NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
474350 | 2kkj | 16363 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H2 PRO 1 HT1 PRO 1 -4.273 22.991 -1.781 2 H3 PRO 1 HT2 PRO 1 -4.952 23.784 -0.525 3 HA PRO 1 HA PRO 1 -5.062 22.072 0.715 4 HB2 PRO 1 HB2 PRO 1 -5.552 19.801 -0.875 5 HB3 PRO 1 HB1 PRO 1 -6.725 20.671 0.125 6 HG2 PRO 1 HG2 PRO 1 -6.163 20.920 -2.781 7 HG3 PRO 1 HG1 PRO 1 -7.694 21.106 -1.907 8 HD2 PRO 1 HD2 PRO 1 -6.393 23.241 -2.828 9 HD3 PRO 1 HD1 PRO 1 -7.195 23.288 -1.248 10 H ASN 2 HN ASN 2 -3.252 21.140 1.463 11 HA ASN 2 HA ASN 2 -1.180 20.395 -0.467 12 HB2 ASN 2 HB2 ASN 2 0.371 20.430 1.389 13 HB3 ASN 2 HB1 ASN 2 -0.588 21.901 1.431 14 HD21 ASN 2 HD21 ASN 2 0.905 20.727 3.545 15 HD22 ASN 2 HD22 ASN 2 -0.212 20.351 4.819 16 H ARG 3 HN ARG 3 -3.616 19.040 1.375 17 HA ARG 3 HA ARG 3 -2.607 16.355 0.790 18 HB2 ARG 3 HB2 ARG 3 -3.629 17.364 3.427 19 HB3 ARG 3 HB1 ARG 3 -3.806 15.671 2.990 20 HG2 ARG 3 HG2 ARG 3 -1.381 15.488 2.728 21 HG3 ARG 3 HG1 ARG 3 -1.212 17.187 3.174 22 HD2 ARG 3 HD2 ARG 3 -0.804 15.510 5.020 23 HD3 ARG 3 HD1 ARG 3 -1.965 16.789 5.374 24 HE ARG 3 HE ARG 3 -3.743 15.173 5.026 25 HH11 ARG 3 HH11 ARG 3 -0.510 13.820 5.292 26 HH12 ARG 3 HH12 ARG 3 -1.080 12.276 5.861 27 HH21 ARG 3 HH21 ARG 3 -4.477 13.178 5.780 28 HH22 ARG 3 HH22 ARG 3 -3.340 11.912 6.167 29 H SER 4 HN SER 4 -4.056 16.830 -1.055 30 HA SER 4 HA SER 4 -6.905 16.807 -0.420 31 HB2 SER 4 HB2 SER 4 -5.877 18.329 -2.186 32 HB3 SER 4 HB1 SER 4 -5.654 16.883 -3.170 33 HG SER 4 HG SER 4 -7.619 17.337 -3.801 34 H ILE 5 HN ILE 5 -5.952 14.553 0.469 35 HA ILE 5 HA ILE 5 -6.449 12.495 -1.573 36 HB ILE 5 HB ILE 5 -5.539 10.899 0.127 37 HG12 ILE 5 HG12 ILE 5 -4.801 13.443 1.602 38 HG13 ILE 5 HG11 ILE 5 -5.969 12.242 2.144 39 HG21 ILE 5 HG21 ILE 5 -3.703 13.145 -0.704 40 HG22 ILE 5 HG22 ILE 5 -4.132 11.730 -1.668 41 HG23 ILE 5 HG23 ILE 5 -3.188 11.538 -0.189 42 HD11 ILE 5 HD11 ILE 5 -3.861 12.020 3.318 43 HD12 ILE 5 HD12 ILE 5 -3.012 11.799 1.788 44 HD13 ILE 5 HD13 ILE 5 -4.178 10.593 2.335 45 H SER 6 HN SER 6 -7.972 10.826 -1.126 46 HA SER 6 HA SER 6 -10.222 11.806 0.397 47 HB2 SER 6 HB2 SER 6 -10.559 10.733 -1.800 48 HB3 SER 6 HB1 SER 6 -9.903 9.225 -1.161 49 HG SER 6 HG SER 6 -12.352 10.495 -0.611 50 HA PRO 7 HA PRO 7 -8.934 9.523 4.050 51 HB2 PRO 7 HB2 PRO 7 -11.421 10.624 5.169 52 HB3 PRO 7 HB1 PRO 7 -9.753 10.854 5.705 53 HG2 PRO 7 HG2 PRO 7 -11.145 12.834 4.532 54 HG3 PRO 7 HG1 PRO 7 -9.400 12.637 4.282 55 HD2 PRO 7 HD2 PRO 7 -11.670 11.835 2.494 56 HD3 PRO 7 HD1 PRO 7 -10.130 12.615 2.075 57 H SER 8 HN SER 8 -12.122 9.595 2.578 58 HA SER 8 HA SER 8 -13.283 7.399 3.867 59 HB2 SER 8 HB2 SER 8 -14.464 9.053 2.386 60 HB3 SER 8 HB1 SER 8 -13.732 8.257 0.993 61 HG SER 8 HG SER 8 -15.833 7.461 2.604 62 H ALA 9 HN ALA 9 -11.167 7.606 1.049 63 HA ALA 9 HA ALA 9 -11.278 4.849 0.375 64 HB1 ALA 9 HB1 ALA 9 -9.144 6.891 -0.247 65 HB2 ALA 9 HB2 ALA 9 -10.564 6.543 -1.235 66 HB3 ALA 9 HB3 ALA 9 -9.319 5.314 -1.016 67 H LEU 10 HN LEU 10 -9.059 6.808 2.316 68 HA LEU 10 HA LEU 10 -7.182 4.804 2.875 69 HB2 LEU 10 HB2 LEU 10 -7.974 7.189 4.544 70 HB3 LEU 10 HB1 LEU 10 -6.535 6.220 4.793 71 HG LEU 10 HG LEU 10 -7.102 7.831 2.304 72 HD11 LEU 10 HD11 LEU 10 -5.260 8.416 4.621 73 HD12 LEU 10 HD12 LEU 10 -6.760 9.267 4.251 74 HD13 LEU 10 HD13 LEU 10 -5.393 9.362 3.138 75 HD21 LEU 10 HD21 LEU 10 -5.677 5.879 1.921 76 HD22 LEU 10 HD22 LEU 10 -4.614 6.396 3.230 77 HD23 LEU 10 HD23 LEU 10 -4.761 7.379 1.774 78 H GLN 11 HN GLN 11 -10.009 5.889 4.739 79 HA GLN 11 HA GLN 11 -9.692 4.105 6.883 80 HB2 GLN 11 HB2 GLN 11 -12.140 5.496 5.795 81 HB3 GLN 11 HB1 GLN 11 -12.151 4.539 7.271 82 HG2 GLN 11 HG2 GLN 11 -10.615 6.018 8.333 83 HG3 GLN 11 HG1 GLN 11 -10.338 6.896 6.829 84 HE21 GLN 11 HE21 GLN 11 -11.300 7.807 9.462 85 HE22 GLN 11 HE22 GLN 11 -12.823 8.572 9.161 86 H ASP 12 HN ASP 12 -11.369 3.781 3.809 87 HA ASP 12 HA ASP 12 -12.568 1.266 4.389 88 HB2 ASP 12 HB2 ASP 12 -13.293 2.846 2.567 89 HB3 ASP 12 HB1 ASP 12 -11.857 2.376 1.665 90 H LEU 13 HN LEU 13 -9.520 2.293 2.996 91 HA LEU 13 HA LEU 13 -8.549 -0.190 2.139 92 HB2 LEU 13 HB2 LEU 13 -7.525 1.967 1.561 93 HB3 LEU 13 HB1 LEU 13 -7.017 2.176 3.224 94 HG LEU 13 HG LEU 13 -5.559 0.188 3.007 95 HD11 LEU 13 HD11 LEU 13 -5.105 -0.720 0.778 96 HD12 LEU 13 HD12 LEU 13 -6.392 0.285 0.111 97 HD13 LEU 13 HD13 LEU 13 -6.779 -0.993 1.264 98 HD21 LEU 13 HD21 LEU 13 -5.109 2.345 0.949 99 HD22 LEU 13 HD22 LEU 13 -3.876 1.258 1.586 100 HD23 LEU 13 HD23 LEU 13 -4.661 2.423 2.653 101 H LEU 14 HN LEU 14 -8.366 1.410 5.288 102 HA LEU 14 HA LEU 14 -6.702 -0.379 6.640 103 HB2 LEU 14 HB2 LEU 14 -9.105 0.892 7.924 104 HB3 LEU 14 HB1 LEU 14 -7.552 0.529 8.651 105 HG LEU 14 HG LEU 14 -8.047 2.645 6.572 106 HD11 LEU 14 HD11 LEU 14 -7.578 2.911 9.541 107 HD12 LEU 14 HD12 LEU 14 -9.093 3.217 8.693 108 HD13 LEU 14 HD13 LEU 14 -7.693 4.243 8.391 109 HD21 LEU 14 HD21 LEU 14 -5.793 1.754 6.447 110 HD22 LEU 14 HD22 LEU 14 -5.581 1.988 8.182 111 HD23 LEU 14 HD23 LEU 14 -5.767 3.384 7.119 112 H ARG 15 HN ARG 15 -10.198 -0.360 6.251 113 HA ARG 15 HA ARG 15 -10.912 -2.634 7.686 114 HB2 ARG 15 HB2 ARG 15 -11.992 -1.378 5.181 115 HB3 ARG 15 HB1 ARG 15 -12.702 -2.859 5.800 116 HG2 ARG 15 HG2 ARG 15 -13.214 -1.695 7.908 117 HG3 ARG 15 HG1 ARG 15 -12.503 -0.218 7.255 118 HD2 ARG 15 HD2 ARG 15 -14.892 -0.102 7.013 119 HD3 ARG 15 HD1 ARG 15 -14.165 -0.288 5.418 120 HE ARG 15 HE ARG 15 -15.203 -2.652 6.825 121 HH11 ARG 15 HH11 ARG 15 -15.310 -0.456 4.097 122 HH12 ARG 15 HH12 ARG 15 -16.470 -1.404 3.219 123 HH21 ARG 15 HH21 ARG 15 -16.713 -3.919 5.648 124 HH22 ARG 15 HH22 ARG 15 -17.266 -3.369 4.092 125 H THR 16 HN THR 16 -9.921 -2.326 4.351 126 HA THR 16 HA THR 16 -10.385 -5.030 3.670 127 HB THR 16 HB THR 16 -8.624 -3.190 2.085 128 HG1 THR 16 HG1 THR 16 -10.363 -1.870 2.628 129 HG21 THR 16 HG21 THR 16 -9.885 -4.230 0.232 130 HG22 THR 16 HG22 THR 16 -10.750 -5.214 1.419 131 HG23 THR 16 HG23 THR 16 -9.007 -5.413 1.208 132 H LEU 17 HN LEU 17 -7.506 -3.204 4.582 133 HA LEU 17 HA LEU 17 -5.625 -5.206 3.898 134 HB2 LEU 17 HB2 LEU 17 -5.514 -2.834 5.735 135 HB3 LEU 17 HB1 LEU 17 -4.156 -3.924 5.545 136 HG LEU 17 HG LEU 17 -5.398 -2.457 3.228 137 HD11 LEU 17 HD11 LEU 17 -4.553 -0.815 4.802 138 HD12 LEU 17 HD12 LEU 17 -3.464 -0.935 3.419 139 HD13 LEU 17 HD13 LEU 17 -3.036 -1.701 4.948 140 HD21 LEU 17 HD21 LEU 17 -3.279 -3.024 2.149 141 HD22 LEU 17 HD22 LEU 17 -4.121 -4.476 2.692 142 HD23 LEU 17 HD23 LEU 17 -2.752 -3.855 3.613 143 H LYS 18 HN LYS 18 -7.544 -4.633 6.775 144 HA LYS 18 HA LYS 18 -5.867 -6.258 8.440 145 HB2 LYS 18 HB2 LYS 18 -8.565 -5.013 8.920 146 HB3 LYS 18 HB1 LYS 18 -7.714 -5.970 10.124 147 HG2 LYS 18 HG2 LYS 18 -6.845 -3.359 8.912 148 HG3 LYS 18 HG1 LYS 18 -7.290 -3.678 10.589 149 HD2 LYS 18 HD2 LYS 18 -4.906 -4.844 9.152 150 HD3 LYS 18 HD1 LYS 18 -4.857 -3.510 10.303 151 HE2 LYS 18 HE2 LYS 18 -5.892 -6.258 10.980 152 HE3 LYS 18 HE1 LYS 18 -4.219 -5.759 11.225 153 HZ1 LYS 18 HZ1 LYS 18 -4.998 -3.998 12.682 154 HZ2 LYS 18 HZ2 LYS 18 -5.490 -5.519 13.247 155 HZ3 LYS 18 HZ3 LYS 18 -6.606 -4.500 12.471 156 H SER 19 HN SER 19 -8.724 -6.845 6.517 157 HA SER 19 HA SER 19 -8.910 -9.533 7.674 158 HB2 SER 19 HB2 SER 19 -11.042 -9.651 6.321 159 HB3 SER 19 HB1 SER 19 -11.033 -8.433 7.597 160 HG SER 19 HG SER 19 -10.279 -7.793 4.948 161 HA PRO 20 HA PRO 20 -6.947 -10.676 3.753 162 HB2 PRO 20 HB2 PRO 20 -5.009 -12.209 4.788 163 HB3 PRO 20 HB1 PRO 20 -4.932 -10.446 4.883 164 HG2 PRO 20 HG2 PRO 20 -5.463 -12.416 7.014 165 HG3 PRO 20 HG1 PRO 20 -4.857 -10.758 7.143 166 HD2 PRO 20 HD2 PRO 20 -7.564 -11.725 7.494 167 HD3 PRO 20 HD1 PRO 20 -6.940 -10.081 7.733 168 H SER 21 HN SER 21 -8.712 -12.447 6.033 169 HA SER 21 HA SER 21 -8.252 -15.042 4.819 170 HB2 SER 21 HB2 SER 21 -8.745 -14.617 7.320 171 HB3 SER 21 HB1 SER 21 -10.422 -14.398 6.816 172 HG SER 21 HG SER 21 -10.379 -16.510 7.184 173 H SER 22 HN SER 22 -8.908 -13.673 2.803 174 HA SER 22 HA SER 22 -11.369 -14.705 1.849 175 HB2 SER 22 HB2 SER 22 -12.475 -12.510 1.424 176 HB3 SER 22 HB1 SER 22 -12.333 -12.869 3.145 177 HG SER 22 HG SER 22 -10.941 -11.273 3.378 178 HA PRO 23 HA PRO 23 -9.159 -14.069 -1.991 179 HB2 PRO 23 HB2 PRO 23 -11.843 -13.731 -3.202 180 HB3 PRO 23 HB1 PRO 23 -10.577 -14.898 -3.589 181 HG2 PRO 23 HG2 PRO 23 -12.786 -15.651 -2.302 182 HG3 PRO 23 HG1 PRO 23 -11.205 -16.342 -1.889 183 HD2 PRO 23 HD2 PRO 23 -12.779 -14.227 -0.470 184 HD3 PRO 23 HD1 PRO 23 -11.842 -15.577 0.204 185 H GLN 24 HN GLN 24 -11.492 -11.888 -0.711 186 HA GLN 24 HA GLN 24 -11.383 -9.903 -2.738 187 HB2 GLN 24 HB2 GLN 24 -12.395 -9.927 0.089 188 HB3 GLN 24 HB1 GLN 24 -12.340 -8.435 -0.836 189 HG2 GLN 24 HG2 GLN 24 -14.529 -9.312 -1.010 190 HG3 GLN 24 HG1 GLN 24 -13.743 -9.533 -2.570 191 HE21 GLN 24 HE21 GLN 24 -15.084 -11.164 -3.203 192 HE22 GLN 24 HE22 GLN 24 -15.041 -12.756 -2.505 193 H GLN 25 HN GLN 25 -9.328 -10.671 -0.076 194 HA GLN 25 HA GLN 25 -8.444 -8.140 0.667 195 HB2 GLN 25 HB2 GLN 25 -8.002 -10.244 1.913 196 HB3 GLN 25 HB1 GLN 25 -6.823 -10.688 0.688 197 HG2 GLN 25 HG2 GLN 25 -6.519 -8.075 2.069 198 HG3 GLN 25 HG1 GLN 25 -6.102 -9.548 2.940 199 HE21 GLN 25 HE21 GLN 25 -4.468 -7.305 1.947 200 HE22 GLN 25 HE22 GLN 25 -3.237 -8.028 0.974 201 H GLN 26 HN GLN 26 -6.836 -10.383 -1.621 202 HA GLN 26 HA GLN 26 -4.828 -8.553 -2.342 203 HB2 GLN 26 HB2 GLN 26 -5.921 -11.012 -3.673 204 HB3 GLN 26 HB1 GLN 26 -4.677 -10.041 -4.447 205 HG2 GLN 26 HG2 GLN 26 -4.428 -11.262 -1.707 206 HG3 GLN 26 HG1 GLN 26 -3.792 -11.977 -3.188 207 HE21 GLN 26 HE21 GLN 26 -2.022 -11.058 -4.182 208 HE22 GLN 26 HE22 GLN 26 -1.012 -9.891 -3.403 209 H GLN 27 HN GLN 27 -7.927 -9.279 -3.907 210 HA GLN 27 HA GLN 27 -7.466 -7.632 -6.158 211 HB2 GLN 27 HB2 GLN 27 -9.057 -9.439 -6.272 212 HB3 GLN 27 HB1 GLN 27 -10.018 -8.735 -4.982 213 HG2 GLN 27 HG2 GLN 27 -11.039 -8.396 -7.167 214 HG3 GLN 27 HG1 GLN 27 -10.613 -6.868 -6.398 215 HE21 GLN 27 HE21 GLN 27 -8.273 -8.983 -7.946 216 HE22 GLN 27 HE22 GLN 27 -7.921 -7.910 -9.259 217 H GLN 28 HN GLN 28 -9.396 -7.100 -3.207 218 HA GLN 28 HA GLN 28 -10.355 -4.578 -4.090 219 HB2 GLN 28 HB2 GLN 28 -10.375 -5.920 -1.397 220 HB3 GLN 28 HB1 GLN 28 -11.040 -4.312 -1.649 221 HG2 GLN 28 HG2 GLN 28 -11.920 -6.778 -3.132 222 HG3 GLN 28 HG1 GLN 28 -12.733 -6.107 -1.716 223 HE21 GLN 28 HE21 GLN 28 -13.859 -4.160 -1.904 224 HE22 GLN 28 HE22 GLN 28 -14.296 -3.500 -3.443 225 H VAL 29 HN VAL 29 -7.765 -5.493 -1.811 226 HA VAL 29 HA VAL 29 -7.241 -2.898 -0.892 227 HB VAL 29 HB VAL 29 -5.362 -5.255 -1.111 228 HG11 VAL 29 HG11 VAL 29 -4.092 -3.163 -1.072 229 HG12 VAL 29 HG12 VAL 29 -3.910 -4.056 0.442 230 HG13 VAL 29 HG13 VAL 29 -4.980 -2.656 0.369 231 HG21 VAL 29 HG21 VAL 29 -5.728 -5.397 1.327 232 HG22 VAL 29 HG22 VAL 29 -7.213 -5.629 0.405 233 HG23 VAL 29 HG23 VAL 29 -6.905 -4.089 1.205 234 H LEU 30 HN LEU 30 -5.831 -4.679 -3.638 235 HA LEU 30 HA LEU 30 -3.939 -2.706 -4.316 236 HB2 LEU 30 HB2 LEU 30 -3.960 -5.082 -5.117 237 HB3 LEU 30 HB1 LEU 30 -5.271 -4.657 -6.196 238 HG LEU 30 HG LEU 30 -2.672 -3.171 -6.364 239 HD11 LEU 30 HD11 LEU 30 -3.265 -5.831 -7.651 240 HD12 LEU 30 HD12 LEU 30 -2.054 -5.524 -6.407 241 HD13 LEU 30 HD13 LEU 30 -1.879 -4.800 -8.005 242 HD21 LEU 30 HD21 LEU 30 -4.598 -2.359 -7.646 243 HD22 LEU 30 HD22 LEU 30 -4.751 -3.938 -8.415 244 HD23 LEU 30 HD23 LEU 30 -3.320 -2.949 -8.709 245 H ASN 31 HN ASN 31 -7.301 -3.188 -5.307 246 HA ASN 31 HA ASN 31 -7.320 -1.116 -7.250 247 HB2 ASN 31 HB2 ASN 31 -9.020 -3.024 -6.991 248 HB3 ASN 31 HB1 ASN 31 -9.759 -2.038 -5.730 249 HD21 ASN 31 HD21 ASN 31 -11.654 -1.689 -6.827 250 HD22 ASN 31 HD22 ASN 31 -11.748 -0.705 -8.253 251 H ILE 32 HN ILE 32 -8.141 -1.226 -3.801 252 HA ILE 32 HA ILE 32 -9.001 1.462 -3.594 253 HB ILE 32 HB ILE 32 -7.702 -0.208 -1.433 254 HG12 ILE 32 HG12 ILE 32 -10.644 0.080 -2.084 255 HG13 ILE 32 HG11 ILE 32 -9.664 -1.320 -2.494 256 HG21 ILE 32 HG21 ILE 32 -9.555 2.166 -1.261 257 HG22 ILE 32 HG22 ILE 32 -7.824 2.178 -0.921 258 HG23 ILE 32 HG23 ILE 32 -8.919 1.247 0.104 259 HD11 ILE 32 HD11 ILE 32 -10.984 -1.717 -0.507 260 HD12 ILE 32 HD12 ILE 32 -10.248 -0.318 0.277 261 HD13 ILE 32 HD13 ILE 32 -9.261 -1.724 -0.127 262 H LEU 33 HN LEU 33 -5.859 -0.104 -3.214 263 HA LEU 33 HA LEU 33 -4.337 2.093 -2.446 264 HB2 LEU 33 HB2 LEU 33 -3.681 -0.372 -4.027 265 HB3 LEU 33 HB1 LEU 33 -2.464 0.853 -3.716 266 HG LEU 33 HG LEU 33 -3.978 -0.688 -1.606 267 HD11 LEU 33 HD11 LEU 33 -1.123 -0.914 -2.547 268 HD12 LEU 33 HD12 LEU 33 -2.407 -2.090 -2.828 269 HD13 LEU 33 HD13 LEU 33 -1.835 -1.785 -1.189 270 HD21 LEU 33 HD21 LEU 33 -1.682 1.253 -1.347 271 HD22 LEU 33 HD22 LEU 33 -2.421 0.334 -0.036 272 HD23 LEU 33 HD23 LEU 33 -3.354 1.568 -0.881 273 H LYS 34 HN LYS 34 -5.516 1.148 -5.607 274 HA LYS 34 HA LYS 34 -4.012 3.046 -7.094 275 HB2 LYS 34 HB2 LYS 34 -5.177 0.996 -8.013 276 HB3 LYS 34 HB1 LYS 34 -6.693 1.869 -7.838 277 HG2 LYS 34 HG2 LYS 34 -5.992 2.046 -10.105 278 HG3 LYS 34 HG1 LYS 34 -5.780 3.627 -9.345 279 HD2 LYS 34 HD2 LYS 34 -3.401 3.174 -9.047 280 HD3 LYS 34 HD1 LYS 34 -3.603 1.581 -9.781 281 HE2 LYS 34 HE2 LYS 34 -4.394 2.713 -11.855 282 HE3 LYS 34 HE1 LYS 34 -3.996 4.260 -11.106 283 HZ1 LYS 34 HZ1 LYS 34 -2.211 3.502 -12.534 284 HZ2 LYS 34 HZ2 LYS 34 -2.089 2.054 -11.664 285 HZ3 LYS 34 HZ3 LYS 34 -1.693 3.526 -10.920 286 H SER 35 HN SER 35 -6.947 3.188 -5.248 287 HA SER 35 HA SER 35 -7.921 5.639 -6.385 288 HB2 SER 35 HB2 SER 35 -9.339 3.847 -5.273 289 HB3 SER 35 HB1 SER 35 -8.694 4.406 -3.731 290 HG SER 35 HG SER 35 -9.718 6.387 -5.372 291 H ASN 36 HN ASN 36 -5.884 4.694 -3.711 292 HA ASN 36 HA ASN 36 -5.257 7.538 -3.306 293 HB2 ASN 36 HB2 ASN 36 -4.492 6.820 -0.963 294 HB3 ASN 36 HB1 ASN 36 -6.220 6.924 -1.251 295 HD21 ASN 36 HD21 ASN 36 -4.037 4.288 -2.190 296 HD22 ASN 36 HD22 ASN 36 -4.805 3.094 -1.200 297 HA PRO 37 HA PRO 37 -2.018 5.097 -5.501 298 HB2 PRO 37 HB2 PRO 37 -0.862 7.308 -6.691 299 HB3 PRO 37 HB1 PRO 37 -2.191 6.366 -7.372 300 HG2 PRO 37 HG2 PRO 37 -2.277 8.927 -5.834 301 HG3 PRO 37 HG1 PRO 37 -3.212 8.444 -7.262 302 HD2 PRO 37 HD2 PRO 37 -4.300 8.392 -4.827 303 HD3 PRO 37 HD1 PRO 37 -4.667 7.126 -6.017 304 H GLN 38 HN GLN 38 -1.533 7.918 -3.468 305 HA GLN 38 HA GLN 38 1.270 7.897 -3.423 306 HB2 GLN 38 HB2 GLN 38 -0.223 9.733 -2.562 307 HB3 GLN 38 HB1 GLN 38 -0.520 8.739 -1.142 308 HG2 GLN 38 HG2 GLN 38 1.192 10.434 -0.738 309 HG3 GLN 38 HG1 GLN 38 1.828 8.800 -0.566 310 HE21 GLN 38 HE21 GLN 38 3.291 8.024 -2.070 311 HE22 GLN 38 HE22 GLN 38 4.097 9.052 -3.207 312 H LEU 39 HN LEU 39 -1.110 6.131 -1.524 313 HA LEU 39 HA LEU 39 0.853 4.943 0.203 314 HB2 LEU 39 HB2 LEU 39 -2.068 4.811 -0.125 315 HB3 LEU 39 HB1 LEU 39 -1.323 3.328 0.444 316 HG LEU 39 HG LEU 39 -2.127 4.801 2.274 317 HD11 LEU 39 HD11 LEU 39 -0.075 4.661 3.617 318 HD12 LEU 39 HD12 LEU 39 0.853 4.356 2.147 319 HD13 LEU 39 HD13 LEU 39 -0.357 3.190 2.685 320 HD21 LEU 39 HD21 LEU 39 -0.834 6.832 2.790 321 HD22 LEU 39 HD22 LEU 39 -1.688 6.963 1.252 322 HD23 LEU 39 HD23 LEU 39 0.046 6.639 1.272 323 H MET 40 HN MET 40 -0.802 4.045 -2.761 324 HA MET 40 HA MET 40 0.054 1.361 -2.876 325 HB2 MET 40 HB2 MET 40 -1.701 2.403 -4.348 326 HB3 MET 40 HB1 MET 40 -0.408 3.211 -5.227 327 HG2 MET 40 HG2 MET 40 0.525 1.054 -5.857 328 HG3 MET 40 HG1 MET 40 -0.744 0.235 -4.951 329 HE1 MET 40 HE1 MET 40 -0.263 -0.632 -7.852 330 HE2 MET 40 HE2 MET 40 -1.885 -0.609 -8.545 331 HE3 MET 40 HE3 MET 40 -1.635 -1.221 -6.909 332 H ALA 41 HN ALA 41 1.453 4.380 -4.018 333 HA ALA 41 HA ALA 41 3.736 3.412 -5.278 334 HB1 ALA 41 HB1 ALA 41 3.436 5.979 -3.712 335 HB2 ALA 41 HB2 ALA 41 3.012 5.749 -5.408 336 HB3 ALA 41 HB3 ALA 41 4.695 5.627 -4.898 337 H ALA 42 HN ALA 42 3.153 4.140 -1.854 338 HA ALA 42 HA ALA 42 5.808 3.693 -0.994 339 HB1 ALA 42 HB1 ALA 42 4.177 4.925 0.353 340 HB2 ALA 42 HB2 ALA 42 4.868 3.576 1.255 341 HB3 ALA 42 HB3 ALA 42 3.243 3.446 0.578 342 H PHE 43 HN PHE 43 2.959 1.581 -1.089 343 HA PHE 43 HA PHE 43 4.197 -0.682 0.024 344 HB2 PHE 43 HB2 PHE 43 1.800 -0.593 -0.106 345 HB3 PHE 43 HB1 PHE 43 1.845 -0.448 -1.859 346 HD1 PHE 43 HD2 PHE 43 3.550 -2.792 0.507 347 HD2 PHE 43 HD1 PHE 43 0.885 -2.314 -2.785 348 HE1 PHE 43 HE2 PHE 43 3.391 -5.233 0.287 349 HE2 PHE 43 HE1 PHE 43 0.722 -4.759 -3.007 350 HZ PHE 43 HZ PHE 43 1.974 -6.221 -1.468 351 H ILE 44 HN ILE 44 3.841 0.324 -3.364 352 HA ILE 44 HA ILE 44 5.019 -1.995 -4.483 353 HB ILE 44 HB ILE 44 4.833 0.798 -5.628 354 HG12 ILE 44 HG12 ILE 44 3.121 -1.664 -6.058 355 HG13 ILE 44 HG11 ILE 44 2.660 -0.248 -5.119 356 HG21 ILE 44 HG21 ILE 44 5.468 -1.809 -7.011 357 HG22 ILE 44 HG22 ILE 44 6.596 -0.484 -6.725 358 HG23 ILE 44 HG23 ILE 44 5.222 -0.253 -7.807 359 HD11 ILE 44 HD11 ILE 44 2.745 1.121 -7.128 360 HD12 ILE 44 HD12 ILE 44 1.631 -0.233 -7.315 361 HD13 ILE 44 HD13 ILE 44 3.223 -0.291 -8.072 362 H LYS 45 HN LYS 45 6.333 1.055 -3.344 363 HA LYS 45 HA LYS 45 8.946 0.785 -4.355 364 HB2 LYS 45 HB2 LYS 45 7.906 2.869 -3.423 365 HB3 LYS 45 HB1 LYS 45 8.095 2.189 -1.816 366 HG2 LYS 45 HG2 LYS 45 10.492 2.201 -2.045 367 HG3 LYS 45 HG1 LYS 45 10.360 2.749 -3.717 368 HD2 LYS 45 HD2 LYS 45 9.419 4.271 -1.285 369 HD3 LYS 45 HD1 LYS 45 10.897 4.597 -2.194 370 HE2 LYS 45 HE2 LYS 45 9.594 5.121 -4.176 371 HE3 LYS 45 HE1 LYS 45 8.104 4.709 -3.329 372 HZ1 LYS 45 HZ1 LYS 45 9.935 6.920 -2.567 373 HZ2 LYS 45 HZ2 LYS 45 8.453 6.550 -1.833 374 HZ3 LYS 45 HZ3 LYS 45 8.487 7.106 -3.431 375 H GLN 46 HN GLN 46 7.363 -0.566 -1.560 376 HA GLN 46 HA GLN 46 9.813 -1.497 -0.338 377 HB2 GLN 46 HB2 GLN 46 6.921 -2.096 0.313 378 HB3 GLN 46 HB1 GLN 46 8.299 -2.614 1.274 379 HG2 GLN 46 HG2 GLN 46 8.880 -0.325 1.755 380 HG3 GLN 46 HG1 GLN 46 7.591 0.253 0.702 381 HE21 GLN 46 HE21 GLN 46 5.735 -1.834 1.590 382 HE22 GLN 46 HE22 GLN 46 5.207 -1.361 3.169 383 H ARG 47 HN ARG 47 7.713 -2.563 -2.749 384 HA ARG 47 HA ARG 47 7.565 -4.413 -4.034 385 HB2 ARG 47 HB2 ARG 47 10.279 -5.018 -2.854 386 HB3 ARG 47 HB1 ARG 47 9.569 -5.868 -4.217 387 HG2 ARG 47 HG2 ARG 47 10.334 -2.959 -4.116 388 HG3 ARG 47 HG1 ARG 47 11.163 -4.241 -4.999 389 HD2 ARG 47 HD2 ARG 47 8.384 -3.180 -5.507 390 HD3 ARG 47 HD1 ARG 47 9.804 -2.956 -6.525 391 HE ARG 47 HE ARG 47 9.159 -5.724 -6.129 392 HH11 ARG 47 HH11 ARG 47 8.448 -2.877 -8.035 393 HH12 ARG 47 HH12 ARG 47 7.778 -3.778 -9.364 394 HH21 ARG 47 HH21 ARG 47 8.314 -6.908 -7.884 395 HH22 ARG 47 HH22 ARG 47 7.735 -6.073 -9.295 396 H THR 48 HN THR 48 6.518 -4.500 -1.291 397 HA THR 48 HA THR 48 5.365 -5.946 0.010 398 HB THR 48 HB THR 48 6.092 -8.149 -1.926 399 HG1 THR 48 HG1 THR 48 4.958 -6.003 -2.650 400 HG21 THR 48 HG21 THR 48 3.719 -7.744 -0.099 401 HG22 THR 48 HG22 THR 48 5.050 -8.873 0.165 402 HG23 THR 48 HG23 THR 48 3.959 -9.101 -1.202 403 H ALA 49 HN ALA 49 7.710 -8.374 -1.131 404 HA ALA 49 HA ALA 49 8.818 -8.447 1.597 405 HB1 ALA 49 HB1 ALA 49 8.022 -10.863 -0.016 406 HB2 ALA 49 HB2 ALA 49 7.139 -10.211 1.367 407 HB3 ALA 49 HB3 ALA 49 8.760 -10.871 1.587 408 H LYS 50 HN LYS 50 9.648 -7.649 -1.304 409 HA LYS 50 HA LYS 50 12.127 -9.189 -1.458 410 HB2 LYS 50 HB2 LYS 50 11.129 -6.971 -3.266 411 HB3 LYS 50 HB1 LYS 50 12.532 -7.990 -3.549 412 HG2 LYS 50 HG2 LYS 50 9.681 -8.946 -3.432 413 HG3 LYS 50 HG1 LYS 50 10.615 -8.665 -4.901 414 HD2 LYS 50 HD2 LYS 50 12.242 -10.372 -4.144 415 HD3 LYS 50 HD1 LYS 50 11.210 -10.695 -2.748 416 HE2 LYS 50 HE2 LYS 50 10.359 -10.972 -5.629 417 HE3 LYS 50 HE1 LYS 50 10.890 -12.306 -4.607 418 HZ1 LYS 50 HZ1 LYS 50 9.028 -11.978 -3.172 419 HZ2 LYS 50 HZ2 LYS 50 8.447 -12.057 -4.763 420 HZ3 LYS 50 HZ3 LYS 50 8.570 -10.561 -3.982 421 H TYR 51 HN TYR 51 14.143 -8.267 -1.068 422 HA TYR 51 HA TYR 51 13.988 -5.855 0.586 423 HB2 TYR 51 HB2 TYR 51 16.183 -7.929 0.412 424 HB3 TYR 51 HB1 TYR 51 16.111 -6.593 1.558 425 HD1 TYR 51 HD2 TYR 51 14.136 -6.536 3.192 426 HD2 TYR 51 HD1 TYR 51 15.156 -9.965 0.891 427 HE1 TYR 51 HE2 TYR 51 12.829 -7.948 4.724 428 HE2 TYR 51 HE1 TYR 51 13.846 -11.381 2.409 429 HH TYR 51 HH TYR 51 11.603 -10.214 4.517 430 H VAL 52 HN VAL 52 13.980 -4.324 -0.998 431 HA VAL 52 HA VAL 52 16.305 -4.176 -2.787 432 HB VAL 52 HB VAL 52 15.009 -2.456 -4.013 433 HG11 VAL 52 HG11 VAL 52 14.927 -4.782 -4.719 434 HG12 VAL 52 HG12 VAL 52 13.370 -3.995 -4.990 435 HG13 VAL 52 HG13 VAL 52 13.583 -5.082 -3.616 436 HG21 VAL 52 HG21 VAL 52 13.634 -1.645 -2.157 437 HG22 VAL 52 HG22 VAL 52 12.780 -3.188 -2.116 438 HG23 VAL 52 HG23 VAL 52 12.639 -2.139 -3.527 439 H ALA 53 HN ALA 53 15.720 -3.301 0.184 440 HA ALA 53 HA ALA 53 16.392 -0.498 0.109 441 HB1 ALA 53 HB1 ALA 53 16.266 -2.410 2.439 442 HB2 ALA 53 HB2 ALA 53 14.963 -1.358 1.887 443 HB3 ALA 53 HB3 ALA 53 16.440 -0.657 2.551 444 H ASN 54 HN ASN 54 18.271 -1.444 -1.344 445 HA ASN 54 HA ASN 54 20.641 -1.736 0.384 446 HB2 ASN 54 HB2 ASN 54 20.093 -3.777 -0.978 447 HB3 ASN 54 HB1 ASN 54 20.307 -2.810 -2.431 448 HD21 ASN 54 HD21 ASN 54 21.733 -5.180 -1.602 449 HD22 ASN 54 HD22 ASN 54 23.402 -4.737 -1.485 450 H GLN 55 HN GLN 55 21.326 0.324 0.470 451 HA GLN 55 HA GLN 55 21.784 1.719 -2.077 452 HB2 GLN 55 HB2 GLN 55 20.315 2.877 -0.408 453 HB3 GLN 55 HB1 GLN 55 21.666 2.897 0.714 454 HG2 GLN 55 HG2 GLN 55 22.918 4.345 -0.716 455 HG3 GLN 55 HG1 GLN 55 21.712 4.205 -1.994 456 HE21 GLN 55 HE21 GLN 55 20.917 4.529 1.397 457 HE22 GLN 55 HE22 GLN 55 20.240 6.114 1.279 458 HA PRO 56 HA PRO 56 26.103 0.911 -1.371 459 HB2 PRO 56 HB2 PRO 56 27.159 2.729 -3.092 460 HB3 PRO 56 HB1 PRO 56 26.406 1.219 -3.619 461 HG2 PRO 56 HG2 PRO 56 25.267 3.983 -3.552 462 HG3 PRO 56 HG1 PRO 56 25.113 2.737 -4.803 463 HD2 PRO 56 HD2 PRO 56 23.161 3.253 -2.994 464 HD3 PRO 56 HD1 PRO 56 23.434 1.640 -3.680 465 H GLY 57 HN GLY 57 24.953 2.502 0.624 466 HA2 GLY 57 HA2 GLY 57 27.273 4.226 1.224 467 HA3 GLY 57 HA1 GLY 57 25.636 4.700 1.664 468 H MET 58 HN MET 58 25.822 1.420 1.928 469 HA MET 58 HA MET 58 25.957 1.569 4.826 470 HB2 MET 58 HB2 MET 58 25.338 -0.765 3.003 471 HB3 MET 58 HB1 MET 58 25.204 -0.775 4.755 472 HG2 MET 58 HG2 MET 58 23.606 0.975 2.904 473 HG3 MET 58 HG1 MET 58 23.040 -0.526 3.632 474 HE1 MET 58 HE1 MET 58 20.903 0.689 4.632 475 HE2 MET 58 HE2 MET 58 21.434 2.178 3.851 476 HE3 MET 58 HE3 MET 58 20.984 2.190 5.556 477 H GLN 59 HN GLN 59 27.536 0.664 6.062 478 HA GLN 59 HA GLN 59 29.772 -0.610 4.629 479 HB2 GLN 59 HB2 GLN 59 30.227 1.668 5.612 480 HB3 GLN 59 HB1 GLN 59 29.953 0.965 7.201 481 HG2 GLN 59 HG2 GLN 59 31.814 -0.585 6.821 482 HG3 GLN 59 HG1 GLN 59 32.096 0.155 5.245 483 HE21 GLN 59 HE21 GLN 59 32.369 0.511 8.669 484 HE22 GLN 59 HE22 GLN 59 33.351 1.942 8.662 Start of MODEL 2 1 H2 PRO 1 HT1 PRO 1 -4.694 16.767 11.277 2 H3 PRO 1 HT2 PRO 1 -4.146 15.598 12.279 3 HA PRO 1 HA PRO 1 -3.235 14.700 10.632 4 HB2 PRO 1 HB2 PRO 1 -5.536 14.016 9.005 5 HB3 PRO 1 HB1 PRO 1 -4.502 12.957 9.977 6 HG2 PRO 1 HG2 PRO 1 -7.071 13.545 10.645 7 HG3 PRO 1 HG1 PRO 1 -5.816 13.161 11.838 8 HD2 PRO 1 HD2 PRO 1 -6.866 15.845 10.988 9 HD3 PRO 1 HD1 PRO 1 -6.518 15.246 12.619 10 H ASN 2 HN ASN 2 -3.814 14.464 7.888 11 HA ASN 2 HA ASN 2 -2.714 16.921 7.039 12 HB2 ASN 2 HB2 ASN 2 -3.887 14.708 5.342 13 HB3 ASN 2 HB1 ASN 2 -2.834 16.000 4.773 14 HD21 ASN 2 HD21 ASN 2 -0.651 16.003 5.389 15 HD22 ASN 2 HD22 ASN 2 0.123 14.561 5.964 16 H ARG 3 HN ARG 3 -5.961 15.623 6.926 17 HA ARG 3 HA ARG 3 -7.988 16.594 6.613 18 HB2 ARG 3 HB2 ARG 3 -6.413 19.174 6.577 19 HB3 ARG 3 HB1 ARG 3 -8.168 19.093 6.521 20 HG2 ARG 3 HG2 ARG 3 -8.226 18.081 8.713 21 HG3 ARG 3 HG1 ARG 3 -6.461 18.025 8.760 22 HD2 ARG 3 HD2 ARG 3 -6.387 20.471 8.629 23 HD3 ARG 3 HD1 ARG 3 -8.149 20.519 8.595 24 HE ARG 3 HE ARG 3 -8.048 19.491 10.860 25 HH11 ARG 3 HH11 ARG 3 -5.329 21.321 9.625 26 HH12 ARG 3 HH12 ARG 3 -4.760 21.786 11.201 27 HH21 ARG 3 HH21 ARG 3 -7.308 20.102 12.931 28 HH22 ARG 3 HH22 ARG 3 -5.870 21.066 13.080 29 H SER 4 HN SER 4 -5.916 16.019 4.387 30 HA SER 4 HA SER 4 -7.420 17.342 2.235 31 HB2 SER 4 HB2 SER 4 -5.159 18.247 2.327 32 HB3 SER 4 HB1 SER 4 -4.478 16.621 2.296 33 HG SER 4 HG SER 4 -6.038 17.814 0.230 34 H ILE 5 HN ILE 5 -5.703 14.434 3.255 35 HA ILE 5 HA ILE 5 -6.260 12.941 0.905 36 HB ILE 5 HB ILE 5 -4.373 12.408 2.381 37 HG12 ILE 5 HG12 ILE 5 -6.310 10.089 2.333 38 HG13 ILE 5 HG11 ILE 5 -5.469 10.675 0.903 39 HG21 ILE 5 HG21 ILE 5 -4.734 11.259 4.518 40 HG22 ILE 5 HG22 ILE 5 -6.469 11.534 4.361 41 HG23 ILE 5 HG23 ILE 5 -5.371 12.903 4.531 42 HD11 ILE 5 HD11 ILE 5 -3.324 10.166 1.955 43 HD12 ILE 5 HD12 ILE 5 -4.357 8.738 1.847 44 HD13 ILE 5 HD13 ILE 5 -4.173 9.580 3.386 45 H SER 6 HN SER 6 -7.868 11.466 0.476 46 HA SER 6 HA SER 6 -10.404 12.025 1.583 47 HB2 SER 6 HB2 SER 6 -9.634 9.661 -0.131 48 HB3 SER 6 HB1 SER 6 -11.229 10.398 0.017 49 HG SER 6 HG SER 6 -9.990 12.397 -0.743 50 HA PRO 7 HA PRO 7 -10.008 9.481 5.199 51 HB2 PRO 7 HB2 PRO 7 -12.893 10.060 5.470 52 HB3 PRO 7 HB1 PRO 7 -11.568 10.421 6.579 53 HG2 PRO 7 HG2 PRO 7 -12.762 12.353 5.174 54 HG3 PRO 7 HG1 PRO 7 -11.013 12.386 5.482 55 HD2 PRO 7 HD2 PRO 7 -12.487 11.573 2.999 56 HD3 PRO 7 HD1 PRO 7 -11.008 12.542 3.166 57 H SER 8 HN SER 8 -12.869 9.120 3.089 58 HA SER 8 HA SER 8 -13.705 6.632 4.045 59 HB2 SER 8 HB2 SER 8 -15.070 8.101 2.583 60 HB3 SER 8 HB1 SER 8 -14.012 7.706 1.232 61 HG SER 8 HG SER 8 -15.925 6.123 2.533 62 H ALA 9 HN ALA 9 -11.408 7.438 1.475 63 HA ALA 9 HA ALA 9 -10.999 4.865 0.459 64 HB1 ALA 9 HB1 ALA 9 -9.005 7.124 0.646 65 HB2 ALA 9 HB2 ALA 9 -10.193 6.904 -0.640 66 HB3 ALA 9 HB3 ALA 9 -8.899 5.725 -0.425 67 H LEU 10 HN LEU 10 -9.361 6.605 3.065 68 HA LEU 10 HA LEU 10 -7.529 4.548 3.689 69 HB2 LEU 10 HB2 LEU 10 -8.584 6.772 5.438 70 HB3 LEU 10 HB1 LEU 10 -7.190 5.774 5.801 71 HG LEU 10 HG LEU 10 -7.415 7.681 3.466 72 HD11 LEU 10 HD11 LEU 10 -7.233 8.821 5.621 73 HD12 LEU 10 HD12 LEU 10 -5.758 8.999 4.670 74 HD13 LEU 10 HD13 LEU 10 -5.810 7.856 6.012 75 HD21 LEU 10 HD21 LEU 10 -5.093 6.008 4.428 76 HD22 LEU 10 HD22 LEU 10 -5.043 7.195 3.123 77 HD23 LEU 10 HD23 LEU 10 -6.021 5.736 2.952 78 H GLN 11 HN GLN 11 -10.662 