR 68 -5.345 -1.686 -8.529 507 HG23 THR 68 HG23 THR 68 -6.413 -0.295 -8.724 508 H ASN 69 HN ASN 69 -3.431 -2.397 -6.010 509 HA ASN 69 HA ASN 69 -2.926 -4.567 -6.031 510 HB2 ASN 69 HB2 ASN 69 -3.736 -4.351 -8.939 511 HB3 ASN 69 HB1 ASN 69 -3.401 -5.870 -8.130 512 HD21 ASN 69 HD21 ASN 69 -5.411 -6.673 -8.409 513 HD22 ASN 69 HD22 ASN 69 -6.813 -6.080 -7.612 514 HA PRO 70 HA PRO 70 1.269 -4.163 -8.094 515 HB2 PRO 70 HB2 PRO 70 2.818 -3.352 -6.116 516 HB3 PRO 70 HB1 PRO 70 1.794 -2.172 -6.951 517 HG2 PRO 70 HG2 PRO 70 1.280 -3.618 -4.374 518 HG3 PRO 70 HG1 PRO 70 1.163 -1.868 -4.690 519 HD2 PRO 70 HD2 PRO 70 -1.015 -3.501 -4.731 520 HD3 PRO 70 HD1 PRO 70 -0.854 -2.090 -5.789 521 H SER 71 HN SER 71 3.117 -5.552 -7.638 522 HA SER 71 HA SER 71 2.417 -7.851 -6.056 523 HB2 SER 71 HB2 SER 71 4.997 -7.356 -7.555 524 HB3 SER 71 HB1 SER 71 4.255 -8.901 -7.148 525 HG SER 71 HG SER 71 3.409 -6.968 -9.002 526 H ALA 72 HN ALA 72 3.936 -8.634 -4.388 527 HA ALA 72 HA ALA 72 4.585 -6.635 -2.516 528 HB1 ALA 72 HB1 ALA 72 5.522 -8.435 -1.170 529 HB2 ALA 72 HB2 ALA 72 5.514 -9.498 -2.573 530 HB3 ALA 72 HB3 ALA 72 3.988 -8.935 -1.890 531 H ASP 73 HN ASP 73 6.516 -8.413 -4.795 532 HA ASP 73 HA ASP 73 9.064 -7.527 -3.952 533 HB2 ASP 73 HB2 ASP 73 8.105 -8.539 -6.626 534 HB3 ASP 73 HB1 ASP 73 9.769 -8.046 -6.359 535 H GLU 74 HN GLU 74 6.683 -6.148 -6.078 536 HA GLU 74 HA GLU 74 8.292 -4.063 -7.138 537 HB2 GLU 74 HB2 GLU 74 5.299 -4.202 -6.757 538 HB3 GLU 74 HB1 GLU 74 6.131 -2.941 -7.648 539 HG2 GLU 74 HG2 GLU 74 6.913 -4.580 -9.254 540 HG3 GLU 74 HG1 GLU 74 6.104 -5.866 -8.357 541 H VAL 75 HN VAL 75 6.081 -4.325 -4.428 542 HA VAL 75 HA VAL 75 6.267 -1.682 -3.502 543 HB VAL 75 HB VAL 75 5.740 -4.215 -1.910 544 HG11 VAL 75 HG11 VAL 75 4.668 -2.759 -0.258 545 HG12 VAL 75 HG12 VAL 75 5.164 -1.343 -1.184 546 HG13 VAL 75 HG13 VAL 75 6.381 -2.379 -0.440 547 HG21 VAL 75 HG21 VAL 75 3.370 -3.623 -2.156 548 HG22 VAL 75 HG22 VAL 75 4.141 -3.896 -3.717 549 HG23 VAL 75 HG23 VAL 75 3.825 -2.252 -3.167 550 H LYS 76 HN LYS 76 8.075 -4.575 -2.669 551 HA LYS 76 HA LYS 76 9.800 -3.534 -0.750 552 HB2 LYS 76 HB2 LYS 76 9.559 -5.888 -1.117 553 HB3 LYS 76 HB1 LYS 76 10.166 -5.761 -2.760 554 HG2 LYS 76 HG2 LYS 76 11.839 -6.747 -1.353 555 HG3 LYS 76 HG1 LYS 76 12.376 -5.137 -1.824 556 HD2 LYS 76 HD2 LYS 76 11.754 -4.256 0.340 557 HD3 LYS 76 HD1 LYS 76 11.061 -5.812 0.809 558 HE2 LYS 76 HE2 LYS 76 13.276 -6.848 0.563 559 