5.458 5.098 79 HA GLN 11 HA GLN 11 -10.669 3.632 7.211 80 HB2 GLN 11 HB2 GLN 11 -12.984 4.797 5.660 81 HB3 GLN 11 HB1 GLN 11 -13.159 3.897 7.158 82 HG2 GLN 11 HG2 GLN 11 -11.709 6.509 6.798 83 HG3 GLN 11 HG1 GLN 11 -13.271 6.269 7.578 84 HE21 GLN 11 HE21 GLN 11 -9.840 5.931 7.876 85 HE22 GLN 11 HE22 GLN 11 -9.817 5.571 9.569 86 H ASP 12 HN ASP 12 -11.988 3.298 3.920 87 HA ASP 12 HA ASP 12 -13.057 0.703 4.394 88 HB2 ASP 12 HB2 ASP 12 -13.294 2.570 2.374 89 HB3 ASP 12 HB1 ASP 12 -12.383 1.274 1.606 90 H LEU 13 HN LEU 13 -9.989 1.922 3.227 91 HA LEU 13 HA LEU 13 -8.873 -0.454 2.266 92 HB2 LEU 13 HB2 LEU 13 -7.860 1.765 1.958 93 HB3 LEU 13 HB1 LEU 13 -7.506 1.846 3.672 94 HG LEU 13 HG LEU 13 -5.989 -0.106 3.416 95 HD11 LEU 13 HD11 LEU 13 -5.300 -0.774 1.159 96 HD12 LEU 13 HD12 LEU 13 -6.556 0.260 0.477 97 HD13 LEU 13 HD13 LEU 13 -6.999 -1.133 1.461 98 HD21 LEU 13 HD21 LEU 13 -5.131 2.179 3.357 99 HD22 LEU 13 HD22 LEU 13 -5.385 2.233 1.612 100 HD23 LEU 13 HD23 LEU 13 -4.204 1.118 2.299 101 H LEU 14 HN LEU 14 -8.854 0.944 5.526 102 HA LEU 14 HA LEU 14 -7.375 -1.054 6.828 103 HB2 LEU 14 HB2 LEU 14 -9.710 0.357 8.093 104 HB3 LEU 14 HB1 LEU 14 -8.215 -0.162 8.848 105 HG LEU 14 HG LEU 14 -8.390 2.042 6.810 106 HD11 LEU 14 HD11 LEU 14 -8.140 3.583 8.695 107 HD12 LEU 14 HD12 LEU 14 -8.297 2.228 9.815 108 HD13 LEU 14 HD13 LEU 14 -9.649 2.677 8.773 109 HD21 LEU 14 HD21 LEU 14 -6.158 2.634 7.672 110 HD22 LEU 14 HD22 LEU 14 -6.192 1.031 6.938 111 HD23 LEU 14 HD23 LEU 14 -6.187 1.197 8.695 112 H ARG 15 HN ARG 15 -10.819 -0.673 6.249 113 HA ARG 15 HA ARG 15 -11.787 -2.830 7.725 114 HB2 ARG 15 HB2 ARG 15 -12.838 -1.607 5.172 115 HB3 ARG 15 HB1 ARG 15 -13.738 -2.744 6.156 116 HG2 ARG 15 HG2 ARG 15 -12.758 -0.043 7.059 117 HG3 ARG 15 HG1 ARG 15 -14.402 -0.419 6.546 118 HD2 ARG 15 HD2 ARG 15 -14.579 -2.043 8.390 119 HD3 ARG 15 HD1 ARG 15 -12.958 -1.587 8.921 120 HE ARG 15 HE ARG 15 -14.515 0.734 8.737 121 HH11 ARG 15 HH11 ARG 15 -14.336 -2.183 10.681 122 HH12 ARG 15 HH12 ARG 15 -15.023 -1.430 12.086 123 HH21 ARG 15 HH21 ARG 15 -15.409 1.714 10.599 124 HH22 ARG 15 HH22 ARG 15 -15.652 0.759 12.037 125 H THR 16 HN THR 16 -10.930 -2.736 4.270 126 HA THR 16 HA THR 16 -11.527 -5.505 3.904 127 HB THR 16 HB THR 16 -11.850 -4.090 2.022 128 HG1 THR 16 HG1 THR 16 -10.025 -6.144 1.943 129 HG21 THR 16 HG21 THR 16 -8.914 -3.432 2.202 130 HG22 THR 16 HG22 THR 16 -10.262 -2.336 2.517 131 HG23 THR 16 HG23 THR 16 -9.991 -2.955 0.887 132 H LEU 17 HN LEU 17 -8.571 -3.675 4.451 133 HA LEU 17 HA LEU 17 -6.779 -5.694 3.625 134 HB2 LEU 17 HB2 LEU 17 -6.155 -3.334 3.789 135 HB3 LEU 17 HB1 LEU 17 -6.354 -3.393 5.529 136 HG LEU 17 HG LEU 17 -4.492 -5.011 5.667 137 HD11 LEU 17 HD11 LEU 17 -4.720 -5.965 3.416 138 HD12 LEU 17 HD12 LEU 17 -3.076 -5.420 3.750 139 HD13 LEU 17 HD13 LEU 17 -4.137 -4.448 2.730 140 HD21 LEU 17 HD21 LEU 17 -3.871 -2.421 4.258 141 HD22 LEU 17 HD22 LEU 17 -2.703 -3.403 5.143 142 HD23 LEU 17 HD23 LEU 17 -4.052 -2.652 5.996 143 H LYS 18 HN LYS 18 -8.307 -4.996 6.705 144 HA LYS 18 HA LYS 18 -6.578 -6.857 8.090 145 HB2 LYS 18 HB2 LYS 18 -8.946 -5.316 9.159 146 HB3 LYS 18 HB1 LYS 18 -7.759 -6.196 10.114 147 HG2 LYS 18 HG2 LYS 18 -6.023 -4.657 9.047 148 HG3 LYS 18 HG1 LYS 18 -7.393 -3.667 8.550 149 HD2 LYS 18 HD2 LYS 18 -6.633 -2.748 10.585 150 HD3 LYS 18 HD1 LYS 18 -8.089 -3.662 10.988 151 HE2 LYS 18 HE2 LYS 18 -6.743 -5.517 11.774 152 HE3 LYS 18 HE1 LYS 18 -5.267 -4.686 11.285 153 HZ1 LYS 18 HZ1 LYS 18 -7.142 -3.910 13.445 154 HZ2 LYS 18 HZ2 LYS 18 -5.915 -2.895 12.877 155 HZ3 LYS 18 HZ3 LYS 18 -5.520 -4.375 13.600 156 H SER 19 HN SER 19 -9.040 -7.348 6.076 157 HA SER 19 HA SER 19 -10.117 -9.621 7.597 158 HB2 SER 19 HB2 SER 19 -11.711 -8.043 6.422 159 HB3 SER 19 HB1 SER 19 -11.028 -8.593 4.892 160 HG SER 19 HG SER 19 -12.627 -9.997 5.098 161 HA PRO 20 HA PRO 20 -7.210 -11.855 4.915 162 HB2 PRO 20 HB2 PRO 20 -6.425 -13.533 7.004 163 HB3 PRO 20 HB1 PRO 20 -5.619 -12.040 6.523 164 HG2 PRO 20 HG2 PRO 20 -6.981 -12.530 8.954 165 HG3 PRO 20 HG1 PRO 20 -6.353 -10.979 8.377 166 HD2 PRO 20 HD2 PRO 20 -9.124 -12.065 8.259 167 HD3 PRO 20 HD1 PRO 20 -8.574 -10.383 8.420 168 H SER 21 HN SER 21 -6.908 -14.304 4.598 169 HA SER 21 HA SER 21 -7.894 -16.153 3.721 170 HB2 SER 21 HB2 SER 21 -8.050 -16.750 6.134 171 HB3 SER 21 HB1 SER 21 -9.637 -15.988 6.203 172 HG SER 21 HG SER 21 -10.367 -17.513 4.678 173 H SER 22 HN SER 22 -8.741 -13.708 2.771 174 HA SER 22 HA SER 22 -11.402 -14.274 1.793 175 HB2 SER 22 HB2 SER 22 -10.782 -11.779 3.402 176 HB3 SER 22 HB1 SER 22 -12.251 -12.021 2.457 177 HG SER 22 HG SER 22 -11.735 -14.089 4.169 178 HA PRO 23 HA PRO 23 -9.576 -12.742 -1.895 179 HB2 PRO 23 HB2 PRO 23 -12.323 -11.759 -2.479 180 HB3 PRO 23 HB1 PRO 23 -11.271 -12.798 -3.445 181 HG2 PRO 23 HG2 PRO 23 -13.336 -13.826 -2.134 182 HG3 PRO 23 HG1 PRO 23 -11.791 -14.695 -2.207 183 HD2 PRO 23 HD2 PRO 23 -12.974 -13.112 0.036 184 HD3 PRO 23 HD1 PRO 23 -12.051 -14.627 0.088 185 H GLN 24 HN GLN 24 -11.386 -10.685 0.225 186 HA GLN 24 HA GLN 24 -11.205 -8.258 -1.180 187 HB2 GLN 24 HB2 GLN 24 -11.329 -8.683 1.810 188 HB3 GLN 24 HB1 GLN 24 -11.680 -7.180 0.969 189 HG2 GLN 24 HG2 GLN 24 -13.530 -8.386 -0.214 190 HG3 GLN 24 HG1 GLN 24 -13.240 -9.745 0.870 191 HE21 GLN 24 HE21 GLN 24 -15.601 -8.094 0.554 192 HE22 GLN 24 HE22 GLN 24 -15.910 -7.376 2.100 193 H GLN 25 HN GLN 25 -9.015 -9.852 1.075 194 HA GLN 25 HA GLN 25 -7.363 -7.710 1.708 195 HB2 GLN 25 HB2 GLN 25 -7.298 -9.939 2.809 196 HB3 GLN 25 HB1 GLN 25 -6.520 -10.596 1.375 197 HG2 GLN 25 HG2 GLN 25 -4.637 -9.045 1.718 198 HG3 GLN 25 HG1 GLN 25 -5.413 -8.462 3.188 199 HE21 GLN 25 HE21 GLN 25 -5.449 -11.816 2.169 200 HE22 GLN 25 HE22 GLN 25 -4.424 -12.405 3.429 201 H GLN 26 HN GLN 26 -6.940 -10.117 -0.886 202 HA GLN 26 HA GLN 26 -4.710 -8.695 -1.986 203 HB2 GLN 26 HB2 GLN 26 -6.335 -11.004 -3.046 204 HB3 GLN 26 HB1 GLN 26 -4.943 -10.331 -3.881 205 HG2 GLN 26 HG2 GLN 26 -4.121 -12.205 -2.754 206 HG3 GLN 26 HG1 GLN 26 -3.625 -10.832 -1.769 207 HE21 GLN 26 HE21 GLN 26 -6.881 -12.166 -1.866 208 HE22 GLN 26 HE22 GLN 26 -6.878 -12.745 -0.232 209 H GLN 27 HN GLN 27 -8.104 -9.149 -2.944 210 HA GLN 27 HA GLN 27 -7.769 -7.886 -5.471 211 HB2 GLN 27 HB2 GLN 27 -9.517 -9.620 -4.782 212 HB3 GLN 27 HB1 GLN 27 -10.400 -8.280 -4.066 213 HG2 GLN 27 HG2 GLN 27 -11.271 -8.728 -6.251 214 HG3 GLN 27 HG1 GLN 27 -10.439 -7.170 -6.269 215 HE21 GLN 27 HE21 GLN 27 -10.400 -10.458 -7.357 216 HE22 GLN 27 HE22 GLN 27 -9.122 -10.279 -8.513 217 H GLN 28 HN GLN 28 -9.426 -6.804 -2.494 218 HA GLN 28 HA GLN 28 -10.308 -4.396 -3.749 219 HB2 GLN 28 HB2 GLN 28 -11.573 -5.550 -1.956 220 HB3 GLN 28 HB1 GLN 28 -10.314 -5.102 -0.814 221 HG2 GLN 28 HG2 GLN 28 -12.219 -3.623 -0.638 222 HG3 GLN 28 HG1 GLN 28 -10.792 -2.746 -1.185 223 HE21 GLN 28 HE21 GLN 28 -13.908 -3.990 -2.066 224 HE22 GLN 28 HE22 GLN 28 -14.094 -3.079 -3.527 225 H VAL 29 HN VAL 29 -7.792 -5.163 -1.378 226 HA VAL 29 HA VAL 29 -7.056 -2.534 -0.755 227 HB VAL 29 HB VAL 29 -5.369 -5.045 -0.745 228 HG11 VAL 29 HG11 VAL 29 -4.816 -2.384 0.575 229 HG12 VAL 29 HG12 VAL 29 -3.947 -3.049 -0.808 230 HG13 VAL 29 HG13 VAL 29 -3.859 -3.853 0.758 231 HG21 VAL 29 HG21 VAL 29 -5.834 -5.032 1.667 232 HG22 VAL 29 HG22 VAL 29 -7.313 -5.160 0.714 233 HG23 VAL 29 HG23 VAL 29 -6.871 -3.620 1.453 234 H LEU 30 HN LEU 30 -5.997 -4.679 -3.351 235 HA LEU 30 HA LEU 30 -3.931 -3.059 -4.370 236 HB2 LEU 30 HB2 LEU 30 -4.250 -5.413 -4.990 237 HB3 LEU 30 HB1 LEU 30 -5.740 -5.002 -5.815 238 HG LEU 30 HG LEU 30 -4.392 -3.569 -7.371 239 HD11 LEU 30 HD11 LEU 30 -2.454 -3.225 -5.925 240 HD12 LEU 30 HD12 LEU 30 -1.984 -3.927 -7.473 241 HD13 LEU 30 HD13 LEU 30 -2.065 -4.941 -6.032 242 HD21 LEU 30 HD21 LEU 30 -5.120 -5.817 -7.991 243 HD22 LEU 30 HD22 LEU 30 -3.663 -6.495 -7.263 244 HD23 LEU 30 HD23 LEU 30 -3.539 -5.446 -8.677 245 H ASN 31 HN ASN 31 -7.397 -3.184 -5.029 246 HA ASN 31 HA ASN 31 -7.396 -1.305 -7.149 247 HB2 ASN 31 HB2 ASN 31 -9.616 -2.100 -5.252 248 HB3 ASN 31 HB1 ASN 31 -9.841 -1.125 -6.694 249 HD21 ASN 31 HD21 ASN 31 -7.930 -2.663 -8.283 250 HD22 ASN 31 HD22 ASN 31 -8.709 -4.173 -8.623 251 H ILE 32 HN ILE 32 -7.977 -0.997 -3.663 252 HA ILE 32 HA ILE 32 -8.652 1.741 -3.709 253 HB ILE 32 HB ILE 32 -7.491 0.100 -1.451 254 HG12 ILE 32 HG12 ILE 32 -10.351 0.844 -2.121 255 HG13 ILE 32 HG11 ILE 32 -9.630 -0.750 -2.337 256 HG21 ILE 32 HG21 ILE 32 -8.439 1.843 0.013 257 HG22 ILE 32 HG22 ILE 32 -8.848 2.791 -1.415 258 HG23 ILE 32 HG23 ILE 32 -7.161 2.461 -1.032 259 HD11 ILE 32 HD11 ILE 32 -10.031 0.668 0.286 260 HD12 ILE 32 HD12 ILE 32 -9.313 -0.930 0.075 261 HD13 ILE 32 HD13 ILE 32 -11.005 -0.659 -0.341 262 H LEU 33 HN LEU 33 -5.576 0.065 -3.209 263 HA LEU 33 HA LEU 33 -3.981 2.314 -2.741 264 HB2 LEU 33 HB2 LEU 33 -3.449 -0.419 -3.840 265 HB3 LEU 33 HB1 LEU 33 -2.173 0.784 -3.843 266 HG LEU 33 HG LEU 33 -3.642 -0.143 -1.371 267 HD11 LEU 33 HD11 LEU 33 -0.879 -0.848 -2.357 268 HD12 LEU 33 HD12 LEU 33 -2.275 -1.927 -2.357 269 HD13 LEU 33 HD13 LEU 33 -1.604 -1.351 -0.831 270 HD21 LEU 33 HD21 LEU 33 -1.224 1.615 -1.767 271 HD22 LEU 33 HD22 LEU 33 -1.811 1.028 -0.209 272 HD23 LEU 33 HD23 LEU 33 -2.806 2.120 -1.173 273 H LYS 34 HN LYS 34 -5.163 0.902 -5.727 274 HA LYS 34 HA LYS 34 -3.515 2.306 -7.516 275 HB2 LYS 34 HB2 LYS 34 -4.816 0.378 -8.216 276 HB3 LYS 34 HB1 LYS 34 -6.315 1.234 -7.887 277 HG2 LYS 34 HG2 LYS 34 -5.906 2.761 -9.695 278 HG3 LYS 34 HG1 LYS 34 -4.300 2.079 -9.961 279 HD2 LYS 34 HD2 LYS 34 -5.302 -0.063 -10.565 280 HD3 LYS 34 HD1 LYS 34 -6.911 0.601 -10.280 281 HE2 LYS 34 HE2 LYS 34 -4.971 1.710 -12.301 282 HE3 LYS 34 HE1 LYS 34 -6.201 0.509 -12.682 283 HZ1 LYS 34 HZ1 LYS 34 -6.895 2.785 -13.200 284 HZ2 LYS 34 HZ2 LYS 34 -6.764 3.201 -11.560 285 HZ3 LYS 34 HZ3 LYS 34 -7.909 2.055 -12.056 286 H SER 35 HN SER 35 -6.421 3.243 -5.810 287 HA SER 35 HA SER 35 -6.639 5.702 -7.349 288 HB2 SER 35 HB2 SER 35 -8.577 6.072 -5.630 289 HB3 SER 35 HB1 SER 35 -8.771 4.880 -6.915 290 HG SER 35 HG SER 35 -7.769 4.197 -4.351 291 H ASN 36 HN ASN 36 -4.716 4.717 -4.917 292 HA ASN 36 HA ASN 36 -4.460 7.460 -3.883 293 HB2 ASN 36 HB2 ASN 36 -4.326 4.876 -2.333 294 HB3 ASN 36 HB1 ASN 36 -3.594 6.362 -1.735 295 HD21 ASN 36 HD21 ASN 36 -4.910 8.077 -1.125 296 HD22 ASN 36 HD22 ASN 36 -6.602 7.879 -0.832 297 HA PRO 37 HA PRO 37 -0.823 6.036 -6.305 298 HB2 PRO 37 HB2 PRO 37 0.019 8.623 -6.827 299 HB3 PRO 37 HB1 PRO 37 -1.069 7.676 -7.845 300 HG2 PRO 37 HG2 PRO 37 -1.711 9.772 -5.817 301 HG3 PRO 37 HG1 PRO 37 -2.466 9.464 -7.391 302 HD2 PRO 37 HD2 PRO 37 -3.637 8.712 -5.106 303 HD3 PRO 37 HD1 PRO 37 -3.753 7.723 -6.576 304 H GLN 38 HN GLN 38 -0.926 8.336 -3.645 305 HA GLN 38 HA GLN 38 1.847 8.627 -3.276 306 HB2 GLN 38 HB2 GLN 38 0.314 10.134 -2.177 307 HB3 GLN 38 HB1 GLN 38 -0.423 8.804 -1.294 308 HG2 GLN 38 HG2 GLN 38 1.633 8.447 -0.065 309 HG3 GLN 38 HG1 GLN 38 2.422 9.739 -0.969 310 HE21 GLN 38 HE21 GLN 38 0.016 11.411 -0.948 311 HE22 GLN 38 HE22 GLN 38 -0.103 12.050 0.659 312 H LEU 39 HN LEU 39 -0.441 6.417 -1.642 313 HA LEU 39 HA LEU 39 1.653 5.138 -0.164 314 HB2 LEU 39 HB2 LEU 39 -0.986 5.384 0.246 315 HB3 LEU 39 HB1 LEU 39 -0.985 3.814 -0.530 316 HG LEU 39 HG LEU 39 -0.972 3.668 1.934 317 HD11 LEU 39 HD11 LEU 39 -0.026 1.835 0.651 318 HD12 LEU 39 HD12 LEU 39 0.871 2.069 2.153 319 HD13 LEU 39 HD13 LEU 39 1.539 2.645 0.625 320 HD21 LEU 39 HD21 LEU 39 0.298 5.697 2.399 321 HD22 LEU 39 HD22 LEU 39 1.741 4.957 1.704 322 HD23 LEU 39 HD23 LEU 39 1.032 4.295 3.177 323 H MET 40 HN MET 40 -0.200 4.457 -3.063 324 HA MET 40 HA MET 40 0.609 1.810 -3.500 325 HB2 MET 40 HB2 MET 40 -1.231 3.076 -4.665 326 HB3 MET 40 HB1 MET 40 0.006 3.865 -5.623 327 HG2 MET 40 HG2 MET 40 -1.124 1.965 -6.738 328 HG3 MET 40 HG1 MET 40 0.632 1.820 -6.655 329 HE1 MET 40 HE1 MET 40 -2.050 -0.374 -6.969 330 HE2 MET 40 HE2 MET 40 -1.227 -1.797 -6.325 331 HE3 MET 40 HE3 MET 40 -0.398 -0.741 -7.469 332 H ALA 41 HN ALA 41 1.988 4.874 -4.624 333 HA ALA 41 HA ALA 41 4.078 3.841 -6.168 334 HB1 ALA 41 HB1 ALA 41 3.471 6.189 -6.249 335 HB2 ALA 41 HB2 ALA 41 5.178 6.019 -5.836 336 HB3 ALA 41 HB3 ALA 41 4.001 6.407 -4.579 337 H ALA 42 HN ALA 42 3.962 4.638 -2.718 338 HA ALA 42 HA ALA 42 6.664 4.035 -2.168 339 HB1 ALA 42 HB1 ALA 42 5.293 5.380 -0.664 340 HB2 ALA 42 HB2 ALA 42 5.979 3.996 0.184 341 HB3 ALA 42 HB3 ALA 42 4.286 3.978 -0.309 342 H PHE 43 HN PHE 43 3.722 2.103 -2.111 343 HA PHE 43 HA PHE 43 4.866 -0.214 -0.971 344 HB2 PHE 43 HB2 PHE 43 2.448 0.182 -1.000 345 HB3 PHE 43 HB1 PHE 43 2.438 0.063 -2.755 346 HD1 PHE 43 HD2 PHE 43 3.688 -1.971 0.126 347 HD2 PHE 43 HD1 PHE 43 1.636 -1.895 -3.602 348 HE1 PHE 43 HE2 PHE 43 3.312 -4.397 0.288 349 HE2 PHE 43 HE1 PHE 43 1.253 -4.319 -3.444 350 HZ PHE 43 HZ PHE 43 2.091 -5.575 -1.500 351 H ILE 44 HN ILE 44 4.355 0.786 -4.335 352 HA ILE 44 HA ILE 44 5.429 -1.590 -5.481 353 HB ILE 44 HB ILE 44 5.166 1.177 -6.681 354 HG12 ILE 44 HG12 ILE 44 3.405 -1.270 -6.958 355 HG13 ILE 44 HG11 ILE 44 3.029 0.142 -5.975 356 HG21 ILE 44 HG21 ILE 44 5.689 -1.472 -8.024 357 HG22 ILE 44 HG22 ILE 44 6.829 -0.135 -7.875 358 HG23 ILE 44 HG23 ILE 44 5.374 0.054 -8.852 359 HD11 ILE 44 HD11 ILE 44 2.968 1.523 -7.979 360 HD12 ILE 44 HD12 ILE 44 1.831 0.180 -8.093 361 HD13 ILE 44 HD13 ILE 44 3.363 0.116 -8.967 362 H LYS 45 HN LYS 45 6.799 1.511 -4.537 363 HA LYS 45 HA LYS 45 9.384 1.234 -5.575 364 HB2 LYS 45 HB2 LYS 45 8.443 3.301 -4.569 365 HB3 LYS 45 HB1 LYS 45 8.520 2.546 -2.986 366 HG2 LYS 45 HG2 LYS 45 11.021 2.323 -3.384 367 HG3 LYS 45 HG1 LYS 45 10.786 3.421 -4.744 368 HD2 LYS 45 HD2 LYS 45 10.170 3.973 -1.841 369 HD3 LYS 45 HD1 LYS 45 11.453 4.699 -2.812 370 HE2 LYS 45 HE2 LYS 45 9.831 5.807 -4.212 371 HE3 LYS 45 HE1 LYS 45 8.506 4.978 -3.393 372 HZ1 LYS 45 HZ1 LYS 45 8.648 7.167 -2.528 373 HZ2 LYS 45 HZ2 LYS 45 10.315 7.037 -2.254 374 HZ3 LYS 45 HZ3 LYS 45 9.234 6.128 -1.319 375 H GLN 46 HN GLN 46 8.063 0.325 -2.421 376 HA GLN 46 HA GLN 46 10.502 -0.844 -1.490 377 HB2 GLN 46 HB2 GLN 46 8.930 0.178 0.052 378 HB3 GLN 46 HB1 GLN 46 7.670 -0.939 -0.442 379 HG2 GLN 46 HG2 GLN 46 8.764 -2.766 0.599 380 HG3 GLN 46 HG1 GLN 46 10.225 -1.814 0.869 381 HE21 GLN 46 HE21 GLN 46 10.284 -0.331 2.526 382 HE22 GLN 46 HE22 GLN 46 9.091 -0.273 3.777 383 H ARG 47 HN ARG 47 7.767 -1.936 -3.273 384 HA ARG 47 HA ARG 47 7.139 -3.926 -4.141 385 HB2 ARG 47 HB2 ARG 47 10.108 -4.196 -3.931 386 HB3 ARG 47 HB1 ARG 47 9.156 -5.594 -4.416 387 HG2 ARG 47 HG2 ARG 47 8.445 -4.599 -6.379 388 HG3 ARG 47 HG1 ARG 47 8.769 -2.970 -5.787 389 HD2 ARG 47 HD2 ARG 47 10.945 -4.983 -6.289 390 HD3 ARG 47 HD1 ARG 47 10.356 -3.886 -7.539 391 HE ARG 47 HE ARG 47 10.994 -2.367 -5.280 392 HH11 ARG 47 HH11 ARG 47 12.610 -4.317 -7.699 393 HH12 ARG 47 HH12 ARG 47 14.095 -3.418 -7.619 394 HH21 ARG 47 HH21 ARG 47 12.937 -1.171 -5.178 395 HH22 ARG 47 HH22 ARG 47 14.286 -1.636 -6.169 396 H THR 48 HN THR 48 6.284 -3.751 -1.752 397 HA THR 48 HA THR 48 5.401 -4.917 -0.029 398 HB THR 48 HB THR 48 6.851 -7.361 -1.055 399 HG1 THR 48 HG1 THR 48 5.281 -6.082 -2.512 400 HG21 THR 48 HG21 THR 48 4.985 -8.559 0.041 401 HG22 THR 48 HG22 THR 48 4.376 -7.019 0.649 402 HG23 THR 48 HG23 THR 48 5.943 -7.623 1.188 403 H ALA 49 HN ALA 49 8.590 -6.456 -0.471 404 HA ALA 49 HA ALA 49 9.845 -5.109 1.674 405 HB1 ALA 49 HB1 ALA 49 8.921 -7.920 2.289 406 HB2 ALA 49 HB2 ALA 49 8.350 -6.442 3.064 407 HB3 ALA 49 HB3 ALA 49 10.022 -6.959 3.276 408 H LYS 50 HN LYS 50 10.437 -5.779 -1.018 409 HA LYS 50 HA LYS 50 12.482 -7.870 -0.760 410 HB2 LYS 50 HB2 LYS 50 10.973 -6.793 -3.118 411 HB3 LYS 50 HB1 LYS 50 12.482 -7.669 -3.332 412 HG2 LYS 50 HG2 LYS 50 11.507 -9.583 -2.123 413 HG3 LYS 50 HG1 LYS 50 9.983 -8.702 -2.013 414 HD2 LYS 50 HD2 LYS 50 10.093 -10.365 -3.882 415 HD3 LYS 50 HD1 LYS 50 9.712 -8.715 -4.382 416 HE2 LYS 50 HE2 LYS 50 11.946 -8.358 -5.163 417 HE3 LYS 50 HE1 LYS 50 12.491 -9.883 -4.461 418 HZ1 LYS 50 HZ1 LYS 50 11.459 -11.107 -6.094 419 HZ2 LYS 50 HZ2 LYS 50 11.978 -9.755 -6.973 420 HZ3 LYS 50 HZ3 LYS 50 10.355 -9.882 -6.489 421 H TYR 51 HN TYR 51 14.155 -6.798 0.111 422 HA TYR 51 HA TYR 51 16.205 -5.878 -0.029 423 HB2 TYR 51 HB2 TYR 51 16.225 -6.539 -2.411 424 HB3 TYR 51 HB1 TYR 51 15.485 -4.997 -2.826 425 HD1 TYR 51 HD2 TYR 51 18.404 -6.186 -0.808 426 HD2 TYR 51 HD1 TYR 51 16.927 -3.422 -3.678 427 HE1 TYR 51 HE2 TYR 51 20.635 -5.172 -0.965 428 HE2 TYR 51 HE1 TYR 51 19.157 -2.399 -3.846 429 HH TYR 51 HH TYR 51 21.957 -3.850 -2.404 430 H VAL 52 HN VAL 52 13.534 -3.902 -1.074 431 HA VAL 52 HA VAL 52 14.891 -1.468 -0.268 432 HB VAL 52 HB VAL 52 11.995 -1.720 -1.086 433 HG11 VAL 52 HG11 VAL 52 12.607 0.398 -0.037 434 HG12 VAL 52 HG12 VAL 52 12.253 0.620 -1.752 435 HG13 VAL 52 HG13 VAL 52 13.926 0.598 -1.193 436 HG21 VAL 52 HG21 VAL 52 14.417 -1.320 -2.837 437 HG22 VAL 52 HG22 VAL 52 12.740 -1.152 -3.360 438 HG23 VAL 52 HG23 VAL 52 13.344 -2.721 -2.827 439 H ALA 53 HN ALA 53 14.948 -2.886 1.896 440 HA ALA 53 HA ALA 53 12.674 -2.325 3.601 441 HB1 ALA 53 HB1 ALA 53 13.970 -4.371 3.953 442 HB2 ALA 53 HB2 ALA 53 14.024 -3.330 5.375 443 HB3 ALA 53 HB3 ALA 53 15.409 -3.406 4.288 444 H ASN 54 HN ASN 54 12.708 -0.805 5.334 445 HA ASN 54 HA ASN 54 14.318 1.499 4.501 446 HB2 ASN 54 HB2 ASN 54 11.745 1.541 4.556 447 HB3 ASN 54 HB1 ASN 54 11.903 1.608 6.304 448 HD21 ASN 54 HD21 ASN 54 14.061 3.326 6.582 449 HD22 ASN 54 HD22 ASN 54 13.630 4.888 5.979 450 H GLN 55 HN GLN 55 15.923 -0.035 5.865 451 HA GLN 55 HA GLN 55 16.000 1.060 8.581 452 HB2 GLN 55 HB2 GLN 55 17.732 -1.005 7.212 453 HB3 GLN 55 HB1 GLN 55 18.062 -0.381 8.820 454 HG2 GLN 55 HG2 GLN 55 16.929 -2.228 9.428 455 HG3 GLN 55 HG1 GLN 55 15.541 -1.169 9.189 456 HE21 GLN 55 HE21 GLN 55 17.495 -2.465 6.599 457 HE22 GLN 55 HE22 GLN 55 16.286 -3.517 5.951 458 HA PRO 56 HA PRO 56 18.656 4.176 6.823 459 HB2 PRO 56 HB2 PRO 56 18.467 5.726 9.172 460 HB3 PRO 56 HB1 PRO 56 17.452 5.862 7.737 461 HG2 PRO 56 HG2 PRO 56 16.634 5.019 10.290 462 HG3 PRO 56 HG1 PRO 56 15.706 4.889 8.789 463 HD2 PRO 56 HD2 PRO 56 17.295 2.826 10.222 464 HD3 PRO 56 HD1 PRO 56 15.840 2.644 9.219 465 H GLY 57 HN GLY 57 19.393 1.955 9.033 466 HA2 GLY 57 HA2 GLY 57 21.896 1.646 9.286 467 HA3 GLY 57 HA1 GLY 57 21.857 3.264 9.982 468 H MET 58 HN MET 58 19.819 3.353 11.608 469 HA MET 58 HA MET 58 20.377 1.471 13.713 470 HB2 MET 58 HB2 MET 58 19.837 3.812 14.217 471 HB3 MET 58 HB1 MET 58 18.256 3.620 13.475 472 HG2 MET 58 HG2 MET 58 17.669 1.970 15.197 473 HG3 MET 58 HG1 MET 58 19.246 2.215 15.948 474 HE1 MET 58 HE1 MET 58 16.959 4.921 14.255 475 HE2 MET 58 HE2 MET 58 16.042 5.526 15.634 476 HE3 MET 58 HE3 MET 58 15.784 3.879 15.060 477 H GLN 59 HN GLN 59 19.227 -0.290 14.272 478 HA GLN 59 HA GLN 59 17.363 -1.357 12.368 479 HB2 GLN 59 HB2 GLN 59 18.973 -2.766 13.647 480 HB3 GLN 59 HB1 GLN 59 18.080 -2.398 15.116 481 HG2 GLN 59 HG2 GLN 59 16.076 -3.446 14.095 482 HG3 GLN 59 HG1 GLN 59 17.075 -3.922 12.724 483 HE21 GLN 59 HE21 GLN 59 18.659 -5.502 13.010 484 HE22 GLN 59 HE22 GLN 59 18.655 -6.569 14.375 Start of MODEL 3 1 H2 PRO 1 HT1 PRO 1 -9.632 16.974 -6.370 2 H3 PRO 1 HT2 PRO 1 -10.663 15.919 -5.670 3 HA PRO 1 HA PRO 1 -9.503 14.193 -6.107 4 HB2 PRO 1 HB2 PRO 1 -8.081 14.662 -8.514 5 HB3 PRO 1 HB1 PRO 1 -9.458 13.581 -8.258 6 HG2 PRO 1 HG2 PRO 1 -9.404 16.363 -9.281 7 HG3 PRO 1 HG1 PRO 1 -10.533 15.048 -9.650 8 HD2 PRO 1 HD2 PRO 1 -11.275 17.086 -8.094 9 HD3 PRO 1 HD1 PRO 1 -11.804 15.434 -7.734 10 H ASN 2 HN ASN 2 -8.010 17.282 -7.021 11 HA ASN 2 HA ASN 2 -5.352 16.286 -6.483 12 HB2 ASN 2 HB2 ASN 2 -6.369 19.019 -7.266 13 HB3 ASN 2 HB1 ASN 2 -4.664 18.615 -7.081 14 HD21 ASN 2 HD21 ASN 2 -3.671 17.311 -8.604 15 HD22 ASN 2 HD22 ASN 2 -4.386 16.960 -10.141 16 H ARG 3 HN ARG 3 -7.773 17.640 -4.557 17 HA ARG 3 HA ARG 3 -5.776 18.703 -2.671 18 HB2 ARG 3 HB2 ARG 3 -7.319 20.406 -3.478 19 HB3 ARG 3 HB1 ARG 3 -8.693 19.424 -2.993 20 HG2 ARG 3 HG2 ARG 3 -8.089 19.671 -0.667 21 HG3 ARG 3 HG1 ARG 3 -6.643 20.579 -1.118 22 HD2 ARG 3 HD2 ARG 3 -9.470 21.419 -1.753 23 HD3 ARG 3 HD1 ARG 3 -8.528 22.018 -0.387 24 HE ARG 3 HE ARG 3 -6.963 22.959 -2.033 25 HH11 ARG 3 HH11 ARG 3 -10.198 22.131 -3.127 26 HH12 ARG 3 HH12 ARG 3 -10.153 23.231 -4.467 27 HH21 ARG 3 HH21 ARG 3 -6.929 24.432 -3.747 28 HH22 ARG 3 HH22 ARG 3 -8.310 24.575 -4.804 29 H SER 4 HN SER 4 -5.452 17.615 -0.885 30 HA SER 4 HA SER 4 -5.835 16.563 1.083 31 HB2 SER 4 HB2 SER 4 -7.990 17.833 1.119 32 HB3 SER 4 HB1 SER 4 -8.761 16.466 0.322 33 HG SER 4 HG SER 4 -9.118 16.071 2.412 34 H ILE 5 HN ILE 5 -6.119 14.482 1.929 35 HA ILE 5 HA ILE 5 -6.172 12.352 -0.069 36 HB ILE 5 HB ILE 5 -4.297 12.292 1.468 37 HG12 ILE 5 HG12 ILE 5 -4.699 10.053 2.605 38 HG13 ILE 5 HG11 ILE 5 -6.350 10.145 2.003 39 HG21 ILE 5 HG21 ILE 5 -6.348 12.296 3.673 40 HG22 ILE 5 HG22 ILE 5 -5.162 13.551 3.313 41 HG23 ILE 5 HG23 ILE 5 -4.628 11.979 3.906 42 HD11 ILE 5 HD11 ILE 5 -4.960 8.767 0.572 43 HD12 ILE 5 HD12 ILE 5 -3.857 10.119 0.321 44 HD13 ILE 5 HD13 ILE 5 -5.510 10.205 -0.286 45 H SER 6 HN SER 6 -7.848 10.917 -0.215 46 HA SER 6 HA SER 6 -10.302 11.609 1.048 47 HB2 SER 6 HB2 SER 6 -10.131 10.609 -1.239 48 HB3 SER 6 HB1 SER 6 -9.653 9.083 -0.496 49 HG SER 6 HG SER 6 -12.103 10.470 -0.054 50 HA PRO 7 HA PRO 7 -9.498 9.214 4.755 51 HB2 PRO 7 HB2 PRO 7 -11.789 9.906 6.042 52 HB3 PRO 7 HB1 PRO 7 -10.385 10.974 5.942 53 HG2 PRO 7 HG2 PRO 7 -12.904 10.994 4.342 54 HG3 PRO 7 HG1 PRO 7 -11.989 12.358 5.007 55 HD2 PRO 7 HD2 PRO 7 -11.846 11.597 2.395 56 HD3 PRO 7 HD1 PRO 7 -10.501 12.374 3.254 57 H SER 8 HN SER 8 -12.297 9.054 2.676 58 HA SER 8 HA SER 8 -13.596 6.845 3.846 59 HB2 SER 8 HB2 SER 8 -13.557 7.636 0.924 60 HB3 SER 8 HB1 SER 8 -14.781 6.660 1.732 61 HG SER 8 HG SER 8 -14.667 8.832 3.150 62 H ALA 9 HN ALA 9 -11.179 7.076 1.259 63 HA ALA 9 HA ALA 9 -10.991 4.326 0.704 64 HB1 ALA 9 HB1 ALA 9 -10.125 6.043 -0.804 65 HB2 ALA 9 HB2 ALA 9 -8.873 4.872 -0.387 66 HB3 ALA 9 HB3 ALA 9 -8.884 6.461 0.377 67 H LEU 10 HN LEU 10 -9.386 6.369 3.069 68 HA LEU 10 HA LEU 10 -7.457 4.502 3.934 69 HB2 LEU 10 HB2 LEU 10 -8.749 6.758 5.471 70 HB3 LEU 10 HB1 LEU 10 -7.288 5.914 5.946 71 HG LEU 10 HG LEU 10 -7.596 7.605 3.459 72 HD11 LEU 10 HD11 LEU 10 -6.095 8.154 6.015 73 HD12 LEU 10 HD12 LEU 10 -7.624 8.899 5.550 74 HD13 LEU 10 HD13 LEU 10 -6.171 9.197 4.596 75 HD21 LEU 10 HD21 LEU 10 -6.000 5.758 3.182 76 HD22 LEU 10 HD22 LEU 10 -5.155 6.275 4.641 77 HD23 LEU 10 HD23 LEU 10 -5.186 7.323 3.223 78 H GLN 11 HN GLN 11 -10.753 5.187 4.971 79 HA GLN 11 HA GLN 11 -10.760 3.344 7.130 80 HB2 GLN 11 HB2 GLN 11 -12.997 4.627 5.565 81 HB3 GLN 11 HB1 GLN 11 -13.269 3.567 6.944 82 HG2 GLN 11 HG2 GLN 11 -12.029 5.101 8.373 83 HG3 GLN 11 HG1 GLN 11 -11.732 6.156 6.990 84 HE21 GLN 11 HE21 GLN 11 -12.783 7.881 7.996 85 HE22 GLN 11 HE22 GLN 11 -14.513 7.936 8.139 86 H ASP 12 HN ASP 12 -11.876 3.156 3.763 87 HA ASP 12 HA ASP 12 -12.888 0.541 3.871 88 HB2 ASP 12 HB2 ASP 12 -11.675 2.089 1.576 89 HB3 ASP 12 HB1 ASP 12 -12.392 0.493 1.383 90 H LEU 13 HN LEU 13 -9.663 1.780 3.260 91 HA LEU 13 HA LEU 13 -8.404 -0.600 2.536 92 HB2 LEU 13 HB2 LEU 13 -7.368 1.570 2.225 93 HB3 LEU 13 HB1 LEU 13 -7.307 1.821 3.959 94 HG LEU 13 HG LEU 13 -5.708 -0.032 4.176 95 HD11 LEU 13 HD11 LEU 13 -4.698 -0.991 2.154 96 HD12 LEU 13 HD12 LEU 13 -5.883 -0.132 1.169 97 HD13 LEU 13 HD13 LEU 13 -6.412 -1.384 2.294 98 HD21 LEU 13 HD21 LEU 13 -4.877 2.241 3.889 99 HD22 LEU 13 HD22 LEU 13 -4.922 2.049 2.136 100 HD23 LEU 13 HD23 LEU 13 -3.808 1.080 3.103 101 H LEU 14 HN LEU 14 -8.784 0.885 5.753 102 HA LEU 14 HA LEU 14 -7.231 -1.040 7.103 103 HB2 LEU 14 HB2 LEU 14 -7.936 -0.036 9.096 104 HB3 LEU 14 HB1 LEU 14 -7.950 1.245 7.910 105 HG LEU 14 HG LEU 14 -10.514 0.637 7.739 106 HD11 LEU 14 HD11 LEU 14 -11.423 0.041 9.941 107 HD12 LEU 14 HD12 LEU 14 -9.784 -0.232 10.534 108 HD13 LEU 14 HD13 LEU 14 -10.443 -1.257 9.258 109 HD21 LEU 14 HD21 LEU 14 -9.308 2.232 9.997 110 HD22 LEU 14 HD22 LEU 14 -10.954 2.388 9.388 111 HD23 LEU 14 HD23 LEU 14 -9.587 2.810 8.356 112 H ARG 15 HN ARG 15 -10.602 -0.874 6.280 113 HA ARG 15 HA ARG 15 -11.525 -3.065 7.801 114 HB2 ARG 15 HB2 ARG 15 -12.529 -1.896 5.205 115 HB3 ARG 15 HB1 ARG 15 -13.387 -3.124 6.116 116 HG2 ARG 15 HG2 ARG 15 -12.681 -0.382 7.141 117 HG3 ARG 15 HG1 ARG 15 -14.250 -0.852 6.491 118 HD2 ARG 15 HD2 ARG 15 -14.500 -2.502 8.271 119 HD3 ARG 15 HD1 ARG 15 -12.918 -2.056 8.914 120 HE ARG 15 HE ARG 15 -14.344 0.290 8.814 121 HH11 ARG 15 HH11 ARG 15 -14.813 -2.830 10.342 122 HH12 ARG 15 HH12 ARG 15 -15.690 -2.169 11.696 123 HH21 ARG 15 HH21 ARG 15 -15.472 1.154 10.596 124 HH22 ARG 15 HH22 ARG 15 -16.053 0.089 11.841 125 H THR 16 HN THR 16 -10.505 -2.878 4.401 126 HA THR 16 HA THR 16 -10.952 -5.656 3.965 127 HB THR 16 HB THR 16 -11.237 -4.177 2.115 128 HG1 THR 16 HG1 THR 16 -9.378 -6.206 2.046 129 HG21 THR 16 HG21 THR 16 -9.675 -2.428 2.723 130 HG22 THR 16 HG22 THR 16 -9.363 -2.994 1.079 131 HG23 THR 16 HG23 THR 16 -8.314 -3.507 2.403 132 H LEU 17 HN LEU 17 -8.108 -3.734 4.716 133 HA LEU 17 HA LEU 17 -6.218 -5.703 3.944 134 HB2 LEU 17 HB2 LEU 17 -5.767 -3.278 4.073 135 HB3 LEU 17 HB1 LEU 17 -5.896 -3.357 5.816 136 HG LEU 17 HG LEU 17 -3.859 -5.076 4.450 137 HD11 LEU 17 HD11 LEU 17 -2.242 -3.222 4.576 138 HD12 LEU 17 HD12 LEU 17 -3.561 -2.123 4.985 139 HD13 LEU 17 HD13 LEU 17 -3.530 -2.916 3.410 140 HD21 LEU 17 HD21 LEU 17 -2.605 -4.626 6.506 141 HD22 LEU 17 HD22 LEU 17 -4.195 -5.300 6.859 142 HD23 LEU 17 HD23 LEU 17 -3.904 -3.572 7.069 143 H LYS 18 HN LYS 18 -7.871 -5.011 6.964 144 HA LYS 18 HA LYS 18 -6.107 -6.647 8.527 145 HB2 LYS 18 HB2 LYS 18 -8.772 -5.399 9.181 146 HB3 LYS 18 HB1 LYS 18 -7.811 -6.315 10.332 147 HG2 LYS 18 HG2 LYS 18 -5.975 -4.698 10.049 148 HG3 LYS 18 HG1 LYS 18 -7.007 -3.755 8.970 149 HD2 LYS 18 HD2 LYS 18 -8.633 -3.478 10.786 150 HD3 LYS 18 HD1 LYS 18 -7.579 -4.405 11.858 151 HE2 LYS 18 HE2 LYS 18 -5.808 -2.706 11.505 152 HE3 LYS 18 HE1 LYS 18 -6.954 -1.759 10.556 153 HZ1 LYS 18 HZ1 LYS 18 -8.392 -1.643 12.523 154 HZ2 LYS 18 HZ2 LYS 18 -6.868 -0.949 12.811 155 HZ3 LYS 18 HZ3 LYS 18 -7.229 -2.490 13.422 156 H SER 19 HN SER 19 -8.931 -7.239 6.640 157 HA SER 19 HA SER 19 -9.280 -9.865 7.903 158 HB2 SER 19 HB2 SER 19 -11.042 -8.419 5.904 159 HB3 SER 19 HB1 SER 19 -11.398 -9.980 6.644 160 HG SER 19 HG SER 19 -10.790 -7.967 8.438 161 HA PRO 20 HA PRO 20 -7.023 -11.159 4.194 162 HB2 PRO 20 HB2 PRO 20 -5.589 -13.097 5.316 163 HB3 PRO 20 HB1 PRO 20 -5.230 -11.398 5.648 164 HG2 PRO 20 HG2 PRO 20 -6.637 -13.406 7.346 165 HG3 PRO 20 HG1 PRO 20 -5.533 -12.105 7.825 166 HD2 PRO 20 HD2 PRO 20 -8.343 -12.018 7.905 167 HD3 PRO 20 HD1 PRO 20 -7.247 -10.633 8.054 168 H SER 21 HN SER 21 -9.632 -12.399 5.625 169 HA SER 21 HA SER 21 -9.421 -15.135 4.644 170 HB2 SER 21 HB2 SER 21 -11.669 -13.788 6.160 171 HB3 SER 21 HB1 SER 21 -11.494 -15.519 5.869 172 HG SER 21 HG SER 21 -9.422 -15.305 7.009 173 H SER 22 HN SER 22 -9.572 -12.932 2.728 174 HA SER 22 HA SER 22 -11.629 -13.927 1.031 175 HB2 SER 22 HB2 SER 22 -12.897 -12.454 2.680 176 HB3 SER 22 HB1 SER 22 -12.009 -11.086 2.016 177 HG SER 22 HG SER 22 -13.673 -12.851 0.520 178 HA PRO 23 HA PRO 23 -8.950 -12.430 -2.197 179 HB2 PRO 23 HB2 PRO 23 -11.518 -11.455 -3.372 180 HB3 PRO 23 HB1 PRO 23 -10.215 -12.379 -4.128 181 HG2 PRO 23 HG2 PRO 23 -12.445 -13.596 -3.379 182 HG3 PRO 23 HG1 PRO 23 -10.870 -14.369 -3.126 183 HD2 PRO 23 HD2 PRO 23 -12.676 -13.058 -1.153 184 HD3 PRO 23 HD1 PRO 23 -11.599 -14.452 -0.947 185 H GLN 24 HN GLN 24 -11.179 -10.340 -0.566 186 HA GLN 24 HA GLN 24 -10.615 -7.886 -1.782 187 HB2 GLN 24 HB2 GLN 24 -11.289 -8.440 1.120 188 HB3 GLN 24 HB1 GLN 24 -11.394 -6.872 0.333 189 HG2 GLN 24 HG2 GLN 24 -13.160 -7.663 -1.100 190 HG3 GLN 24 HG1 GLN 24 -12.990 -9.296 -0.461 191 HE21 GLN 24 HE21 GLN 24 -14.144 -6.072 0.167 192 HE22 GLN 24 HE22 GLN 24 -15.070 -6.470 1.573 193 H GLN 25 HN GLN 25 -8.815 -9.756 0.579 194 HA GLN 25 HA GLN 25 -7.240 -7.719 1.665 195 HB2 GLN 25 HB2 GLN 25 -7.461 -10.232 2.318 196 HB3 GLN 25 HB1 GLN 25 -6.146 -10.475 1.179 197 HG2 GLN 25 HG2 GLN 25 -5.919 -8.476 3.396 198 HG3 GLN 25 HG1 GLN 25 -5.602 -10.186 3.671 199 HE21 GLN 25 HE21 GLN 25 -4.485 -7.270 2.149 200 HE22 GLN 25 HE22 GLN 25 -2.915 -7.856 1.733 201 H GLN 26 HN GLN 26 -6.403 -9.939 -1.038 202 HA GLN 26 HA GLN 26 -4.140 -8.317 -1.740 203 HB2 GLN 26 HB2 GLN 26 -3.966 -9.804 -3.721 204 HB3 GLN 26 HB1 GLN 26 -4.023 -10.676 -2.197 205 HG2 GLN 26 HG2 GLN 26 -6.337 -11.252 -2.569 206 HG3 GLN 26 HG1 GLN 26 -6.373 -10.275 -4.032 207 HE21 GLN 26 HE21 GLN 26 -3.636 -12.248 -3.160 208 HE22 GLN 26 HE22 GLN 26 -3.845 -13.426 -4.405 209 H GLN 27 HN GLN 27 -7.357 -8.831 -3.188 210 HA GLN 27 HA GLN 27 -6.747 -7.262 -5.484 211 HB2 GLN 27 HB2 GLN 27 -9.394 -8.281 -4.466 212 HB3 GLN 27 HB1 GLN 27 -9.148 -7.519 -6.031 213 HG2 GLN 27 HG2 GLN 27 -7.878 -10.081 -5.089 214 HG3 GLN 27 HG1 GLN 27 -9.217 -9.939 -6.224 215 HE21 GLN 27 HE21 GLN 27 -8.118 -10.986 -7.859 216 HE22 GLN 27 HE22 GLN 27 -6.794 -10.264 -8.711 217 H GLN 28 HN GLN 28 -8.799 -6.601 -2.643 218 HA GLN 28 HA GLN 28 -9.727 -4.129 -3.691 219 HB2 GLN 28 HB2 GLN 28 -11.058 -5.326 -2.071 220 HB3 GLN 28 HB1 GLN 28 -9.774 -5.223 -0.877 221 HG2 GLN 28 HG2 GLN 28 -11.369 -3.627 -0.252 222 HG3 GLN 28 HG1 GLN 28 -10.046 -2.721 -0.974 223 HE21 GLN 28 HE21 GLN 28 -10.855 -3.426 -3.711 224 HE22 GLN 28 HE22 GLN 28 -12.259 -2.473 -4.046 225 H VAL 29 HN VAL 29 -7.245 -4.942 -1.276 226 HA VAL 29 HA VAL 29 -6.487 -2.317 -0.661 227 HB VAL 29 HB VAL 29 -4.777 -4.817 -0.689 228 HG11 VAL 29 HG11 VAL 29 -3.335 -2.887 -0.764 229 HG12 VAL 29 HG12 VAL 29 -3.311 -3.550 0.870 230 HG13 VAL 29 HG13 VAL 29 -4.256 -2.102 0.518 231 HG21 VAL 29 HG21 VAL 29 -6.686 -4.974 0.807 232 HG22 VAL 29 HG22 VAL 29 -6.267 -3.426 1.538 233 HG23 VAL 29 HG23 VAL 29 -5.196 -4.813 1.735 234 H LEU 30 HN LEU 30 -5.308 -4.527 -3.171 235 HA LEU 30 HA LEU 30 -3.337 -2.929 -4.285 236 HB2 LEU 30 HB2 LEU 30 -3.746 -5.275 -4.904 237 HB3 LEU 30 HB1 LEU 30 -5.223 -4.797 -5.718 238 HG LEU 30 HG LEU 30 -3.847 -3.419 -7.286 239 HD11 LEU 30 HD11 LEU 30 -1.557 -4.792 -5.893 240 HD12 LEU 30 HD12 LEU 30 -1.902 -3.062 -5.893 241 HD13 LEU 30 HD13 LEU 30 -1.433 -3.868 -7.391 242 HD21 LEU 30 HD21 LEU 30 -3.023 -5.320 -8.582 243 HD22 LEU 30 HD22 LEU 30 -4.610 -5.663 -7.891 244 HD23 LEU 30 HD23 LEU 30 -3.160 -6.353 -7.160 245 H ASN 31 HN ASN 31 -6.791 -3.052 -4.985 246 HA ASN 31 HA ASN 31 -6.722 -1.129 -7.053 247 HB2 ASN 31 HB2 ASN 31 -8.537 -2.719 -6.944 248 HB3 ASN 31 HB1 ASN 31 -9.001 -2.144 -5.347 249 HD21 ASN 31 HD21 ASN 31 -8.951 -1.418 -8.760 250 HD22 ASN 31 HD22 ASN 31 -10.146 -0.156 -8.704 251 H ILE 32 HN ILE 32 -7.459 -0.854 -3.572 252 HA ILE 32 HA ILE 32 -8.407 1.798 -3.688 253 HB ILE 32 HB ILE 32 -7.113 0.345 -1.366 254 HG12 ILE 32 HG12 ILE 32 -10.024 0.883 -2.019 255 HG13 ILE 32 HG11 ILE 32 -9.209 -0.665 -2.218 256 HG21 ILE 32 HG21 ILE 32 -6.941 2.745 -1.041 257 HG22 ILE 32 HG22 ILE 32 -8.182 2.096 0.032 258 HG23 ILE 32 HG23 ILE 32 -8.645 2.951 -1.439 259 HD11 ILE 32 HD11 ILE 32 -8.847 -0.783 0.187 260 HD12 ILE 32 HD12 ILE 32 -10.558 -0.611 -0.201 261 HD13 ILE 32 HD13 ILE 32 -9.642 0.777 0.386 262 H LEU 33 HN LEU 33 -5.194 0.484 -2.907 263 HA LEU 33 HA LEU 33 -3.983 2.897 -2.294 264 HB2 LEU 33 HB2 LEU 33 -2.978 0.257 -3.188 265 HB3 LEU 33 HB1 LEU 33 -1.871 1.610 -3.198 266 HG LEU 33 HG LEU 33 -1.652 0.267 -1.166 267 HD11 LEU 33 HD11 LEU 33 -1.749 2.021 0.482 268 HD12 LEU 33 HD12 LEU 33 -2.815 2.968 -0.554 269 HD13 LEU 33 HD13 LEU 33 -1.149 2.659 -1.052 270 HD21 LEU 33 HD21 LEU 33 -4.471 1.088 -0.532 271 HD22 LEU 33 HD22 LEU 33 -3.377 0.167 0.503 272 HD23 LEU 33 HD23 LEU 33 -3.951 -0.526 -1.012 273 H LYS 34 HN LYS 34 -4.693 1.553 -5.450 274 HA LYS 34 HA LYS 34 -2.823 3.183 -6.842 275 HB2 LYS 34 HB2 LYS 34 -3.767 1.073 -7.737 276 HB3 LYS 34 HB1 LYS 34 -5.327 1.867 -7.898 277 HG2 LYS 34 HG2 LYS 34 -4.330 3.465 -9.478 278 HG3 LYS 34 HG1 LYS 34 -2.789 2.615 -9.342 279 HD2 LYS 34 HD2 LYS 34 -3.832 0.577 -10.201 280 HD3 LYS 34 HD1 LYS 34 -5.379 1.419 -10.332 281 HE2 LYS 34 HE2 LYS 34 -4.352 3.002 -11.914 282 HE3 LYS 34 HE1 LYS 34 -2.840 2.104 -11.810 283 HZ1 LYS 34 HZ1 LYS 34 -3.875 0.205 -12.786 284 HZ2 LYS 34 HZ2 LYS 34 -4.219 1.544 -13.769 285 HZ3 LYS 34 HZ3 LYS 34 -5.407 0.927 -12.729 286 H SER 35 HN SER 35 -5.984 3.855 -5.565 287 HA SER 35 HA SER 35 -6.703 5.703 -7.660 288 HB2 SER 35 HB2 SER 35 -8.770 6.025 -6.371 289 HB3 SER 35 HB1 SER 35 -8.406 4.315 -6.605 290 HG SER 35 HG SER 35 -7.632 4.231 -4.482 291 H ASN 36 HN ASN 36 -5.146 6.043 -4.576 292 HA ASN 36 HA ASN 36 -4.893 8.875 -4.734 293 HB2 ASN 36 HB2 ASN 36 -7.338 8.679 -4.137 294 HB3 ASN 36 HB1 ASN 36 -6.848 7.906 -2.632 295 HD21 ASN 36 HD21 ASN 36 -5.065 10.544 -4.104 296 HD22 ASN 36 HD22 ASN 36 -5.449 11.720 -2.898 297 HA PRO 37 HA PRO 37 -2.951 6.431 -0.756 298 HB2 PRO 37 HB2 PRO 37 -3.840 3.905 -2.057 299 HB3 PRO 37 HB1 PRO 37 -3.457 4.220 -0.359 300 HG2 PRO 37 HG2 PRO 37 -5.969 4.123 -1.091 301 HG3 PRO 37 HG1 PRO 37 -5.433 5.437 -0.022 302 HD2 PRO 37 HD2 PRO 37 -6.011 5.491 -2.951 303 HD3 PRO 37 HD1 PRO 37 -6.382 6.702 -1.709 304 H GLN 38 HN GLN 38 -2.773 6.832 -3.936 305 HA GLN 38 HA GLN 38 -1.187 5.047 -5.193 306 HB2 GLN 38 HB2 GLN 38 -0.395 7.001 -6.579 307 HB3 GLN 38 HB1 GLN 38 -2.139 6.811 -6.435 308 HG2 GLN 38 HG2 GLN 38 -2.193 8.567 -4.745 309 HG3 GLN 38 HG1 GLN 38 -0.442 8.733 -4.852 310 HE21 GLN 38 HE21 GLN 38 0.458 9.767 -6.596 311 HE22 GLN 38 HE22 GLN 38 -0.471 10.685 -7.727 312 H LEU 39 HN LEU 39 -0.091 7.087 -2.634 313 HA LEU 39 HA LEU 39 2.649 7.039 -2.919 314 HB2 LEU 39 HB2 LEU 39 1.218 7.745 -0.910 315 HB3 LEU 39 HB1 LEU 39 1.224 6.054 -0.444 316 HG LEU 39 HG LEU 39 2.870 7.593 0.735 317 HD11 LEU 39 HD11 LEU 39 4.624 5.922 0.813 318 HD12 LEU 39 HD12 LEU 39 3.993 5.169 -0.652 319 HD13 LEU 39 HD13 LEU 39 3.034 5.160 0.827 320 HD21 LEU 39 HD21 LEU 39 4.289 7.385 -1.911 321 HD22 LEU 39 HD22 LEU 39 4.980 8.032 -0.422 322 HD23 LEU 39 HD23 LEU 39 3.620 8.850 -1.192 323 H MET 40 HN MET 40 0.449 4.264 -2.279 324 HA MET 40 HA MET 40 2.574 2.342 -2.170 325 HB2 MET 40 HB2 MET 40 0.367 1.740 -1.265 326 HB3 MET 40 HB1 MET 40 -0.318 1.830 -2.886 327 HG2 MET 40 HG2 MET 40 1.279 0.061 -3.592 328 HG3 MET 40 HG1 MET 40 1.785 -0.102 -1.916 329 HE1 MET 40 HE1 MET 40 -1.398 -0.181 -4.276 330 HE2 MET 40 HE2 MET 40 -1.904 -1.834 -3.952 331 HE3 MET 40 HE3 MET 40 -0.315 -1.521 -4.646 332 H ALA 41 HN ALA 41 0.711 3.799 -4.759 333 HA ALA 41 HA ALA 41 1.358 1.994 -6.813 334 HB1 ALA 41 HB1 ALA 41 1.125 3.850 -8.389 335 HB2 ALA 41 HB2 ALA 41 1.192 5.000 -7.052 336 HB3 ALA 41 HB3 ALA 41 -0.160 3.874 -7.182 337 H ALA 42 HN ALA 42 3.264 4.641 -5.442 338 HA ALA 42 HA ALA 42 5.618 4.136 -6.970 339 HB1 ALA 42 HB1 ALA 42 6.752 5.524 -5.312 340 HB2 ALA 42 HB2 ALA 42 5.331 5.451 -4.271 341 HB3 ALA 42 HB3 ALA 42 5.240 6.269 -5.830 342 H PHE 43 HN PHE 43 4.491 3.130 -3.779 343 HA PHE 43 HA PHE 43 6.624 1.694 -2.802 344 HB2 PHE 43 HB2 PHE 43 4.695 2.082 -1.440 345 HB3 PHE 43 HB1 PHE 43 3.647 1.246 -2.569 346 HD1 PHE 43 HD1 PHE 43 6.897 0.067 -1.181 347 HD2 PHE 43 HD2 PHE 43 2.656 -0.374 -1.250 348 HE1 PHE 43 HE1 PHE 43 7.086 -1.979 0.176 349 HE2 PHE 43 HE2 PHE 43 2.835 -2.418 0.094 350 HZ PHE 43 HZ PHE 43 5.058 -3.226 0.812 351 H ILE 44 HN ILE 44 4.111 0.534 -5.038 352 HA ILE 44 HA ILE 44 4.969 -2.135 -5.218 353 HB ILE 44 HB ILE 44 3.587 -0.457 -7.320 354 HG12 ILE 44 HG12 ILE 44 2.458 -2.373 -5.268 355 HG13 ILE 44 HG11 ILE 44 2.347 -0.616 -5.199 356 HG21 ILE 44 HG21 ILE 44 3.858 -3.454 -7.107 357 HG22 ILE 44 HG22 ILE 44 4.602 -2.419 -8.327 358 HG23 ILE 44 HG23 ILE 44 2.847 -2.599 -8.272 359 HD11 ILE 44 HD11 ILE 44 0.276 -1.629 -5.985 360 HD12 ILE 44 HD12 ILE 44 1.146 -2.367 -7.330 361 HD13 ILE 44 HD13 ILE 44 1.008 -0.611 -7.227 362 H LYS 45 HN LYS 45 5.939 0.747 -7.008 363 HA LYS 45 HA LYS 45 7.522 -0.650 -8.924 364 HB2 LYS 45 HB2 LYS 45 7.587 2.258 -8.103 365 HB3 LYS 45 HB1 LYS 45 8.347 1.585 -9.538 366 HG2 LYS 45 HG2 LYS 45 6.199 1.002 -10.461 367 HG3 LYS 45 HG1 LYS 45 5.389 1.521 -8.982 368 HD2 LYS 45 HD2 LYS 45 6.187 3.811 -9.363 369 HD3 LYS 45 HD1 LYS 45 6.965 3.286 -10.857 370 HE2 LYS 45 HE2 LYS 45 4.821 2.690 -11.800 371 HE3 LYS 45 HE1 LYS 45 4.013 3.076 -10.283 372 HZ1 LYS 45 HZ1 LYS 45 3.801 4.852 -11.923 373 HZ2 LYS 45 HZ2 LYS 45 5.484 5.019 -11.977 374 HZ3 LYS 45 HZ3 LYS 45 4.646 5.378 -10.546 375 H GLN 46 HN GLN 46 8.111 0.665 -5.752 376 HA GLN 46 HA GLN 46 10.983 0.474 -5.987 377 HB2 GLN 46 HB2 GLN 46 9.872 2.203 -4.586 378 HB3 GLN 46 HB1 GLN 46 9.287 0.930 -3.527 379 HG2 GLN 46 HG2 GLN 46 11.205 1.955 -2.535 380 HG3 GLN 46 HG1 GLN 46 11.628 0.316 -3.028 381 HE21 GLN 46 HE21 GLN 46 12.122 3.702 -3.577 382 HE22 GLN 46 HE22 GLN 46 13.483 3.537 -4.635 383 H ARG 47 HN ARG 47 8.377 -1.297 -4.421 384 HA ARG 47 HA ARG 47 8.181 -3.391 -3.589 385 HB2 ARG 47 HB2 ARG 47 10.736 -3.913 -5.109 386 HB3 ARG 47 HB1 ARG 47 9.739 -5.154 -4.363 387 HG2 ARG 47 HG2 ARG 47 7.863 -4.421 -5.830 388 HG3 ARG 47 HG1 ARG 47 8.998 -3.348 -6.650 389 HD2 ARG 47 HD2 ARG 47 8.793 -5.386 -7.908 390 HD3 ARG 47 HD1 ARG 47 10.401 -5.313 -7.189 391 HE ARG 47 HE ARG 47 8.967 -6.724 -5.367 392 HH11 ARG 47 HH11 ARG 47 9.462 -7.056 -8.819 393 HH12 ARG 47 HH12 ARG 47 9.289 -8.784 -8.810 394 HH21 ARG 47 HH21 ARG 47 8.774 -8.993 -5.343 395 HH22 ARG 47 HH22 ARG 47 8.891 -9.891 -6.824 396 H THR 48 HN THR 48 9.871 -1.269 -2.288 397 HA THR 48 HA THR 48 11.062 -0.970 -0.391 398 HB THR 48 HB THR 48 10.724 -3.954 -0.008 399 HG1 THR 48 HG1 THR 48 9.239 -1.660 0.744 400 HG21 THR 48 HG21 THR 48 11.242 -3.469 2.363 401 HG22 THR 48 HG22 THR 48 11.624 -1.807 1.922 402 HG23 THR 48 HG23 THR 48 12.608 -3.130 1.300 403 H ALA 49 HN ALA 49 13.095 -0.412 -0.505 404 HA ALA 49 HA ALA 49 14.881 -1.571 -2.377 405 HB1 ALA 49 HB1 ALA 49 14.856 0.822 -1.807 406 HB2 ALA 49 HB2 ALA 49 16.458 0.104 -1.636 407 HB3 ALA 49 HB3 ALA 49 15.479 0.429 -0.205 408 H LYS 50 HN LYS 50 14.965 -3.764 -1.635 409 HA LYS 50 HA LYS 50 16.514 -4.259 0.784 410 HB2 LYS 50 HB2 LYS 50 15.268 -6.167 -1.205 411 HB3 LYS 50 HB1 LYS 50 16.098 -6.649 0.269 412 HG2 LYS 50 HG2 LYS 50 14.426 -5.538 1.615 413 HG3 LYS 50 HG1 LYS 50 13.615 -4.948 0.163 414 HD2 LYS 50 HD2 LYS 50 12.458 -6.897 1.046 415 HD3 LYS 50 HD1 LYS 50 13.181 -7.269 -0.519 416 HE2 LYS 50 HE2 LYS 50 13.528 -9.104 1.026 417 HE3 LYS 50 HE1 LYS 50 15.068 -8.349 0.619 418 HZ1 LYS 50 HZ1 LYS 50 14.759 -8.889 3.015 419 HZ2 LYS 50 HZ2 LYS 50 13.538 -7.721 3.087 420 HZ3 LYS 50 HZ3 LYS 50 15.129 -7.263 2.714 421 H TYR 51 HN TYR 51 16.881 -4.199 -2.666 422 HA TYR 51 HA TYR 51 19.712 -4.807 -2.383 423 HB2 TYR 51 HB2 TYR 51 19.554 -6.360 -4.399 424 HB3 TYR 51 HB1 TYR 51 18.955 -6.993 -2.871 425 HD1 TYR 51 HD1 TYR 51 17.822 -5.399 -6.043 426 HD2 TYR 51 HD2 TYR 51 16.793 -7.854 -2.722 427 HE1 TYR 51 HE1 TYR 51 15.674 -5.931 -7.112 428 HE2 TYR 51 HE2 TYR 51 14.640 -8.391 -3.779 429 HH TYR 51 HH TYR 51 13.943 -7.551 -7.063 430 H VAL 52 HN VAL 52 20.941 -4.354 -4.322 431 HA VAL 52 HA VAL 52 21.633 -3.047 -6.020 432 HB VAL 52 HB VAL 52 18.707 -2.777 -6.733 433 HG11 VAL 52 HG11 VAL 52 21.193 -2.285 -8.371 434 HG12 VAL 52 HG12 VAL 52 20.084 -1.052 -7.770 435 HG13 VAL 52 HG13 VAL 52 19.535 -2.221 -8.971 436 HG21 VAL 52 HG21 VAL 52 19.167 -4.572 -8.346 437 HG22 VAL 52 HG22 VAL 52 19.410 -5.106 -6.684 438 HG23 VAL 52 HG23 VAL 52 20.800 -4.725 -7.699 439 H ALA 53 HN ALA 53 18.574 -1.320 -5.445 440 HA ALA 53 HA ALA 53 20.106 1.135 -5.122 441 HB1 ALA 53 HB1 ALA 53 17.952 2.272 -5.330 442 HB2 ALA 53 HB2 ALA 53 17.129 0.712 -5.356 443 HB3 ALA 53 HB3 ALA 53 18.221 1.156 -6.669 444 H ASN 54 HN ASN 54 20.760 -0.152 -3.040 445 HA ASN 54 HA ASN 54 18.976 -0.242 -0.861 446 HB2 ASN 54 HB2 ASN 54 21.997 -0.120 -0.906 447 HB3 ASN 54 HB1 ASN 54 21.037 -0.448 0.533 448 HD21 ASN 54 HD21 ASN 54 19.933 -2.403 0.705 449 HD22 ASN 54 HD22 ASN 54 20.323 -3.760 -0.300 450 H GLN 55 HN GLN 55 21.116 2.255 -2.075 451 HA GLN 55 HA GLN 55 20.448 4.047 0.092 452 HB2 GLN 55 HB2 GLN 55 21.715 5.733 -1.236 453 HB3 GLN 55 HB1 GLN 55 22.643 4.299 -0.835 454 HG2 GLN 55 HG2 GLN 55 22.295 3.440 -3.093 455 HG3 GLN 55 HG1 GLN 55 21.361 4.882 -3.496 456 HE21 GLN 55 HE21 GLN 55 24.173 4.989 -1.439 457 HE22 GLN 55 HE22 GLN 55 25.212 5.811 -2.559 458 HA PRO 56 HA PRO 56 16.651 5.148 -1.863 459 HB2 PRO 56 HB2 PRO 56 16.251 7.095 0.244 460 HB3 PRO 56 HB1 PRO 56 15.456 5.537 0.008 461 HG2 PRO 56 HG2 PRO 56 17.179 6.040 2.058 462 HG3 PRO 56 HG1 PRO 56 16.938 4.429 1.359 463 HD2 PRO 56 HD2 PRO 56 19.137 6.406 0.848 464 HD3 PRO 56 HD1 PRO 56 19.236 4.645 1.075 465 H GLY 57 HN GLY 57 19.349 7.007 -1.958 466 HA2 GLY 57 HA2 GLY 57 18.553 8.675 -3.982 467 HA3 GLY 57 HA1 GLY 57 18.206 9.574 -2.510 468 H MET 58 HN MET 58 19.762 11.096 -3.390 469 HA MET 58 HA MET 58 22.536 10.303 -3.483 470 HB2 MET 58 HB2 MET 58 21.670 12.033 -5.004 471 HB3 MET 58 HB1 MET 58 21.250 13.039 -3.626 472 HG2 MET 58 HG2 MET 58 23.287 13.826 -4.632 473 HG3 MET 58 HG1 MET 58 23.619 13.185 -3.026 474 HE1 MET 58 HE1 MET 58 23.975 12.629 -6.893 475 HE2 MET 58 HE2 MET 58 22.979 11.260 -6.400 476 HE3 MET 58 HE3 MET 58 24.629 10.990 -6.961 477 H GLN 59 HN GLN 59 24.056 10.626 -1.966 478 HA GLN 59 HA GLN 59 25.042 11.027 0.031 479 HB2 GLN 59 HB2 GLN 59 22.918 13.139 0.447 480 HB3 GLN 59 HB1 GLN 59 24.457 13.017 1.290 481 HG2 GLN 59 HG2 GLN 59 24.230 13.433 -1.676 482 HG3 GLN 59 HG1 GLN 59 24.315 14.755 -0.516 483 HE21 GLN 59 HE21 GLN 59 26.213 15.496 -1.448 484 HE22 GLN 59 HE22 GLN 59 27.734 14.711 -1.175 Start of MODEL 4 1 H2 PRO 1 HT1 PRO 1 -15.529 11.490 -8.194 2 H3 PRO 1 HT2 PRO 1 -14.984 9.998 -8.586 3 HA PRO 1 HA PRO 1 -13.383 10.924 -9.565 4 HB2 PRO 1 HB2 PRO 1 -14.723 12.289 -11.724 5 HB3 PRO 1 HB1 PRO 1 -13.804 10.777 -11.767 6 HG2 PRO 1 HG2 PRO 1 -16.519 10.915 -12.084 7 HG3 PRO 1 HG1 PRO 1 -15.665 9.489 -11.465 8 HD2 PRO 1 HD2 PRO 1 -17.120 11.635 -9.950 9 HD3 PRO 1 HD1 PRO 1 -17.132 9.880 -9.696 10 H ASN 2 HN ASN 2 -12.334 12.525 -8.608 11 HA ASN 2 HA ASN 2 -12.817 15.242 -9.304 12 HB2 ASN 2 HB2 ASN 2 -13.249 16.133 -7.062 13 HB3 ASN 2 HB1 ASN 2 -14.537 15.038 -7.546 14 HD21 ASN 2 HD21 ASN 2 -13.559 15.933 -4.891 15 HD22 ASN 2 HD22 ASN 2 -13.257 14.465 -4.014 16 H ARG 3 HN ARG 3 -11.179 16.685 -8.237 17 HA ARG 3 HA ARG 3 -8.681 15.185 -8.035 18 HB2 ARG 3 HB2 ARG 3 -8.984 17.176 -9.591 19 HB3 ARG 3 HB1 ARG 3 -9.017 18.185 -8.152 20 HG2 ARG 3 HG2 ARG 3 -6.765 17.389 -7.568 21 HG3 ARG 3 HG1 ARG 3 -6.735 16.439 -9.055 22 HD2 ARG 3 HD2 ARG 3 -5.556 18.563 -9.328 23 HD3 ARG 3 HD1 ARG 3 -6.976 18.477 -10.373 24 HE ARG 3 HE ARG 3 -7.279 19.801 -7.784 25 HH11 ARG 3 HH11 ARG 3 -6.872 20.123 -11.249 26 HH12 ARG 3 HH12 ARG 3 -7.467 21.755 -11.292 27 HH21 ARG 3 HH21 ARG 3 -8.050 21.927 -7.837 28 HH22 ARG 3 HH22 ARG 3 -8.157 22.775 -9.348 29 H SER 4 HN SER 4 -10.147 14.730 -5.894 30 HA SER 4 HA SER 4 -8.552 15.850 -3.763 31 HB2 SER 4 HB2 SER 4 -11.579 16.043 -3.669 32 HB3 SER 4 HB1 SER 4 -10.464 16.513 -2.386 33 HG SER 4 HG SER 4 -9.704 17.774 -4.584 34 H ILE 5 HN ILE 5 -8.064 14.223 -2.397 35 HA ILE 5 HA ILE 5 -8.928 11.607 -3.095 36 HB ILE 5 HB ILE 5 -7.371 12.418 -0.637 37 HG12 ILE 5 HG12 ILE 5 -6.210 13.308 -2.549 38 HG13 ILE 5 HG11 ILE 5 -5.360 11.854 -2.037 39 HG21 ILE 5 HG21 ILE 5 -7.502 9.801 -2.128 40 HG22 ILE 5 HG22 ILE 5 -8.264 10.145 -0.577 41 HG23 ILE 5 HG23 ILE 5 -6.506 10.140 -0.712 42 HD11 ILE 5 HD11 ILE 5 -6.443 10.597 -3.833 43 HD12 ILE 5 HD12 ILE 5 -5.511 11.961 -4.448 44 HD13 ILE 5 HD13 ILE 5 -7.271 12.063 -4.355 45 H SER 6 HN SER 6 -10.800 10.754 -2.566 46 HA SER 6 HA SER 6 -12.495 11.741 -0.529 47 HB2 SER 6 HB2 SER 6 -12.662 9.043 -1.886 48 HB3 SER 6 HB1 SER 6 -13.982 9.973 -1.174 49 HG SER 6 HG SER 6 -13.323 11.641 -2.814 50 HA PRO 7 HA PRO 7 -10.694 9.605 2.971 51 HB2 PRO 7 HB2 PRO 7 -13.274 10.180 4.268 52 HB3 PRO 7 HB1 PRO 7 -11.649 10.704 4.717 53 HG2 PRO 7 HG2 PRO 7 -13.442 12.411 3.686 54 HG3 PRO 7 HG1 PRO 7 -11.711 12.540 3.316 55 HD2 PRO 7 HD2 PRO 7 -13.927 11.391 1.658 56 HD3 PRO 7 HD1 PRO 7 -12.564 12.415 1.160 57 H SER 8 HN SER 8 -13.435 8.703 1.218 58 HA SER 8 HA SER 8 -14.538 6.602 2.656 59 HB2 SER 8 HB2 SER 8 -14.136 6.460 -0.326 60 HB3 SER 8 HB1 SER 8 -15.530 5.951 0.630 61 HG SER 8 HG SER 8 -15.906 8.204 1.077 62 H ALA 9 HN ALA 9 -11.751 6.684 0.486 63 HA ALA 9 HA ALA 9 -11.256 3.922 0.401 64 HB1 ALA 9 HB1 ALA 9 -10.333 5.477 -1.217 65 HB2 ALA 9 HB2 ALA 9 -9.050 4.545 -0.444 66 HB3 ALA 9 HB3 ALA 9 -9.340 6.216 0.039 67 H LEU 10 HN LEU 10 -10.269 6.407 2.668 68 HA LEU 10 HA LEU 10 -8.185 4.936 3.897 69 HB2 LEU 10 HB2 LEU 10 -9.848 7.193 5.023 70 HB3 LEU 10 HB1 LEU 10 -8.334 6.613 5.686 71 HG LEU 10 HG LEU 10 -8.681 7.940 2.995 72 HD11 LEU 10 HD11 LEU 10 -8.939 9.495 4.840 73 HD12 LEU 10 HD12 LEU 10 -7.407 9.769 4.006 74 HD13 LEU 10 HD13 LEU 10 -7.430 8.922 5.555 75 HD21 LEU 10 HD21 LEU 10 -6.204 6.957 4.408 76 HD22 LEU 10 HD22 LEU 10 -6.222 7.930 2.938 77 HD23 LEU 10 HD23 LEU 10 -6.899 6.301 2.925 78 H GLN 11 HN GLN 11 -11.575 5.479 4.755 79 HA GLN 11 HA GLN 11 -11.468 3.848 7.092 80 HB2 GLN 11 HB2 GLN 11 -13.826 4.202 7.271 81 HB3 GLN 11 HB1 GLN 11 -13.101 5.697 6.711 82 HG2 GLN 11 HG2 GLN 11 -13.810 5.198 4.431 83 HG3 GLN 11 HG1 GLN 11 -14.562 3.709 5.001 84 HE21 GLN 11 HE21 GLN 11 -15.776 6.023 3.692 85 HE22 GLN 11 HE22 GLN 11 -16.994 6.606 4.771 86 H ASP 12 HN ASP 12 -12.317 3.349 3.757 87 HA ASP 12 HA ASP 12 -13.455 0.772 4.018 88 HB2 ASP 12 HB2 ASP 12 -13.568 2.397 2.032 89 HB3 ASP 12 HB1 ASP 12 -11.989 1.768 1.580 90 H LEU 13 HN LEU 13 -10.172 1.926 3.530 91 HA LEU 13 HA LEU 13 -8.925 -0.473 2.834 92 HB2 LEU 13 HB2 LEU 13 -7.857 1.712 2.612 93 HB3 LEU 13 HB1 LEU 13 -7.808 1.883 4.355 94 HG LEU 13 HG LEU 13 -6.265 -0.056 4.479 95 HD11 LEU 13 HD11 LEU 13 -6.329 0.124 1.471 96 HD12 LEU 13 HD12 LEU 13 -6.930 -1.212 2.454 97 HD13 LEU 13 HD13 LEU 13 -5.204 -0.850 2.415 98 HD21 LEU 13 HD21 LEU 13 -4.312 1.115 3.578 99 HD22 LEU 13 HD22 LEU 13 -5.391 2.215 4.437 100 HD23 LEU 13 HD23 LEU 13 -5.379 2.191 2.674 101 H LEU 14 HN LEU 14 -9.379 0.990 6.035 102 HA LEU 14 HA LEU 14 -7.947 -0.951 7.478 103 HB2 LEU 14 HB2 LEU 14 -8.814 0.053 9.418 104 HB3 LEU 14 HB1 LEU 14 -8.706 1.333 8.232 105 HG LEU 14 HG LEU 14 -11.266 0.615 7.851 106 HD11 LEU 14 HD11 LEU 14 -12.333 0.242 10.010 107 HD12 LEU 14 HD12 LEU 14 -10.753 0.149 10.788 108 HD13 LEU 14 HD13 LEU 14 -11.232 -1.078 9.615 109 HD21 LEU 14 HD21 LEU 14 -10.527 2.871 8.199 110 HD22 LEU 14 HD22 LEU 14 -10.164 2.537 9.893 111 HD23 LEU 14 HD23 LEU 14 -11.835 2.523 9.332 112 H ARG 15 HN ARG 15 -11.239 -0.760 6.400 113 HA ARG 15 HA ARG 15 -12.297 -2.926 7.884 114 HB2 ARG 15 HB2 ARG 15 -13.156 -1.755 5.232 115 HB3 ARG 15 HB1 ARG 15 -14.102 -2.901 6.159 116 HG2 ARG 15 HG2 ARG 15 -14.322 -1.301 7.966 117 HG3 ARG 15 HG1 ARG 15 -13.296 -0.156 7.097 118 HD2 ARG 15 HD2 ARG 15 -14.963 -0.195 5.238 119 HD3 ARG 15 HD1 ARG 15 -16.007 -1.177 6.265 120 HE ARG 15 HE ARG 15 -15.242 1.204 7.608 121 HH11 ARG 15 HH11 ARG 15 -17.362 0.027 5.079 122 HH12 ARG 15 HH12 ARG 15 -18.521 1.296 5.274 123 HH21 ARG 15 HH21 ARG 15 -16.761 2.897 7.854 124 HH22 ARG 15 HH22 ARG 15 -18.161 2.959 6.836 125 H THR 16 HN THR 16 -11.125 -2.736 4.533 126 HA THR 16 HA THR 16 -11.637 -5.504 4.051 127 HB THR 16 HB THR 16 -11.866 -3.973 2.223 128 HG1 THR 16 HG1 THR 16 -11.272 -5.668 1.129 129 HG21 THR 16 HG21 THR 16 -8.930 -3.418 2.557 130 HG22 THR 16 HG22 THR 16 -10.254 -2.294 2.876 131 HG23 THR 16 HG23 THR 16 -9.934 -2.842 1.228 132 H LEU 17 HN LEU 17 -8.709 -3.622 4.693 133 HA LEU 17 HA LEU 17 -6.847 -5.649 4.069 134 HB2 LEU 17 HB2 LEU 17 -6.414 -3.189 4.240 135 HB3 LEU 17 HB1 LEU 17 -6.531 -3.327 5.977 136 HG LEU 17 HG LEU 17 -4.200 -3.205 4.900 137 HD11 LEU 17 HD11 LEU 17 -4.552 -3.737 7.248 138 HD12 LEU 17 HD12 LEU 17 -3.229 -4.684 6.571 139 HD13 LEU 17 HD13 LEU 17 -4.803 -5.433 6.836 140 HD21 LEU 17 HD21 LEU 17 -4.853 -6.094 4.334 141 HD22 LEU 17 HD22 LEU 17 -3.254 -5.363 4.218 142 HD23 LEU 17 HD23 LEU 17 -4.543 -4.836 3.139 143 H LYS 18 HN LYS 18 -8.858 -5.117 6.785 144 HA LYS 18 HA LYS 18 -7.306 -6.488 8.736 145 HB2 LYS 18 HB2 LYS 18 -9.141 -4.802 9.159 146 HB3 LYS 18 HB1 LYS 18 -10.291 -6.060 8.735 147 HG2 LYS 18 HG2 LYS 18 -9.481 -7.430 10.589 148 HG3 LYS 18 HG1 LYS 18 -8.325 -6.164 11.015 149 HD2 LYS 18 HD2 LYS 18 -11.332 -5.889 10.994 150 HD3 LYS 18 HD1 LYS 18 -10.320 -6.061 12.430 151 HE2 LYS 18 HE2 LYS 18 -10.130 -3.798 10.443 152 HE3 LYS 18 HE1 LYS 18 -11.001 -3.718 11.974 153 HZ1 LYS 18 HZ1 LYS 18 -8.889 -4.175 13.115 154 HZ2 LYS 18 HZ2 LYS 18 -8.840 -2.740 12.217 155 HZ3 LYS 18 HZ3 LYS 18 -8.076 -4.132 11.625 156 H SER 19 HN SER 19 -9.223 -7.526 6.107 157 HA SER 19 HA SER 19 -9.587 -10.195 7.276 158 HB2 SER 19 HB2 SER 19 -11.601 -9.210 6.308 159 HB3 SER 19 HB1 SER 19 -10.769 -8.966 4.774 160 HG SER 19 HG SER 19 -11.545 -11.396 6.002 161 HA PRO 20 HA PRO 20 -6.162 -11.188 4.491 162 HB2 PRO 20 HB2 PRO 20 -4.891 -12.899 6.110 163 HB3 PRO 20 HB1 PRO 20 -4.791 -11.154 6.364 164 HG2 PRO 20 HG2 PRO 20 -6.343 -13.198 7.860 165 HG3 PRO 20 HG1 PRO 20 -5.612 -11.693 8.439 166 HD2 PRO 20 HD2 PRO 20 -8.325 -12.112 7.756 167 HD3 PRO 20 HD1 PRO 20 -7.543 -10.559 8.105 168 H SER 21 HN SER 21 -8.752 -12.929 5.734 169 HA SER 21 HA SER 21 -8.065 -15.529 4.721 170 HB2 SER 21 HB2 SER 21 -10.899 -14.813 5.263 171 HB3 SER 21 HB1 SER 21 -9.974 -16.223 5.780 172 HG SER 21 HG SER 21 -9.294 -15.182 7.514 173 H SER 22 HN SER 22 -9.723 -12.700 3.586 174 HA SER 22 HA SER 22 -10.967 -14.152 1.382 175 HB2 SER 22 HB2 SER 22 -12.260 -12.051 1.074 176 HB3 SER 22 HB1 SER 22 -12.420 -12.708 2.703 177 HG SER 22 HG SER 22 -11.294 -11.068 3.509 178 HA PRO 23 HA PRO 23 -8.405 -12.549 -1.893 179 HB2 PRO 23 HB2 PRO 23 -10.309 -11.553 -3.620 180 HB3 PRO 23 HB1 PRO 23 -9.867 -13.260 -3.495 181 HG2 PRO 23 HG2 PRO 23 -12.164 -11.804 -2.251 182 HG3 PRO 23 HG1 PRO 23 -12.136 -13.401 -3.023 183 HD2 PRO 23 HD2 PRO 23 -12.134 -13.162 -0.363 184 HD3 PRO 23 HD1 PRO 23 -11.171 -14.418 -1.167 185 H GLN 24 HN GLN 24 -10.572 -10.563 -0.151 186 HA GLN 24 HA GLN 24 -10.372 -8.116 -1.508 187 HB2 GLN 24 HB2 GLN 24 -10.774 -8.507 1.462 188 HB3 GLN 24 HB1 GLN 24 -11.260 -7.114 0.505 189 HG2 GLN 24 HG2 GLN 24 -12.897 -8.458 -0.668 190 HG3 GLN 24 HG1 GLN 24 -12.369 -9.899 0.203 191 HE21 GLN 24 HE21 GLN 24 -12.831 -10.082 2.411 192 HE22 GLN 24 HE22 GLN 24 -14.099 -9.160 3.147 193 H GLN 25 HN GLN 25 -8.229 -9.738 0.662 194 HA GLN 25 HA GLN 25 -6.768 -7.654 1.759 195 HB2 GLN 25 HB2 GLN 25 -6.565 -10.068 2.345 196 HB3 GLN 25 HB1 GLN 25 -5.692 -10.324 0.840 197 HG2 GLN 25 HG2 GLN 25 -4.027 -8.612 1.667 198 HG3 GLN 25 HG1 GLN 25 -4.827 -8.737 3.234 199 HE21 GLN 25 HE21 GLN 25 -5.404 -11.595 2.727 200 HE22 GLN 25 HE22 GLN 25 -3.913 -12.422 3.035 201 H GLN 26 HN GLN 26 -5.889 -9.527 -1.186 202 HA GLN 26 HA GLN 26 -4.004 -7.483 -1.922 203 HB2 GLN 26 HB2 GLN 26 -3.766 -8.851 -4.040 204 HB3 GLN 26 HB1 GLN 26 -3.328 -9.645 -2.536 205 HG2 GLN 26 HG2 GLN 26 -5.330 -10.922 -2.531 206 HG3 GLN 26 HG1 GLN 26 -6.002 -9.982 -3.863 207 HE21 GLN 26 HE21 GLN 26 -2.655 -10.927 -3.824 208 HE22 GLN 26 HE22 GLN 26 -2.771 -12.113 -5.080 209 H GLN 27 HN GLN 27 -7.157 -8.554 -3.184 210 HA GLN 27 HA GLN 27 -6.934 -6.966 -5.532 211 HB2 GLN 27 HB2 GLN 27 -9.368 -8.300 -4.357 212 HB3 GLN 27 HB1 GLN 27 -9.203 -7.710 -6.008 213 HG2 GLN 27 HG2 GLN 27 -7.419 -9.311 -6.418 214 HG3 GLN 27 HG1 GLN 27 -7.537 -9.885 -4.757 215 HE21 GLN 27 HE21 GLN 27 -7.825 -11.368 -7.198 216 HE22 GLN 27 HE22 GLN 27 -9.406 -12.077 -7.153 217 H GLN 28 HN GLN 28 -9.058 -6.607 -2.674 218 HA GLN 28 HA GLN 28 -10.207 -4.196 -3.695 219 HB2 GLN 28 HB2 GLN 28 -11.541 -5.564 -2.251 220 HB3 GLN 28 HB1 GLN 28 -10.331 -5.502 -0.980 221 HG2 GLN 28 HG2 GLN 28 -10.818 -3.249 -0.489 222 HG3 GLN 28 HG1 GLN 28 -11.763 -3.054 -1.965 223 HE21 GLN 28 HE21 GLN 28 -13.476 -2.286 -0.642 224 HE22 GLN 28 HE22 GLN 28 -14.477 -3.395 0.226 225 H VAL 29 HN VAL 29 -7.772 -4.910 -1.230 226 HA VAL 29 HA VAL 29 -7.264 -2.280 -0.434 227 HB VAL 29 HB VAL 29 -5.441 -4.683 -0.555 228 HG11 VAL 29 HG11 VAL 29 -4.886 -2.067 0.838 229 HG12 VAL 29 HG12 VAL 29 -4.119 -2.583 -0.665 230 HG13 VAL 29 HG13 VAL 29 -3.854 -3.500 0.823 231 HG21 VAL 29 HG21 VAL 29 -6.852 -3.315 1.733 232 HG22 VAL 29 HG22 VAL 29 -5.809 -4.732 1.861 233 HG23 VAL 29 HG23 VAL 29 -7.334 -4.836 0.982 234 H LEU 30 HN LEU 30 -6.006 -4.146 -3.168 235 HA LEU 30 HA LEU 30 -4.069 -2.353 -4.079 236 HB2 LEU 30 HB2 LEU 30 -4.429 -4.675 -4.903 237 HB3 LEU 30 HB1 LEU 30 -5.842 -4.112 -5.774 238 HG LEU 30 HG LEU 30 -4.311 -2.550 -7.037 239 HD11 LEU 30 HD11 LEU 30 -2.467 -2.578 -5.418 240 HD12 LEU 30 HD12 LEU 30 -1.935 -3.053 -7.032 241 HD13 LEU 30 HD13 LEU 30 -2.179 -4.279 -5.787 242 HD21 LEU 30 HD21 LEU 30 -3.770 -5.508 -7.290 243 HD22 LEU 30 HD22 LEU 30 -3.528 -4.290 -8.541 244 HD23 LEU 30 HD23 LEU 30 -5.155 -4.657 -7.974 245 H ASN 31 HN ASN 31 -7.545 -2.434 -4.607 246 HA ASN 31 HA ASN 31 -7.679 -0.350 -6.509 247 HB2 ASN 31 HB2 ASN 31 -9.604 -1.729 -6.289 248 HB3 ASN 31 HB1 ASN 31 -9.671 -1.492 -4.548 249 HD21 ASN 31 HD21 ASN 31 -10.687 0.295 -3.724 250 HD22 ASN 31 HD22 ASN 31 -11.600 1.397 -4.692 251 H ILE 32 HN ILE 32 -7.728 -0.396 -2.988 252 HA ILE 32 HA ILE 32 -8.190 2.408 -2.700 253 HB ILE 32 HB ILE 32 -7.125 0.376 -0.743 254 HG12 ILE 32 HG12 ILE 32 -9.880 1.603 -0.959 255 HG13 ILE 32 HG11 ILE 32 -9.448 0.059 -1.682 256 HG21 ILE 32 HG21 ILE 32 -6.434 2.615 -0.094 257 HG22 ILE 32 HG22 ILE 32 -7.702 2.031 0.986 258 HG23 ILE 32 HG23 ILE 32 -8.088 3.200 -0.276 259 HD11 ILE 32 HD11 ILE 32 -8.976 -0.859 0.503 260 HD12 ILE 32 HD12 ILE 32 -10.610 -0.198 0.444 261 HD13 ILE 32 HD13 ILE 32 -9.326 0.700 1.250 262 H LEU 33 HN LEU 33 -5.375 0.365 -2.966 263 HA LEU 33 HA LEU 33 -3.340 2.046 -2.162 264 HB2 LEU 33 HB2 LEU 33 -3.584 -0.222 -3.994 265 HB3 LEU 33 HB1 LEU 33 -2.299 0.877 -4.444 266 HG LEU 33 HG LEU 33 -1.220 -0.742 -3.175 267 HD11 LEU 33 HD11 LEU 33 -0.803 1.597 -2.304 268 HD12 LEU 33 HD12 LEU 33 -0.408 0.272 -1.210 269 HD13 LEU 33 HD13 LEU 33 -1.893 1.188 -0.980 270 HD21 LEU 33 HD21 LEU 33 -3.218 -1.897 -2.420 271 HD22 LEU 33 HD22 LEU 33 -3.463 -0.662 -1.184 272 HD23 LEU 33 HD23 LEU 33 -2.041 -1.703 -1.122 273 H LYS 34 HN LYS 34 -5.291 2.178 -5.064 274 HA LYS 34 HA LYS 34 -3.679 3.970 -6.552 275 HB2 LYS 34 HB2 LYS 34 -5.349 2.582 -7.630 276 HB3 LYS 34 HB1 LYS 34 -6.633 3.346 -6.701 277 HG2 LYS 34 HG2 LYS 34 -5.903 5.523 -7.821 278 HG3 LYS 34 HG1 LYS 34 -4.996 4.499 -8.934 279 HD2 LYS 34 HD2 LYS 34 -7.026 3.372 -9.606 280 HD3 LYS 34 HD1 LYS 34 -7.954 4.273 -8.404 281 HE2 LYS 34 HE2 LYS 34 -7.277 6.374 -9.566 282 HE3 LYS 34 HE1 LYS 34 -6.554 5.380 -10.832 283 HZ1 LYS 34 HZ1 LYS 34 -9.415 5.383 -10.035 284 HZ2 LYS 34 HZ2 LYS 34 -8.731 4.396 -11.232 285 HZ3 LYS 34 HZ3 LYS 34 -8.769 6.080 -11.442 286 H SER 35 HN SER 35 -5.874 4.544 -3.900 287 HA SER 35 HA SER 35 -6.728 7.116 -4.890 288 HB2 SER 35 HB2 SER 35 -7.251 5.817 -2.214 289 HB3 SER 35 HB1 SER 35 -8.088 7.224 -2.871 290 HG SER 35 HG SER 35 -8.058 5.087 -4.579 291 H ASN 36 HN ASN 36 -4.140 6.076 -2.856 292 HA ASN 36 HA ASN 36 -3.084 8.641 -2.373 293 HB2 ASN 36 HB2 ASN 36 -5.157 8.714 -0.860 294 HB3 ASN 36 HB1 ASN 36 -4.347 7.492 0.120 295 HD21 ASN 36 HD21 ASN 36 -4.060 8.750 1.923 296 HD22 ASN 36 HD22 ASN 36 -3.021 10.129 1.970 297 HA PRO 37 HA PRO 37 -0.985 4.679 -0.035 298 HB2 PRO 37 HB2 PRO 37 -2.805 2.987 -1.697 299 HB3 PRO 37 HB1 PRO 37 -1.942 2.581 -0.207 300 HG2 PRO 37 HG2 PRO 37 -4.477 3.212 -0.055 301 HG3 PRO 37 HG1 PRO 37 -3.340 3.923 1.111 302 HD2 PRO 37 HD2 PRO 37 -4.620 5.152 -1.282 303 HD3 PRO 37 HD1 PRO 37 -4.251 5.876 0.294 304 H GLN 38 HN GLN 38 -1.514 5.991 -3.020 305 HA GLN 38 HA GLN 38 -0.432 4.497 -5.029 306 HB2 GLN 38 HB2 GLN 38 -0.172 7.447 -4.492 307 HB3 GLN 38 HB1 GLN 38 0.428 6.699 -5.964 308 HG2 GLN 38 HG2 GLN 38 -1.876 5.848 -6.376 309 HG3 GLN 38 HG1 GLN 38 -2.412 6.814 -5.002 310 HE21 GLN 38 HE21 GLN 38 -2.454 9.049 -5.170 311 HE22 GLN 38 HE22 GLN 38 -2.340 9.860 -6.696 312 H LEU 39 HN LEU 39 1.355 5.642 -2.305 313 HA LEU 39 HA LEU 39 3.970 5.432 -3.118 314 HB2 LEU 39 HB2 LEU 39 3.295 5.635 -0.755 315 HB3 LEU 39 HB1 LEU 39 2.719 3.964 -0.789 316 HG LEU 39 HG LEU 39 5.342 3.810 -1.698 317 HD11 LEU 39 HD11 LEU 39 5.814 6.057 -0.993 318 HD12 LEU 39 HD12 LEU 39 6.656 4.908 0.048 319 HD13 LEU 39 HD13 LEU 39 5.194 5.712 0.623 320 HD21 LEU 39 HD21 LEU 39 4.241 2.186 -0.321 321 HD22 LEU 39 HD22 LEU 39 4.213 3.309 1.042 322 HD23 LEU 39 HD23 LEU 39 5.751 2.690 0.437 323 H MET 40 HN MET 40 1.511 2.934 -3.028 324 HA MET 40 HA MET 40 2.945 0.595 -3.398 325 HB2 MET 40 HB2 MET 40 0.982 -0.244 -4.607 326 HB3 MET 40 HB1 MET 40 0.536 0.650 -3.174 327 HG2 MET 40 HG2 MET 40 -0.972 1.543 -4.572 328 HG3 MET 40 HG1 MET 40 0.362 2.640 -4.913 329 HE1 MET 40 HE1 MET 40 -2.236 0.275 -6.299 330 HE2 MET 40 HE2 MET 40 -0.977 -0.926 -6.000 331 HE3 MET 40 HE3 MET 40 -1.456 -0.542 -7.654 332 H ALA 41 HN ALA 41 2.256 3.160 -5.610 333 HA ALA 41 HA ALA 41 3.052 1.993 -8.008 334 HB1 ALA 41 HB1 ALA 41 3.825 4.809 -7.346 335 HB2 ALA 41 HB2 ALA 41 2.123 4.361 -7.516 336 HB3 ALA 41 HB3 ALA 41 3.241 4.140 -8.875 337 H ALA 42 HN ALA 42 5.050 3.542 -5.480 338 HA ALA 42 HA ALA 42 7.525 2.756 -6.708 339 HB1 ALA 42 HB1 ALA 42 7.444 4.685 -5.219 340 HB2 ALA 42 HB2 ALA 42 8.553 3.464 -4.596 341 HB3 ALA 42 HB3 ALA 42 6.950 3.649 -3.883 342 H PHE 43 HN PHE 43 5.501 1.580 -4.092 343 HA PHE 43 HA PHE 43 7.057 -0.440 -3.039 344 HB2 PHE 43 HB2 PHE 43 5.143 0.134 -1.851 345 HB3 PHE 43 HB1 PHE 43 4.106 0.015 -3.259 346 HD1 PHE 43 HD2 PHE 43 6.468 -2.554 -1.928 347 HD2 PHE 43 HD1 PHE 43 2.420 -1.385 -2.567 348 HE1 PHE 43 HE2 PHE 43 5.714 -4.768 -1.182 349 HE2 PHE 43 HE1 PHE 43 1.657 -3.602 -1.813 350 HZ PHE 43 HZ PHE 43 3.309 -5.296 -1.121 351 H ILE 44 HN ILE 44 4.718 -0.729 -5.706 352 HA ILE 44 HA ILE 44 5.190 -3.528 -6.037 353 HB ILE 44 HB ILE 44 3.873 -1.573 -7.937 354 HG12 ILE 44 HG12 ILE 44 2.633 -3.495 -5.954 355 HG13 ILE 44 HG11 ILE 44 2.835 -1.771 -5.667 356 HG21 ILE 44 HG21 ILE 44 2.866 -3.545 -8.964 357 HG22 ILE 44 HG22 ILE 44 3.756 -4.589 -7.857 358 HG23 ILE 44 HG23 ILE 44 4.625 -3.627 -9.053 359 HD11 ILE 44 HD11 ILE 44 1.383 -1.307 -7.586 360 HD12 ILE 44 HD12 ILE 44 0.573 -2.252 -6.338 361 HD13 ILE 44 HD13 ILE 44 1.148 -3.038 -7.811 362 H LYS 45 HN LYS 45 6.485 -0.609 -7.465 363 HA LYS 45 HA LYS 45 7.868 -1.875 -9.598 364 HB2 LYS 45 HB2 LYS 45 7.229 0.563 -9.426 365 HB3 LYS 45 HB1 LYS 45 8.526 0.750 -8.254 366 HG2 LYS 45 HG2 LYS 45 9.333 1.484 -10.351 367 HG3 LYS 45 HG1 LYS 45 10.112 -0.056 -9.993 368 HD2 LYS 45 HD2 LYS 45 9.515 -0.284 -12.226 369 HD3 LYS 45 HD1 LYS 45 8.193 -1.088 -11.381 370 HE2 LYS 45 HE2 LYS 45 8.125 1.770 -12.343 371 HE3 LYS 45 HE1 LYS 45 7.456 0.406 -13.233 372 HZ1 LYS 45 HZ1 LYS 45 6.533 1.564 -10.671 373 HZ2 LYS 45 HZ2 LYS 45 6.062 0.011 -11.167 374 HZ3 LYS 45 HZ3 LYS 45 5.669 1.357 -12.117 375 H GLN 46 HN GLN 46 8.843 -0.734 -6.378 376 HA GLN 46 HA GLN 46 11.588 -1.553 -6.769 377 HB2 GLN 46 HB2 GLN 46 11.044 0.530 -5.617 378 HB3 GLN 46 HB1 GLN 46 10.165 -0.358 -4.386 379 HG2 GLN 46 HG2 GLN 46 12.207 -1.390 -3.623 380 HG3 GLN 46 HG1 GLN 46 13.116 -0.597 -4.911 381 HE21 GLN 46 HE21 GLN 46 11.433 -0.167 -1.892 382 HE22 GLN 46 HE22 GLN 46 12.055 1.416 -1.550 383 H ARG 47 HN ARG 47 8.912 -2.513 -4.635 384 HA ARG 47 HA ARG 47 10.517 -4.748 -3.619 385 HB2 ARG 47 HB2 ARG 47 9.460 -3.395 -1.916 386 HB3 ARG 47 HB1 ARG 47 7.896 -3.543 -2.702 387 HG2 ARG 47 HG2 ARG 47 8.067 -4.946 -0.702 388 HG3 ARG 47 HG1 ARG 47 7.815 -5.906 -2.161 389 HD2 ARG 47 HD2 ARG 47 9.494 -6.869 -0.622 390 HD3 ARG 47 HD1 ARG 47 10.135 -6.516 -2.225 391 HE ARG 47 HE ARG 47 10.522 -4.495 -0.154 392 HH11 ARG 47 HH11 ARG 47 11.845 -7.128 -2.034 393 HH12 ARG 47 HH12 ARG 47 13.495 -6.688 -1.742 394 HH21 ARG 47 HH21 ARG 47 12.702 -3.910 0.251 395 HH22 ARG 47 HH22 ARG 47 13.986 -4.880 -0.409 396 H THR 48 HN THR 48 7.293 -4.097 -4.933 397 HA THR 48 HA THR 48 6.072 -5.235 -6.486 398 HB THR 48 HB THR 48 8.224 -7.361 -6.422 399 HG1 THR 48 HG1 THR 48 7.920 -4.943 -7.801 400 HG21 THR 48 HG21 THR 48 7.237 -8.121 -8.517 401 HG22 THR 48 HG22 THR 48 5.989 -6.878 -8.395 402 HG23 THR 48 HG23 THR 48 6.053 -8.186 -7.212 403 H ALA 49 HN ALA 49 4.238 -6.149 -5.950 404 HA ALA 49 HA ALA 49 4.207 -8.121 -3.772 405 HB1 ALA 49 HB1 ALA 49 2.981 -6.063 -3.290 406 HB2 ALA 49 HB2 ALA 49 1.898 -7.449 -3.377 407 HB3 ALA 49 HB3 ALA 49 1.987 -6.316 -4.724 408 H LYS 50 HN LYS 50 4.913 -9.139 -6.163 409 HA LYS 50 HA LYS 50 2.628 -10.800 -6.839 410 HB2 LYS 50 HB2 LYS 50 2.458 -8.995 -8.468 411 HB3 LYS 50 HB1 LYS 50 4.142 -9.217 -8.924 412 HG2 LYS 50 HG2 LYS 50 3.642 -11.416 -9.808 413 HG3 LYS 50 HG1 LYS 50 1.963 -11.268 -9.286 414 HD2 LYS 50 HD2 LYS 50 1.659 -9.367 -10.782 415 HD3 LYS 50 HD1 LYS 50 3.343 -9.489 -11.293 416 HE2 LYS 50 HE2 LYS 50 1.806 -10.522 -12.908 417 HE3 LYS 50 HE1 LYS 50 2.936 -11.686 -12.221 418 HZ1 LYS 50 HZ1 LYS 50 0.212 -11.321 -11.120 419 HZ2 LYS 50 HZ2 LYS 50 1.270 -12.632 -10.904 420 HZ3 LYS 50 HZ3 LYS 50 0.522 -12.378 -12.409 421 H TYR 51 HN TYR 51 5.867 -10.145 -8.202 422 HA TYR 51 HA TYR 51 6.526 -12.845 -8.609 423 HB2 TYR 51 HB2 TYR 51 8.395 -10.506 -8.149 424 HB3 TYR 51 HB1 TYR 51 8.851 -12.059 -8.833 425 HD1 TYR 51 HD2 TYR 51 7.039 -8.927 -9.433 426 HD2 TYR 51 HD1 TYR 51 8.387 -12.572 -11.145 427 HE1 TYR 51 HE2 TYR 51 6.559 -8.043 -11.666 428 HE2 TYR 51 HE1 TYR 51 7.918 -11.691 -13.396 429 HH TYR 51 HH TYR 51 6.480 -9.964 -14.449 430 H VAL 52 HN VAL 52 7.638 -14.323 -7.360 431 HA VAL 52 HA VAL 52 7.488 -13.838 -4.502 432 HB VAL 52 HB VAL 52 8.107 -16.254 -4.295 433 HG11 VAL 52 HG11 VAL 52 5.728 -15.609 -6.031 434 HG12 VAL 52 HG12 VAL 52 5.786 -15.533 -4.272 435 HG13 VAL 52 HG13 VAL 52 5.940 -17.087 -5.091 436 HG21 VAL 52 HG21 VAL 52 8.000 -17.659 -6.307 437 HG22 VAL 52 HG22 VAL 52 9.340 -16.515 -6.384 438 HG23 VAL 52 HG23 VAL 52 7.868 -16.211 -7.305 439 H ALA 53 HN ALA 53 9.363 -12.212 -5.472 440 HA ALA 53 HA ALA 53 11.988 -13.274 -5.553 441 HB1 ALA 53 HB1 ALA 53 11.410 -11.112 -6.549 442 HB2 ALA 53 HB2 ALA 53 12.734 -10.962 -5.394 443 HB3 ALA 53 HB3 ALA 53 11.106 -10.455 -4.942 444 H ASN 54 HN ASN 54 9.858 -12.395 -2.972 445 HA ASN 54 HA ASN 54 11.838 -12.156 -0.930 446 HB2 ASN 54 HB2 ASN 54 9.600 -11.218 -0.638 447 HB3 ASN 54 HB1 ASN 54 8.892 -12.824 -0.747 448 HD21 ASN 54 HD21 ASN 54 10.685 -10.606 1.220 449 HD22 ASN 54 HD22 ASN 54 10.519 -11.481 2.711 450 H GLN 55 HN GLN 55 10.146 -14.806 -2.412 451 HA GLN 55 HA GLN 55 10.694 -16.688 -0.315 452 HB2 GLN 55 HB2 GLN 55 8.682 -16.874 -1.712 453 HB3 GLN 55 HB1 GLN 55 9.690 -17.125 -3.132 454 HG2 GLN 55 HG2 GLN 55 10.539 -19.193 -2.176 455 HG3 GLN 55 HG1 GLN 55 9.560 -18.936 -0.734 456 HE21 GLN 55 HE21 GLN 55 8.436 -20.826 -0.999 457 HE22 GLN 55 HE22 GLN 55 7.259 -21.052 -2.241 458 HA PRO 56 HA PRO 56 14.659 -17.751 -2.061 459 HB2 PRO 56 HB2 PRO 56 15.600 -18.988 0.140 460 HB3 PRO 56 HB1 PRO 56 15.462 -17.230 0.030 461 HG2 PRO 56 HG2 PRO 56 13.852 -19.140 1.591 462 HG3 PRO 56 HG1 PRO 56 14.077 -17.401 1.830 463 HD2 PRO 56 HD2 PRO 56 11.873 -18.763 0.572 464 HD3 PRO 56 HD1 PRO 56 12.072 -17.024 0.859 465 H GLY 57 HN GLY 57 15.289 -19.469 -3.224 466 HA2 GLY 57 HA2 GLY 57 13.850 -22.003 -2.872 467 HA3 GLY 57 HA1 GLY 57 14.848 -21.556 -4.253 468 H MET 58 HN MET 58 15.434 -21.614 -0.760 469 HA MET 58 HA MET 58 18.092 -22.650 -1.279 470 HB2 MET 58 HB2 MET 58 16.764 -21.636 1.232 471 HB3 MET 58 HB1 MET 58 18.410 -22.250 1.178 472 HG2 MET 58 HG2 MET 58 19.055 -20.490 -0.344 473 HG3 MET 58 HG1 MET 58 17.392 -19.902 -0.402 474 HE1 MET 58 HE1 MET 58 19.863 -19.882 3.495 475 HE2 MET 58 HE2 MET 58 20.464 -20.571 1.986 476 HE3 MET 58 HE3 MET 58 19.098 -21.316 2.813 477 H GLN 59 HN GLN 59 18.510 -24.691 -1.275 478 HA GLN 59 HA GLN 59 18.539 -26.325 0.857 479 HB2 GLN 59 HB2 GLN 59 16.028 -26.393 0.778 480 HB3 GLN 59 HB1 GLN 59 16.147 -27.138 -0.811 481 HG2 GLN 59 HG2 GLN 59 17.226 -29.066 0.086 482 HG3 GLN 59 HG1 GLN 59 17.384 -28.310 1.668 483 HE21 GLN 59 HE21 GLN 59 14.509 -28.089 -0.319 484 HE22 GLN 59 HE22 GLN 59 13.505 -29.057 0.706 Start of MODEL 5 1 H2 PRO 1 HT1 PRO 1 -1.103 22.182 -3.540 2 H3 PRO 1 HT2 PRO 1 -1.916 23.547 -3.149 3 HA PRO 1 HA PRO 1 -3.684 22.535 -3.662 4 HB2 PRO 1 HB2 PRO 1 -3.332 22.140 -6.495 5 HB3 PRO 1 HB1 PRO 1 -4.327 23.342 -5.659 6 HG2 PRO 1 HG2 PRO 1 -2.058 23.963 -7.053 7 HG3 PRO 1 HG1 PRO 1 -2.684 24.925 -5.703 8 HD2 PRO 1 HD2 PRO 1 -0.476 22.890 -5.719 9 HD3 PRO 1 HD1 PRO 1 -0.538 24.468 -4.914 10 H ASN 2 HN ASN 2 -4.716 20.536 -4.226 11 HA ASN 2 HA ASN 2 -4.843 18.264 -4.252 12 HB2 ASN 2 HB2 ASN 2 -2.458 18.603 -6.086 13 HB3 ASN 2 HB1 ASN 2 -3.281 17.068 -5.826 14 HD21 ASN 2 HD21 ASN 2 -5.342 16.771 -6.655 15 HD22 ASN 2 HD22 ASN 2 -6.013 17.819 -7.859 16 H ARG 3 HN ARG 3 -2.591 16.402 -4.452 17 HA ARG 3 HA ARG 3 -0.844 15.479 -3.315 18 HB2 ARG 3 HB2 ARG 3 0.058 17.842 -3.207 19 HB3 ARG 3 HB1 ARG 3 -0.705 17.984 -1.631 20 HG2 ARG 3 HG2 ARG 3 1.482 17.451 -1.113 21 HG3 ARG 3 HG1 ARG 3 0.667 15.892 -1.020 22 HD2 ARG 3 HD2 ARG 3 2.105 16.867 -3.477 23 HD3 ARG 3 HD1 ARG 3 2.884 15.913 -2.217 24 HE ARG 3 HE ARG 3 1.024 14.232 -2.756 25 HH11 ARG 3 HH11 ARG 3 2.525 16.374 -5.097 26 HH12 ARG 3 HH12 ARG 3 2.263 15.292 -6.436 27 HH21 ARG 3 HH21 ARG 3 0.744 12.795 -4.513 28 HH22 ARG 3 HH22 ARG 3 1.315 13.236 -6.093 29 H SER 4 HN SER 4 -3.249 17.178 -1.396 30 HA SER 4 HA SER 4 -3.044 15.613 0.937 31 HB2 SER 4 HB2 SER 4 -4.196 17.833 0.778 32 HB3 SER 4 HB1 SER 4 -5.501 17.044 -0.107 33 HG SER 4 HG SER 4 -4.693 16.669 2.580 34 H ILE 5 HN ILE 5 -3.768 13.646 1.419 35 HA ILE 5 HA ILE 5 -5.065 12.137 -0.720 36 HB ILE 5 HB ILE 5 -4.486 10.137 0.636 37 HG12 ILE 5 HG12 ILE 5 -3.024 12.142 2.372 38 HG13 ILE 5 HG11 ILE 5 -4.455 11.235 2.849 39 HG21 ILE 5 HG21 ILE 5 -3.022 10.867 -1.144 40 HG22 ILE 5 HG22 ILE 5 -2.062 10.260 0.205 41 HG23 ILE 5 HG23 ILE 5 -2.217 11.999 -0.056 42 HD11 ILE 5 HD11 ILE 5 -1.765 10.062 2.175 43 HD12 ILE 5 HD12 ILE 5 -3.197 9.152 2.658 44 HD13 ILE 5 HD13 ILE 5 -2.438 10.269 3.791 45 H SER 6 HN SER 6 -6.884 10.854 -0.396 46 HA SER 6 HA SER 6 -8.807 11.927 1.444 47 HB2 SER 6 HB2 SER 6 -9.517 11.302 -0.802 48 HB3 SER 6 HB1 SER 6 -8.978 9.645 -0.543 49 HG SER 6 HG SER 6 -11.259 9.943 -0.256 50 HA PRO 7 HA PRO 7 -7.761 8.935 4.622 51 HB2 PRO 7 HB2 PRO 7 -9.587 9.824 6.430 52 HB3 PRO 7 HB1 PRO 7 -8.033 10.618 6.158 53 HG2 PRO 7 HG2 PRO 7 -10.741 11.344 5.120 54 HG3 PRO 7 HG1 PRO 7 -9.457 12.399 5.741 55 HD2 PRO 7 HD2 PRO 7 -9.926 12.056 3.091 56 HD3 PRO 7 HD1 PRO 7 -8.311 12.388 3.744 57 H SER 8 HN SER 8 -10.874 9.572 3.184 58 HA SER 8 HA SER 8 -12.319 7.445 4.363 59 HB2 SER 8 HB2 SER 8 -13.344 9.386 3.143 60 HB3 SER 8 HB1 SER 8 -12.773 8.681 1.633 61 HG SER 8 HG SER 8 -14.382 7.203 3.438 62 H ALA 9 HN ALA 9 -10.310 7.713 1.474 63 HA ALA 9 HA ALA 9 -10.759 5.127 0.453 64 HB1 ALA 9 HB1 ALA 9 -8.662 5.459 -0.783 65 HB2 ALA 9 HB2 ALA 9 -8.312 6.879 0.205 66 HB3 ALA 9 HB3 ALA 9 -9.708 6.876 -0.876 67 H LEU 10 HN LEU 10 -8.485 6.398 2.816 68 HA LEU 10 HA LEU 10 -7.026 3.990 3.183 69 HB2 LEU 10 HB2 LEU 10 -7.381 6.375 5.006 70 HB3 LEU 10 HB1 LEU 10 -6.238 5.076 5.281 71 HG LEU 10 HG LEU 10 -6.199 6.933 2.903 72 HD11 LEU 10 HD11 LEU 10 -4.469 6.878 5.372 73 HD12 LEU 10 HD12 LEU 10 -5.660 8.112 4.956 74 HD13 LEU 10 HD13 LEU 10 -4.221 7.906 3.960 75 HD21 LEU 10 HD21 LEU 10 -3.967 5.956 2.523 76 HD22 LEU 10 HD22 LEU 10 -5.264 4.771 2.369 77 HD23 LEU 10 HD23 LEU 10 -4.270 4.804 3.824 78 H GLN 11 HN GLN 11 -9.789 5.457 4.838 79 HA GLN 11 HA GLN 11 -9.975 3.563 6.906 80 HB2 GLN 11 HB2 GLN 11 -11.974 5.456 5.703 81 HB3 GLN 11 HB1 GLN 11 -12.423 4.342 6.987 82 HG2 GLN 11 HG2 GLN 11 -10.644 5.317 8.396 83 HG3 GLN 11 HG1 GLN 11 -10.325 6.490 7.119 84 HE21 GLN 11 HE21 GLN 11 -12.589 5.436 9.548 85 HE22 GLN 11 HE22 GLN 11 -13.553 6.877 9.558 86 H ASP 12 HN ASP 12 -11.501 3.670 3.697 87 HA ASP 12 HA ASP 12 -13.009 1.281 4.100 88 HB2 ASP 12 HB2 ASP 12 -13.465 3.062 2.352 89 HB3 ASP 12 HB1 ASP 12 -12.112 2.399 1.439 90 H LEU 13 HN LEU 13 -9.798 2.004 3.049 91 HA LEU 13 HA LEU 13 -9.129 -0.484 1.885 92 HB2 LEU 13 HB2 LEU 13 -7.838 1.560 1.503 93 HB3 LEU 13 HB1 LEU 13 -7.378 1.600 3.193 94 HG LEU 13 HG LEU 13 -6.181 -0.573 2.855 95 HD11 LEU 13 HD11 LEU 13 -6.780 -0.004 -0.046 96 HD12 LEU 13 HD12 LEU 13 -7.393 -1.356 0.905 97 HD13 LEU 13 HD13 LEU 13 -5.671 -1.237 0.550 98 HD21 LEU 13 HD21 LEU 13 -5.312 1.753 1.140 99 HD22 LEU 13 HD22 LEU 13 -4.279 0.432 1.686 100 HD23 LEU 13 HD23 LEU 13 -4.986 1.541 2.861 101 H LEU 14 HN LEU 14 -8.535 0.853 5.137 102 HA LEU 14 HA LEU 14 -7.382 -1.526 6.163 103 HB2 LEU 14 HB2 LEU 14 -7.461 -0.474 8.288 104 HB3 LEU 14 HB1 LEU 14 -7.165 0.790 7.117 105 HG LEU 14 HG LEU 14 -9.824 1.021 7.283 106 HD11 LEU 14 HD11 LEU 14 -10.061 -0.773 8.930 107 HD12 LEU 14 HD12 LEU 14 -10.542 0.784 9.600 108 HD13 LEU 14 HD13 LEU 14 -8.980 0.088 10.025 109 HD21 LEU 14 HD21 LEU 14 -7.857 2.214 9.229 110 HD22 LEU 14 HD22 LEU 14 -9.439 2.873 8.813 111 HD23 LEU 14 HD23 LEU 14 -8.169 2.793 7.593 112 H ARG 15 HN ARG 15 -10.579 -0.242 5.951 113 HA ARG 15 HA ARG 15 -12.005 -1.917 7.618 114 HB2 ARG 15 HB2 ARG 15 -13.135 -0.065 6.822 115 HB3 ARG 15 HB1 ARG 15 -12.573 -0.304 5.175 116 HG2 ARG 15 HG2 ARG 15 -14.849 -0.749 5.152 117 HG3 ARG 15 HG1 ARG 15 -14.042 -2.316 5.106 118 HD2 ARG 15 HD2 ARG 15 -14.362 -2.482 7.574 119 HD3 ARG 15 HD1 ARG 15 -15.315 -1.001 7.499 120 HE ARG 15 HE ARG 15 -16.260 -3.039 5.709 121 HH11 ARG 15 HH11 ARG 15 -16.378 -1.814 8.997 122 HH12 ARG 15 HH12 ARG 15 -17.897 -2.583 9.367 123 HH21 ARG 15 HH21 ARG 15 -18.249 -4.055 6.187 124 HH22 ARG 15 HH22 ARG 15 -18.965 -3.859 7.764 125 H THR 16 HN THR 16 -11.291 -2.321 4.138 126 HA THR 16 HA THR 16 -12.566 -4.857 3.978 127 HB THR 16 HB THR 16 -12.104 -3.274 2.027 128 HG1 THR 16 HG1 THR 16 -11.550 -6.064 1.897 129 HG21 THR 16 HG21 THR 16 -9.433 -4.666 2.103 130 HG22 THR 16 HG22 THR 16 -9.711 -2.948 2.393 131 HG23 THR 16 HG23 THR 16 -10.026 -3.635 0.799 132 H LEU 17 HN LEU 17 -9.298 -3.786 4.617 133 HA LEU 17 HA LEU 17 -8.002 -6.281 4.361 134 HB2 LEU 17 HB2 LEU 17 -6.916 -4.035 4.306 135 HB3 LEU 17 HB1 LEU 17 -7.178 -3.905 6.032 136 HG LEU 17 HG LEU 17 -5.655 -6.273 5.066 137 HD11 LEU 17 HD11 LEU 17 -4.507 -3.486 5.179 138 HD12 LEU 17 HD12 LEU 17 -4.702 -4.473 3.731 139 HD13 LEU 17 HD13 LEU 17 -3.579 -4.974 4.993 140 HD21 LEU 17 HD21 LEU 17 -6.122 -5.973 7.440 141 HD22 LEU 17 HD22 LEU 17 -5.352 -4.386 7.403 142 HD23 LEU 17 HD23 LEU 17 -4.392 -5.839 7.121 143 H LYS 18 HN LYS 18 -10.009 -4.988 6.835 144 HA LYS 18 HA LYS 18 -9.001 -6.513 9.011 145 HB2 LYS 18 HB2 LYS 18 -11.740 -5.312 8.585 146 HB3 LYS 18 HB1 LYS 18 -11.183 -6.017 10.095 147 HG2 LYS 18 HG2 LYS 18 -10.051 -3.589 8.722 148 HG3 LYS 18 HG1 LYS 18 -11.032 -3.614 10.187 149 HD2 LYS 18 HD2 LYS 18 -9.298 -4.744 11.402 150 HD3 LYS 18 HD1 LYS 18 -8.340 -4.955 9.934 151 HE2 LYS 18 HE2 LYS 18 -8.136 -2.507 9.749 152 HE3 LYS 18 HE1 LYS 18 -9.054 -2.331 11.241 153 HZ1 LYS 18 HZ1 LYS 18 -6.624 -2.174 11.540 154 HZ2 LYS 18 HZ2 LYS 18 -6.474 -3.787 11.036 155 HZ3 LYS 18 HZ3 LYS 18 -7.326 -3.421 12.453 156 H SER 19 HN SER 19 -10.645 -7.417 6.228 157 HA SER 19 HA SER 19 -11.555 -9.918 7.465 158 HB2 SER 19 HB2 SER 19 -13.141 -8.747 5.935 159 HB3 SER 19 HB1 SER 19 -11.970 -8.913 4.629 160 HG SER 19 HG SER 19 -12.216 -11.315 5.511 161 HA PRO 20 HA PRO 20 -7.472 -11.122 5.929 162 HB2 PRO 20 HB2 PRO 20 -7.533 -13.286 7.834 163 HB3 PRO 20 HB1 PRO 20 -6.558 -11.818 7.881 164 HG2 PRO 20 HG2 PRO 20 -8.585 -12.379 9.644 165 HG3 PRO 20 HG1 PRO 20 -8.027 -10.741 9.257 166 HD2 PRO 20 HD2 PRO 20 -10.416 -12.224 8.227 167 HD3 PRO 20 HD1 PRO 20 -10.254 -10.511 8.671 168 H SER 21 HN SER 21 -8.548 -11.793 3.976 169 HA SER 21 HA SER 21 -8.479 -14.691 3.728 170 HB2 SER 21 HB2 SER 21 -10.783 -13.019 2.687 171 HB3 SER 21 HB1 SER 21 -10.566 -14.754 2.443 172 HG SER 21 HG SER 21 -10.379 -14.415 5.014 173 H SER 22 HN SER 22 -7.951 -15.400 1.643 174 HA SER 22 HA SER 22 -5.950 -14.025 0.414 175 HB2 SER 22 HB2 SER 22 -6.331 -16.415 0.095 176 HB3 SER 22 HB1 SER 22 -7.775 -16.070 -0.860 177 HG SER 22 HG SER 22 -5.249 -16.234 -1.688 178 HA PRO 23 HA PRO 23 -8.798 -12.529 -3.228 179 HB2 PRO 23 HB2 PRO 23 -11.466 -12.251 -2.617 180 HB3 PRO 23 HB1 PRO 23 -10.773 -13.639 -3.462 181 HG2 PRO 23 HG2 PRO 23 -11.475 -13.336 -0.569 182 HG3 PRO 23 HG1 PRO 23 -11.731 -14.724 -1.646 183 HD2 PRO 23 HD2 PRO 23 -9.714 -14.676 0.120 184 HD3 PRO 23 HD1 PRO 23 -9.525 -15.416 -1.482 185 H GLN 24 HN GLN 24 -9.942 -11.713 0.040 186 HA GLN 24 HA GLN 24 -10.600 -9.021 -0.570 187 HB2 GLN 24 HB2 GLN 24 -10.006 -10.397 2.055 188 HB3 GLN 24 HB1 GLN 24 -10.557 -8.731 1.934 189 HG2 GLN 24 HG2 GLN 24 -12.078 -11.098 0.860 190 HG3 GLN 24 HG1 GLN 24 -12.348 -10.375 2.446 191 HE21 GLN 24 HE21 GLN 24 -14.123 -10.625 0.113 192 HE22 GLN 24 HE22 GLN 24 -14.631 -9.009 -0.257 193 H GLN 25 HN GLN 25 -7.688 -10.620 0.544 194 HA GLN 25 HA GLN 25 -6.315 -8.249 1.288 195 HB2 GLN 25 HB2 GLN 25 -5.683 -10.420 2.194 196 HB3 GLN 25 HB1 GLN 25 -5.263 -10.994 0.587 197 HG2 GLN 25 HG2 GLN 25 -3.269 -10.446 1.802 198 HG3 GLN 25 HG1 GLN 25 -3.479 -9.311 0.472 199 HE21 GLN 25 HE21 GLN 25 -4.071 -7.176 0.927 200 HE22 GLN 25 HE22 GLN 25 -3.853 -6.494 2.501 201 H GLN 26 HN GLN 26 -5.912 -10.390 -1.572 202 HA GLN 26 HA GLN 26 -4.142 -8.454 -2.738 203 HB2 GLN 26 HB2 GLN 26 -4.209 -10.035 -4.737 204 HB3 GLN 26 HB1 GLN 26 -3.496 -10.619 -3.245 205 HG2 GLN 26 HG2 GLN 26 -5.641 -11.767 -2.740 206 HG3 GLN 26 HG1 GLN 26 -6.221 -11.276 -4.331 207 HE21 GLN 26 HE21 GLN 26 -6.455 -13.457 -4.921 208 HE22 GLN 26 HE22 GLN 26 -5.078 -14.433 -5.331 209 H GLN 27 HN GLN 27 -7.438 -9.580 -3.586 210 HA GLN 27 HA GLN 27 -7.467 -8.041 -5.984 211 HB2 GLN 27 HB2 GLN 27 -9.779 -9.276 -4.490 212 HB3 GLN 27 HB1 GLN 27 -9.842 -8.643 -6.128 213 HG2 GLN 27 HG2 GLN 27 -8.253 -11.006 -5.161 214 HG3 GLN 27 HG1 GLN 27 -9.680 -11.032 -6.194 215 HE21 GLN 27 HE21 GLN 27 -7.020 -12.090 -6.671 216 HE22 GLN 27 HE22 GLN 27 -6.426 -11.321 -8.103 217 H GLN 28 HN GLN 28 -9.173 -7.597 -2.881 218 HA GLN 28 HA GLN 28 -10.389 -5.180 -3.768 219 HB2 GLN 28 HB2 GLN 28 -10.368 -6.734 -1.245 220 HB3 GLN 28 HB1 GLN 28 -10.766 -5.026 -1.120 221 HG2 GLN 28 HG2 GLN 28 -12.778 -6.329 -1.345 222 HG3 GLN 28 HG1 GLN 28 -12.545 -5.329 -2.776 223 HE21 GLN 28 HE21 GLN 28 -13.733 -6.561 -4.147 224 HE22 GLN 28 HE22 GLN 28 -13.277 -8.157 -4.653 225 H VAL 29 HN VAL 29 -7.736 -5.831 -1.489 226 HA VAL 29 HA VAL 29 -7.386 -3.163 -0.709 227 HB VAL 29 HB VAL 29 -5.411 -5.443 -0.704 228 HG11 VAL 29 HG11 VAL 29 -5.198 -2.699 0.533 229 HG12 VAL 29 HG12 VAL 29 -4.145 -3.395 -0.702 230 HG13 VAL 29 HG13 VAL 29 -4.149 -4.059 0.932 231 HG21 VAL 29 HG21 VAL 29 -7.391 -5.743 0.710 232 HG22 VAL 29 HG22 VAL 29 -7.062 -4.200 1.495 233 HG23 VAL 29 HG23 VAL 29 -5.930 -5.540 1.676 234 H LEU 30 HN LEU 30 -5.808 -5.001 -3.325 235 HA LEU 30 HA LEU 30 -3.958 -3.045 -4.076 236 HB2 LEU 30 HB2 LEU 30 -4.117 -5.449 -4.880 237 HB3 LEU 30 HB1 LEU 30 -5.379 -4.917 -5.971 238 HG LEU 30 HG LEU 30 -2.628 -3.691 -6.048 239 HD11 LEU 30 HD11 LEU 30 -2.061 -5.283 -7.813 240 HD12 LEU 30 HD12 LEU 30 -3.582 -6.134 -7.541 241 HD13 LEU 30 HD13 LEU 30 -2.349 -6.103 -6.278 242 HD21 LEU 30 HD21 LEU 30 -4.803 -3.985 -8.125 243 HD22 LEU 30 HD22 LEU 30 -3.234 -3.218 -8.371 244 HD23 LEU 30 HD23 LEU 30 -4.397 -2.506 -7.252 245 H ASN 31 HN ASN 31 -7.300 -3.560 -5.106 246 HA ASN 31 HA ASN 31 -7.392 -1.511 -7.031 247 HB2 ASN 31 HB2 ASN 31 -9.063 -3.208 -7.094 248 HB3 ASN 31 HB1 ASN 31 -9.547 -2.890 -5.431 249 HD21 ASN 31 HD21 ASN 31 -10.957 -1.258 -5.001 250 HD22 ASN 31 HD22 ASN 31 -11.760 -0.337 -6.222 251 H ILE 32 HN ILE 32 -8.226 -1.521 -3.577 252 HA ILE 32 HA ILE 32 -9.224 1.158 -3.593 253 HB ILE 32 HB ILE 32 -8.297 -0.502 -1.239 254 HG12 ILE 32 HG12 ILE 32 -11.079 -0.113 -2.384 255 HG13 ILE 32 HG11 ILE 32 -10.111 -1.576 -2.540 256 HG21 ILE 32 HG21 ILE 32 -9.690 1.025 0.085 257 HG22 ILE 32 HG22 ILE 32 -10.051 1.950 -1.373 258 HG23 ILE 32 HG23 ILE 32 -8.400 1.889 -0.757 259 HD11 ILE 32 HD11 ILE 32 -11.793 -1.802 -0.805 260 HD12 ILE 32 HD12 ILE 32 -11.126 -0.402 0.035 261 HD13 ILE 32 HD13 ILE 32 -10.168 -1.872 -0.125 262 H LEU 33 HN LEU 33 -6.165 -0.380 -2.763 263 HA LEU 33 HA LEU 33 -4.910 1.907 -1.686 264 HB2 LEU 33 HB2 LEU 33 -4.191 -0.515 -1.468 265 HB3 LEU 33 HB1 LEU 33 -3.552 -0.387 -3.089 266 HG LEU 33 HG LEU 33 -1.832 1.063 -2.442 267 HD11 LEU 33 HD11 LEU 33 -1.735 2.152 -0.245 268 HD12 LEU 33 HD12 LEU 33 -3.323 1.485 0.144 269 HD13 LEU 33 HD13 LEU 33 -3.151 2.650 -1.173 270 HD21 LEU 33 HD21 LEU 33 -2.290 -0.855 -0.156 271 HD22 LEU 33 HD22 LEU 33 -0.764 -0.055 -0.525 272 HD23 LEU 33 HD23 LEU 33 -1.453 -1.209 -1.666 273 H LYS 34 HN LYS 34 -5.177 0.622 -4.949 274 HA LYS 34 HA LYS 34 -3.387 2.380 -6.220 275 HB2 LYS 34 HB2 LYS 34 -4.407 0.307 -7.219 276 HB3 LYS 34 HB1 LYS 34 -5.901 1.214 -7.424 277 HG2 LYS 34 HG2 LYS 34 -4.502 2.886 -8.745 278 HG3 LYS 34 HG1 LYS 34 -3.262 1.630 -8.783 279 HD2 LYS 34 HD2 LYS 34 -4.843 0.098 -9.842 280 HD3 LYS 34 HD1 LYS 34 -6.094 1.341 -9.784 281 HE2 LYS 34 HE2 LYS 34 -3.542 1.355 -11.384 282 HE3 LYS 34 HE1 LYS 34 -5.199 1.344 -11.987 283 HZ1 LYS 34 HZ1 LYS 34 -4.524 3.539 -12.223 284 HZ2 LYS 34 HZ2 LYS 34 -3.701 3.564 -10.745 285 HZ3 LYS 34 HZ3 LYS 34 -5.398 3.576 -10.763 286 H SER 35 HN SER 35 -6.634 2.793 -5.058 287 HA SER 35 HA SER 35 -7.262 5.138 -6.553 288 HB2 SER 35 HB2 SER 35 -9.017 3.720 -5.537 289 HB3 SER 35 HB1 SER 35 -8.438 4.162 -3.931 290 HG SER 35 HG SER 35 -8.812 6.426 -4.790 291 H ASN 36 HN ASN 36 -5.181 4.521 -3.980 292 HA ASN 36 HA ASN 36 -4.932 7.409 -3.459 293 HB2 ASN 36 HB2 ASN 36 -5.564 6.025 -1.439 294 HB3 ASN 36 HB1 ASN 36 -4.040 5.163 -1.625 295 HD21 ASN 36 HD21 ASN 36 -5.030 6.808 0.578 296 HD22 ASN 36 HD22 ASN 36 -3.847 8.045 0.819 297 HA PRO 37 HA PRO 