HE3 LYS 76 HE1 LYS 76 13.949 -5.279 0.149 560 HZ1 LYS 76 HZ1 LYS 76 12.590 -5.826 2.726 561 HZ2 LYS 76 HZ2 LYS 76 13.558 -4.475 2.320 562 HZ3 LYS 76 HZ3 LYS 76 14.238 -5.990 2.483 563 H ALA 77 HN ALA 77 10.278 -3.781 -4.289 564 HA ALA 77 HA ALA 77 12.846 -2.559 -4.253 565 HB1 ALA 77 HB1 ALA 77 10.936 -2.897 -6.560 566 HB2 ALA 77 HB2 ALA 77 12.110 -4.094 -6.024 567 HB3 ALA 77 HB3 ALA 77 12.661 -2.550 -6.682 568 H LYS 78 HN LYS 78 9.645 -1.259 -4.344 569 HA LYS 78 HA LYS 78 10.541 1.382 -5.118 570 HB2 LYS 78 HB2 LYS 78 7.956 0.448 -3.857 571 HB3 LYS 78 HB1 LYS 78 8.283 2.110 -4.297 572 HG2 LYS 78 HG2 LYS 78 8.184 -0.197 -6.226 573 HG3 LYS 78 HG1 LYS 78 6.861 0.917 -5.882 574 HD2 LYS 78 HD2 LYS 78 8.331 2.785 -6.628 575 HD3 LYS 78 HD1 LYS 78 9.534 1.585 -7.106 576 HE2 LYS 78 HE2 LYS 78 6.717 1.772 -8.182 577 HE3 LYS 78 HE1 LYS 78 8.164 2.320 -9.017 578 HZ1 LYS 78 HZ1 LYS 78 8.957 0.070 -9.109 579 HZ2 LYS 78 HZ2 LYS 78 7.412 0.108 -9.748 580 HZ3 LYS 78 HZ3 LYS 78 7.664 -0.501 -8.209 581 H LEU 79 HN LEU 79 9.693 -0.311 -2.160 582 HA LEU 79 HA LEU 79 9.725 1.757 -0.390 583 HB2 LEU 79 HB2 LEU 79 9.065 -0.662 0.138 584 HB3 LEU 79 HB1 LEU 79 10.754 -1.021 0.141 585 HG LEU 79 HG LEU 79 11.086 0.460 2.061 586 HD11 LEU 79 HD11 LEU 79 9.329 2.034 2.002 587 HD12 LEU 79 HD12 LEU 79 9.055 1.029 3.419 588 HD13 LEU 79 HD13 LEU 79 8.111 0.759 1.962 589 HD21 LEU 79 HD21 LEU 79 10.826 -1.918 2.404 590 HD22 LEU 79 HD22 LEU 79 9.071 -1.732 2.433 591 HD23 LEU 79 HD23 LEU 79 10.051 -1.021 3.713 592 H VAL 80 HN VAL 80 12.379 -0.324 -1.384 593 HA VAL 80 HA VAL 80 14.336 0.790 0.241 594 HB VAL 80 HB VAL 80 16.016 -0.288 -1.249 595 HG11 VAL 80 HG11 VAL 80 14.946 -1.620 0.448 596 HG12 VAL 80 HG12 VAL 80 15.262 -2.581 -0.995 597 HG13 VAL 80 HG13 VAL 80 13.632 -2.004 -0.660 598 HG21 VAL 80 HG21 VAL 80 13.645 -0.870 -2.989 599 HG22 VAL 80 HG22 VAL 80 15.240 -1.613 -3.176 600 HG23 VAL 80 HG23 VAL 80 15.038 0.124 -3.413 601 H LYS 81 HN LYS 81 13.296 1.769 -2.965 602 HA LYS 81 HA LYS 81 15.456 3.654 -3.153 603 HB2 LYS 81 HB2 LYS 81 14.642 4.198 -5.362 604 HB3 LYS 81 HB1 LYS 81 14.632 2.454 -5.149 605 HG2 LYS 81 HG2 LYS 81 12.236 2.534 -4.725 606 HG3 LYS 81 HG1 LYS 81 12.255 4.268 -5.035 607 HD2 LYS 81 HD2 LYS 81 13.080 2.131 -7.001 608 HD3 LYS 81 HD1 LYS 81 11.538 2.980 -7.019 609 HE2 LYS 81 HE2 LYS 81 14.261 4.259 -7.381 610 HE3 LYS 81 HE1 LYS 81 13.130 3.880 -8.664 611 HZ1 LYS 81 HZ1 LYS 81 12.672 