37 -1.602 5.755 -6.150 298 HB2 PRO 37 HB2 PRO 37 -1.023 8.186 -7.306 299 HB3 PRO 37 HB1 PRO 37 -2.254 7.062 -7.890 300 HG2 PRO 37 HG2 PRO 37 -2.561 9.503 -6.201 301 HG3 PRO 37 HG1 PRO 37 -3.590 8.906 -7.516 302 HD2 PRO 37 HD2 PRO 37 -4.258 8.591 -4.927 303 HD3 PRO 37 HD1 PRO 37 -4.662 7.380 -6.159 304 H GLN 38 HN GLN 38 -1.477 8.441 -3.914 305 HA GLN 38 HA GLN 38 1.338 8.862 -4.069 306 HB2 GLN 38 HB2 GLN 38 -0.323 10.530 -3.208 307 HB3 GLN 38 HB1 GLN 38 -0.521 9.525 -1.779 308 HG2 GLN 38 HG2 GLN 38 1.817 9.839 -1.208 309 HG3 GLN 38 HG1 GLN 38 2.056 10.806 -2.662 310 HE21 GLN 38 HE21 GLN 38 0.759 10.720 0.537 311 HE22 GLN 38 HE22 GLN 38 0.396 12.408 0.662 312 H LEU 39 HN LEU 39 -0.771 7.069 -1.852 313 HA LEU 39 HA LEU 39 1.408 6.098 -0.256 314 HB2 LEU 39 HB2 LEU 39 -1.087 6.460 0.388 315 HB3 LEU 39 HB1 LEU 39 -1.345 4.888 -0.338 316 HG LEU 39 HG LEU 39 -1.111 4.875 2.154 317 HD11 LEU 39 HD11 LEU 39 -0.739 2.843 0.892 318 HD12 LEU 39 HD12 LEU 39 0.385 2.938 2.249 319 HD13 LEU 39 HD13 LEU 39 0.944 3.300 0.616 320 HD21 LEU 39 HD21 LEU 39 1.748 5.586 1.523 321 HD22 LEU 39 HD22 LEU 39 1.138 5.087 3.102 322 HD23 LEU 39 HD23 LEU 39 0.579 6.597 2.378 323 H MET 40 HN MET 40 -0.658 4.819 -2.811 324 HA MET 40 HA MET 40 0.203 2.156 -2.762 325 HB2 MET 40 HB2 MET 40 -1.803 2.974 -3.942 326 HB3 MET 40 HB1 MET 40 -0.775 3.777 -5.115 327 HG2 MET 40 HG2 MET 40 -1.734 1.635 -5.892 328 HG3 MET 40 HG1 MET 40 0.028 1.688 -5.947 329 HE1 MET 40 HE1 MET 40 -2.428 -0.766 -5.709 330 HE2 MET 40 HE2 MET 40 -1.435 -2.013 -4.958 331 HE3 MET 40 HE3 MET 40 -0.801 -1.084 -6.318 332 H ALA 41 HN ALA 41 1.480 4.976 -4.478 333 HA ALA 41 HA ALA 41 3.338 3.655 -6.109 334 HB1 ALA 41 HB1 ALA 41 3.524 6.421 -4.914 335 HB2 ALA 41 HB2 ALA 41 2.762 5.994 -6.448 336 HB3 ALA 41 HB3 ALA 41 4.505 5.808 -6.246 337 H ALA 42 HN ALA 42 3.522 4.685 -2.756 338 HA ALA 42 HA ALA 42 6.308 4.249 -2.430 339 HB1 ALA 42 HB1 ALA 42 4.986 5.682 -0.932 340 HB2 ALA 42 HB2 ALA 42 5.872 4.440 -0.048 341 HB3 ALA 42 HB3 ALA 42 4.142 4.257 -0.330 342 H PHE 43 HN PHE 43 3.446 2.259 -1.865 343 HA PHE 43 HA PHE 43 4.826 0.057 -0.745 344 HB2 PHE 43 HB2 PHE 43 2.446 0.269 -0.404 345 HB3 PHE 43 HB1 PHE 43 2.147 0.225 -2.138 346 HD1 PHE 43 HD2 PHE 43 4.483 -1.987 -0.297 347 HD2 PHE 43 HD1 PHE 43 0.710 -1.628 -2.241 348 HE1 PHE 43 HE2 PHE 43 4.203 -4.425 -0.195 349 HE2 PHE 43 HE1 PHE 43 0.424 -4.066 -2.141 350 HZ PHE 43 HZ PHE 43 2.168 -5.469 -1.116 351 H ILE 44 HN ILE 44 3.795 0.822 -4.053 352 HA ILE 44 HA ILE 44 4.718 -1.551 -5.255 353 HB ILE 44 HB ILE 44 4.465 1.211 -6.463 354 HG12 ILE 44 HG12 ILE 44 2.575 -1.152 -6.567 355 HG13 ILE 44 HG11 ILE 44 2.375 0.248 -5.518 356 HG21 ILE 44 HG21 ILE 44 5.937 -0.170 -7.813 357 HG22 ILE 44 HG22 ILE 44 4.388 0.043 -8.630 358 HG23 ILE 44 HG23 ILE 44 4.752 -1.477 -7.812 359 HD11 ILE 44 HD11 ILE 44 2.207 1.684 -7.498 360 HD12 ILE 44 HD12 ILE 44 0.956 0.441 -7.454 361 HD13 ILE 44 HD13 ILE 44 2.347 0.256 -8.524 362 H LYS 45 HN LYS 45 6.303 1.475 -4.452 363 HA LYS 45 HA LYS 45 8.728 0.962 -5.810 364 HB2 LYS 45 HB2 LYS 45 8.062 3.215 -5.169 365 HB3 LYS 45 HB1 LYS 45 8.136 2.778 -3.469 366 HG2 LYS 45 HG2 LYS 45 10.075 4.075 -4.187 367 HG3 LYS 45 HG1 LYS 45 10.527 2.468 -3.617 368 HD2 LYS 45 HD2 LYS 45 11.780 3.009 -5.621 369 HD3 LYS 45 HD1 LYS 45 10.649 1.700 -5.958 370 HE2 LYS 45 HE2 LYS 45 10.611 3.258 -7.791 371 HE3 LYS 45 HE1 LYS 45 9.082 3.363 -6.918 372 HZ1 LYS 45 HZ1 LYS 45 11.358 5.221 -6.495 373 HZ2 LYS 45 HZ2 LYS 45 9.783 5.371 -5.879 374 HZ3 LYS 45 HZ3 LYS 45 10.060 5.539 -7.539 375 H GLN 46 HN GLN 46 7.726 0.460 -2.416 376 HA GLN 46 HA GLN 46 10.297 -0.464 -1.626 377 HB2 GLN 46 HB2 GLN 46 9.352 -1.022 0.475 378 HB3 GLN 46 HB1 GLN 46 8.558 0.450 -0.055 379 HG2 GLN 46 HG2 GLN 46 6.587 -0.792 -0.684 380 HG3 GLN 46 HG1 GLN 46 7.388 -2.314 -0.298 381 HE21 GLN 46 HE21 GLN 46 5.941 -2.935 1.260 382 HE22 GLN 46 HE22 GLN 46 5.798 -2.133 2.788 383 H ARG 47 HN ARG 47 7.367 -2.067 -2.739 384 HA ARG 47 HA ARG 47 7.050 -4.052 -3.791 385 HB2 ARG 47 HB2 ARG 47 9.112 -3.343 -4.992 386 HB3 ARG 47 HB1 ARG 47 10.069 -4.222 -3.815 387 HG2 ARG 47 HG2 ARG 47 9.814 -5.440 -5.922 388 HG3 ARG 47 HG1 ARG 47 9.131 -6.318 -4.555 389 HD2 ARG 47 HD2 ARG 47 7.350 -4.551 -6.161 390 HD3 ARG 47 HD1 ARG 47 7.828 -6.107 -6.836 391 HE ARG 47 HE ARG 47 6.916 -6.464 -4.191 392 HH11 ARG 47 HH11 ARG 47 5.681 -5.645 -7.364 393 HH12 ARG 47 HH12 ARG 47 4.152 -6.421 -7.102 394 HH21 ARG 47 HH21 ARG 47 4.896 -7.477 -3.839 395 HH22 ARG 47 HH22 ARG 47 3.707 -7.468 -5.114 396 H THR 48 HN THR 48 7.808 -3.772 -0.770 397 HA THR 48 HA THR 48 8.494 -5.089 1.014 398 HB THR 48 HB THR 48 6.213 -6.729 -0.085 399 HG1 THR 48 HG1 THR 48 4.887 -5.236 0.997 400 HG21 THR 48 HG21 THR 48 5.728 -7.128 2.288 401 HG22 THR 48 HG22 THR 48 7.159 -6.201 2.738 402 HG23 THR 48 HG23 THR 48 7.334 -7.717 1.854 403 H ALA 49 HN ALA 49 10.536 -5.863 0.455 404 HA ALA 49 HA ALA 49 10.941 -8.209 -1.105 405 HB1 ALA 49 HB1 ALA 49 13.253 -8.084 -0.329 406 HB2 ALA 49 HB2 ALA 49 12.789 -6.869 0.862 407 HB3 ALA 49 HB3 ALA 49 12.669 -6.507 -0.859 408 H LYS 50 HN LYS 50 9.638 -9.838 -0.263 409 HA LYS 50 HA LYS 50 10.160 -10.746 2.453 410 HB2 LYS 50 HB2 LYS 50 8.218 -11.713 0.350 411 HB3 LYS 50 HB1 LYS 50 8.395 -12.451 1.936 412 HG2 LYS 50 HG2 LYS 50 7.754 -10.319 2.979 413 HG3 LYS 50 HG1 LYS 50 7.524 -9.625 1.372 414 HD2 LYS 50 HD2 LYS 50 5.775 -11.247 0.898 415 HD3 LYS 50 HD1 LYS 50 6.044 -12.022 2.460 416 HE2 LYS 50 HE2 LYS 50 5.386 -9.940 3.590 417 HE3 LYS 50 HE1 LYS 50 5.090 -9.192 2.022 418 HZ1 LYS 50 HZ1 LYS 50 3.358 -10.815 1.602 419 HZ2 LYS 50 HZ2 LYS 50 3.042 -9.991 3.051 420 HZ3 LYS 50 HZ3 LYS 50 3.662 -11.573 3.088 421 H TYR 51 HN TYR 51 9.679 -12.753 -0.443 422 HA TYR 51 HA TYR 51 11.871 -14.430 0.508 423 HB2 TYR 51 HB2 TYR 51 10.932 -16.146 -1.030 424 HB3 TYR 51 HB1 TYR 51 9.800 -15.601 0.197 425 HD1 TYR 51 HD2 TYR 51 10.625 -15.470 -3.389 426 HD2 TYR 51 HD1 TYR 51 7.763 -14.482 -0.401 427 HE1 TYR 51 HE2 TYR 51 8.965 -15.012 -5.140 428 HE2 TYR 51 HE1 TYR 51 6.092 -14.021 -2.146 429 HH TYR 51 HH TYR 51 5.927 -13.500 -4.468 430 H VAL 52 HN VAL 52 11.893 -11.883 -1.306 431 HA VAL 52 HA VAL 52 13.425 -13.013 -3.530 432 HB VAL 52 HB VAL 52 13.393 -10.733 -4.492 433 HG11 VAL 52 HG11 VAL 52 11.668 -12.306 -5.130 434 HG12 VAL 52 HG12 VAL 52 10.992 -10.679 -5.033 435 HG13 VAL 52 HG13 VAL 52 10.690 -11.840 -3.738 436 HG21 VAL 52 HG21 VAL 52 13.270 -9.474 -2.397 437 HG22 VAL 52 HG22 VAL 52 11.627 -10.060 -2.140 438 HG23 VAL 52 HG23 VAL 52 11.984 -9.005 -3.509 439 H ALA 53 HN ALA 53 14.113 -12.449 -0.545 440 HA ALA 53 HA ALA 53 15.955 -12.003 0.682 441 HB1 ALA 53 HB1 ALA 53 17.410 -11.986 -1.961 442 HB2 ALA 53 HB2 ALA 53 17.056 -13.421 -0.997 443 HB3 ALA 53 HB3 ALA 53 18.131 -12.176 -0.362 444 H ASN 54 HN ASN 54 18.008 -10.408 0.660 445 HA ASN 54 HA ASN 54 17.248 -7.806 -0.430 446 HB2 ASN 54 HB2 ASN 54 17.755 -6.734 1.785 447 HB3 ASN 54 HB1 ASN 54 16.297 -7.716 1.778 448 HD21 ASN 54 HD21 ASN 54 16.302 -8.033 3.969 449 HD22 ASN 54 HD22 ASN 54 17.455 -9.046 4.772 450 H GLN 55 HN GLN 55 19.253 -9.753 -1.096 451 HA GLN 55 HA GLN 55 21.764 -8.627 -0.124 452 HB2 GLN 55 HB2 GLN 55 21.322 -10.965 -1.995 453 HB3 GLN 55 HB1 GLN 55 22.822 -10.539 -1.184 454 HG2 GLN 55 HG2 GLN 55 21.855 -11.066 0.965 455 HG3 GLN 55 HG1 GLN 55 20.295 -11.388 0.212 456 HE21 GLN 55 HE21 GLN 55 23.496 -12.565 0.792 457 HE22 GLN 55 HE22 GLN 55 23.220 -14.184 0.236 458 HA PRO 56 HA PRO 56 22.035 -6.072 -3.752 459 HB2 PRO 56 HB2 PRO 56 24.877 -5.775 -3.091 460 HB3 PRO 56 HB1 PRO 56 23.598 -4.557 -3.090 461 HG2 PRO 56 HG2 PRO 56 24.710 -5.465 -0.809 462 HG3 PRO 56 HG1 PRO 56 23.002 -4.996 -0.904 463 HD2 PRO 56 HD2 PRO 56 24.224 -7.733 -0.972 464 HD3 PRO 56 HD1 PRO 56 22.779 -7.168 -0.106 465 H GLY 57 HN GLY 57 21.832 -7.584 -5.405 466 HA2 GLY 57 HA2 GLY 57 24.196 -9.101 -6.216 467 HA3 GLY 57 HA1 GLY 57 22.585 -9.228 -6.908 468 H MET 58 HN MET 58 24.139 -9.196 -8.861 469 HA MET 58 HA MET 58 25.364 -6.754 -9.609 470 HB2 MET 58 HB2 MET 58 26.022 -8.902 -10.581 471 HB3 MET 58 HB1 MET 58 24.442 -9.063 -11.331 472 HG2 MET 58 HG2 MET 58 24.869 -7.164 -12.752 473 HG3 MET 58 HG1 MET 58 26.402 -6.862 -11.936 474 HE1 MET 58 HE1 MET 58 28.539 -9.948 -13.007 475 HE2 MET 58 HE2 MET 58 27.585 -9.747 -11.538 476 HE3 MET 58 HE3 MET 58 28.540 -8.401 -12.161 477 H GLN 59 HN GLN 59 24.476 -4.936 -10.296 478 HA GLN 59 HA GLN 59 21.645 -4.938 -11.010 479 HB2 GLN 59 HB2 GLN 59 23.529 -2.671 -10.328 480 HB3 GLN 59 HB1 GLN 59 21.837 -2.460 -10.756 481 HG2 GLN 59 HG2 GLN 59 21.216 -3.831 -8.797 482 HG3 GLN 59 HG1 GLN 59 22.921 -3.917 -8.359 483 HE21 GLN 59 HE21 GLN 59 20.623 -2.764 -6.931 484 HE22 GLN 59 HE22 GLN 59 21.046 -1.112 -6.630 Start of MODEL 6 1 H2 PRO 1 HT1 PRO 1 -1.860 16.800 -3.138 2 H3 PRO 1 HT2 PRO 1 -1.555 15.377 -3.888 3 HA PRO 1 HA PRO 1 -3.180 15.735 -5.175 4 HB2 PRO 1 HB2 PRO 1 -5.360 15.929 -3.246 5 HB3 PRO 1 HB1 PRO 1 -5.035 14.674 -4.453 6 HG2 PRO 1 HG2 PRO 1 -4.708 14.250 -1.807 7 HG3 PRO 1 HG1 PRO 1 -3.702 13.466 -3.038 8 HD2 PRO 1 HD2 PRO 1 -3.082 15.871 -1.340 9 HD3 PRO 1 HD1 PRO 1 -2.060 14.470 -1.714 10 H ASN 2 HN ASN 2 -5.662 17.150 -4.838 11 HA ASN 2 HA ASN 2 -4.792 19.770 -5.395 12 HB2 ASN 2 HB2 ASN 2 -7.509 18.603 -4.830 13 HB3 ASN 2 HB1 ASN 2 -7.298 20.332 -5.083 14 HD21 ASN 2 HD21 ASN 2 -8.580 20.250 -6.937 15 HD22 ASN 2 HD22 ASN 2 -7.982 19.597 -8.426 16 H ARG 3 HN ARG 3 -6.385 18.456 -2.482 17 HA ARG 3 HA ARG 3 -4.991 20.529 -0.986 18 HB2 ARG 3 HB2 ARG 3 -6.918 21.236 0.259 19 HB3 ARG 3 HB1 ARG 3 -7.243 21.436 -1.455 20 HG2 ARG 3 HG2 ARG 3 -8.621 19.442 -1.453 21 HG3 ARG 3 HG1 ARG 3 -8.239 19.158 0.248 22 HD2 ARG 3 HD2 ARG 3 -9.218 21.441 0.713 23 HD3 ARG 3 HD1 ARG 3 -9.819 21.426 -0.945 24 HE ARG 3 HE ARG 3 -10.669 19.060 0.226 25 HH11 ARG 3 HH11 ARG 3 -11.172 22.502 0.623 26 HH12 ARG 3 HH12 ARG 3 -12.703 22.314 1.419 27 HH21 ARG 3 HH21 ARG 3 -12.673 18.801 1.234 28 HH22 ARG 3 HH22 ARG 3 -13.568 20.191 1.773 29 H SER 4 HN SER 4 -7.052 17.619 -0.746 30 HA SER 4 HA SER 4 -5.312 16.611 1.361 31 HB2 SER 4 HB2 SER 4 -8.292 16.971 1.783 32 HB3 SER 4 HB1 SER 4 -7.177 16.199 2.907 33 HG SER 4 HG SER 4 -7.252 18.200 3.677 34 H ILE 5 HN ILE 5 -5.576 14.342 1.741 35 HA ILE 5 HA ILE 5 -6.999 12.902 -0.360 36 HB ILE 5 HB ILE 5 -6.023 10.854 0.711 37 HG12 ILE 5 HG12 ILE 5 -4.466 12.855 2.365 38 HG13 ILE 5 HG11 ILE 5 -5.714 11.780 2.985 39 HG21 ILE 5 HG21 ILE 5 -3.754 11.239 -0.110 40 HG22 ILE 5 HG22 ILE 5 -4.058 12.976 -0.133 41 HG23 ILE 5 HG23 ILE 5 -4.963 11.907 -1.205 42 HD11 ILE 5 HD11 ILE 5 -3.110 10.905 1.744 43 HD12 ILE 5 HD12 ILE 5 -4.351 9.849 2.421 44 HD13 ILE 5 HD13 ILE 5 -3.469 10.957 3.471 45 H SER 6 HN SER 6 -8.923 11.998 -0.087 46 HA SER 6 HA SER 6 -10.475 12.669 2.172 47 HB2 SER 6 HB2 SER 6 -12.200 11.186 1.076 48 HB3 SER 6 HB1 SER 6 -11.560 12.464 0.045 49 HG SER 6 HG SER 6 -10.272 10.960 -0.992 50 HA PRO 7 HA PRO 7 -9.315 9.352 4.911 51 HB2 PRO 7 HB2 PRO 7 -11.823 10.086 6.292 52 HB3 PRO 7 HB1 PRO 7 -10.166 10.064 6.903 53 HG2 PRO 7 HG2 PRO 7 -11.438 12.365 6.408 54 HG3 PRO 7 HG1 PRO 7 -9.699 12.181 6.107 55 HD2 PRO 7 HD2 PRO 7 -11.976 12.141 4.166 56 HD3 PRO 7 HD1 PRO 7 -10.370 12.877 4.001 57 H SER 8 HN SER 8 -12.301 9.713 3.231 58 HA SER 8 HA SER 8 -13.606 7.339 3.969 59 HB2 SER 8 HB2 SER 8 -13.765 8.727 1.285 60 HB3 SER 8 HB1 SER 8 -15.001 7.732 2.053 61 HG SER 8 HG SER 8 -14.551 9.544 3.817 62 H ALA 9 HN ALA 9 -11.266 8.076 1.419 63 HA ALA 9 HA ALA 9 -11.259 5.477 0.263 64 HB1 ALA 9 HB1 ALA 9 -9.216 6.223 -0.874 65 HB2 ALA 9 HB2 ALA 9 -9.167 7.651 0.161 66 HB3 ALA 9 HB3 ALA 9 -10.497 7.430 -0.978 67 H LEU 10 HN LEU 10 -9.449 7.051 2.800 68 HA LEU 10 HA LEU 10 -7.442 5.067 3.077 69 HB2 LEU 10 HB2 LEU 10 -8.427 7.113 5.068 70 HB3 LEU 10 HB1 LEU 10 -6.951 6.179 5.219 71 HG LEU 10 HG LEU 10 -7.513 8.194 3.042 72 HD11 LEU 10 HD11 LEU 10 -5.741 8.367 5.474 73 HD12 LEU 10 HD12 LEU 10 -7.241 9.258 5.210 74 HD13 LEU 10 HD13 LEU 10 -5.838 9.565 4.184 75 HD21 LEU 10 HD21 LEU 10 -5.138 7.922 2.502 76 HD22 LEU 10 HD22 LEU 10 -6.031 6.415 2.292 77 HD23 LEU 10 HD23 LEU 10 -5.012 6.646 3.713 78 H GLN 11 HN GLN 11 -10.433 5.742 4.865 79 HA GLN 11 HA GLN 11 -10.107 3.677 6.766 80 HB2 GLN 11 HB2 GLN 11 -12.402 4.094 7.381 81 HB3 GLN 11 HB1 GLN 11 -11.616 5.622 7.033 82 HG2 GLN 11 HG2 GLN 11 -12.680 5.713 4.858 83 HG3 GLN 11 HG1 GLN 11 -13.446 4.155 5.156 84 HE21 GLN 11 HE21 GLN 11 -15.157 4.021 6.577 85 HE22 GLN 11 HE22 GLN 11 -16.011 5.423 7.128 86 H ASP 12 HN ASP 12 -11.641 3.811 3.632 87 HA ASP 12 HA ASP 12 -12.940 1.300 3.734 88 HB2 ASP 12 HB2 ASP 12 -13.239 3.245 2.038 89 HB3 ASP 12 HB1 ASP 12 -11.895 2.500 1.179 90 H LEU 13 HN LEU 13 -9.700 2.296 2.900 91 HA LEU 13 HA LEU 13 -8.813 -0.181 1.843 92 HB2 LEU 13 HB2 LEU 13 -7.647 1.964 1.485 93 HB3 LEU 13 HB1 LEU 13 -7.246 2.027 3.191 94 HG LEU 13 HG LEU 13 -5.898 -0.047 2.903 95 HD11 LEU 13 HD11 LEU 13 -5.316 -0.762 0.637 96 HD12 LEU 13 HD12 LEU 13 -6.471 0.395 -0.024 97 HD13 LEU 13 HD13 LEU 13 -7.038 -0.957 0.956 98 HD21 LEU 13 HD21 LEU 13 -5.135 2.250 1.103 99 HD22 LEU 13 HD22 LEU 13 -4.036 1.041 1.771 100 HD23 LEU 13 HD23 LEU 13 -4.866 2.171 2.843 101 H LEU 14 HN LEU 14 -8.674 1.272 5.069 102 HA LEU 14 HA LEU 14 -7.133 -0.702 6.331 103 HB2 LEU 14 HB2 LEU 14 -9.303 0.830 7.735 104 HB3 LEU 14 HB1 LEU 14 -7.757 0.299 8.371 105 HG LEU 14 HG LEU 14 -8.148 2.457 6.314 106 HD11 LEU 14 HD11 LEU 14 -7.438 2.653 9.238 107 HD12 LEU 14 HD12 LEU 14 -8.972 3.123 8.506 108 HD13 LEU 14 HD13 LEU 14 -7.496 3.995 8.097 109 HD21 LEU 14 HD21 LEU 14 -5.763 2.931 6.695 110 HD22 LEU 14 HD22 LEU 14 -6.016 1.309 6.049 111 HD23 LEU 14 HD23 LEU 14 -5.664 1.529 7.763 112 H ARG 15 HN ARG 15 -10.639 -0.329 6.084 113 HA ARG 15 HA ARG 15 -11.341 -2.356 7.861 114 HB2 ARG 15 HB2 ARG 15 -13.537 -2.410 6.689 115 HB3 ARG 15 HB1 ARG 15 -13.017 -0.808 7.186 116 HG2 ARG 15 HG2 ARG 15 -13.668 -0.248 5.122 117 HG3 ARG 15 HG1 ARG 15 -12.092 -0.886 4.650 118 HD2 ARG 15 HD2 ARG 15 -13.135 -3.084 4.245 119 HD3 ARG 15 HD1 ARG 15 -14.706 -2.392 4.645 120 HE ARG 15 HE ARG 15 -13.310 -1.012 2.528 121 HH11 ARG 15 HH11 ARG 15 -15.489 -3.634 3.313 122 HH12 ARG 15 HH12 ARG 15 -16.212 -3.680 1.736 123 HH21 ARG 15 HH21 ARG 15 -14.255 -1.039 0.461 124 HH22 ARG 15 HH22 ARG 15 -15.515 -2.198 0.104 125 H THR 16 HN THR 16 -10.935 -2.624 4.343 126 HA THR 16 HA THR 16 -11.536 -5.412 4.340 127 HB THR 16 HB THR 16 -11.996 -4.257 2.323 128 HG1 THR 16 HG1 THR 16 -9.885 -6.110 2.237 129 HG21 THR 16 HG21 THR 16 -10.220 -3.203 0.969 130 HG22 THR 16 HG22 THR 16 -9.098 -3.448 2.309 131 HG23 THR 16 HG23 THR 16 -10.502 -2.394 2.510 132 H LEU 17 HN LEU 17 -8.610 -3.496 4.468 133 HA LEU 17 HA LEU 17 -6.771 -5.577 4.001 134 HB2 LEU 17 HB2 LEU 17 -6.241 -3.184 3.791 135 HB3 LEU 17 HB1 LEU 17 -6.423 -2.989 5.520 136 HG LEU 17 HG LEU 17 -4.401 -4.964 4.606 137 HD11 LEU 17 HD11 LEU 17 -4.079 -3.070 3.070 138 HD12 LEU 17 HD12 LEU 17 -2.749 -3.223 4.218 139 HD13 LEU 17 HD13 LEU 17 -3.978 -1.978 4.453 140 HD21 LEU 17 HD21 LEU 17 -4.823 -4.536 6.983 141 HD22 LEU 17 HD22 LEU 17 -4.435 -2.833 6.742 142 HD23 LEU 17 HD23 LEU 17 -3.189 -4.060 6.520 143 H LYS 18 HN LYS 18 -8.643 -4.737 6.765 144 HA LYS 18 HA LYS 18 -6.984 -5.889 8.760 145 HB2 LYS 18 HB2 LYS 18 -8.829 -4.298 9.240 146 HB3 LYS 18 HB1 LYS 18 -9.991 -5.529 8.762 147 HG2 LYS 18 HG2 LYS 18 -8.915 -6.973 10.587 148 HG3 LYS 18 HG1 LYS 18 -8.201 -5.465 11.161 149 HD2 LYS 18 HD2 LYS 18 -11.146 -6.010 10.805 150 HD3 LYS 18 HD1 LYS 18 -10.279 -5.974 12.340 151 HE2 LYS 18 HE2 LYS 18 -9.710 -3.609 11.931 152 HE3 LYS 18 HE1 LYS 18 -10.645 -3.661 10.437 153 HZ1 LYS 18 HZ1 LYS 18 -12.612 -4.229 11.770 154 HZ2 LYS 18 HZ2 LYS 18 -11.967 -2.720 12.197 155 HZ3 LYS 18 HZ3 LYS 18 -11.694 -4.071 13.186 156 H SER 19 HN SER 19 -9.447 -7.157 6.598 157 HA SER 19 HA SER 19 -9.040 -9.824 7.755 158 HB2 SER 19 HB2 SER 19 -11.392 -9.009 7.521 159 HB3 SER 19 HB1 SER 19 -11.157 -8.934 5.775 160 HG SER 19 HG SER 19 -10.827 -11.285 7.336 161 HA PRO 20 HA PRO 20 -6.718 -10.376 3.902 162 HB2 PRO 20 HB2 PRO 20 -4.623 -11.670 4.973 163 HB3 PRO 20 HB1 PRO 20 -4.793 -9.916 5.113 164 HG2 PRO 20 HG2 PRO 20 -5.163 -12.014 7.161 165 HG3 PRO 20 HG1 PRO 20 -4.737 -10.308 7.364 166 HD2 PRO 20 HD2 PRO 20 -7.308 -11.537 7.658 167 HD3 PRO 20 HD1 PRO 20 -6.895 -9.820 7.831 168 H SER 21 HN SER 21 -8.429 -12.310 5.921 169 HA SER 21 HA SER 21 -7.597 -14.897 4.927 170 HB2 SER 21 HB2 SER 21 -9.634 -15.535 6.458 171 HB3 SER 21 HB1 SER 21 -8.121 -14.989 7.191 172 HG SER 21 HG SER 21 -10.236 -13.970 7.867 173 H SER 22 HN SER 22 -8.487 -13.307 2.871 174 HA SER 22 HA SER 22 -10.446 -14.917 1.661 175 HB2 SER 22 HB2 SER 22 -12.277 -13.255 1.460 176 HB3 SER 22 HB1 SER 22 -12.010 -13.733 3.134 177 HG SER 22 HG SER 22 -11.738 -11.703 3.540 178 HA PRO 23 HA PRO 23 -9.006 -13.040 -2.147 179 HB2 PRO 23 HB2 PRO 23 -11.366 -11.922 -3.184 180 HB3 PRO 23 HB1 PRO 23 -10.746 -13.545 -3.498 181 HG2 PRO 23 HG2 PRO 23 -12.821 -12.647 -1.560 182 HG3 PRO 23 HG1 PRO 23 -12.735 -14.143 -2.507 183 HD2 PRO 23 HD2 PRO 23 -12.170 -14.133 0.100 184 HD3 PRO 23 HD1 PRO 23 -11.235 -15.135 -1.032 185 H GLN 24 HN GLN 24 -10.779 -11.121 0.140 186 HA GLN 24 HA GLN 24 -10.692 -8.619 -1.120 187 HB2 GLN 24 HB2 GLN 24 -10.758 -9.325 1.814 188 HB3 GLN 24 HB1 GLN 24 -10.951 -7.688 1.199 189 HG2 GLN 24 HG2 GLN 24 -12.915 -8.524 -0.120 190 HG3 GLN 24 HG1 GLN 24 -12.765 -10.046 0.756 191 HE21 GLN 24 HE21 GLN 24 -11.910 -8.688 3.218 192 HE22 GLN 24 HE22 GLN 24 -13.348 -7.994 3.888 193 H GLN 25 HN GLN 25 -8.212 -10.393 0.570 194 HA GLN 25 HA GLN 25 -6.571 -8.249 1.338 195 HB2 GLN 25 HB2 GLN 25 -6.233 -10.599 2.076 196 HB3 GLN 25 HB1 GLN 25 -5.686 -11.004 0.453 197 HG2 GLN 25 HG2 GLN 25 -3.918 -9.202 0.773 198 HG3 GLN 25 HG1 GLN 25 -4.360 -9.232 2.477 199 HE21 GLN 25 HE21 GLN 25 -4.901 -12.139 2.410 200 HE22 GLN 25 HE22 GLN 25 -3.344 -12.893 2.370 201 H GLN 26 HN GLN 26 -6.297 -10.332 -1.561 202 HA GLN 26 HA GLN 26 -4.473 -8.489 -2.795 203 HB2 GLN 26 HB2 GLN 26 -5.899 -10.904 -3.909 204 HB3 GLN 26 HB1 GLN 26 -4.663 -9.991 -4.761 205 HG2 GLN 26 HG2 GLN 26 -3.030 -10.579 -3.054 206 HG3 GLN 26 HG1 GLN 26 -4.267 -11.466 -2.164 207 HE21 GLN 26 HE21 GLN 26 -5.035 -13.416 -2.992 208 HE22 GLN 26 HE22 GLN 26 -4.197 -14.290 -4.231 209 H GLN 27 HN GLN 27 -7.876 -9.400 -3.383 210 HA GLN 27 HA GLN 27 -8.006 -7.957 -5.833 211 HB2 GLN 27 HB2 GLN 27 -9.422 -9.976 -4.876 212 HB3 GLN 27 HB1 GLN 27 -10.476 -8.684 -4.328 213 HG2 GLN 27 HG2 GLN 27 -9.607 -9.044 -7.185 214 HG3 GLN 27 HG1 GLN 27 -11.094 -9.703 -6.515 215 HE21 GLN 27 HE21 GLN 27 -10.655 -7.788 -8.672 216 HE22 GLN 27 HE22 GLN 27 -11.549 -6.373 -8.232 217 H GLN 28 HN GLN 28 -9.463 -7.316 -2.637 218 HA GLN 28 HA GLN 28 -10.738 -4.941 -3.555 219 HB2 GLN 28 HB2 GLN 28 -10.303 -5.996 -0.763 220 HB3 GLN 28 HB1 GLN 28 -11.271 -4.579 -1.145 221 HG2 GLN 28 HG2 GLN 28 -11.798 -7.354 -2.169 222 HG3 GLN 28 HG1 GLN 28 -12.604 -6.615 -0.787 223 HE21 GLN 28 HE21 GLN 28 -12.708 -3.980 -2.034 224 HE22 GLN 28 HE22 GLN 28 -13.940 -4.067 -3.244 225 H VAL 29 HN VAL 29 -7.950 -5.548 -1.441 226 HA VAL 29 HA VAL 29 -7.401 -2.870 -0.855 227 HB VAL 29 HB VAL 29 -5.473 -5.193 -0.997 228 HG11 VAL 29 HG11 VAL 29 -4.023 -3.856 0.451 229 HG12 VAL 29 HG12 VAL 29 -5.156 -2.507 0.344 230 HG13 VAL 29 HG13 VAL 29 -4.296 -3.051 -1.096 231 HG21 VAL 29 HG21 VAL 29 -6.941 -3.987 1.348 232 HG22 VAL 29 HG22 VAL 29 -5.788 -5.321 1.417 233 HG23 VAL 29 HG23 VAL 29 -7.324 -5.524 0.573 234 H LEU 30 HN LEU 30 -6.347 -4.902 -3.555 235 HA LEU 30 HA LEU 30 -4.354 -3.293 -4.621 236 HB2 LEU 30 HB2 LEU 30 -4.933 -5.587 -5.364 237 HB3 LEU 30 HB1 LEU 30 -6.355 -4.947 -6.164 238 HG LEU 30 HG LEU 30 -4.804 -3.556 -7.583 239 HD11 LEU 30 HD11 LEU 30 -2.732 -5.349 -6.324 240 HD12 LEU 30 HD12 LEU 30 -2.845 -3.598 -6.157 241 HD13 LEU 30 HD13 LEU 30 -2.469 -4.310 -7.726 242 HD21 LEU 30 HD21 LEU 30 -4.204 -5.435 -9.036 243 HD22 LEU 30 HD22 LEU 30 -5.846 -5.583 -8.414 244 HD23 LEU 30 HD23 LEU 30 -4.548 -6.554 -7.719 245 H ASN 31 HN ASN 31 -7.845 -3.194 -5.265 246 HA ASN 31 HA ASN 31 -7.688 -1.122 -7.200 247 HB2 ASN 31 HB2 ASN 31 -9.614 -2.634 -7.099 248 HB3 ASN 31 HB1 ASN 31 -10.036 -2.007 -5.506 249 HD21 ASN 31 HD21 ASN 31 -9.971 -1.362 -8.920 250 HD22 ASN 31 HD22 ASN 31 -10.994 0.034 -8.882 251 H ILE 32 HN ILE 32 -8.479 -1.136 -3.749 252 HA ILE 32 HA ILE 32 -9.120 1.623 -3.593 253 HB ILE 32 HB ILE 32 -8.219 -0.219 -1.369 254 HG12 ILE 32 HG12 ILE 32 -11.036 0.421 -2.273 255 HG13 ILE 32 HG11 ILE 32 -10.176 -1.055 -2.701 256 HG21 ILE 32 HG21 ILE 32 -8.140 2.142 -0.772 257 HG22 ILE 32 HG22 ILE 32 -9.443 1.320 0.089 258 HG23 ILE 32 HG23 ILE 32 -9.810 2.342 -1.301 259 HD11 ILE 32 HD11 ILE 32 -10.924 -0.169 0.074 260 HD12 ILE 32 HD12 ILE 32 -10.021 -1.629 -0.326 261 HD13 ILE 32 HD13 ILE 32 -11.690 -1.451 -0.865 262 H LEU 33 HN LEU 33 -6.221 -0.257 -3.016 263 HA LEU 33 HA LEU 33 -4.588 1.785 -1.997 264 HB2 LEU 33 HB2 LEU 33 -4.162 -0.695 -1.973 265 HB3 LEU 33 HB1 LEU 33 -3.727 -0.578 -3.665 266 HG LEU 33 HG LEU 33 -1.828 0.842 -3.112 267 HD11 LEU 33 HD11 LEU 33 -2.772 2.003 -1.199 268 HD12 LEU 33 HD12 LEU 33 -1.236 1.248 -0.770 269 HD13 LEU 33 HD13 LEU 33 -2.755 0.506 -0.265 270 HD21 LEU 33 HD21 LEU 33 -1.511 -1.575 -3.106 271 HD22 LEU 33 HD22 LEU 33 -1.984 -1.643 -1.408 272 HD23 LEU 33 HD23 LEU 33 -0.501 -0.809 -1.877 273 H LYS 34 HN LYS 34 -5.334 0.761 -5.289 274 HA LYS 34 HA LYS 34 -3.387 2.342 -6.598 275 HB2 LYS 34 HB2 LYS 34 -4.681 0.391 -7.572 276 HB3 LYS 34 HB1 LYS 34 -6.045 1.489 -7.749 277 HG2 LYS 34 HG2 LYS 34 -4.664 2.931 -9.190 278 HG3 LYS 34 HG1 LYS 34 -3.342 1.771 -9.048 279 HD2 LYS 34 HD2 LYS 34 -4.839 0.038 -10.011 280 HD3 LYS 34 HD1 LYS 34 -6.055 1.289 -10.270 281 HE2 LYS 34 HE2 LYS 34 -4.837 0.895 -12.319 282 HE3 LYS 34 HE1 LYS 34 -4.462 2.504 -11.705 283 HZ1 LYS 34 HZ1 LYS 34 -2.367 1.758 -10.918 284 HZ2 LYS 34 HZ2 LYS 34 -2.511 1.199 -12.508 285 HZ3 LYS 34 HZ3 LYS 34 -2.746 0.134 -11.212 286 H SER 35 HN SER 35 -6.562 3.013 -5.346 287 HA SER 35 HA SER 35 -6.858 5.512 -6.732 288 HB2 SER 35 HB2 SER 35 -8.755 4.037 -5.865 289 HB3 SER 35 HB1 SER 35 -8.360 4.646 -4.259 290 HG SER 35 HG SER 35 -9.068 6.606 -4.799 291 H ASN 36 HN ASN 36 -5.031 4.467 -4.146 292 HA ASN 36 HA ASN 36 -4.687 7.214 -3.146 293 HB2 ASN 36 HB2 ASN 36 -4.354 4.569 -1.724 294 HB3 ASN 36 HB1 ASN 36 -3.727 6.081 -1.079 295 HD21 ASN 36 HD21 ASN 36 -6.560 4.194 -1.736 296 HD22 ASN 36 HD22 ASN 36 -7.658 5.170 -0.826 297 HA PRO 37 HA PRO 37 -1.140 6.046 -5.839 298 HB2 PRO 37 HB2 PRO 37 -0.725 8.982 -5.622 299 HB3 PRO 37 HB1 PRO 37 -0.738 7.945 -7.054 300 HG2 PRO 37 HG2 PRO 37 -2.804 9.527 -6.531 301 HG3 PRO 37 HG1 PRO 37 -3.058 7.886 -7.153 302 HD2 PRO 37 HD2 PRO 37 -3.363 8.924 -4.363 303 HD3 PRO 37 HD1 PRO 37 -4.369 7.760 -5.252 304 H GLN 38 HN GLN 38 -1.024 8.233 -3.064 305 HA GLN 38 HA GLN 38 1.749 8.333 -2.736 306 HB2 GLN 38 HB2 GLN 38 0.287 9.868 -1.569 307 HB3 GLN 38 HB1 GLN 38 -0.465 8.547 -0.689 308 HG2 GLN 38 HG2 GLN 38 1.619 8.108 0.477 309 HG3 GLN 38 HG1 GLN 38 2.412 9.395 -0.431 310 HE21 GLN 38 HE21 GLN 38 0.065 11.138 -0.319 311 HE22 GLN 38 HE22 GLN 38 -0.014 11.733 1.310 312 H LEU 39 HN LEU 39 -0.637 6.129 -1.314 313 HA LEU 39 HA LEU 39 1.346 4.685 0.171 314 HB2 LEU 39 HB2 LEU 39 -1.325 4.999 0.463 315 HB3 LEU 39 HB1 LEU 39 -1.289 3.441 -0.338 316 HG LEU 39 HG LEU 39 -1.395 3.247 2.120 317 HD11 LEU 39 HD11 LEU 39 -0.393 1.431 0.884 318 HD12 LEU 39 HD12 LEU 39 0.468 1.669 2.406 319 HD13 LEU 39 HD13 LEU 39 1.170 2.249 0.894 320 HD21 LEU 39 HD21 LEU 39 0.530 3.862 3.482 321 HD22 LEU 39 HD22 LEU 39 -0.153 5.274 2.674 322 HD23 LEU 39 HD23 LEU 39 1.327 4.540 2.060 323 H MET 40 HN MET 40 -0.428 4.223 -2.848 324 HA MET 40 HA MET 40 0.361 1.586 -3.396 325 HB2 MET 40 HB2 MET 40 -1.043 3.640 -4.731 326 HB3 MET 40 HB1 MET 40 0.237 3.119 -5.819 327 HG2 MET 40 HG2 MET 40 -1.830 1.349 -4.540 328 HG3 MET 40 HG1 MET 40 -1.816 1.903 -6.210 329 HE1 MET 40 HE1 MET 40 -1.027 -1.965 -6.381 330 HE2 MET 40 HE2 MET 40 -2.185 -0.701 -6.797 331 HE3 MET 40 HE3 MET 40 -1.989 -1.205 -5.117 332 H ALA 41 HN ALA 41 1.844 4.675 -4.280 333 HA ALA 41 HA ALA 41 3.969 3.708 -5.792 334 HB1 ALA 41 HB1 ALA 41 3.352 6.070 -5.691 335 HB2 ALA 41 HB2 ALA 41 5.067 5.836 -5.348 336 HB3 ALA 41 HB3 ALA 41 3.937 6.152 -4.027 337 H ALA 42 HN ALA 42 3.650 4.068 -2.299 338 HA ALA 42 HA ALA 42 6.359 3.478 -1.682 339 HB1 ALA 42 HB1 ALA 42 5.583 3.198 0.600 340 HB2 ALA 42 HB2 ALA 42 3.911 3.139 0.043 341 HB3 ALA 42 HB3 ALA 42 4.844 4.628 -0.122 342 H PHE 43 HN PHE 43 3.412 1.543 -1.801 343 HA PHE 43 HA PHE 43 4.561 -0.900 -0.989 344 HB2 PHE 43 HB2 PHE 43 2.159 -0.526 -0.904 345 HB3 PHE 43 HB1 PHE 43 2.097 -0.333 -2.651 346 HD1 PHE 43 HD1 PHE 43 3.467 -2.867 -0.266 347 HD2 PHE 43 HD2 PHE 43 1.143 -2.087 -3.743 348 HE1 PHE 43 HE1 PHE 43 3.044 -5.278 -0.520 349 HE2 PHE 43 HE2 PHE 43 0.714 -4.495 -4.005 350 HZ PHE 43 HZ PHE 43 1.668 -6.094 -2.389 351 H ILE 44 HN ILE 44 4.005 0.522 -4.180 352 HA ILE 44 HA ILE 44 4.887 -1.676 -5.707 353 HB ILE 44 HB ILE 44 4.803 1.273 -6.350 354 HG12 ILE 44 HG12 ILE 44 3.045 -1.008 -7.277 355 HG13 ILE 44 HG11 ILE 44 2.631 0.094 -5.965 356 HG21 ILE 44 HG21 ILE 44 5.356 -1.027 -8.216 357 HG22 ILE 44 HG22 ILE 44 6.505 0.218 -7.730 358 HG23 ILE 44 HG23 ILE 44 5.094 0.648 -8.698 359 HD11 ILE 44 HD11 ILE 44 3.065 0.844 -8.848 360 HD12 ILE 44 HD12 ILE 44 2.689 1.967 -7.542 361 HD13 ILE 44 HD13 ILE 44 1.518 0.737 -8.010 362 H LYS 45 HN LYS 45 6.611 1.175 -4.473 363 HA LYS 45 HA LYS 45 9.045 0.652 -5.789 364 HB2 LYS 45 HB2 LYS 45 8.614 2.854 -4.984 365 HB3 LYS 45 HB1 LYS 45 8.356 2.277 -3.345 366 HG2 LYS 45 HG2 LYS 45 10.487 3.405 -3.543 367 HG3 LYS 45 HG1 LYS 45 10.723 1.699 -3.168 368 HD2 LYS 45 HD2 LYS 45 12.320 2.423 -4.842 369 HD3 LYS 45 HD1 LYS 45 11.192 1.261 -5.541 370 HE2 LYS 45 HE2 LYS 45 9.940 3.051 -6.579 371 HE3 LYS 45 HE1 LYS 45 10.971 4.257 -5.810 372 HZ1 LYS 45 HZ1 LYS 45 12.832 3.489 -7.087 373 HZ2 LYS 45 HZ2 LYS 45 11.553 3.824 -8.145 374 HZ3 LYS 45 HZ3 LYS 45 11.925 2.216 -7.744 375 H GLN 46 HN GLN 46 7.983 -0.084 -2.462 376 HA GLN 46 HA GLN 46 10.526 -1.309 -1.865 377 HB2 GLN 46 HB2 GLN 46 7.974 -1.177 -0.255 378 HB3 GLN 46 HB1 GLN 46 9.503 -1.817 0.333 379 HG2 GLN 46 HG2 GLN 46 10.541 0.368 0.053 380 HG3 GLN 46 HG1 GLN 46 9.025 1.017 -0.571 381 HE21 GLN 46 HE21 GLN 46 10.749 -0.074 2.237 382 HE22 GLN 46 HE22 GLN 46 9.620 0.535 3.406 383 H ARG 47 HN ARG 47 7.389 -2.368 -2.896 384 HA ARG 47 HA ARG 47 6.441 -4.397 -3.268 385 HB2 ARG 47 HB2 ARG 47 9.317 -5.325 -3.523 386 HB3 ARG 47 HB1 ARG 47 7.899 -6.170 -4.132 387 HG2 ARG 47 HG2 ARG 47 7.452 -4.386 -5.690 388 HG3 ARG 47 HG1 ARG 47 8.780 -3.435 -5.026 389 HD2 ARG 47 HD2 ARG 47 9.550 -4.439 -7.041 390 HD3 ARG 47 HD1 ARG 47 10.326 -5.278 -5.701 391 HE ARG 47 HE ARG 47 8.756 -7.117 -6.061 392 HH11 ARG 47 HH11 ARG 47 8.942 -4.693 -8.578 393 HH12 ARG 47 HH12 ARG 47 8.505 -5.786 -9.854 394 HH21 ARG 47 HH21 ARG 47 8.134 -8.560 -7.745 395 HH22 ARG 47 HH22 ARG 47 8.041 -7.976 -9.384 396 H THR 48 HN THR 48 6.724 -3.642 -0.639 397 HA THR 48 HA THR 48 6.590 -4.383 1.494 398 HB THR 48 HB THR 48 6.918 -7.169 0.354 399 HG1 THR 48 HG1 THR 48 5.022 -6.267 -0.427 400 HG21 THR 48 HG21 THR 48 5.935 -6.250 3.062 401 HG22 THR 48 HG22 THR 48 7.452 -7.087 2.733 402 HG23 THR 48 HG23 THR 48 5.917 -7.915 2.474 403 H ALA 49 HN ALA 49 8.930 -6.622 -0.019 404 HA ALA 49 HA ALA 49 11.257 -5.342 0.870 405 HB1 ALA 49 HB1 ALA 49 10.472 -5.945 3.121 406 HB2 ALA 49 HB2 ALA 49 11.964 -6.788 2.706 407 HB3 ALA 49 HB3 ALA 49 10.423 -7.643 2.644 408 H LYS 50 HN LYS 50 11.947 -5.958 -1.213 409 HA LYS 50 HA LYS 50 12.371 -8.856 -1.529 410 HB2 LYS 50 HB2 LYS 50 10.662 -7.868 -3.084 411 HB3 LYS 50 HB1 LYS 50 11.950 -6.908 -3.795 412 HG2 LYS 50 HG2 LYS 50 11.646 -8.767 -5.208 413 HG3 LYS 50 HG1 LYS 50 13.131 -9.072 -4.308 414 HD2 LYS 50 HD2 LYS 50 10.453 -10.178 -3.484 415 HD3 LYS 50 HD1 LYS 50 11.552 -11.037 -4.560 416 HE2 LYS 50 HE2 LYS 50 13.246 -11.104 -2.837 417 HE3 LYS 50 HE1 LYS 50 12.246 -10.120 -1.770 418 HZ1 LYS 50 HZ1 LYS 50 10.607 -11.913 -1.740 419 HZ2 LYS 50 HZ2 LYS 50 12.112 -12.434 -1.157 420 HZ3 LYS 50 HZ3 LYS 50 11.614 -12.864 -2.720 421 H TYR 51 HN TYR 51 13.606 -5.697 -2.670 422 HA TYR 51 HA TYR 51 16.227 -6.894 -3.066 423 HB2 TYR 51 HB2 TYR 51 15.462 -5.318 -4.758 424 HB3 TYR 51 HB1 TYR 51 15.235 -4.074 -3.533 425 HD1 TYR 51 HD2 TYR 51 17.896 -6.254 -4.985 426 HD2 TYR 51 HD1 TYR 51 16.932 -2.544 -3.145 427 HE1 TYR 51 HE2 TYR 51 20.211 -5.494 -5.320 428 HE2 TYR 51 HE1 TYR 51 19.242 -1.772 -3.473 429 HH TYR 51 HH TYR 51 21.446 -2.663 -3.807 430 H VAL 52 HN VAL 52 14.562 -4.746 -0.923 431 HA VAL 52 HA VAL 52 16.920 -4.107 0.618 432 HB VAL 52 HB VAL 52 14.013 -3.629 1.313 433 HG11 VAL 52 HG11 VAL 52 16.543 -2.413 2.414 434 HG12 VAL 52 HG12 VAL 52 15.470 -3.533 3.251 435 HG13 VAL 52 HG13 VAL 52 14.905 -1.918 2.832 436 HG21 VAL 52 HG21 VAL 52 14.383 -1.340 0.501 437 HG22 VAL 52 HG22 VAL 52 14.574 -2.533 -0.784 438 HG23 VAL 52 HG23 VAL 52 15.997 -1.801 -0.042 439 H ALA 53 HN ALA 53 17.754 -6.006 1.430 440 HA ALA 53 HA ALA 53 16.008 -7.465 3.298 441 HB1 ALA 53 HB1 ALA 53 18.045 -8.715 1.457 442 HB2 ALA 53 HB2 ALA 53 16.294 -8.784 1.257 443 HB3 ALA 53 HB3 ALA 53 17.054 -9.563 2.645 444 H ASN 54 HN ASN 54 19.449 -7.316 2.350 445 HA ASN 54 HA ASN 54 20.259 -6.570 5.005 446 HB2 ASN 54 HB2 ASN 54 20.032 -8.823 5.597 447 HB3 ASN 54 HB1 ASN 54 20.596 -9.392 4.030 448 HD21 ASN 54 HD21 ASN 54 21.580 -7.967 7.074 449 HD22 ASN 54 HD22 ASN 54 23.232 -8.481 6.987 450 H GLN 55 HN GLN 55 21.513 -8.195 2.076 451 HA GLN 55 HA GLN 55 24.005 -6.715 2.405 452 HB2 GLN 55 HB2 GLN 55 24.001 -9.182 1.981 453 HB3 GLN 55 HB1 GLN 55 23.331 -8.857 0.388 454 HG2 GLN 55 HG2 GLN 55 25.700 -9.214 0.213 455 HG3 GLN 55 HG1 GLN 55 25.326 -7.530 -0.156 456 HE21 GLN 55 HE21 GLN 55 25.339 -8.804 3.097 457 HE22 GLN 55 HE22 GLN 55 26.741 -7.941 3.634 458 HA PRO 56 HA PRO 56 22.785 -4.070 -0.989 459 HB2 PRO 56 HB2 PRO 56 24.729 -2.198 -0.378 460 HB3 PRO 56 HB1 PRO 56 23.101 -2.222 0.294 461 HG2 PRO 56 HG2 PRO 56 25.576 -2.689 1.647 462 HG3 PRO 56 HG1 PRO 56 23.942 -2.723 2.323 463 HD2 PRO 56 HD2 PRO 56 25.679 -4.955 1.488 464 HD3 PRO 56 HD1 PRO 56 24.303 -4.954 2.611 465 H GLY 57 HN GLY 57 23.728 -3.554 -2.992 466 HA2 GLY 57 HA2 GLY 57 25.923 -5.259 -3.746 467 HA3 GLY 57 HA1 GLY 57 25.015 -4.199 -4.812 468 H MET 58 HN MET 58 27.623 -4.341 -2.465 469 HA MET 58 HA MET 58 28.489 -1.668 -2.756 470 HB2 MET 58 HB2 MET 58 29.159 -3.091 -0.857 471 HB3 MET 58 HB1 MET 58 30.099 -4.100 -1.948 472 HG2 MET 58 HG2 MET 58 31.558 -2.239 -2.461 473 HG3 MET 58 HG1 MET 58 30.588 -1.175 -1.447 474 HE1 MET 58 HE1 MET 58 33.938 -1.528 0.557 475 HE2 MET 58 HE2 MET 58 32.788 -0.401 -0.162 476 HE3 MET 58 HE3 MET 58 33.744 -1.463 -1.194 477 H GLN 59 HN GLN 59 29.969 -0.727 -4.056 478 HA GLN 59 HA GLN 59 31.437 -0.377 -5.755 479 HB2 GLN 59 HB2 GLN 59 32.581 -2.476 -5.138 480 HB3 GLN 59 HB1 GLN 59 31.449 -3.379 -6.130 481 HG2 GLN 59 HG2 GLN 59 32.267 -2.095 -8.101 482 HG3 GLN 59 HG1 GLN 59 33.506 -1.396 -7.058 483 HE21 GLN 59 HE21 GLN 59 35.186 -2.314 -8.226 484 HE22 GLN 59 HE22 GLN 59 35.529 -4.013 -8.173 Start of MODEL 7 1 H2 PRO 1 HT1 PRO 1 -2.704 15.838 9.257 2 H3 PRO 1 HT2 PRO 1 -1.316 16.523 8.729 3 HA PRO 1 HA PRO 1 -2.499 17.760 7.521 4 HB2 PRO 1 HB2 PRO 1 -3.595 15.877 5.644 5 HB3 PRO 1 HB1 PRO 1 -2.238 16.992 5.429 6 HG2 PRO 1 HG2 PRO 1 -1.955 14.273 5.590 7 HG3 PRO 1 HG1 PRO 1 -0.689 15.430 6.032 8 HD2 PRO 1 HD2 PRO 1 -2.603 13.947 7.812 9 HD3 PRO 1 HD1 PRO 1 -0.868 14.247 8.028 10 H ASN 2 HN ASN 2 -4.421 18.735 7.646 11 HA ASN 2 HA ASN 2 -6.745 17.101 8.453 12 HB2 ASN 2 HB2 ASN 2 -5.952 19.929 9.132 13 HB3 ASN 2 HB1 ASN 2 -7.603 19.357 9.343 14 HD21 ASN 2 HD21 ASN 2 -5.553 20.271 11.253 15 HD22 ASN 2 HD22 ASN 2 -5.424 18.999 12.420 16 H ARG 3 HN ARG 3 -5.633 19.745 6.418 17 HA ARG 3 HA ARG 3 -8.287 20.167 5.335 18 HB2 ARG 3 HB2 ARG 3 -6.593 22.003 5.829 19 HB3 ARG 3 HB1 ARG 3 -5.717 21.445 4.412 20 HG2 ARG 3 HG2 ARG 3 -7.607 21.954 2.996 21 HG3 ARG 3 HG1 ARG 3 -8.565 22.422 4.403 22 HD2 ARG 3 HD2 ARG 3 -6.795 24.154 4.880 23 HD3 ARG 3 HD1 ARG 3 -6.114 23.777 3.297 24 HE ARG 3 HE ARG 3 -8.577 24.333 2.571 25 HH11 ARG 3 HH11 ARG 3 -6.517 25.996 4.864 26 HH12 ARG 3 HH12 ARG 3 -7.335 27.525 4.694 27 HH21 ARG 3 HH21 ARG 3 -9.656 26.353 2.331 28 HH22 ARG 3 HH22 ARG 3 -9.106 27.723 3.252 29 H SER 4 HN SER 4 -8.929 18.565 4.048 30 HA SER 4 HA SER 4 -9.110 17.184 2.274 31 HB2 SER 4 HB2 SER 4 -7.052 19.047 1.066 32 HB3 SER 4 HB1 SER 4 -7.989 17.853 0.167 33 HG SER 4 HG SER 4 -8.814 20.113 0.246 34 H ILE 5 HN ILE 5 -8.005 15.782 3.959 35 HA ILE 5 HA ILE 5 -5.311 14.970 3.558 36 HB ILE 5 HB ILE 5 -6.305 14.571 5.698 37 HG12 ILE 5 HG12 ILE 5 -5.971 12.123 5.994 38 HG13 ILE 5 HG11 ILE 5 -5.945 11.940 4.243 39 HG21 ILE 5 HG21 ILE 5 -8.208 13.056 6.029 40 HG22 ILE 5 HG22 ILE 5 -8.368 12.897 4.281 41 HG23 ILE 5 HG23 ILE 5 -8.629 14.461 5.051 42 HD11 ILE 5 HD11 ILE 5 -3.704 11.933 5.203 43 HD12 ILE 5 HD12 ILE 5 -3.979 13.547 5.862 44 HD13 ILE 5 HD13 ILE 5 -3.940 13.301 4.116 45 H SER 6 HN SER 6 -4.462 13.389 2.326 46 HA SER 6 HA SER 6 -5.719 12.475 0.012 47 HB2 SER 6 HB2 SER 6 -3.339 11.244 1.436 48 HB3 SER 6 HB1 SER 6 -3.748 11.062 -0.271 49 HG SER 6 HG SER 6 -3.674 13.625 0.070 50 HA PRO 7 HA PRO 7 -8.859 9.671 0.814 51 HB2 PRO 7 HB2 PRO 7 -7.036 7.776 -0.608 52 HB3 PRO 7 HB1 PRO 7 -8.779 8.004 -0.792 53 HG2 PRO 7 HG2 PRO 7 -6.919 9.173 -2.418 54 HG3 PRO 7 HG1 PRO 7 -8.529 9.842 -2.115 55 HD2 PRO 7 HD2 PRO 7 -5.983 10.938 -1.358 56 HD3 PRO 7 HD1 PRO 7 -7.596 11.613 -1.062 57 H SER 8 HN SER 8 -8.040 9.779 3.165 58 HA SER 8 HA SER 8 -7.061 7.257 4.166 59 HB2 SER 8 HB2 SER 8 -6.789 9.419 5.420 60 HB3 SER 8 HB1 SER 8 -8.537 9.455 5.654 61 HG SER 8 HG SER 8 -8.152 7.248 6.611 62 H ALA 9 HN ALA 9 -9.971 8.680 3.154 63 HA ALA 9 HA ALA 9 -11.898 6.982 4.272 64 HB1 ALA 9 HB1 ALA 9 -12.450 9.022 3.050 65 HB2 ALA 9 HB2 ALA 9 -13.267 7.633 2.333 66 HB3 ALA 9 HB3 ALA 9 -11.832 8.311 1.560 67 H LEU 10 HN LEU 10 -9.927 6.721 1.345 68 HA LEU 10 HA LEU 10 -10.872 4.137 0.621 69 HB2 LEU 10 HB2 LEU 10 -8.377 5.636 -0.171 70 HB3 LEU 10 HB1 LEU 10 -8.859 4.097 -0.860 71 HG LEU 10 HG LEU 10 -10.425 6.674 -1.056 72 HD11 LEU 10 HD11 LEU 10 -9.829 6.594 -3.416 73 HD12 LEU 10 HD12 LEU 10 -8.872 5.140 -3.136 74 HD13 LEU 10 HD13 LEU 10 -8.386 6.671 -2.407 75 HD21 LEU 10 HD21 LEU 10 -10.940 3.955 -2.261 76 HD22 LEU 10 HD22 LEU 10 -11.856 5.424 -2.602 77 HD23 LEU 10 HD23 LEU 10 -11.885 4.722 -0.983 78 H GLN 11 HN GLN 11 -8.199 5.356 2.568 79 HA GLN 11 HA GLN 11 -6.751 3.004 2.955 80 HB2 GLN 11 HB2 GLN 11 -7.334 5.182 4.974 81 HB3 GLN 11 HB1 GLN 11 -6.103 3.945 5.165 82 HG2 GLN 11 HG2 GLN 11 -6.153 6.018 2.979 83 HG3 GLN 11 HG1 GLN 11 -5.188 6.106 4.451 84 HE21 GLN 11 HE21 GLN 11 -5.527 4.668 1.329 85 HE22 GLN 11 HE22 GLN 11 -4.004 3.851 1.320 86 H ASP 12 HN ASP 12 -9.775 4.027 4.276 87 HA ASP 12 HA ASP 12 -10.063 2.368 6.515 88 HB2 ASP 12 HB2 ASP 12 -11.466 4.337 5.408 89 HB3 ASP 12 HB1 ASP 12 -12.358 2.985 4.737 90 H LEU 13 HN LEU 13 -11.188 1.904 3.204 91 HA LEU 13 HA LEU 13 -12.353 -0.600 3.872 92 HB2 LEU 13 HB2 LEU 13 -11.795 0.459 1.112 93 HB3 LEU 13 HB1 LEU 13 -12.930 -0.801 1.553 94 HG LEU 13 HG LEU 13 -13.161 2.091 2.383 95 HD11 LEU 13 HD11 LEU 13 -14.633 0.557 0.243 96 HD12 LEU 13 HD12 LEU 13 -13.458 1.848 -0.017 97 HD13 LEU 13 HD13 LEU 13 -14.996 2.203 0.769 98 HD21 LEU 13 HD21 LEU 13 -15.416 1.463 3.085 99 HD22 LEU 13 HD22 LEU 13 -14.192 0.545 3.962 100 HD23 LEU 13 HD23 LEU 13 -15.090 -0.214 2.647 101 H LEU 14 HN LEU 14 -9.311 0.448 2.441 102 HA LEU 14 HA LEU 14 -8.336 -2.027 1.582 103 HB2 LEU 14 HB2 LEU 14 -6.381 -0.978 1.199 104 HB3 LEU 14 HB1 LEU 14 -7.369 0.438 1.452 105 HG LEU 14 HG LEU 14 -6.522 0.324 3.900 106 HD11 LEU 14 HD11 LEU 14 -4.389 -1.294 2.506 107 HD12 LEU 14 HD12 LEU 14 -5.481 -1.887 3.760 108 HD13 LEU 14 HD13 LEU 14 -4.293 -0.640 4.141 109 HD21 LEU 14 HD21 LEU 14 -4.698 1.061 1.619 110 HD22 LEU 14 HD22 LEU 14 -4.548 1.629 3.282 111 HD23 LEU 14 HD23 LEU 14 -5.957 2.080 2.319 112 H ARG 15 HN ARG 15 -8.506 -0.635 4.741 113 HA ARG 15 HA ARG 15 -6.997 -2.291 6.333 114 HB2 ARG 15 HB2 ARG 15 -9.724 -1.109 6.764 115 HB3 ARG 15 HB1 ARG 15 -8.922 -2.056 8.003 116 HG2 ARG 15 HG2 ARG 15 -7.031 -0.479 7.915 117 HG3 ARG 15 HG1 ARG 15 -7.939 0.498 6.763 118 HD2 ARG 15 HD2 ARG 15 -8.127 1.335 9.083 119 HD3 ARG 15 HD1 ARG 15 -9.682 0.880 8.386 120 HE ARG 15 HE ARG 15 -8.667 -1.337 9.764 121 HH11 ARG 15 HH11 ARG 15 -9.870 1.889 10.449 122 HH12 ARG 15 HH12 ARG 15 -10.428 1.478 12.046 123 HH21 ARG 15 HH21 ARG 15 -9.406 -1.882 11.853 124 HH22 ARG 15 HH22 ARG 15 -10.175 -0.672 12.841 125 H THR 16 HN THR 16 -9.748 -3.013 4.524 126 HA THR 16 HA THR 16 -10.928 -5.196 5.727 127 HB THR 16 HB THR 16 -11.673 -4.036 3.597 128 HG1 THR 16 HG1 THR 16 -11.648 -6.834 3.974 129 HG21 THR 16 HG21 THR 16 -9.495 -4.175 2.450 130 HG22 THR 16 HG22 THR 16 -10.817 -4.825 1.477 131 HG23 THR 16 HG23 THR 16 -9.706 -5.922 2.300 132 H LEU 17 HN LEU 17 -7.873 -5.044 4.032 133 HA LEU 17 HA LEU 17 -7.555 -7.729 3.341 134 HB2 LEU 17 HB2 LEU 17 -5.303 -7.208 2.897 135 HB3 LEU 17 HB1 LEU 17 -6.219 -5.753 2.556 136 HG LEU 17 HG LEU 17 -5.501 -5.096 5.011 137 HD11 LEU 17 HD11 LEU 17 -4.407 -7.246 5.502 138 HD12 LEU 17 HD12 LEU 17 -3.285 -5.888 5.594 139 HD13 LEU 17 HD13 LEU 17 -3.267 -6.951 4.187 140 HD21 LEU 17 HD21 LEU 17 -3.645 -4.987 2.638 141 HD22 LEU 17 HD22 LEU 17 -3.543 -3.965 4.071 142 HD23 LEU 17 HD23 LEU 17 -4.942 -3.850 3.004 143 H LYS 18 HN LYS 18 -7.428 -6.265 6.448 144 HA LYS 18 HA LYS 18 -5.593 -8.072 7.663 145 HB2 LYS 18 HB2 LYS 18 -7.721 -6.312 8.887 146 HB3 LYS 18 HB1 LYS 18 -6.525 -7.208 9.810 147 HG2 LYS 18 HG2 LYS 18 -5.975 -5.007 7.831 148 HG3 LYS 18 HG1 LYS 18 -5.849 -4.908 9.589 149 HD2 LYS 18 HD2 LYS 18 -4.204 -6.717 7.817 150 HD3 LYS 18 HD1 LYS 18 -3.655 -5.187 8.500 151 HE2 LYS 18 HE2 LYS 18 -3.960 -6.084 10.755 152 HE3 LYS 18 HE1 LYS 18 -4.522 -7.611 10.080 153 HZ1 LYS 18 HZ1 LYS 18 -2.186 -7.691 10.744 154 HZ2 LYS 18 HZ2 LYS 18 -1.824 -6.446 9.656 155 HZ3 LYS 18 HZ3 LYS 18 -2.363 -7.946 9.074 156 H SER 19 HN SER 19 -8.731 -8.496 6.547 157 HA SER 19 HA SER 19 -9.106 -10.859 8.251 158 HB2 SER 19 HB2 SER 19 -11.056 -9.327 7.953 159 HB3 SER 19 HB1 SER 19 -11.012 -9.648 6.222 160 HG SER 19 HG SER 19 -12.027 -11.165 8.263 161 HA PRO 20 HA PRO 20 -7.334 -12.779 4.559 162 HB2 PRO 20 HB2 PRO 20 -6.020 -14.746 5.805 163 HB3 PRO 20 HB1 PRO 20 -5.442 -13.076 5.862 164 HG2 PRO 20 HG2 PRO 20 -6.872 -14.663 7.942 165 HG3 PRO 20 HG1 PRO 20 -5.598 -13.447 8.133 166 HD2 PRO 20 HD2 PRO 20 -8.345 -13.023 8.467 167 HD3 PRO 20 HD1 PRO 20 -7.112 -11.764 8.288 168 H SER 21 HN SER 21 -10.010 -13.404 6.003 169 HA SER 21 HA SER 21 -10.269 -16.236 5.345 170 HB2 SER 21 HB2 SER 21 -11.281 -15.276 7.452 171 HB3 SER 21 HB1 SER 21 -12.382 -14.346 6.435 172 HG SER 21 HG SER 21 -12.131 -17.177 6.348 173 H SER 22 HN SER 22 -10.469 -13.297 3.827 174 HA SER 22 HA SER 22 -12.311 -14.336 1.799 175 HB2 SER 22 HB2 SER 22 -12.267 -11.492 2.840 176 HB3 SER 22 HB1 SER 22 -13.316 -12.117 1.569 177 HG SER 22 HG SER 22 -14.125 -13.616 3.189 178 HA PRO 23 HA PRO 23 -9.242 -13.392 -1.265 179 HB2 PRO 23 HB2 PRO 23 -11.032 -12.710 -3.272 180 HB3 PRO 23 HB1 PRO 23 -10.512 -14.352 -2.883 181 HG2 PRO 23 HG2 PRO 23 -12.989 -12.900 -2.060 182 HG3 PRO 23 HG1 PRO 23 -12.789 -14.593 -2.551 183 HD2 PRO 23 HD2 PRO 23 -13.061 -13.934 0.019 184 HD3 PRO 23 HD1 PRO 23 -11.944 -15.223 -0.481 185 H GLN 24 HN GLN 24 -11.509 -11.150 -0.059 186 HA GLN 24 HA GLN 24 -11.248 -8.968 -1.794 187 HB2 GLN 24 HB2 GLN 24 -11.695 -8.782 1.190 188 HB3 GLN 24 HB1 GLN 24 -12.192 -7.624 -0.033 189 HG2 GLN 24 HG2 GLN 24 -13.274 -10.410 0.299 190 HG3 GLN 24 HG1 GLN 24 -14.064 -8.924 0.816 191 HE21 GLN 24 HE21 GLN 24 -15.041 -10.922 -0.973 192 HE22 GLN 24 HE22 GLN 24 -15.320 -10.147 -2.498 193 H GLN 25 HN GLN 25 -9.145 -10.204 0.637 194 HA GLN 25 HA GLN 25 -7.729 -7.964 1.448 195 HB2 GLN 25 HB2 GLN 25 -7.390 -10.042 2.574 196 HB3 GLN 25 HB1 GLN 25 -6.874 -10.833 1.092 197 HG2 GLN 25 HG2 GLN 25 -4.864 -9.428 1.051 198 HG3 GLN 25 HG1 GLN 25 -5.379 -8.672 2.557 199 HE21 GLN 25 HE21 GLN 25 -6.416 -11.121 3.675 200 HE22 GLN 25 HE22 GLN 25 -5.050 -12.081 4.116 201 H GLN 26 HN GLN 26 -6.862 -10.189 -1.236 202 HA GLN 26 HA GLN 26 -4.673 -8.487 -1.957 203 HB2 GLN 26 HB2 GLN 26 -4.379 -10.047 -3.874 204 HB3 GLN 26 HB1 GLN 26 -4.387 -10.833 -2.303 205 HG2 GLN 26 HG2 GLN 26 -6.537 -11.728 -2.644 206 HG3 GLN 26 HG1 GLN 26 -6.833 -10.683 -4.032 207 HE21 GLN 26 HE21 GLN 26 -4.193 -11.072 -5.146 208 HE22 GLN 26 HE22 GLN 26 -4.159 -12.671 -5.813 209 H GLN 27 HN GLN 27 -7.821 -9.228 -3.438 210 HA GLN 27 HA GLN 27 -7.203 -7.786 -5.806 211 HB2 GLN 27 HB2 GLN 27 -8.854 -9.728 -5.514 212 HB3 GLN 27 HB1 GLN 27 -9.989 -8.508 -4.953 213 HG2 GLN 27 HG2 GLN 27 -10.367 -8.927 -7.284 214 HG3 GLN 27 HG1 GLN 27 -9.707 -7.305 -7.087 215 HE21 GLN 27 HE21 GLN 27 -9.710 -9.073 -9.422 216 HE22 GLN 27 HE22 GLN 27 -8.048 -9.261 -9.868 217 H GLN 28 HN GLN 28 -9.410 -7.037 -3.089 218 HA GLN 28 HA GLN 28 -10.336 -4.657 -4.349 219 HB2 GLN 28 HB2 GLN 28 -11.728 -5.949 -2.777 220 HB3 GLN 28 HB1 GLN 28 -10.639 -5.519 -1.467 221 HG2 GLN 28 HG2 GLN 28 -12.560 -4.108 -1.350 222 HG3 GLN 28 HG1 GLN 28 -11.184 -3.134 -1.860 223 HE21 GLN 28 HE21 GLN 28 -14.016 -2.611 -2.191 224 HE22 GLN 28 HE22 GLN 28 -14.291 -2.463 -3.902 225 H VAL 29 HN VAL 29 -7.964 -5.326 -1.842 226 HA VAL 29 HA VAL 29 -7.557 -2.648 -1.064 227 HB VAL 29 HB VAL 29 -5.670 -4.999 -0.866 228 HG11 VAL 29 HG11 VAL 29 -5.598 -2.326 0.533 229 HG12 VAL 29 HG12 VAL 29 -4.452 -2.886 -0.687 230 HG13 VAL 29 HG13 VAL 29 -4.542 -3.695 0.879 231 HG21 VAL 29 HG21 VAL 29 -6.466 -5.129 1.427 232 HG22 VAL 29 HG22 VAL 29 -7.803 -5.296 0.287 233 HG23 VAL 29 HG23 VAL 29 -7.552 -3.770 1.137 234 H LEU 30 HN LEU 30 -6.053 -4.650 -3.559 235 HA LEU 30 HA LEU 30 -4.074 -2.830 -4.367 236 HB2 LEU 30 HB2 LEU 30 -4.090 -5.127 -5.142 237 HB3 LEU 30 HB1 LEU 30 -5.617 -4.875 -5.967 238 HG LEU 30 HG LEU 30 -4.450 -3.227 -7.459 239 HD11 LEU 30 HD11 LEU 30 -2.008 -3.316 -7.568 240 HD12 LEU 30 HD12 LEU 30 -1.984 -4.328 -6.123 241 HD13 LEU 30 HD13 LEU 30 -2.577 -2.671 -6.028 242 HD21 LEU 30 HD21 LEU 30 -3.364 -4.935 -8.824 243 HD22 LEU 30 HD22 LEU 30 -4.891 -5.521 -8.171 244 HD23 LEU 30 HD23 LEU 30 -3.369 -6.046 -7.455 245 H ASN 31 HN ASN 31 -7.465 -3.148 -5.226 246 HA ASN 31 HA ASN 31 -7.489 -1.170 -7.250 247 HB2 ASN 31 HB2 ASN 31 -9.260 -2.873 -7.031 248 HB3 ASN 31 HB1 ASN 31 -9.751 -2.175 -5.492 249 HD21 ASN 31 HD21 ASN 31 -11.817 -1.776 -6.175 250 HD22 ASN 31 HD22 ASN 31 -12.208 -0.532 -7.312 251 H ILE 32 HN ILE 32 -8.323 -1.069 -3.785 252 HA ILE 32 HA ILE 32 -8.874 1.679 -3.623 253 HB ILE 32 HB ILE 32 -7.806 -0.283 -1.608 254 HG12 ILE 32 HG12 ILE 32 -10.435 0.988 -2.215 255 HG13 ILE 32 HG11 ILE 32 -10.052 -0.670 -1.770 256 HG21 ILE 32 HG21 ILE 32 -6.762 1.794 -1.025 257 HG22 ILE 32 HG22 ILE 32 -8.056 1.439 0.120 258 HG23 ILE 32 HG23 ILE 32 -8.303 2.641 -1.146 259 HD11 ILE 32 HD11 ILE 32 -9.768 -0.047 0.540 260 HD12 ILE 32 HD12 ILE 32 -11.344 0.492 -0.033 261 HD13 ILE 32 HD13 ILE 32 -10.032 1.654 0.152 262 H LEU 33 HN LEU 33 -5.865 -0.115 -3.371 263 HA LEU 33 HA LEU 33 -4.225 1.943 -2.462 264 HB2 LEU 33 HB2 LEU 33 -3.936 -0.693 -2.827 265 HB3 LEU 33 HB1 LEU 33 -3.077 -0.129 -4.244 266 HG LEU 33 HG LEU 33 -1.343 0.748 -3.025 267 HD11 LEU 33 HD11 LEU 33 -2.708 2.303 -1.727 268 HD12 LEU 33 HD12 LEU 33 -1.498 1.515 -0.715 269 HD13 LEU 33 HD13 LEU 33 -3.182 0.992 -0.644 270 HD21 LEU 33 HD21 LEU 33 -0.774 -0.800 -1.225 271 HD22 LEU 33 HD22 LEU 33 -1.457 -1.657 -2.607 272 HD23 LEU 33 HD23 LEU 33 -2.446 -1.365 -1.176 273 H LYS 34 HN LYS 34 -4.867 0.871 -5.801 274 HA LYS 34 HA LYS 34 -3.134 2.815 -6.954 275 HB2 LYS 34 HB2 LYS 34 -4.272 2.265 -9.091 276 HB3 LYS 34 HB1 LYS 34 -3.678 0.852 -8.232 277 HG2 LYS 34 HG2 LYS 34 -5.937 0.394 -7.427 278 HG3 LYS 34 HG1 LYS 34 -6.529 1.813 -8.293 279 HD2 LYS 34 HD2 LYS 34 -6.933 -0.275 -9.532 280 HD3 LYS 34 HD1 LYS 34 -5.873 0.829 -10.409 281 HE2 LYS 34 HE2 LYS 34 -3.922 -0.446 -9.627 282 HE3 LYS 34 HE1 LYS 34 -4.998 -1.557 -8.779 283 HZ1 LYS 34 HZ1 LYS 34 -5.135 -1.088 -11.706 284 HZ2 LYS 34 HZ2 LYS 34 -5.882 -2.324 -10.813 285 HZ3 LYS 34 HZ3 LYS 34 -4.200 -2.319 -11.009 286 H SER 35 HN SER 35 -6.402 2.906 -5.818 287 HA SER 35 HA SER 35 -7.169 5.256 -7.256 288 HB2 SER 35 HB2 SER 35 -8.373 4.018 -4.767 289 HB3 SER 35 HB1 SER 35 -9.124 5.270 -5.758 290 HG SER 35 HG SER 35 -8.663 2.548 -6.347 291 H ASN 36 HN ASN 36 -5.604 4.624 -4.166 292 HA ASN 36 HA ASN 36 -5.361 7.536 -3.837 293 HB2 ASN 36 HB2 ASN 36 -4.712 7.001 -1.421 294 HB3 ASN 36 HB1 ASN 36 -6.392 6.797 -1.867 295 HD21 ASN 36 HD21 ASN 36 -3.806 4.495 -2.593 296 HD22 ASN 36 HD22 ASN 36 -4.429 3.244 -1.572 297 HA PRO 37 HA PRO 37 -1.440 6.260 -5.721 298 HB2 PRO 37 HB2 PRO 37 -1.182 9.220 -5.807 299 HB3 PRO 37 HB1 PRO 37 -0.927 8.022 -7.081 300 HG2 PRO 37 HG2 PRO 37 -3.115 9.521 -7.069 301 HG3 PRO 37 HG1 PRO 37 -3.196 7.805 -7.515 302 HD2 PRO 37 HD2 PRO 37 -3.980 9.139 -4.954 303 HD3 PRO 37 HD1 PRO 37 -4.776 7.812 -5.823 304 H GLN 38 HN GLN 38 -1.797 8.672 -3.139 305 HA GLN 38 HA GLN 38 0.917 9.014 -2.557 306 HB2 GLN 38 HB2 GLN 38 -0.886 10.438 -1.649 307 HB3 GLN 38 HB1 GLN 38 -1.391 9.109 -0.613 308 HG2 GLN 38 HG2 GLN 38 -0.086 10.645 0.666 309 HG3 GLN 38 HG1 GLN 38 0.822 9.154 0.465 310 HE21 GLN 38 HE21 GLN 38 0.448 11.598 -2.023 311 HE22 GLN 38 HE22 GLN 38 2.111 12.076 -2.054 312 H LEU 39 HN LEU 39 -1.393 6.689 -1.163 313 HA LEU 39 HA LEU 39 0.622 5.504 0.501 314 HB2 LEU 39 HB2 LEU 39 -2.009 5.569 0.755 315 HB3 LEU 39 HB1 LEU 39 -1.923 4.096 -0.188 316 HG LEU 39 HG LEU 39 -2.065 3.742 2.280 317 HD11 LEU 39 HD11 LEU 39 -0.344 2.030 2.406 318 HD12 LEU 39 HD12 LEU 39 0.458 2.717 0.993 319 HD13 LEU 39 HD13 LEU 39 -1.148 2.007 0.838 320 HD21 LEU 39 HD21 LEU 39 0.695 4.949 2.251 321 HD22 LEU 39 HD22 LEU 39 -0.048 4.125 3.622 322 HD23 LEU 39 HD23 LEU 39 -0.742 5.628 3.015 323 H MET 40 HN MET 40 -0.848 4.840 -2.613 324 HA MET 40 HA MET 40 0.242 2.310 -3.121 325 HB2 MET 40 HB2 MET 40 -1.501 3.631 -4.453 326 HB3 MET 40 HB1 MET 40 -0.143 4.458 -5.197 327 HG2 MET 40 HG2 MET 40 -1.110 2.552 -6.495 328 HG3 MET 40 HG1 MET 40 0.629 2.485 -6.229 329 HE1 MET 40 HE1 MET 40 -0.462 -0.131 -7.219 330 HE2 MET 40 HE2 MET 40 -2.112 0.258 -6.721 331 HE3 MET 40 HE3 MET 40 -1.323 -1.187 -6.092 332 H ALA 41 HN ALA 41 1.497 5.550 -3.541 333 HA ALA 41 HA ALA 41 3.890 5.047 -4.844 334 HB1 ALA 41 HB1 ALA 41 3.091 7.299 -4.428 335 HB2 ALA 41 HB2 ALA 41 4.712 7.110 -3.760 336 HB3 ALA 41 HB3 ALA 41 3.307 7.088 -2.688 337 H ALA 42 HN ALA 42 3.225 5.049 -1.355 338 HA ALA 42 HA ALA 42 5.850 4.324 -0.573 339 HB1 ALA 42 HB1 ALA 42 3.274 3.923 0.941 340 HB2 ALA 42 HB2 ALA 42 4.219 5.410 0.922 341 HB3 ALA 42 HB3 ALA 42 4.901 3.940 1.617 342 H PHE 43 HN PHE 43 2.934 2.465 -1.290 343 HA PHE 43 HA PHE 43 3.884 -0.040 -0.415 344 HB2 PHE 43 HB2 PHE 43 1.511 0.360 -0.830 345 HB3 PHE 43 HB1 PHE 43 1.831 0.609 -2.543 346 HD1 PHE 43 HD2 PHE 43 2.310 -1.968 0.117 347 HD2 PHE 43 HD1 PHE 43 1.522 -1.149 -3.982 348 HE1 PHE 43 HE2 PHE 43 1.990 -4.370 -0.300 349 HE2 PHE 43 HE1 PHE 43 1.201 -3.551 -4.408 350 HZ PHE 43 HZ PHE 43 1.436 -5.166 -2.559 351 H ILE 44 HN ILE 44 4.031 1.571 -3.556 352 HA ILE 44 HA ILE 44 5.279 -0.558 -4.937 353 HB ILE 44 HB ILE 44 5.222 2.412 -5.488 354 HG12 ILE 44 HG12 ILE 44 3.788 0.092 -6.805 355 HG13 ILE 44 HG11 ILE 44 3.064 1.186 -5.632 356 HG21 ILE 44 HG21 ILE 44 6.284 0.210 -7.255 357 HG22 ILE 44 HG22 ILE 44 7.227 1.497 -6.504 358 HG23 ILE 44 HG23 ILE 44 6.035 1.886 -7.743 359 HD11 ILE 44 HD11 ILE 44 3.382 3.050 -7.166 360 HD12 ILE 44 HD12 ILE 44 2.430 1.763 -7.906 361 HD13 ILE 44 HD13 ILE 44 4.127 1.964 -8.339 362 H LYS 45 HN LYS 45 6.525 2.118 -3.024 363 HA LYS 45 HA LYS 45 9.268 1.692 -3.660 364 HB2 LYS 45 HB2 LYS 45 7.984 3.073 -1.298 365 HB3 LYS 45 HB1 LYS 45 9.705 3.115 -1.663 366 HG2 LYS 45 HG2 LYS 45 9.314 4.298 -3.700 367 HG3 LYS 45 HG1 LYS 45 7.568 4.102 -3.537 368 HD2 LYS 45 HD2 LYS 45 7.665 5.442 -1.445 369 HD3 LYS 45 HD1 LYS 45 9.384 5.712 -1.741 370 HE2 LYS 45 HE2 LYS 45 7.164 6.506 -3.620 371 HE3 LYS 45 HE1 LYS 45 7.956 7.592 -2.481 372 HZ1 LYS 45 HZ1 LYS 45 10.032 7.254 -3.610 373 HZ2 LYS 45 HZ2 LYS 45 8.863 7.765 -4.727 374 HZ3 LYS 45 HZ3 LYS 45 9.333 6.136 -4.675 375 H GLN 46 HN GLN 46 7.203 0.652 -0.965 376 HA GLN 46 HA GLN 46 9.342 -0.656 0.420 377 HB2 GLN 46 HB2 GLN 46 7.385 0.239 1.600 378 HB3 GLN 46 HB1 GLN 46 6.347 -0.903 0.760 379 HG2 GLN 46 HG2 GLN 46 7.370 -2.754 1.882 380 HG3 GLN 46 HG1 GLN 46 8.591 -1.703 2.596 381 HE21 GLN 46 HE21 GLN 46 8.022 -0.330 4.267 382 HE22 GLN 46 HE22 GLN 46 6.575 -0.551 5.192 383 H ARG 47 HN ARG 47 6.562 -1.808 -1.466 384 HA ARG 47 HA ARG 47 6.156 -3.700 -2.620 385 HB2 ARG 47 HB2 ARG 47 9.085 -3.382 -2.842 386 HB3 ARG 47 HB1 ARG 47 8.438 -4.956 -3.278 387 HG2 ARG 47 HG2 ARG 47 7.574 -2.322 -4.449 388 HG3 ARG 47 HG1 ARG 47 8.654 -3.491 -5.212 389 HD2 ARG 47 HD2 ARG 47 6.795 -5.172 -5.025 390 HD3 ARG 47 HD1 ARG 47 5.745 -3.850 -4.522 391 HE ARG 47 HE ARG 47 6.949 -3.083 -6.915 392 HH11 ARG 47 HH11 ARG 47 4.684 -5.504 -5.761 393 HH12 ARG 47 HH12 ARG 47 3.894 -5.690 -7.295 394 HH21 ARG 47 HH21 ARG 47 5.920 -3.364 -8.959 395 HH22 ARG 47 HH22 ARG 47 4.616 -4.502 -9.109 396 H THR 48 HN THR 48 5.100 -5.125 -1.342 397 HA THR 48 HA THR 48 6.474 -6.968 0.389 398 HB THR 48 HB THR 48 4.206 -8.208 0.158 399 HG1 THR 48 HG1 THR 48 2.885 -7.369 -1.264 400 HG21 THR 48 HG21 THR 48 4.790 -6.861 2.114 401 HG22 THR 48 HG22 THR 48 3.095 -6.626 1.684 402 HG23 THR 48 HG23 THR 48 4.291 -5.397 1.268 403 H ALA 49 HN ALA 49 7.895 -7.030 -1.843 404 HA ALA 49 HA ALA 49 6.795 -8.616 -3.961 405 HB1 ALA 49 HB1 ALA 49 9.602 -7.605 -3.576 406 HB2 ALA 49 HB2 ALA 49 8.295 -6.715 -4.358 407 HB3 ALA 49 HB3 ALA 49 8.900 -8.210 -5.076 408 H LYS 50 HN LYS 50 9.393 -9.099 -1.563 409 HA LYS 50 HA LYS 50 10.372 -10.986 -0.757 410 HB2 LYS 50 HB2 LYS 50 8.089 -11.815 -0.467 411 HB3 LYS 50 HB1 LYS 50 8.062 -12.373 -2.131 412 HG2 LYS 50 HG2 LYS 50 9.882 -13.955 -1.586 413 HG3 LYS 50 HG1 LYS 50 9.781 -13.437 0.099 414 HD2 LYS 50 HD2 LYS 50 7.341 -14.412 -1.336 415 HD3 LYS 50 HD1 LYS 50 8.497 -15.563 -0.671 416 HE2 LYS 50 HE2 LYS 50 6.644 -15.116 0.876 417 HE3 LYS 50 HE1 LYS 50 8.199 -14.628 1.546 418 HZ1 LYS 50 HZ1 LYS 50 6.265 -12.759 0.270 419 HZ2 LYS 50 HZ2 LYS 50 7.700 -12.348 1.084 420 HZ3 LYS 50 HZ3 LYS 50 6.405 -13.013 1.944 421 H TYR 51 HN TYR 51 12.185 -10.615 -2.018 422 HA TYR 51 HA TYR 51 13.890 -11.239 -3.372 423 HB2 TYR 51 HB2 TYR 51 12.179 -13.667 -3.940 424 HB3 TYR 51 HB1 TYR 51 13.853 -13.477 -4.442 425 HD1 TYR 51 HD1 TYR 51 15.660 -13.462 -2.728 426 HD2 TYR 51 HD2 TYR 51 11.606 -14.281 -1.721 427 HE1 TYR 51 HE1 TYR 51 16.391 -14.444 -0.593 428 HE2 TYR 51 HE2 TYR 51 12.325 -15.262 0.411 429 HH TYR 51 HH TYR 51 15.419 -14.863 1.665 430 H VAL 52 HN VAL 52 12.536 -9.304 -4.438 431 HA VAL 52 HA VAL 52 11.774 -10.066 -7.163 432 HB VAL 52 HB VAL 52 10.355 -8.470 -5.799 433 HG11 VAL 52 HG11 VAL 52 11.067 -6.105 -5.764 434 HG12 VAL 52 HG12 VAL 52 12.658 -6.604 -6.344 435 HG13 VAL 52 HG13 VAL 52 12.082 -7.150 -4.770 436 HG21 VAL 52 HG21 VAL 52 9.884 -6.995 -7.708 437 HG22 VAL 52 HG22 VAL 52 10.086 -8.676 -8.196 438 HG23 VAL 52 HG23 VAL 52 11.386 -7.517 -8.468 439 H ALA 53 HN ALA 53 14.418 -8.899 -5.402 440 HA ALA 53 HA ALA 53 15.599 -7.293 -7.463 441 HB1 ALA 53 HB1 ALA 53 16.077 -6.875 -5.097 442 HB2 ALA 53 HB2 ALA 53 17.551 -7.197 -6.012 443 HB3 ALA 53 HB3 ALA 53 16.862 -8.451 -4.979 444 H ASN 54 HN ASN 54 15.465 -8.778 -9.212 445 HA ASN 54 HA ASN 54 16.886 -11.232 -9.259 446 HB2 ASN 54 HB2 ASN 54 15.119 -10.862 -10.849 447 