5.838 -6.470 612 HZ2 LYS 81 HZ2 LYS 81 11.543 5.416 -7.653 613 HZ3 LYS 81 HZ3 LYS 81 12.972 6.171 -8.091 614 H ILE 82 HN ILE 82 11.992 3.851 -2.427 615 HA ILE 82 HA ILE 82 12.207 6.707 -2.495 616 HB ILE 82 HB ILE 82 9.808 6.862 -1.892 617 HG12 ILE 82 HG12 ILE 82 8.444 4.654 -2.186 618 HG13 ILE 82 HG11 ILE 82 9.941 3.841 -1.767 619 HG21 ILE 82 HG21 ILE 82 10.421 5.072 -4.214 620 HG22 ILE 82 HG22 ILE 82 10.438 6.835 -4.188 621 HG23 ILE 82 HG23 ILE 82 8.917 5.963 -3.988 622 HD11 ILE 82 HD11 ILE 82 9.941 4.986 0.397 623 HD12 ILE 82 HD12 ILE 82 8.479 4.034 0.152 624 HD13 ILE 82 HD13 ILE 82 8.429 5.787 -0.035 625 H ALA 83 HN ALA 83 12.084 4.316 0.037 626 HA ALA 83 HA ALA 83 11.977 6.401 2.032 627 HB1 ALA 83 HB1 ALA 83 12.176 4.577 3.672 628 HB2 ALA 83 HB2 ALA 83 12.415 3.431 2.344 629 HB3 ALA 83 HB3 ALA 83 10.880 4.277 2.512 630 H GLY 84 HN GLY 84 14.369 4.382 0.467 631 HA2 GLY 84 HA2 GLY 84 16.582 4.883 0.160 632 HA3 GLY 84 HA1 GLY 84 16.391 6.253 1.247 633 H LEU 85 HN LEU 85 15.626 5.119 3.534 634 HA LEU 85 HA LEU 85 18.126 3.959 4.414 635 HB2 LEU 85 HB2 LEU 85 17.032 5.842 5.597 636 HB3 LEU 85 HB1 LEU 85 15.704 4.790 6.021 637 HG LEU 85 HG LEU 85 17.242 3.412 7.381 638 HD11 LEU 85 HD11 LEU 85 19.297 5.504 6.687 639 HD12 LEU 85 HD12 LEU 85 19.319 3.806 6.204 640 HD13 LEU 85 HD13 LEU 85 19.481 4.240 7.902 641 HD21 LEU 85 HD21 LEU 85 17.249 6.353 8.053 642 HD22 LEU 85 HD22 LEU 85 17.588 5.045 9.187 643 HD23 LEU 85 HD23 LEU 85 15.988 5.191 8.466 644 H GLU 86 HN GLU 86 16.223 2.275 2.861 645 HA GLU 86 HA GLU 86 15.905 0.165 4.869 646 HB2 GLU 86 HB2 GLU 86 13.862 0.972 3.423 647 HB3 GLU 86 HB1 GLU 86 14.637 0.062 2.132 648 HG2 GLU 86 HG2 GLU 86 13.633 -1.022 4.762 649 HG3 GLU 86 HG1 GLU 86 12.889 -1.244 3.187 650 H HIS 87 HN HIS 87 17.838 -0.761 4.835 651 HA HIS 87 HA HIS 87 19.777 -1.703 4.184 652 HB2 HIS 87 HB2 HIS 87 18.160 -3.441 3.349 653 HB3 HIS 87 HB1 HIS 87 18.159 -2.638 1.789 654 HD1 HIS 87 HD1 HIS 87 19.971 -3.349 0.153 655 HD2 HIS 87 HD2 HIS 87 20.646 -4.700 4.024 656 HE1 HIS 87 HE1 HIS 87 21.864 -5.003 -0.005 657 H HIS 88 HN HIS 88 20.523 0.471 3.934 658 HA HIS 88 HA HIS 88 20.495 1.621 1.300 659 HB2 HIS 88 HB2 HIS 88 20.109 2.923 3.440 660 HB3 HIS 88 HB1 HIS 88 21.830 2.725 3.755 661 HD1 HIS 88 HD1 HIS 88 19.443 4.409 1.434 662 HD2 HIS 88 HD2 HIS 88 23.500 4.375 2.275 663 HE1 HIS 88 HE1 HIS 88 20.421 6.367 0.195
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