HB3 ASN 54 HB1 ASN 54 15.907 -9.420 -11.474 448 HD21 ASN 54 HD21 ASN 54 17.480 -9.616 -12.995 449 HD22 ASN 54 HD22 ASN 54 17.946 -11.119 -13.716 450 H GLN 55 HN GLN 55 17.741 -7.916 -9.927 451 HA GLN 55 HA GLN 55 20.356 -8.650 -10.927 452 HB2 GLN 55 HB2 GLN 55 20.741 -6.237 -11.111 453 HB3 GLN 55 HB1 GLN 55 19.227 -6.696 -11.881 454 HG2 GLN 55 HG2 GLN 55 17.976 -5.878 -9.981 455 HG3 GLN 55 HG1 GLN 55 19.471 -5.505 -9.126 456 HE21 GLN 55 HE21 GLN 55 19.005 -3.350 -8.924 457 HE22 GLN 55 HE22 GLN 55 19.036 -2.253 -10.265 458 HA PRO 56 HA PRO 56 22.164 -8.406 -6.830 459 HB2 PRO 56 HB2 PRO 56 24.697 -8.949 -7.523 460 HB3 PRO 56 HB1 PRO 56 23.447 -10.198 -7.557 461 HG2 PRO 56 HG2 PRO 56 24.616 -8.624 -9.813 462 HG3 PRO 56 HG1 PRO 56 24.186 -10.342 -9.753 463 HD2 PRO 56 HD2 PRO 56 22.618 -8.373 -10.889 464 HD3 PRO 56 HD1 PRO 56 22.002 -9.927 -10.293 465 H GLY 57 HN GLY 57 22.426 -6.282 -9.362 466 HA2 GLY 57 HA2 GLY 57 22.792 -3.949 -9.001 467 HA3 GLY 57 HA1 GLY 57 23.918 -4.361 -7.713 468 H MET 58 HN MET 58 26.035 -4.628 -8.168 469 HA MET 58 HA MET 58 26.913 -3.890 -10.836 470 HB2 MET 58 HB2 MET 58 29.158 -3.807 -9.859 471 HB3 MET 58 HB1 MET 58 28.023 -2.883 -8.885 472 HG2 MET 58 HG2 MET 58 27.870 -4.754 -7.313 473 HG3 MET 58 HG1 MET 58 29.039 -5.651 -8.282 474 HE1 MET 58 HE1 MET 58 30.574 -6.043 -6.208 475 HE2 MET 58 HE2 MET 58 29.416 -5.189 -5.189 476 HE3 MET 58 HE3 MET 58 31.127 -4.765 -5.128 477 H GLN 59 HN GLN 59 27.825 -5.235 -12.308 478 HA GLN 59 HA GLN 59 28.112 -8.055 -11.517 479 HB2 GLN 59 HB2 GLN 59 26.406 -7.614 -13.273 480 HB3 GLN 59 HB1 GLN 59 27.667 -6.932 -14.292 481 HG2 GLN 59 HG2 GLN 59 28.807 -9.083 -14.342 482 HG3 GLN 59 HG1 GLN 59 27.575 -9.767 -13.285 483 HE21 GLN 59 HE21 GLN 59 26.851 -7.499 -15.840 484 HE22 GLN 59 HE22 GLN 59 26.029 -8.624 -16.869 Start of MODEL 8 1 H2 PRO 1 HT1 PRO 1 -11.004 10.053 -8.426 2 H3 PRO 1 HT2 PRO 1 -12.442 9.507 -7.861 3 HA PRO 1 HA PRO 1 -12.709 11.097 -6.478 4 HB2 PRO 1 HB2 PRO 1 -10.173 11.944 -5.564 5 HB3 PRO 1 HB1 PRO 1 -11.372 10.991 -4.677 6 HG2 PRO 1 HG2 PRO 1 -9.011 10.085 -6.233 7 HG3 PRO 1 HG1 PRO 1 -9.752 9.368 -4.792 8 HD2 PRO 1 HD2 PRO 1 -10.082 8.237 -7.186 9 HD3 PRO 1 HD1 PRO 1 -11.429 8.306 -6.033 10 H ASN 2 HN ASN 2 -12.818 13.313 -6.810 11 HA ASN 2 HA ASN 2 -11.231 14.296 -9.089 12 HB2 ASN 2 HB2 ASN 2 -13.664 14.179 -9.493 13 HB3 ASN 2 HB1 ASN 2 -13.939 15.239 -8.116 14 HD21 ASN 2 HD21 ASN 2 -13.590 17.402 -8.313 15 HD22 ASN 2 HD22 ASN 2 -13.252 18.179 -9.820 16 H ARG 3 HN ARG 3 -9.519 15.254 -8.214 17 HA ARG 3 HA ARG 3 -8.219 16.786 -7.193 18 HB2 ARG 3 HB2 ARG 3 -9.740 18.486 -8.054 19 HB3 ARG 3 HB1 ARG 3 -10.793 18.274 -6.659 20 HG2 ARG 3 HG2 ARG 3 -8.957 19.017 -5.193 21 HG3 ARG 3 HG1 ARG 3 -7.959 19.289 -6.621 22 HD2 ARG 3 HD2 ARG 3 -9.501 20.973 -7.423 23 HD3 ARG 3 HD1 ARG 3 -10.590 20.655 -6.073 24 HE ARG 3 HE ARG 3 -7.916 21.424 -5.298 25 HH11 ARG 3 HH11 ARG 3 -11.115 22.588 -6.148 26 HH12 ARG 3 HH12 ARG 3 -10.954 24.057 -5.235 27 HH21 ARG 3 HH21 ARG 3 -7.707 23.342 -4.109 28 HH22 ARG 3 HH22 ARG 3 -9.006 24.499 -4.094 29 H SER 4 HN SER 4 -11.126 16.855 -5.133 30 HA SER 4 HA SER 4 -9.479 16.551 -2.771 31 HB2 SER 4 HB2 SER 4 -11.474 18.063 -2.808 32 HB3 SER 4 HB1 SER 4 -12.502 16.643 -3.010 33 HG SER 4 HG SER 4 -12.351 16.276 -0.953 34 H ILE 5 HN ILE 5 -8.770 14.597 -2.251 35 HA ILE 5 HA ILE 5 -9.922 12.220 -3.300 36 HB ILE 5 HB ILE 5 -7.824 12.548 -1.150 37 HG12 ILE 5 HG12 ILE 5 -7.576 12.025 -4.125 38 HG13 ILE 5 HG11 ILE 5 -7.224 13.552 -3.325 39 HG21 ILE 5 HG21 ILE 5 -8.856 10.350 -1.038 40 HG22 ILE 5 HG22 ILE 5 -7.221 10.218 -1.687 41 HG23 ILE 5 HG23 ILE 5 -8.610 10.125 -2.770 42 HD11 ILE 5 HD11 ILE 5 -5.186 12.365 -3.826 43 HD12 ILE 5 HD12 ILE 5 -5.759 10.954 -2.936 44 HD13 ILE 5 HD13 ILE 5 -5.418 12.457 -2.080 45 H SER 6 HN SER 6 -11.532 11.087 -2.552 46 HA SER 6 HA SER 6 -13.055 11.930 -0.343 47 HB2 SER 6 HB2 SER 6 -13.261 9.297 -1.815 48 HB3 SER 6 HB1 SER 6 -14.542 10.134 -0.935 49 HG SER 6 HG SER 6 -14.136 10.337 -3.450 50 HA PRO 7 HA PRO 7 -10.792 9.816 2.901 51 HB2 PRO 7 HB2 PRO 7 -13.202 10.526 4.463 52 HB3 PRO 7 HB1 PRO 7 -11.507 10.923 4.764 53 HG2 PRO 7 HG2 PRO 7 -13.223 12.780 3.912 54 HG3 PRO 7 HG1 PRO 7 -11.544 12.751 3.341 55 HD2 PRO 7 HD2 PRO 7 -14.032 11.814 1.965 56 HD3 PRO 7 HD1 PRO 7 -12.643 12.701 1.300 57 H SER 8 HN SER 8 -13.945 9.070 1.712 58 HA SER 8 HA SER 8 -14.632 6.892 3.331 59 HB2 SER 8 HB2 SER 8 -16.129 7.975 1.649 60 HB3 SER 8 HB1 SER 8 -15.196 7.197 0.372 61 HG SER 8 HG SER 8 -15.819 5.260 1.979 62 H ALA 9 HN ALA 9 -12.198 7.241 0.908 63 HA ALA 9 HA ALA 9 -11.860 4.529 0.193 64 HB1 ALA 9 HB1 ALA 9 -9.788 6.722 0.218 65 HB2 ALA 9 HB2 ALA 9 -10.915 6.397 -1.099 66 HB3 ALA 9 HB3 ALA 9 -9.694 5.201 -0.668 67 H LEU 10 HN LEU 10 -10.278 6.529 2.696 68 HA LEU 10 HA LEU 10 -8.593 4.418 3.591 69 HB2 LEU 10 HB2 LEU 10 -8.071 5.877 5.470 70 HB3 LEU 10 HB1 LEU 10 -7.966 6.722 3.947 71 HG LEU 10 HG LEU 10 -10.463 7.412 4.645 72 HD11 LEU 10 HD11 LEU 10 -10.428 6.190 6.746 73 HD12 LEU 10 HD12 LEU 10 -10.522 7.928 7.034 74 HD13 LEU 10 HD13 LEU 10 -8.991 7.078 7.256 75 HD21 LEU 10 HD21 LEU 10 -9.510 9.514 5.446 76 HD22 LEU 10 HD22 LEU 10 -8.665 8.928 4.014 77 HD23 LEU 10 HD23 LEU 10 -7.934 8.741 5.608 78 H GLN 11 HN GLN 11 -11.672 5.695 4.645 79 HA GLN 11 HA GLN 11 -12.102 4.077 6.869 80 HB2 GLN 11 HB2 GLN 11 -14.129 5.100 4.876 81 HB3 GLN 11 HB1 GLN 11 -14.503 4.472 6.478 82 HG2 GLN 11 HG2 GLN 11 -13.236 6.276 7.500 83 HG3 GLN 11 HG1 GLN 11 -12.810 6.895 5.906 84 HE21 GLN 11 HE21 GLN 11 -15.326 6.533 8.264 85 HE22 GLN 11 HE22 GLN 11 -16.430 7.664 7.552 86 H ASP 12 HN ASP 12 -12.799 3.453 3.441 87 HA ASP 12 HA ASP 12 -13.850 0.840 3.874 88 HB2 ASP 12 HB2 ASP 12 -14.272 2.209 1.821 89 HB3 ASP 12 HB1 ASP 12 -12.596 1.950 1.353 90 H LEU 13 HN LEU 13 -10.672 2.176 3.403 91 HA LEU 13 HA LEU 13 -9.226 -0.118 2.756 92 HB2 LEU 13 HB2 LEU 13 -8.301 2.139 2.624 93 HB3 LEU 13 HB1 LEU 13 -8.362 2.284 4.369 94 HG LEU 13 HG LEU 13 -6.719 0.430 4.546 95 HD11 LEU 13 HD11 LEU 13 -5.488 -0.239 2.537 96 HD12 LEU 13 HD12 LEU 13 -6.597 0.710 1.547 97 HD13 LEU 13 HD13 LEU 13 -7.191 -0.687 2.445 98 HD21 LEU 13 HD21 LEU 13 -5.856 2.790 2.875 99 HD22 LEU 13 HD22 LEU 13 -4.789 1.746 3.815 100 HD23 LEU 13 HD23 LEU 13 -5.985 2.750 4.633 101 H LEU 14 HN LEU 14 -10.174 1.191 5.878 102 HA LEU 14 HA LEU 14 -8.754 -0.498 7.583 103 HB2 LEU 14 HB2 LEU 14 -11.593 0.343 8.126 104 HB3 LEU 14 HB1 LEU 14 -10.267 0.176 9.265 105 HG LEU 14 HG LEU 14 -10.347 2.281 7.119 106 HD11 LEU 14 HD11 LEU 14 -12.240 2.567 8.654 107 HD12 LEU 14 HD12 LEU 14 -11.054 3.862 8.803 108 HD13 LEU 14 HD13 LEU 14 -11.120 2.582 10.018 109 HD21 LEU 14 HD21 LEU 14 -8.672 1.982 9.610 110 HD22 LEU 14 HD22 LEU 14 -8.634 3.361 8.511 111 HD23 LEU 14 HD23 LEU 14 -8.126 1.770 7.946 112 H ARG 15 HN ARG 15 -11.794 -0.907 5.919 113 HA ARG 15 HA ARG 15 -12.423 -3.477 6.989 114 HB2 ARG 15 HB2 ARG 15 -13.399 -2.126 4.465 115 HB3 ARG 15 HB1 ARG 15 -14.118 -3.553 5.200 116 HG2 ARG 15 HG2 ARG 15 -13.895 -0.884 6.569 117 HG3 ARG 15 HG1 ARG 15 -15.319 -1.437 5.687 118 HD2 ARG 15 HD2 ARG 15 -15.665 -3.229 7.207 119 HD3 ARG 15 HD1 ARG 15 -14.093 -2.971 7.964 120 HE ARG 15 HE ARG 15 -14.966 -0.943 8.928 121 HH11 ARG 15 HH11 ARG 15 -17.375 -3.005 7.428 122 HH12 ARG 15 HH12 ARG 15 -18.668 -2.439 8.445 123 HH21 ARG 15 HH21 ARG 15 -16.645 -0.204 10.256 124 HH22 ARG 15 HH22 ARG 15 -18.257 -0.834 10.058 125 H THR 16 HN THR 16 -10.792 -2.374 4.047 126 HA THR 16 HA THR 16 -10.763 -4.880 2.729 127 HB THR 16 HB THR 16 -9.107 -3.939 1.228 128 HG1 THR 16 HG1 THR 16 -8.743 -2.144 3.338 129 HG21 THR 16 HG21 THR 16 -11.382 -3.272 0.846 130 HG22 THR 16 HG22 THR 16 -10.280 -1.943 0.479 131 HG23 THR 16 HG23 THR 16 -11.206 -1.933 1.982 132 H LEU 17 HN LEU 17 -8.612 -3.360 4.989 133 HA LEU 17 HA LEU 17 -6.269 -4.755 4.435 134 HB2 LEU 17 HB2 LEU 17 -7.099 -3.456 7.013 135 HB3 LEU 17 HB1 LEU 17 -5.489 -4.027 6.613 136 HG LEU 17 HG LEU 17 -6.924 -1.864 5.098 137 HD11 LEU 17 HD11 LEU 17 -6.412 -1.136 7.363 138 HD12 LEU 17 HD12 LEU 17 -5.360 -0.336 6.195 139 HD13 LEU 17 HD13 LEU 17 -4.743 -1.670 7.170 140 HD21 LEU 17 HD21 LEU 17 -5.303 -3.093 3.758 141 HD22 LEU 17 HD22 LEU 17 -4.076 -2.856 5.003 142 HD23 LEU 17 HD23 LEU 17 -4.713 -1.470 4.118 143 H LYS 18 HN LYS 18 -9.053 -6.025 5.736 144 HA LYS 18 HA LYS 18 -8.021 -7.988 7.500 145 HB2 LYS 18 HB2 LYS 18 -10.507 -8.039 5.782 146 HB3 LYS 18 HB1 LYS 18 -10.154 -9.176 7.077 147 HG2 LYS 18 HG2 LYS 18 -10.551 -6.204 7.375 148 HG3 LYS 18 HG1 LYS 18 -11.695 -7.468 7.834 149 HD2 LYS 18 HD2 LYS 18 -8.914 -7.234 8.978 150 HD3 LYS 18 HD1 LYS 18 -10.338 -6.511 9.727 151 HE2 LYS 18 HE2 LYS 18 -10.161 -9.440 9.065 152 HE3 LYS 18 HE1 LYS 18 -9.610 -8.782 10.604 153 HZ1 LYS 18 HZ1 LYS 18 -12.355 -8.320 9.584 154 HZ2 LYS 18 HZ2 LYS 18 -11.769 -8.110 11.160 155 HZ3 LYS 18 HZ3 LYS 18 -11.954 -9.674 10.526 156 H SER 19 HN SER 19 -7.002 -7.516 4.603 157 HA SER 19 HA SER 19 -6.883 -9.664 2.991 158 HB2 SER 19 HB2 SER 19 -4.459 -8.951 2.632 159 HB3 SER 19 HB1 SER 19 -5.695 -7.712 2.427 160 HG SER 19 HG SER 19 -4.270 -6.732 3.698 161 HA PRO 20 HA PRO 20 -5.234 -13.475 3.255 162 HB2 PRO 20 HB2 PRO 20 -2.934 -12.501 4.943 163 HB3 PRO 20 HB1 PRO 20 -3.010 -13.940 3.908 164 HG2 PRO 20 HG2 PRO 20 -2.159 -11.414 3.059 165 HG3 PRO 20 HG1 PRO 20 -2.707 -12.717 1.990 166 HD2 PRO 20 HD2 PRO 20 -3.980 -10.223 2.316 167 HD3 PRO 20 HD1 PRO 20 -4.727 -11.675 1.604 168 H SER 21 HN SER 21 -7.185 -13.235 4.273 169 HA SER 21 HA SER 21 -7.644 -14.749 6.485 170 HB2 SER 21 HB2 SER 21 -6.648 -12.849 7.808 171 HB3 SER 21 HB1 SER 21 -7.885 -11.783 7.146 172 HG SER 21 HG SER 21 -8.617 -14.169 8.472 173 H SER 22 HN SER 22 -8.429 -11.920 4.632 174 HA SER 22 HA SER 22 -10.922 -13.193 3.751 175 HB2 SER 22 HB2 SER 22 -10.506 -10.228 4.235 176 HB3 SER 22 HB1 SER 22 -11.984 -10.985 3.645 177 HG SER 22 HG SER 22 -12.016 -10.533 5.910 178 HA PRO 23 HA PRO 23 -9.441 -12.827 -0.395 179 HB2 PRO 23 HB2 PRO 23 -11.704 -11.881 -1.659 180 HB3 PRO 23 HB1 PRO 23 -11.411 -13.569 -1.232 181 HG2 PRO 23 HG2 PRO 23 -12.991 -11.491 0.228 182 HG3 PRO 23 HG1 PRO 23 -13.382 -13.197 -0.062 183 HD2 PRO 23 HD2 PRO 23 -12.460 -12.395 2.305 184 HD3 PRO 23 HD1 PRO 23 -11.926 -13.938 1.600 185 H GLN 24 HN GLN 24 -10.362 -10.062 1.287 186 HA GLN 24 HA GLN 24 -10.941 -8.230 -0.737 187 HB2 GLN 24 HB2 GLN 24 -9.946 -7.730 2.064 188 HB3 GLN 24 HB1 GLN 24 -10.693 -6.527 1.021 189 HG2 GLN 24 HG2 GLN 24 -12.780 -7.624 1.089 190 HG3 GLN 24 HG1 GLN 24 -12.075 -9.069 1.813 191 HE21 GLN 24 HE21 GLN 24 -13.194 -5.834 2.373 192 HE22 GLN 24 HE22 GLN 24 -13.153 -5.910 4.104 193 H GLN 25 HN GLN 25 -7.829 -9.335 0.273 194 HA GLN 25 HA GLN 25 -6.312 -7.019 0.193 195 HB2 GLN 25 HB2 GLN 25 -5.330 -9.010 1.040 196 HB3 GLN 25 HB1 GLN 25 -5.570 -9.856 -0.482 197 HG2 GLN 25 HG2 GLN 25 -3.229 -9.234 -0.113 198 HG3 GLN 25 HG1 GLN 25 -3.903 -8.491 -1.560 199 HE21 GLN 25 HE21 GLN 25 -2.377 -6.855 -1.593 200 HE22 GLN 25 HE22 GLN 25 -2.374 -5.563 -0.446 201 H GLN 26 HN GLN 26 -6.786 -9.286 -2.567 202 HA GLN 26 HA GLN 26 -4.981 -7.790 -4.176 203 HB2 GLN 26 HB2 GLN 26 -6.953 -9.970 -4.850 204 HB3 GLN 26 HB1 GLN 26 -5.865 -9.259 -6.032 205 HG2 GLN 26 HG2 GLN 26 -4.966 -10.627 -3.507 206 HG3 GLN 26 HG1 GLN 26 -5.079 -11.408 -5.082 207 HE21 GLN 26 HE21 GLN 26 -2.747 -11.018 -3.402 208 HE22 GLN 26 HE22 GLN 26 -1.608 -10.121 -4.349 209 H GLN 27 HN GLN 27 -8.525 -8.170 -4.335 210 HA GLN 27 HA GLN 27 -8.749 -6.256 -6.438 211 HB2 GLN 27 HB2 GLN 27 -10.834 -7.493 -4.645 212 HB3 GLN 27 HB1 GLN 27 -11.197 -6.468 -6.028 213 HG2 GLN 27 HG2 GLN 27 -10.207 -8.067 -7.531 214 HG3 GLN 27 HG1 GLN 27 -9.674 -9.061 -6.175 215 HE21 GLN 27 HE21 GLN 27 -10.812 -10.848 -6.943 216 HE22 GLN 27 HE22 GLN 27 -12.541 -10.946 -6.830 217 H GLN 28 HN GLN 28 -9.713 -6.151 -3.005 218 HA GLN 28 HA GLN 28 -10.687 -3.481 -3.315 219 HB2 GLN 28 HB2 GLN 28 -10.636 -5.432 -1.064 220 HB3 GLN 28 HB1 GLN 28 -10.956 -3.738 -0.725 221 HG2 GLN 28 HG2 GLN 28 -13.051 -4.779 -0.972 222 HG3 GLN 28 HG1 GLN 28 -12.784 -3.838 -2.434 223 HE21 GLN 28 HE21 GLN 28 -11.302 -6.935 -1.726 224 HE22 GLN 28 HE22 GLN 28 -12.124 -7.821 -2.962 225 H VAL 29 HN VAL 29 -7.956 -4.850 -1.440 226 HA VAL 29 HA VAL 29 -7.335 -2.341 -0.261 227 HB VAL 29 HB VAL 29 -5.442 -4.693 -0.534 228 HG11 VAL 29 HG11 VAL 29 -4.280 -2.685 0.101 229 HG12 VAL 29 HG12 VAL 29 -4.459 -3.703 1.537 230 HG13 VAL 29 HG13 VAL 29 -5.520 -2.310 1.303 231 HG21 VAL 29 HG21 VAL 29 -6.174 -5.391 1.653 232 HG22 VAL 29 HG22 VAL 29 -7.577 -5.296 0.584 233 HG23 VAL 29 HG23 VAL 29 -7.269 -4.012 1.760 234 H LEU 30 HN LEU 30 -5.938 -4.116 -2.988 235 HA LEU 30 HA LEU 30 -3.866 -2.354 -3.585 236 HB2 LEU 30 HB2 LEU 30 -4.158 -4.621 -4.540 237 HB3 LEU 30 HB1 LEU 30 -5.490 -4.027 -5.505 238 HG LEU 30 HG LEU 30 -2.796 -2.757 -5.816 239 HD11 LEU 30 HD11 LEU 30 -2.229 -4.424 -7.524 240 HD12 LEU 30 HD12 LEU 30 -3.659 -5.358 -7.080 241 HD13 LEU 30 HD13 LEU 30 -2.346 -5.147 -5.920 242 HD21 LEU 30 HD21 LEU 30 -5.094 -3.321 -7.693 243 HD22 LEU 30 HD22 LEU 30 -3.591 -2.513 -8.137 244 HD23 LEU 30 HD23 LEU 30 -4.686 -1.762 -6.976 245 H ASN 31 HN ASN 31 -7.262 -2.296 -4.501 246 HA ASN 31 HA ASN 31 -7.132 -0.193 -6.370 247 HB2 ASN 31 HB2 ASN 31 -9.078 -1.592 -6.320 248 HB3 ASN 31 HB1 ASN 31 -9.384 -1.209 -4.630 249 HD21 ASN 31 HD21 ASN 31 -9.501 -0.040 -7.899 250 HD22 ASN 31 HD22 ASN 31 -10.596 1.268 -7.598 251 H ILE 32 HN ILE 32 -7.495 -0.231 -2.864 252 HA ILE 32 HA ILE 32 -8.171 2.552 -2.726 253 HB ILE 32 HB ILE 32 -7.470 0.559 -0.567 254 HG12 ILE 32 HG12 ILE 32 -10.057 1.893 -1.410 255 HG13 ILE 32 HG11 ILE 32 -9.609 0.217 -1.714 256 HG21 ILE 32 HG21 ILE 32 -8.201 2.274 1.035 257 HG22 ILE 32 HG22 ILE 32 -8.370 3.437 -0.279 258 HG23 ILE 32 HG23 ILE 32 -6.779 2.804 0.135 259 HD11 ILE 32 HD11 ILE 32 -11.157 0.400 0.134 260 HD12 ILE 32 HD12 ILE 32 -10.036 1.468 0.981 261 HD13 ILE 32 HD13 ILE 32 -9.596 -0.213 0.677 262 H LEU 33 HN LEU 33 -5.241 0.629 -2.066 263 HA LEU 33 HA LEU 33 -3.694 2.698 -1.011 264 HB2 LEU 33 HB2 LEU 33 -3.052 0.171 -2.458 265 HB3 LEU 33 HB1 LEU 33 -1.773 1.318 -2.145 266 HG LEU 33 HG LEU 33 -1.950 -0.591 -0.520 267 HD11 LEU 33 HD11 LEU 33 -2.222 2.168 0.646 268 HD12 LEU 33 HD12 LEU 33 -0.732 1.425 0.067 269 HD13 LEU 33 HD13 LEU 33 -1.565 0.756 1.472 270 HD21 LEU 33 HD21 LEU 33 -3.618 -0.482 1.225 271 HD22 LEU 33 HD22 LEU 33 -4.361 -0.717 -0.357 272 HD23 LEU 33 HD23 LEU 33 -4.402 0.872 0.410 273 H LYS 34 HN LYS 34 -4.515 1.895 -4.292 274 HA LYS 34 HA LYS 34 -2.541 3.401 -5.604 275 HB2 LYS 34 HB2 LYS 34 -3.865 1.586 -6.631 276 HB3 LYS 34 HB1 LYS 34 -5.293 2.602 -6.567 277 HG2 LYS 34 HG2 LYS 34 -2.904 3.625 -8.008 278 HG3 LYS 34 HG1 LYS 34 -3.861 2.349 -8.761 279 HD2 LYS 34 HD2 LYS 34 -5.870 3.738 -8.536 280 HD3 LYS 34 HD1 LYS 34 -4.897 5.011 -7.796 281 HE2 LYS 34 HE2 LYS 34 -3.582 5.195 -9.849 282 HE3 LYS 34 HE1 LYS 34 -4.558 3.927 -10.589 283 HZ1 LYS 34 HZ1 LYS 34 -5.616 6.516 -9.597 284 HZ2 LYS 34 HZ2 LYS 34 -6.491 5.317 -10.415 285 HZ3 LYS 34 HZ3 LYS 34 -5.270 6.173 -11.221 286 H SER 35 HN SER 35 -5.431 4.446 -3.998 287 HA SER 35 HA SER 35 -5.778 6.760 -5.716 288 HB2 SER 35 HB2 SER 35 -7.324 5.978 -3.244 289 HB3 SER 35 HB1 SER 35 -7.806 7.154 -4.467 290 HG SER 35 HG SER 35 -7.226 4.864 -5.691 291 H ASN 36 HN ASN 36 -4.187 6.158 -2.695 292 HA ASN 36 HA ASN 36 -3.377 8.856 -2.318 293 HB2 ASN 36 HB2 ASN 36 -5.695 9.210 -1.602 294 HB3 ASN 36 HB1 ASN 36 -5.552 7.888 -0.444 295 HD21 ASN 36 HD21 ASN 36 -4.632 11.155 -1.195 296 HD22 ASN 36 HD22 ASN 36 -4.076 11.586 0.387 297 HA PRO 37 HA PRO 37 -1.926 5.531 1.186 298 HB2 PRO 37 HB2 PRO 37 -3.184 3.358 -0.415 299 HB3 PRO 37 HB1 PRO 37 -2.808 3.420 1.312 300 HG2 PRO 37 HG2 PRO 37 -5.282 3.827 0.533 301 HG3 PRO 37 HG1 PRO 37 -4.569 4.886 1.769 302 HD2 PRO 37 HD2 PRO 37 -5.036 5.406 -1.133 303 HD3 PRO 37 HD1 PRO 37 -5.244 6.493 0.253 304 H GLN 38 HN GLN 38 -1.467 6.413 -1.833 305 HA GLN 38 HA GLN 38 -0.601 4.463 -3.494 306 HB2 GLN 38 HB2 GLN 38 0.501 7.267 -3.339 307 HB3 GLN 38 HB1 GLN 38 0.604 6.202 -4.731 308 HG2 GLN 38 HG2 GLN 38 -1.824 6.224 -4.934 309 HG3 GLN 38 HG1 GLN 38 -1.934 7.286 -3.532 310 HE21 GLN 38 HE21 GLN 38 -1.236 9.423 -3.708 311 HE22 GLN 38 HE22 GLN 38 -1.033 10.190 -5.242 312 H LEU 39 HN LEU 39 1.200 5.557 -0.768 313 HA LEU 39 HA LEU 39 3.809 4.953 -1.391 314 HB2 LEU 39 HB2 LEU 39 2.691 5.581 0.859 315 HB3 LEU 39 HB1 LEU 39 2.458 3.860 1.074 316 HG LEU 39 HG LEU 39 4.441 4.858 2.261 317 HD11 LEU 39 HD11 LEU 39 5.940 3.022 1.777 318 HD12 LEU 39 HD12 LEU 39 5.078 2.687 0.274 319 HD13 LEU 39 HD13 LEU 39 4.270 2.456 1.826 320 HD21 LEU 39 HD21 LEU 39 6.456 5.291 0.950 321 HD22 LEU 39 HD22 LEU 39 5.157 6.406 0.533 322 HD23 LEU 39 HD23 LEU 39 5.539 5.058 -0.538 323 H MET 40 HN MET 40 1.079 2.674 -0.981 324 HA MET 40 HA MET 40 2.543 0.269 -1.120 325 HB2 MET 40 HB2 MET 40 0.148 0.283 -0.579 326 HB3 MET 40 HB1 MET 40 -0.221 0.782 -2.226 327 HG2 MET 40 HG2 MET 40 1.017 -1.346 -2.927 328 HG3 MET 40 HG1 MET 40 0.831 -1.851 -1.255 329 HE1 MET 40 HE1 MET 40 -2.478 -1.338 -4.405 330 HE2 MET 40 HE2 MET 40 -0.744 -1.379 -4.722 331 HE3 MET 40 HE3 MET 40 -1.461 0.012 -3.908 332 H ALA 41 HN ALA 41 1.549 2.490 -3.656 333 HA ALA 41 HA ALA 41 1.945 0.822 -5.870 334 HB1 ALA 41 HB1 ALA 41 2.282 2.851 -7.170 335 HB2 ALA 41 HB2 ALA 41 2.527 3.778 -5.689 336 HB3 ALA 41 HB3 ALA 41 0.951 3.063 -6.033 337 H ALA 42 HN ALA 42 4.234 2.838 -4.075 338 HA ALA 42 HA ALA 42 6.550 2.021 -5.509 339 HB1 ALA 42 HB1 ALA 42 6.307 3.108 -2.702 340 HB2 ALA 42 HB2 ALA 42 6.506 4.068 -4.168 341 HB3 ALA 42 HB3 ALA 42 7.797 2.989 -3.639 342 H PHE 43 HN PHE 43 4.879 0.885 -2.648 343 HA PHE 43 HA PHE 43 6.632 -1.058 -1.710 344 HB2 PHE 43 HB2 PHE 43 4.800 -0.438 -0.361 345 HB3 PHE 43 HB1 PHE 43 3.643 -0.718 -1.645 346 HD1 PHE 43 HD1 PHE 43 6.264 -2.991 -0.244 347 HD2 PHE 43 HD2 PHE 43 2.114 -2.189 -0.806 348 HE1 PHE 43 HE1 PHE 43 5.707 -5.171 0.750 349 HE2 PHE 43 HE2 PHE 43 1.553 -4.367 0.182 350 HZ PHE 43 HZ PHE 43 3.352 -5.866 0.959 351 H ILE 44 HN ILE 44 4.086 -1.354 -4.188 352 HA ILE 44 HA ILE 44 4.521 -4.109 -4.709 353 HB ILE 44 HB ILE 44 3.335 -1.986 -6.507 354 HG12 ILE 44 HG12 ILE 44 2.026 -4.046 -4.711 355 HG13 ILE 44 HG11 ILE 44 2.085 -2.311 -4.421 356 HG21 ILE 44 HG21 ILE 44 4.120 -3.883 -7.811 357 HG22 ILE 44 HG22 ILE 44 2.358 -3.851 -7.767 358 HG23 ILE 44 HG23 ILE 44 3.243 -4.994 -6.757 359 HD11 ILE 44 HD11 ILE 44 -0.083 -3.021 -5.278 360 HD12 ILE 44 HD12 ILE 44 0.697 -3.651 -6.730 361 HD13 ILE 44 HD13 ILE 44 0.723 -1.919 -6.394 362 H LYS 45 HN LYS 45 5.712 -1.153 -6.265 363 HA LYS 45 HA LYS 45 7.114 -2.440 -8.348 364 HB2 LYS 45 HB2 LYS 45 7.429 0.286 -7.095 365 HB3 LYS 45 HB1 LYS 45 8.342 -0.233 -8.505 366 HG2 LYS 45 HG2 LYS 45 6.306 -0.498 -9.771 367 HG3 LYS 45 HG1 LYS 45 5.338 -0.110 -8.349 368 HD2 LYS 45 HD2 LYS 45 5.486 1.822 -9.797 369 HD3 LYS 45 HD1 LYS 45 6.358 2.133 -8.296 370 HE2 LYS 45 HE2 LYS 45 7.635 2.956 -10.178 371 HE3 LYS 45 HE1 LYS 45 8.470 1.588 -9.443 372 HZ1 LYS 45 HZ1 LYS 45 7.608 0.163 -11.195 373 HZ2 LYS 45 HZ2 LYS 45 8.493 1.447 -11.849 374 HZ3 LYS 45 HZ3 LYS 45 6.800 1.480 -11.900 375 H GLN 46 HN GLN 46 8.031 -1.486 -5.098 376 HA GLN 46 HA GLN 46 10.804 -2.142 -5.374 377 HB2 GLN 46 HB2 GLN 46 9.972 -0.535 -3.693 378 HB3 GLN 46 HB1 GLN 46 9.097 -1.833 -2.893 379 HG2 GLN 46 HG2 GLN 46 11.203 -2.941 -2.375 380 HG3 GLN 46 HG1 GLN 46 12.086 -1.651 -3.192 381 HE21 GLN 46 HE21 GLN 46 12.164 0.393 -2.261 382 HE22 GLN 46 HE22 GLN 46 11.812 0.650 -0.587 383 H ARG 47 HN ARG 47 7.904 -3.847 -4.521 384 HA ARG 47 HA ARG 47 7.433 -5.984 -3.953 385 HB2 ARG 47 HB2 ARG 47 8.663 -6.341 -6.135 386 HB3 ARG 47 HB1 ARG 47 10.096 -6.702 -5.181 387 HG2 ARG 47 HG2 ARG 47 8.996 -8.593 -4.164 388 HG3 ARG 47 HG1 ARG 47 7.491 -8.197 -4.997 389 HD2 ARG 47 HD2 ARG 47 8.692 -8.496 -7.161 390 HD3 ARG 47 HD1 ARG 47 10.092 -9.060 -6.248 391 HE ARG 47 HE ARG 47 8.432 -10.807 -5.356 392 HH11 ARG 47 HH11 ARG 47 8.394 -9.456 -8.596 393 HH12 ARG 47 HH12 ARG 47 7.653 -10.859 -9.309 394 HH21 ARG 47 HH21 ARG 47 7.456 -12.663 -6.308 395 HH22 ARG 47 HH22 ARG 47 7.085 -12.656 -8.007 396 H THR 48 HN THR 48 7.868 -4.979 -1.797 397 HA THR 48 HA THR 48 10.228 -5.744 -0.373 398 HB THR 48 HB THR 48 7.654 -4.954 0.961 399 HG1 THR 48 HG1 THR 48 9.388 -2.964 -0.038 400 HG21 THR 48 HG21 THR 48 10.544 -4.221 1.460 401 HG22 THR 48 HG22 THR 48 9.624 -5.433 2.352 402 HG23 THR 48 HG23 THR 48 9.169 -3.731 2.448 403 H ALA 49 HN ALA 49 10.179 -7.125 1.549 404 HA ALA 49 HA ALA 49 9.826 -9.072 2.648 405 HB1 ALA 49 HB1 ALA 49 7.607 -8.155 3.120 406 HB2 ALA 49 HB2 ALA 49 7.545 -9.904 2.902 407 HB3 ALA 49 HB3 ALA 49 7.002 -8.834 1.609 408 H LYS 50 HN LYS 50 10.904 -9.144 0.050 409 HA LYS 50 HA LYS 50 9.764 -11.082 -1.648 410 HB2 LYS 50 HB2 LYS 50 11.525 -9.481 -2.312 411 HB3 LYS 50 HB1 LYS 50 12.673 -10.331 -1.289 412 HG2 LYS 50 HG2 LYS 50 12.365 -12.347 -2.678 413 HG3 LYS 50 HG1 LYS 50 11.306 -11.418 -3.739 414 HD2 LYS 50 HD2 LYS 50 13.571 -11.536 -4.646 415 HD3 LYS 50 HD1 LYS 50 13.144 -9.876 -4.227 416 HE2 LYS 50 HE2 LYS 50 14.406 -10.032 -2.169 417 HE3 LYS 50 HE1 LYS 50 14.758 -11.731 -2.480 418 HZ1 LYS 50 HZ1 LYS 50 16.609 -10.235 -3.040 419 HZ2 LYS 50 HZ2 LYS 50 15.641 -9.486 -4.215 420 HZ3 LYS 50 HZ3 LYS 50 16.062 -11.122 -4.379 421 H TYR 51 HN TYR 51 11.336 -11.405 1.351 422 HA TYR 51 HA TYR 51 12.596 -13.910 1.041 423 HB2 TYR 51 HB2 TYR 51 13.082 -12.260 2.840 424 HB3 TYR 51 HB1 TYR 51 11.526 -12.634 3.561 425 HD1 TYR 51 HD1 TYR 51 14.888 -13.961 2.828 426 HD2 TYR 51 HD2 TYR 51 11.237 -14.565 4.931 427 HE1 TYR 51 HE1 TYR 51 15.956 -15.724 4.168 428 HE2 TYR 51 HE2 TYR 51 12.294 -16.334 6.269 429 HH TYR 51 HH TYR 51 15.690 -16.841 6.286 430 H VAL 52 HN VAL 52 9.312 -13.009 1.571 431 HA VAL 52 HA VAL 52 8.530 -15.799 1.673 432 HB VAL 52 HB VAL 52 8.894 -15.373 4.018 433 HG11 VAL 52 HG11 VAL 52 8.714 -12.967 4.071 434 HG12 VAL 52 HG12 VAL 52 7.608 -13.676 5.246 435 HG13 VAL 52 HG13 VAL 52 6.990 -13.058 3.715 436 HG21 VAL 52 HG21 VAL 52 7.022 -16.812 3.441 437 HG22 VAL 52 HG22 VAL 52 5.948 -15.415 3.379 438 HG23 VAL 52 HG23 VAL 52 6.678 -15.901 4.909 439 H ALA 53 HN ALA 53 7.486 -12.422 1.640 440 HA ALA 53 HA ALA 53 5.643 -11.365 0.897 441 HB1 ALA 53 HB1 ALA 53 4.453 -12.247 -1.033 442 HB2 ALA 53 HB2 ALA 53 5.209 -13.824 -0.805 443 HB3 ALA 53 HB3 ALA 53 6.192 -12.429 -1.247 444 H ASN 54 HN ASN 54 4.025 -14.425 0.416 445 HA ASN 54 HA ASN 54 2.612 -14.107 2.978 446 HB2 ASN 54 HB2 ASN 54 1.387 -14.596 0.260 447 HB3 ASN 54 HB1 ASN 54 0.532 -14.932 1.759 448 HD21 ASN 54 HD21 ASN 54 -0.004 -13.025 -0.426 449 HD22 ASN 54 HD22 ASN 54 -0.114 -11.474 0.330 450 H GLN 55 HN GLN 55 4.225 -16.100 0.745 451 HA GLN 55 HA GLN 55 3.195 -18.529 2.043 452 HB2 GLN 55 HB2 GLN 55 4.300 -18.122 -0.735 453 HB3 GLN 55 HB1 GLN 55 3.991 -19.706 -0.037 454 HG2 GLN 55 HG2 GLN 55 1.909 -17.565 -0.409 455 HG3 GLN 55 HG1 GLN 55 2.190 -18.899 -1.525 456 HE21 GLN 55 HE21 GLN 55 1.020 -18.000 1.636 457 HE22 GLN 55 HE22 GLN 55 0.199 -19.489 1.968 458 HA PRO 56 HA PRO 56 7.295 -18.860 3.830 459 HB2 PRO 56 HB2 PRO 56 6.337 -21.617 4.347 460 HB3 PRO 56 HB1 PRO 56 6.983 -20.421 5.475 461 HG2 PRO 56 HG2 PRO 56 4.379 -20.997 5.439 462 HG3 PRO 56 HG1 PRO 56 4.949 -19.337 5.700 463 HD2 PRO 56 HD2 PRO 56 3.817 -20.586 3.226 464 HD3 PRO 56 HD1 PRO 56 3.544 -18.964 3.896 465 H GLY 57 HN GLY 57 9.200 -19.681 3.077 466 HA2 GLY 57 HA2 GLY 57 8.969 -21.431 0.706 467 HA3 GLY 57 HA1 GLY 57 10.145 -20.135 0.850 468 H MET 58 HN MET 58 9.199 -22.678 3.154 469 HA MET 58 HA MET 58 11.984 -23.238 3.679 470 HB2 MET 58 HB2 MET 58 9.446 -24.523 4.710 471 HB3 MET 58 HB1 MET 58 11.062 -24.956 5.248 472 HG2 MET 58 HG2 MET 58 9.795 -22.242 5.536 473 HG3 MET 58 HG1 MET 58 9.927 -23.455 6.808 474 HE1 MET 58 HE1 MET 58 12.844 -24.647 6.191 475 HE2 MET 58 HE2 MET 58 12.240 -24.290 7.809 476 HE3 MET 58 HE3 MET 58 13.813 -23.676 7.300 477 H GLN 59 HN GLN 59 13.161 -24.598 2.551 478 HA GLN 59 HA GLN 59 12.487 -27.222 1.949 479 HB2 GLN 59 HB2 GLN 59 10.999 -26.070 0.239 480 HB3 GLN 59 HB1 GLN 59 12.472 -25.512 -0.544 481 HG2 GLN 59 HG2 GLN 59 11.616 -27.499 -1.636 482 HG3 GLN 59 HG1 GLN 59 13.178 -27.823 -0.881 483 HE21 GLN 59 HE21 GLN 59 12.850 -30.024 -0.709 484 HE22 GLN 59 HE22 GLN 59 11.703 -30.715 0.395 Start of MODEL 9 1 H2 PRO 1 HT1 PRO 1 -10.240 19.342 4.404 2 H3 PRO 1 HT2 PRO 1 -11.765 19.078 4.938 3 HA PRO 1 HA PRO 1 -12.592 19.491 3.064 4 HB2 PRO 1 HB2 PRO 1 -11.671 21.880 2.041 5 HB3 PRO 1 HB1 PRO 1 -13.051 21.710 3.138 6 HG2 PRO 1 HG2 PRO 1 -10.226 22.439 3.752 7 HG3 PRO 1 HG1 PRO 1 -11.727 23.052 4.465 8 HD2 PRO 1 HD2 PRO 1 -10.178 21.268 5.750 9 HD3 PRO 1 HD1 PRO 1 -11.944 21.249 5.891 10 H ASN 2 HN ASN 2 -11.141 17.703 2.443 11 HA ASN 2 HA ASN 2 -9.734 16.658 1.005 12 HB2 ASN 2 HB2 ASN 2 -11.090 18.161 -0.599 13 HB3 ASN 2 HB1 ASN 2 -9.662 19.187 -0.648 14 HD21 ASN 2 HD21 ASN 2 -10.958 16.045 -1.438 15 HD22 ASN 2 HD22 ASN 2 -9.738 15.612 -2.584 16 H ARG 3 HN ARG 3 -7.612 18.064 -0.596 17 HA ARG 3 HA ARG 3 -5.441 18.696 -0.396 18 HB2 ARG 3 HB2 ARG 3 -6.234 20.615 0.909 19 HB3 ARG 3 HB1 ARG 3 -6.242 19.640 2.368 20 HG2 ARG 3 HG2 ARG 3 -3.824 19.400 2.236 21 HG3 ARG 3 HG1 ARG 3 -3.807 20.358 0.756 22 HD2 ARG 3 HD2 ARG 3 -4.772 21.319 3.445 23 HD3 ARG 3 HD1 ARG 3 -3.193 21.673 2.746 24 HE ARG 3 HE ARG 3 -5.219 22.459 0.941 25 HH11 ARG 3 HH11 ARG 3 -3.904 23.366 4.062 26 HH12 ARG 3 HH12 ARG 3 -4.229 25.061 3.846 27 HH21 ARG 3 HH21 ARG 3 -5.683 24.679 0.679 28 HH22 ARG 3 HH22 ARG 3 -5.251 25.809 1.930 29 H SER 4 HN SER 4 -6.286 17.571 2.883 30 HA SER 4 HA SER 4 -4.092 15.664 2.804 31 HB2 SER 4 HB2 SER 4 -4.963 15.173 5.168 32 HB3 SER 4 HB1 SER 4 -4.300 16.784 4.889 33 HG SER 4 HG SER 4 -6.585 16.308 5.925 34 H ILE 5 HN ILE 5 -4.356 13.565 2.269 35 HA ILE 5 HA ILE 5 -6.763 12.662 1.143 36 HB ILE 5 HB ILE 5 -5.696 10.416 1.080 37 HG12 ILE 5 HG12 ILE 5 -3.385 11.827 2.437 38 HG13 ILE 5 HG11 ILE 5 -4.418 10.618 3.190 39 HG21 ILE 5 HG21 ILE 5 -3.870 11.080 -0.436 40 HG22 ILE 5 HG22 ILE 5 -4.031 12.741 0.130 41 HG23 ILE 5 HG23 ILE 5 -5.363 11.969 -0.731 42 HD11 ILE 5 HD11 ILE 5 -2.318 9.637 2.503 43 HD12 ILE 5 HD12 ILE 5 -2.583 10.176 0.844 44 HD13 ILE 5 HD13 ILE 5 -3.644 8.960 1.557 45 H SER 6 HN SER 6 -8.451 11.622 1.907 46 HA SER 6 HA SER 6 -9.068 11.560 4.622 47 HB2 SER 6 HB2 SER 6 -10.353 9.814 2.524 48 HB3 SER 6 HB1 SER 6 -11.100 10.527 3.952 49 HG SER 6 HG SER 6 -11.635 11.661 2.038 50 HA PRO 7 HA PRO 7 -6.766 7.897 5.824 51 HB2 PRO 7 HB2 PRO 7 -8.422 8.154 8.264 52 HB3 PRO 7 HB1 PRO 7 -6.663 8.116 8.098 53 HG2 PRO 7 HG2 PRO 7 -7.947 10.381 8.690 54 HG3 PRO 7 HG1 PRO 7 -6.530 10.378 7.622 55 HD2 PRO 7 HD2 PRO 7 -9.437 10.564 6.917 56 HD3 PRO 7 HD1 PRO 7 -8.052 11.435 6.226 57 H SER 8 HN SER 8 -10.220 8.319 5.882 58 HA SER 8 HA SER 8 -10.921 5.651 6.512 59 HB2 SER 8 HB2 SER 8 -12.559 7.669 4.967 60 HB3 SER 8 HB1 SER 8 -13.158 6.292 5.892 61 HG SER 8 HG SER 8 -12.903 8.686 6.786 62 H ALA 9 HN ALA 9 -9.758 7.133 3.641 63 HA ALA 9 HA ALA 9 -10.929 5.366 1.747 64 HB1 ALA 9 HB1 ALA 9 -10.037 7.540 1.091 65 HB2 ALA 9 HB2 ALA 9 -9.255 6.238 0.191 66 HB3 ALA 9 HB3 ALA 9 -8.411 7.014 1.533 67 H LEU 10 HN LEU 10 -7.783 5.437 3.394 68 HA LEU 10 HA LEU 10 -6.801 3.103 2.097 69 HB2 LEU 10 HB2 LEU 10 -4.988 3.203 3.736 70 HB3 LEU 10 HB1 LEU 10 -5.272 4.741 2.966 71 HG LEU 10 HG LEU 10 -6.744 5.084 5.184 72 HD11 LEU 10 HD11 LEU 10 -4.472 3.281 6.008 73 HD12 LEU 10 HD12 LEU 10 -6.193 2.909 6.118 74 HD13 LEU 10 HD13 LEU 10 -5.508 4.201 7.102 75 HD21 LEU 10 HD21 LEU 10 -3.773 5.521 4.926 76 HD22 LEU 10 HD22 LEU 10 -4.835 6.328 6.079 77 HD23 LEU 10 HD23 LEU 10 -5.042 6.600 4.350 78 H GLN 11 HN GLN 11 -8.388 3.718 5.128 79 HA GLN 11 HA GLN 11 -8.229 1.173 6.280 80 HB2 GLN 11 HB2 GLN 11 -10.442 3.224 6.493 81 HB3 GLN 11 HB1 GLN 11 -10.283 1.818 7.534 82 HG2 GLN 11 HG2 GLN 11 -8.184 3.950 7.299 83 HG3 GLN 11 HG1 GLN 11 -9.484 3.988 8.488 84 HE21 GLN 11 HE21 GLN 11 -8.119 3.891 10.210 85 HE22 GLN 11 HE22 GLN 11 -7.232 2.462 10.641 86 H ASP 12 HN ASP 12 -10.739 2.597 4.215 87 HA ASP 12 HA ASP 12 -12.368 0.287 4.058 88 HB2 ASP 12 HB2 ASP 12 -12.945 2.731 3.448 89 HB3 ASP 12 HB1 ASP 12 -12.173 2.393 1.907 90 H LEU 13 HN LEU 13 -9.550 1.326 2.467 91 HA LEU 13 HA LEU 13 -9.683 0.001 0.018 92 HB2 LEU 13 HB2 LEU 13 -8.140 1.796 0.454 93 HB3 LEU 13 HB1 LEU 13 -7.371 0.893 1.737 94 HG LEU 13 HG LEU 13 -7.248 -0.273 -0.994 95 HD11 LEU 13 HD11 LEU 13 -5.336 1.165 -1.552 96 HD12 LEU 13 HD12 LEU 13 -5.643 2.127 -0.104 97 HD13 LEU 13 HD13 LEU 13 -6.828 2.095 -1.412 98 HD21 LEU 13 HD21 LEU 13 -5.210 0.061 1.210 99 HD22 LEU 13 HD22 LEU 13 -5.037 -0.920 -0.246 100 HD23 LEU 13 HD23 LEU 13 -6.227 -1.361 0.979 101 H LEU 14 HN LEU 14 -8.073 -0.991 3.033 102 HA LEU 14 HA LEU 14 -7.360 -3.603 2.068 103 HB2 LEU 14 HB2 LEU 14 -7.641 -2.954 4.975 104 HB3 LEU 14 HB1 LEU 14 -6.401 -3.897 4.166 105 HG LEU 14 HG LEU 14 -6.454 -1.058 3.420 106 HD11 LEU 14 HD11 LEU 14 -5.779 -1.892 6.233 107 HD12 LEU 14 HD12 LEU 14 -7.005 -0.724 5.721 108 HD13 LEU 14 HD13 LEU 14 -5.293 -0.361 5.503 109 HD21 LEU 14 HD21 LEU 14 -4.276 -2.933 4.336 110 HD22 LEU 14 HD22 LEU 14 -4.031 -1.312 3.685 111 HD23 LEU 14 HD23 LEU 14 -4.709 -2.578 2.664 112 H ARG 15 HN ARG 15 -9.888 -2.201 3.844 113 HA ARG 15 HA ARG 15 -11.053 -4.428 5.044 114 HB2 ARG 15 HB2 ARG 15 -11.137 -2.282 6.035 115 HB3 ARG 15 HB1 ARG 15 -11.757 -1.545 4.568 116 HG2 ARG 15 HG2 ARG 15 -13.853 -2.503 4.867 117 HG3 ARG 15 HG1 ARG 15 -13.254 -3.546 6.157 118 HD2 ARG 15 HD2 ARG 15 -13.699 -0.577 6.189 119 HD3 ARG 15 HD1 ARG 15 -14.396 -1.793 7.258 120 HE ARG 15 HE ARG 15 -11.591 -1.800 7.532 121 HH11 ARG 15 HH11 ARG 15 -14.375 0.169 8.342 122 HH12 ARG 15 HH12 ARG 15 -13.594 0.929 9.699 123 HH21 ARG 15 HH21 ARG 15 -10.573 -0.800 9.306 124 HH22 ARG 15 HH22 ARG 15 -11.450 0.368 10.263 125 H THR 16 HN THR 16 -11.347 -3.077 1.878 126 HA THR 16 HA THR 16 -14.154 -3.095 1.691 127 HB THR 16 HB THR 16 -12.809 -1.632 0.297 128 HG1 THR 16 HG1 THR 16 -14.837 -2.251 -0.535 129 HG21 THR 16 HG21 THR 16 -10.865 -3.008 -0.077 130 HG22 THR 16 HG22 THR 16 -11.556 -2.570 -1.639 131 HG23 THR 16 HG23 THR 16 -11.818 -4.186 -0.974 132 H LEU 17 HN LEU 17 -11.692 -5.439 0.638 133 HA LEU 17 HA LEU 17 -13.582 -6.605 -1.167 134 HB2 LEU 17 HB2 LEU 17 -11.113 -6.263 -1.538 135 HB3 LEU 17 HB1 LEU 17 -10.845 -7.542 -0.378 136 HG LEU 17 HG LEU 17 -10.916 -7.945 -3.053 137 HD11 LEU 17 HD11 LEU 17 -10.160 -9.561 -1.400 138 HD12 LEU 17 HD12 LEU 17 -11.213 -10.314 -2.594 139 HD13 LEU 17 HD13 LEU 17 -11.833 -9.934 -0.990 140 HD21 LEU 17 HD21 LEU 17 -13.693 -8.655 -2.111 141 HD22 LEU 17 HD22 LEU 17 -12.998 -9.022 -3.690 142 HD23 LEU 17 HD23 LEU 17 -13.297 -7.347 -3.224 143 H LYS 18 HN LYS 18 -11.847 -7.779 1.712 144 HA LYS 18 HA LYS 18 -13.871 -9.845 1.958 145 HB2 LYS 18 HB2 LYS 18 -10.990 -10.450 1.683 146 HB3 LYS 18 HB1 LYS 18 -11.990 -11.480 2.704 147 HG2 LYS 18 HG2 LYS 18 -13.609 -11.548 0.711 148 HG3 LYS 18 HG1 LYS 18 -12.258 -10.925 -0.230 149 HD2 LYS 18 HD2 LYS 18 -10.947 -12.864 0.232 150 HD3 LYS 18 HD1 LYS 18 -12.112 -13.434 1.432 151 HE2 LYS 18 HE2 LYS 18 -13.805 -13.566 -0.410 152 HE3 LYS 18 HE1 LYS 18 -12.505 -13.222 -1.550 153 HZ1 LYS 18 HZ1 LYS 18 -13.056 -15.623 -1.247 154 HZ2 LYS 18 HZ2 LYS 18 -12.451 -15.517 0.336 155 HZ3 LYS 18 HZ3 LYS 18 -11.425 -15.242 -0.989 156 H SER 19 HN SER 19 -13.960 -7.619 3.714 157 HA SER 19 HA SER 19 -11.755 -6.854 4.884 158 HB2 SER 19 HB2 SER 19 -13.197 -6.146 6.900 159 HB3 SER 19 HB1 SER 19 -13.673 -5.595 5.294 160 HG SER 19 HG SER 19 -14.763 -8.005 5.863 161 HA PRO 20 HA PRO 20 -8.917 -8.815 7.103 162 HB2 PRO 20 HB2 PRO 20 -10.207 -7.672 9.551 163 HB3 PRO 20 HB1 PRO 20 -8.491 -7.789 9.141 164 HG2 PRO 20 HG2 PRO 20 -10.110 -5.580 8.640 165 HG3 PRO 20 HG1 PRO 20 -8.560 -5.916 7.851 166 HD2 PRO 20 HD2 PRO 20 -11.091 -5.825 6.604 167 HD3 PRO 20 HD1 PRO 20 -9.591 -6.467 5.898 168 H SER 21 HN SER 21 -10.251 -10.790 6.481 169 HA SER 21 HA SER 21 -9.687 -12.557 8.645 170 HB2 SER 21 HB2 SER 21 -12.549 -12.273 7.708 171 HB3 SER 21 HB1 SER 21 -11.952 -13.745 8.467 172 HG SER 21 HG SER 21 -11.599 -11.237 9.712 173 H SER 22 HN SER 22 -9.287 -11.822 5.605 174 HA SER 22 HA SER 22 -9.558 -14.503 4.534 175 HB2 SER 22 HB2 SER 22 -11.143 -12.218 3.347 176 HB3 SER 22 HB1 SER 22 -11.177 -13.906 2.845 177 HG SER 22 HG SER 22 -12.563 -12.656 4.811 178 HA PRO 23 HA PRO 23 -6.659 -13.641 1.146 179 HB2 PRO 23 HB2 PRO 23 -9.067 -13.569 -0.626 180 HB3 PRO 23 HB1 PRO 23 -7.501 -14.353 -0.881 181 HG2 PRO 23 HG2 PRO 23 -9.550 -15.792 -0.066 182 HG3 PRO 23 HG1 PRO 23 -7.953 -16.036 0.669 183 HD2 PRO 23 HD2 PRO 23 -10.356 -14.655 1.764 184 HD3 PRO 23 HD1 PRO 23 -9.130 -15.626 2.601 185 H GLN 24 HN GLN 24 -8.686 -11.108 2.062 186 HA GLN 24 HA GLN 24 -9.549 -9.938 -0.279 187 HB2 GLN 24 HB2 GLN 24 -9.985 -7.904 0.985 188 HB3 GLN 24 HB1 GLN 24 -10.442 -9.338 1.901 189 HG2 GLN 24 HG2 GLN 24 -7.753 -8.120 2.344 190 HG3 GLN 24 HG1 GLN 24 -9.179 -7.362 3.046 191 HE21 GLN 24 HE21 GLN 24 -6.893 -8.630 4.337 192 HE22 GLN 24 HE22 GLN 24 -7.544 -9.892 5.328 193 H GLN 25 HN GLN 25 -6.300 -9.702 0.872 194 HA GLN 25 HA GLN 25 -5.739 -7.022 0.518 195 HB2 GLN 25 HB2 GLN 25 -4.257 -8.638 1.618 196 HB3 GLN 25 HB1 GLN 25 -3.904 -9.375 0.063 197 HG2 GLN 25 HG2 GLN 25 -2.869 -7.290 -0.684 198 HG3 GLN 25 HG1 GLN 25 -3.208 -6.565 0.888 199 HE21 GLN 25 HE21 GLN 25 -0.657 -7.027 -0.451 200 HE22 GLN 25 HE22 GLN 25 0.280 -7.997 0.629 201 H GLN 26 HN GLN 26 -5.618 -9.580 -1.991 202 HA GLN 26 HA GLN 26 -4.383 -7.777 -3.847 203 HB2 GLN 26 HB2 GLN 26 -5.324 -10.600 -4.009 204 HB3 GLN 26 HB1 GLN 26 -4.909 -9.727 -5.479 205 HG2 GLN 26 HG2 GLN 26 -3.101 -10.193 -3.117 206 HG3 GLN 26 HG1 GLN 26 -3.023 -11.017 -4.675 207 HE21 GLN 26 HE21 GLN 26 -1.011 -9.410 -3.321 208 HE22 GLN 26 HE22 GLN 26 -0.608 -8.126 -4.407 209 H GLN 27 HN GLN 27 -7.780 -9.085 -3.735 210 HA GLN 27 HA GLN 27 -7.985 -8.573 -6.530 211 HB2 GLN 27 HB2 GLN 27 -9.152 -10.418 -5.515 212 HB3 GLN 27 HB1 GLN 27 -10.089 -9.322 -4.510 213 HG2 GLN 27 HG2 GLN 27 -11.158 -8.408 -6.513 214 HG3 GLN 27 HG1 GLN 27 -10.221 -9.518 -7.512 215 HE21 GLN 27 HE21 GLN 27 -12.097 -10.459 -8.323 216 HE22 GLN 27 HE22 GLN 27 -13.072 -11.533 -7.375 217 H GLN 28 HN GLN 28 -10.184 -7.170 -4.021 218 HA GLN 28 HA GLN 28 -10.817 -5.016 -5.835 219 HB2 GLN 28 HB2 GLN 28 -11.716 -5.732 -3.077 220 HB3 GLN 28 HB1 GLN 28 -11.977 -4.096 -3.662 221 HG2 GLN 28 HG2 GLN 28 -12.977 -6.621 -4.964 222 HG3 GLN 28 HG1 GLN 28 -13.936 -5.491 -4.011 223 HE21 GLN 28 HE21 GLN 28 -12.571 -3.157 -5.143 224 HE22 GLN 28 HE22 GLN 28 -13.178 -2.981 -6.754 225 H VAL 29 HN VAL 29 -8.735 -5.579 -3.204 226 HA VAL 29 HA VAL 29 -8.496 -2.958 -2.237 227 HB VAL 29 HB VAL 29 -6.633 -5.309 -1.930 228 HG11 VAL 29 HG11 VAL 29 -5.611 -3.160 -1.319 229 HG12 VAL 29 HG12 VAL 29 -5.862 -4.213 0.075 230 HG13 VAL 29 HG13 VAL 29 -6.960 -2.866 -0.220 231 HG21 VAL 29 HG21 VAL 29 -8.928 -5.790 -1.235 232 HG22 VAL 29 HG22 VAL 29 -8.912 -4.358 -0.205 233 HG23 VAL 29 HG23 VAL 29 -7.835 -5.711 0.146 234 H LEU 30 HN LEU 30 -6.497 -4.847 -4.490 235 HA LEU 30 HA LEU 30 -4.489 -2.914 -4.837 236 HB2 LEU 30 HB2 LEU 30 -4.361 -5.277 -5.594 237 HB3 LEU 30 HB1 LEU 30 -5.473 -4.895 -6.892 238 HG LEU 30 HG LEU 30 -3.799 -3.300 -7.802 239 HD11 LEU 30 HD11 LEU 30 -2.646 -2.770 -5.723 240 HD12 LEU 30 HD12 LEU 30 -1.510 -3.378 -6.929 241 HD13 LEU 30 HD13 LEU 30 -2.051 -4.427 -5.620 242 HD21 LEU 30 HD21 LEU 30 -2.256 -4.995 -8.644 243 HD22 LEU 30 HD22 LEU 30 -3.913 -5.603 -8.631 244 HD23 LEU 30 HD23 LEU 30 -2.778 -6.107 -7.378 245 H ASN 31 HN ASN 31 -7.671 -3.265 -6.276 246 HA ASN 31 HA ASN 31 -7.335 -1.267 -8.264 247 HB2 ASN 31 HB2 ASN 31 -9.777 -2.468 -6.981 248 HB3 ASN 31 HB1 ASN 31 -9.887 -1.194 -8.193 249 HD21 ASN 31 HD21 ASN 31 -10.855 -3.897 -8.369 250 HD22 ASN 31 HD22 ASN 31 -10.052 -4.629 -9.712 251 H ILE 32 HN ILE 32 -8.767 -1.103 -4.975 252 HA ILE 32 HA ILE 32 -9.217 1.697 -5.063 253 HB ILE 32 HB ILE 32 -8.793 -0.103 -2.660 254 HG12 ILE 32 HG12 ILE 32 -11.277 0.941 -4.030 255 HG13 ILE 32 HG11 ILE 32 -10.756 -0.738 -3.915 256 HG21 ILE 32 HG21 ILE 32 -9.765 1.682 -1.318 257 HG22 ILE 32 HG22 ILE 32 -9.890 2.706 -2.749 258 HG23 ILE 32 HG23 ILE 32 -8.304 2.246 -2.131 259 HD11 ILE 32 HD11 ILE 32 -11.622 0.998 -1.611 260 HD12 ILE 32 HD12 ILE 32 -11.119 -0.691 -1.506 261 HD13 ILE 32 HD13 ILE 32 -12.586 -0.261 -2.386 262 H LEU 33 HN LEU 33 -6.491 -0.302 -4.243 263 HA LEU 33 HA LEU 33 -4.730 1.550 -3.156 264 HB2 LEU 33 HB2 LEU 33 -4.624 -1.059 -3.745 265 HB3 LEU 33 HB1 LEU 33 -3.713 -0.450 -5.107 266 HG LEU 33 HG LEU 33 -1.916 0.164 -3.810 267 HD11 LEU 33 HD11 LEU 33 -3.206 1.658 -2.314 268 HD12 LEU 33 HD12 LEU 33 -1.990 0.712 -1.453 269 HD13 LEU 33 HD13 LEU 33 -3.690 0.250 -1.369 270 HD21 LEU 33 HD21 LEU 33 -2.194 -2.240 -3.674 271 HD22 LEU 33 HD22 LEU 33 -3.247 -2.067 -2.268 272 HD23 LEU 33 HD23 LEU 33 -1.539 -1.630 -2.153 273 H LYS 34 HN LYS 34 -5.596 0.902 -6.512 274 HA LYS 34 HA LYS 34 -3.662 2.613 -7.694 275 HB2 LYS 34 HB2 LYS 34 -6.338 1.718 -8.787 276 HB3 LYS 34 HB1 LYS 34 -5.055 2.469 -9.721 277 HG2 LYS 34 HG2 LYS 34 -3.612 0.537 -9.252 278 HG3 LYS 34 HG1 LYS 34 -4.945 -0.223 -8.377 279 HD2 LYS 34 HD2 LYS 34 -6.311 -0.058 -10.457 280 HD3 LYS 34 HD1 LYS 34 -4.874 0.522 -11.300 281 HE2 LYS 34 HE2 LYS 34 -5.125 -1.828 -11.718 282 HE3 LYS 34 HE1 LYS 34 -3.722 -1.581 -10.679 283 HZ1 LYS 34 HZ1 LYS 34 -6.421 -2.405 -9.743 284 HZ2 LYS 34 HZ2 LYS 34 -5.041 -2.226 -8.779 285 HZ3 LYS 34 HZ3 LYS 34 -5.102 -3.449 -9.950 286 H SER 35 HN SER 35 -6.900 3.109 -6.423 287 HA SER 35 HA SER 35 -7.130 5.722 -7.607 288 HB2 SER 35 HB2 SER 35 -9.234 5.822 -6.140 289 HB3 SER 35 HB1 SER 35 -9.192 4.621 -7.429 290 HG SER 35 HG SER 35 -8.229 3.830 -4.936 291 H ASN 36 HN ASN 36 -5.346 4.651 -5.074 292 HA ASN 36 HA ASN 36 -5.206 7.423 -4.125 293 HB2 ASN 36 HB2 ASN 36 -6.259 5.890 -2.389 294 HB3 ASN 36 HB1 ASN 36 -4.701 5.070 -2.299 295 HD21 ASN 36 HD21 ASN 36 -6.456 7.970 -1.581 296 HD22 ASN 36 HD22 ASN 36 -5.255 8.691 -0.574 297 HA PRO 37 HA PRO 37 -1.434 6.010 -6.319 298 HB2 PRO 37 HB2 PRO 37 -0.596 8.663 -6.625 299 HB3 PRO 37 HB1 PRO 37 -1.475 7.697 -7.813 300 HG2 PRO 37 HG2 PRO 37 -2.496 9.724 -5.883 301 HG3 PRO 37 HG1 PRO 37 -3.046 9.354 -7.528 302 HD2 PRO 37 HD2 PRO 37 -4.424 8.552 -5.377 303 HD3 PRO 37 HD1 PRO 37 -4.307 7.544 -6.834 304 H GLN 38 HN GLN 38 -1.679 8.323 -3.631 305 HA GLN 38 HA GLN 38 1.129 8.358 -3.136 306 HB2 GLN 38 HB2 GLN 38 -1.189 9.127 -1.365 307 HB3 GLN 38 HB1 GLN 38 0.498 9.377 -0.943 308 HG2 GLN 38 HG2 GLN 38 -1.057 10.663 -3.165 309 HG3 GLN 38 HG1 GLN 38 -0.329 11.424 -1.757 310 HE21 GLN 38 HE21 GLN 38 0.210 10.160 -4.918 311 HE22 GLN 38 HE22 GLN 38 1.833 10.732 -5.098 312 H LEU 39 HN LEU 39 -1.571 6.598 -1.634 313 HA LEU 39 HA LEU 39 0.009 5.258 0.293 314 HB2 LEU 39 HB2 LEU 39 -2.592 5.518 0.064 315 HB3 LEU 39 HB1 LEU 39 -2.474 4.049 -0.881 316 HG LEU 39 HG LEU 39 -3.107 3.690 1.499 317 HD11 LEU 39 HD11 LEU 39 -0.494 2.454 0.651 318 HD12 LEU 39 HD12 LEU 39 -2.109 1.867 0.255 319 HD13 LEU 39 HD13 LEU 39 -1.548 1.843 1.927 320 HD21 LEU 39 HD21 LEU 39 -0.304 4.652 2.029 321 HD22 LEU 39 HD22 LEU 39 -1.355 3.877 3.212 322 HD23 LEU 39 HD23 LEU 39 -1.798 5.442 2.530 323 H MET 40 HN MET 40 -1.036 4.449 -2.984 324 HA MET 40 HA MET 40 0.106 1.858 -3.018 325 HB2 MET 40 HB2 MET 40 -1.610 2.947 -4.653 326 HB3 MET 40 HB1 MET 40 -0.178 3.512 -5.504 327 HG2 MET 40 HG2 MET 40 0.600 1.228 -5.757 328 HG3 MET 40 HG1 MET 40 -0.794 0.643 -4.853 329 HE1 MET 40 HE1 MET 40 -0.318 -0.796 -7.347 330 HE2 MET 40 HE2 MET 40 -1.787 -0.671 -8.318 331 HE3 MET 40 HE3 MET 40 -1.901 -0.972 -6.582 332 H ALA 41 HN ALA 41 1.301 5.039 -3.971 333 HA ALA 41 HA ALA 41 3.758 4.329 -5.067 334 HB1 ALA 41 HB1 ALA 41 4.502 6.591 -4.445 335 HB2 ALA 41 HB2 ALA 41 3.083 6.767 -3.408 336 HB3 ALA 41 HB3 ALA 41 2.889 6.604 -5.154 337 H ALA 42 HN ALA 42 2.860 4.906 -1.694 338 HA ALA 42 HA ALA 42 5.441 4.526 -0.617 339 HB1 ALA 42 HB1 ALA 42 4.307 4.304 1.534 340 HB2 ALA 42 HB2 ALA 42 2.758 4.141 0.708 341 HB3 ALA 42 HB3 ALA 42 3.655 5.658 0.610 342 H PHE 43 HN PHE 43 2.699 2.330 -1.063 343 HA PHE 43 HA PHE 43 3.854 0.103 0.208 344 HB2 PHE 43 HB2 PHE 43 1.449 0.308 -0.236 345 HB3 PHE 43 HB1 PHE 43 1.748 0.194 -1.964 346 HD1 PHE 43 HD1 PHE 43 3.405 -1.867 0.632 347 HD2 PHE 43 HD2 PHE 43 0.455 -1.703 -2.435 348 HE1 PHE 43 HE1 PHE 43 3.142 -4.311 0.756 349 HE2 PHE 43 HE2 PHE 43 0.185 -4.143 -2.312 350 HZ PHE 43 HZ PHE 43 1.533 -5.451 -0.718 351 H ILE 44 HN ILE 44 3.848 1.118 -3.188 352 HA ILE 44 HA ILE 44 5.165 -1.229 -4.138 353 HB ILE 44 HB ILE 44 4.848 1.491 -5.417 354 HG12 ILE 44 HG12 ILE 44 3.397 -1.118 -5.919 355 HG13 ILE 44 HG11 ILE 44 2.747 0.235 -4.999 356 HG21 ILE 44 HG21 ILE 44 5.467 0.406 -7.526 357 HG22 ILE 44 HG22 ILE 44 5.811 -1.086 -6.653 358 HG23 ILE 44 HG23 ILE 44 6.786 0.352 -6.357 359 HD11 ILE 44 HD11 ILE 44 2.814 1.634 -6.980 360 HD12 ILE 44 HD12 ILE 44 1.866 0.172 -7.267 361 HD13 ILE 44 HD13 ILE 44 3.507 0.303 -7.908 362 H LYS 45 HN LYS 45 6.267 2.013 -3.259 363 HA LYS 45 HA LYS 45 8.954 1.595 -4.090 364 HB2 LYS 45 HB2 LYS 45 8.001 3.822 -3.939 365 HB3 LYS 45 HB1 LYS 45 7.759 3.630 -2.210 366 HG2 LYS 45 HG2 LYS 45 10.096 3.669 -1.794 367 HG3 LYS 45 HG1 LYS 45 10.467 3.558 -3.514 368 HD2 LYS 45 HD2 LYS 45 10.802 5.829 -2.783 369 HD3 LYS 45 HD1 LYS 45 9.401 5.770 -3.848 370 HE2 LYS 45 HE2 LYS 45 9.146 5.674 -0.854 371 HE3 LYS 45 HE1 LYS 45 9.225 7.196 -1.736 372 HZ1 LYS 45 HZ1 LYS 45 7.149 5.091 -1.973 373 HZ2 LYS 45 HZ2 LYS 45 7.270 6.398 -3.038 374 HZ3 LYS 45 HZ3 LYS 45 6.950 6.669 -1.394 375 H GLN 46 HN GLN 46 7.325 1.405 -0.943 376 HA GLN 46 HA GLN 46 9.747 0.946 0.504 377 HB2 GLN 46 HB2 GLN 46 7.904 2.006 1.613 378 HB3 GLN 46 HB1 GLN 46 6.838 0.658 1.253 379 HG2 GLN 46 HG2 GLN 46 7.482 0.618 3.570 380 HG3 GLN 46 HG1 GLN 46 8.162 -0.773 2.732 381 HE21 GLN 46 HE21 GLN 46 9.481 2.451 2.444 382 HE22 GLN 46 HE22 GLN 46 10.938 2.136 3.328 383 H ARG 47 HN ARG 47 7.083 -1.170 -0.558 384 HA ARG 47 HA ARG 47 8.864 -3.458 -0.046 385 HB2 ARG 47 HB2 ARG 47 5.879 -3.370 0.436 386 HB3 ARG 47 HB1 ARG 47 6.900 -4.789 0.617 387 HG2 ARG 47 HG2 ARG 47 8.157 -3.618 2.393 388 HG3 ARG 47 HG1 ARG 47 7.043 -2.259 2.244 389 HD2 ARG 47 HD2 ARG 47 5.174 -3.813 2.773 390 HD3 ARG 47 HD1 ARG 47 6.364 -5.078 3.071 391 HE ARG 47 HE ARG 47 7.008 -2.826 4.635 392 HH11 ARG 47 HH11 ARG 47 4.668 -5.425 4.422 393 HH12 ARG 47 HH12 ARG 47 4.234 -5.339 6.106 394 HH21 ARG 47 HH21 ARG 47 6.424 -2.701 6.840 395 HH22 ARG 47 HH22 ARG 47 5.207 -3.768 7.473 396 H THR 48 HN THR 48 5.934 -4.581 -1.085 397 HA THR 48 HA THR 48 5.248 -5.582 -3.004 398 HB THR 48 HB THR 48 6.319 -3.068 -4.299 399 HG1 THR 48 HG1 THR 48 4.872 -2.465 -2.713 400 HG21 THR 48 HG21 THR 48 5.727 -4.807 -5.916 401 HG22 THR 48 HG22 THR 48 4.571 -3.477 -5.971 402 HG23 THR 48 HG23 THR 48 4.145 -4.981 -5.155 403 H ALA 49 HN ALA 49 6.746 -7.280 -2.873 404 HA ALA 49 HA ALA 49 8.327 -8.715 -3.626 405 HB1 ALA 49 HB1 ALA 49 8.348 -6.929 -6.058 406 HB2 ALA 49 HB2 ALA 49 7.300 -8.325 -5.798 407 HB3 ALA 49 HB3 ALA 49 9.042 -8.548 -5.961 408 H LYS 50 HN LYS 50 9.056 -5.866 -2.461 409 HA LYS 50 HA LYS 50 11.937 -6.295 -2.724 410 HB2 LYS 50 HB2 LYS 50 10.503 -3.640 -2.926 411 HB3 LYS 50 HB1 LYS 50 12.232 -3.788 -2.639 412 HG2 LYS 50 HG2 LYS 50 12.489 -4.955 -4.765 413 HG3 LYS 50 HG1 LYS 50 10.756 -4.811 -5.053 414 HD2 LYS 50 HD2 LYS 50 12.547 -2.429 -4.627 415 HD3 LYS 50 HD1 LYS 50 12.231 -3.117 -6.219 416 HE2 LYS 50 HE2 LYS 50 10.687 -1.377 -6.042 417 HE3 LYS 50 HE1 LYS 50 9.753 -2.815 -5.646 418 HZ1 LYS 50 HZ1 LYS 50 10.907 -0.899 -3.689 419 HZ2 LYS 50 HZ2 LYS 50 10.017 -2.289 -3.297 420 HZ3 LYS 50 HZ3 LYS 50 9.273 -1.017 -4.125 421 H TYR 51 HN TYR 51 10.988 -7.461 -0.745 422 HA TYR 51 HA TYR 51 10.574 -5.750 1.567 423 HB2 TYR 51 HB2 TYR 51 10.836 -8.764 1.561 424 HB3 TYR 51 HB1 TYR 51 10.014 -7.751 2.743 425 HD1 TYR 51 HD1 TYR 51 7.931 -6.485 1.968 426 HD2 TYR 51 HD2 TYR 51 9.646 -9.693 -0.232 427 HE1 TYR 51 HE1 TYR 51 5.820 -6.766 0.743 428 HE2 TYR 51 HE2 TYR 51 7.537 -9.991 -1.461 429 HH TYR 51 HH TYR 51 5.179 -9.489 -1.228 430 H VAL 52 HN VAL 52 12.753 -4.804 1.212 431 HA VAL 52 HA VAL 52 14.996 -4.610 1.532 432 HB VAL 52 HB VAL 52 14.814 -6.899 3.489 433 HG11 VAL 52 HG11 VAL 52 16.527 -4.419 3.375 434 HG12 VAL 52 HG12 VAL 52 17.050 -6.077 3.074 435 HG13 VAL 52 HG13 VAL 52 16.532 -5.591 4.690 436 HG21 VAL 52 HG21 VAL 52 14.047 -4.023 3.979 437 HG22 VAL 52 HG22 VAL 52 14.140 -5.290 5.204 438 HG23 VAL 52 HG23 VAL 52 12.935 -5.392 3.914 439 H ALA 53 HN ALA 53 14.102 -6.092 -0.569 440 HA ALA 53 HA ALA 53 16.279 -7.997 -1.008 441 HB1 ALA 53 HB1 ALA 53 14.343 -9.352 -0.387 442 HB2 ALA 53 HB2 ALA 53 14.729 -9.563 -2.095 443 HB3 ALA 53 HB3 ALA 53 13.370 -8.543 -1.619 444 H ASN 54 HN ASN 54 16.368 -8.498 -3.461 445 HA ASN 54 HA ASN 54 15.517 -6.121 -4.950 446 HB2 ASN 54 HB2 ASN 54 17.842 -5.757 -4.260 447 HB3 ASN 54 HB1 ASN 54 18.308 -7.286 -5.003 448 HD21 ASN 54 HD21 ASN 54 18.448 -7.431 -7.227 449 HD22 ASN 54 HD22 ASN 54 18.438 -6.038 -8.259 450 H GLN 55 HN GLN 55 14.172 -6.917 -6.399 451 HA GLN 55 HA GLN 55 14.783 -9.385 -7.823 452 HB2 GLN 55 HB2 GLN 55 12.466 -8.927 -7.086 453 HB3 GLN 55 HB1 GLN 55 12.444 -7.484 -8.091 454 HG2 GLN 55 HG2 GLN 55 13.007 -9.141 -10.017 455 HG3 GLN 55 HG1 GLN 55 12.386 -10.356 -8.901 456 HE21 GLN 55 HE21 GLN 55 10.483 -8.472 -7.723 457 HE22 GLN 55 HE22 GLN 55 9.224 -8.236 -8.884 458 HA PRO 56 HA PRO 56 16.810 -6.894 -10.953 459 HB2 PRO 56 HB2 PRO 56 17.101 -9.382 -12.450 460 HB3 PRO 56 HB1 PRO 56 18.347 -8.389 -11.694 461 HG2 PRO 56 HG2 PRO 56 17.673 -10.837 -10.759 462 HG3 PRO 56 HG1 PRO 56 18.231 -9.530 -9.696 463 HD2 PRO 56 HD2 PRO 56 15.432 -10.472 -10.234 464 HD3 PRO 56 HD1 PRO 56 16.195 -10.034 -8.688 465 H GLY 57 HN GLY 57 14.021 -6.812 -11.033 466 HA2 GLY 57 HA2 GLY 57 13.560 -6.542 -13.857 467 HA3 GLY 57 HA1 GLY 57 12.634 -7.853 -13.138 468 H MET 58 HN MET 58 11.111 -6.017 -14.206 469 HA MET 58 HA MET 58 10.551 -3.890 -12.319 470 HB2 MET 58 HB2 MET 58 8.841 -3.175 -13.923 471 HB3 MET 58 HB1 MET 58 10.395 -3.408 -14.709 472 HG2 MET 58 HG2 MET 58 9.644 -5.570 -15.561 473 HG3 MET 58 HG1 MET 58 8.090 -5.343 -14.756 474 HE1 MET 58 HE1 MET 58 6.853 -5.813 -17.079 475 HE2 MET 58 HE2 MET 58 8.418 -6.023 -17.866 476 HE3 MET 58 HE3 MET 58 7.218 -4.938 -18.568 477 H GLN 59 HN GLN 59 8.878 -3.741 -10.959 478 HA GLN 59 HA GLN 59 7.134 -4.296 -9.638 479 HB2 GLN 59 HB2 GLN 59 6.280 -5.892 -12.055 480 HB3 GLN 59 HB1 GLN 59 5.266 -5.587 -10.651 481 HG2 GLN 59 HG2 GLN 59 5.334 -3.206 -11.073 482 HG3 GLN 59 HG1 GLN 59 6.435 -3.453 -12.426 483 HE21 GLN 59 HE21 GLN 59 5.029 -2.474 -13.867 484 HE22 GLN 59 HE22 GLN 59 3.578 -3.250 -14.412 Start of MODEL 10 1 H2 PRO 1 HT1 PRO 1 5.132 18.932 -2.595 2 H3 PRO 1 HT2 PRO 1 4.795 19.662 -4.022 3 HA PRO 1 HA PRO 1 2.944 18.660 -3.941 4 HB2 PRO 1 HB2 PRO 1 3.740 15.943 -4.392 5 HB3 PRO 1 HB1 PRO 1 3.132 17.119 -5.566 6 HG2 PRO 1 HG2 PRO 1 5.714 16.177 -5.523 7 HG3 PRO 1 HG1 PRO 1 5.224 17.729 -6.224 8 HD2 PRO 1 HD2 PRO 1 6.425 17.160 -3.530 9 HD3 PRO 1 HD1 PRO 1 6.806 18.461 -4.675 10 H ASN 2 HN ASN 2 1.536 17.964 -2.429 11 HA ASN 2 HA ASN 2 2.601 16.296 -0.235 12 HB2 ASN 2 HB2 ASN 2 0.583 18.541 0.000 13 HB3 ASN 2 HB1 ASN 2 1.142 17.521 1.320 14 HD21 ASN 2 HD21 ASN 2 1.902 20.149 -0.794 15 HD22 ASN 2 HD22 ASN 2 3.338 20.671 0.025 16 H ARG 3 HN ARG 3 -0.508 17.542 -1.406 17 HA ARG 3 HA ARG 3 -2.517 16.612 -1.798 18 HB2 ARG 3 HB2 ARG 3 -0.782 14.225 -2.380 19 HB3 ARG 3 HB1 ARG 3 -2.531 14.189 -2.572 20 HG2 ARG 3 HG2 ARG 3 -0.654 16.081 -3.975 21 HG3 ARG 3 HG1 ARG 3 -1.403 14.647 -4.682 22 HD2 ARG 3 HD2 ARG 3 -3.588 15.589 -4.443 23 HD3 ARG 3 HD1 ARG 3 -2.954 16.946 -3.512 24 HE ARG 3 HE ARG 3 -1.753 16.804 -6.090 25 HH11 ARG 3 HH11 ARG 3 -4.722 17.759 -4.480 26 HH12 ARG 3 HH12 ARG 3 -5.087 19.003 -5.640 27 HH21 ARG 3 HH21 ARG 3 -2.240 18.403 -7.608 28 HH22 ARG 3 HH22 ARG 3 -3.674 19.367 -7.428 29 H SER 4 HN SER 4 -3.871 16.531 -0.196 30 HA SER 4 HA SER 4 -3.482 14.949 2.147 31 HB2 SER 4 HB2 SER 4 -5.859 15.673 2.636 32 HB3 SER 4 HB1 SER 4 -4.725 16.994 2.353 33 HG SER 4 HG SER 4 -6.555 15.898 0.472 34 H ILE 5 HN ILE 5 -3.517 12.782 1.955 35 HA ILE 5 HA ILE 5 -5.018 11.379 -0.007 36 HB ILE 5 HB ILE 5 -3.826 10.283 2.550 37 HG12 ILE 5 HG12 ILE 5 -2.608 10.473 -0.216 38 HG13 ILE 5 HG11 ILE 5 -2.170 11.492 1.150 39 HG21 ILE 5 HG21 ILE 5 -3.774 8.154 1.300 40 HG22 ILE 5 HG22 ILE 5 -4.620 8.941 -0.034 41 HG23 ILE 5 HG23 ILE 5 -5.415 8.762 1.530 42 HD11 ILE 5 HD11 ILE 5 -1.384 9.515 2.356 43 HD12 ILE 5 HD12 ILE 5 -0.542 9.732 0.820 44 HD13 ILE 5 HD13 ILE 5 -1.806 8.512 0.968 45 H SER 6 HN SER 6 -7.069 10.709 0.026 46 HA SER 6 HA SER 6 -8.829 11.796 1.951 47 HB2 SER 6 HB2 SER 6 -9.363 9.722 -0.187 48 HB3 SER 6 HB1 SER 6 -10.591 10.644 0.679 49 HG SER 6 HG SER 6 -8.524 11.896 -0.811 50 HA PRO 7 HA PRO 7 -8.376 8.555 4.991 51 HB2 PRO 7 HB2 PRO 7 -10.308 9.527 6.676 52 HB3 PRO 7 HB1 PRO 7 -8.648 10.129 6.626 53 HG2 PRO 7 HG2 PRO 7 -11.112 11.251 5.359 54 HG3 PRO 7 HG1 PRO 7 -9.789 12.097 6.185 55 HD2 PRO 7 HD2 PRO 7 -9.961 12.012 3.499 56 HD3 PRO 7 HD1 PRO 7 -8.396 11.987 4.340 57 H SER 8 HN SER 8 -11.348 9.526 3.424 58 HA SER 8 HA SER 8 -13.054 7.505 4.328 59 HB2 SER 8 HB2 SER 8 -13.063 8.692 1.547 60 HB3 SER 8 HB1 SER 8 -14.438 8.056 2.450 61 HG SER 8 HG SER 8 -13.788 10.516 2.344 62 H ALA 9 HN ALA 9 -10.830 7.601 1.573 63 HA ALA 9 HA ALA 9 -11.419 4.970 0.661 64 HB1 ALA 9 HB1 ALA 9 -9.005 6.708 0.142 65 HB2 ALA 9 HB2 ALA 9 -10.475 6.651 -0.829 66 HB3 ALA 9 HB3 ALA 9 -9.423 5.240 -0.738 67 H LEU 10 HN LEU 10 -9.022 6.378 2.806 68 HA LEU 10 HA LEU 10 -7.372 4.105 3.070 69 HB2 LEU 10 HB2 LEU 10 -7.814 6.422 4.951 70 HB3 LEU 10 HB1 LEU 10 -6.537 5.233 5.121 71 HG LEU 10 HG LEU 10 -6.847 7.152 2.810 72 HD11 LEU 10 HD11 LEU 10 -4.828 8.197 3.733 73 HD12 LEU 10 HD12 LEU 10 -4.899 7.098 5.110 74 HD13 LEU 10 HD13 LEU 10 -6.184 8.277 4.856 75 HD21 LEU 10 HD21 LEU 10 -4.663 5.169 3.447 76 HD22 LEU 10 HD22 LEU 10 -4.650 6.335 2.123 77 HD23 LEU 10 HD23 LEU 10 -5.839 5.030 2.136 78 H GLN 11 HN GLN 11 -10.078 5.299 5.028 79 HA GLN 11 HA GLN 11 -9.803 3.372 7.077 80 HB2 GLN 11 HB2 GLN 11 -11.927 4.159 7.886 81 HB3 GLN 11 HB1 GLN 11 -11.012 5.531 7.285 82 HG2 GLN 11 HG2 GLN 11 -12.843 6.106 6.187 83 HG3 GLN 11 HG1 GLN 11 -12.482 4.770 5.096 84 HE21 GLN 11 HE21 GLN 11 -15.065 5.876 5.798 85 HE22 GLN 11 HE22 GLN 11 -15.974 4.585 6.500 86 H ASP 12 HN ASP 12 -11.701 3.461 4.127 87 HA ASP 12 HA ASP 12 -13.057 0.998 4.579 88 HB2 ASP 12 HB2 ASP 12 -13.849 2.725 2.974 89 HB3 ASP 12 HB1 ASP 12 -12.468 2.364 1.945 90 H LEU 13 HN LEU 13 -9.992 1.899 3.165 91 HA LEU 13 HA LEU 13 -9.278 -0.593 2.053 92 HB2 LEU 13 HB2 LEU 13 -8.102 1.510 1.570 93 HB3 LEU 13 HB1 LEU 13 -7.537 1.580 3.227 94 HG LEU 13 HG LEU 13 -6.286 -0.545 2.824 95 HD11 LEU 13 HD11 LEU 13 -7.601 -1.393 0.965 96 HD12 LEU 13 HD12 LEU 13 -5.909 -1.221 0.498 97 HD13 LEU 13 HD13 LEU 13 -7.098 -0.031 -0.034 98 HD21 LEU 13 HD21 LEU 13 -4.499 0.518 1.538 99 HD22 LEU 13 HD22 LEU 13 -5.185 1.628 2.723 100 HD23 LEU 13 HD23 LEU 13 -5.618 1.781 1.021 101 H LEU 14 HN LEU 14 -8.878 0.800 5.278 102 HA LEU 14 HA LEU 14 -7.389 -1.315 6.411 103 HB2 LEU 14 HB2 LEU 14 -9.377 0.307 7.966 104 HB3 LEU 14 HB1 LEU 14 -7.842 -0.349 8.502 105 HG LEU 14 HG LEU 14 -8.153 1.891 6.523 106 HD11 LEU 14 HD11 LEU 14 -7.402 3.353 8.331 107 HD12 LEU 14 HD12 LEU 14 -7.401 1.985 9.444 108 HD13 LEU 14 HD13 LEU 14 -8.918 2.553 8.744 109 HD21 LEU 14 HD21 LEU 14 -5.718 0.806 7.945 110 HD22 LEU 14 HD22 LEU 14 -5.748 2.218 6.887 111 HD23 LEU 14 HD23 LEU 14 -6.092 0.618 6.230 112 H ARG 15 HN ARG 15 -10.807 -0.708 6.020 113 HA ARG 15 HA ARG 15 -11.924 -2.690 7.619 114 HB2 ARG 15 HB2 ARG 15 -12.779 -1.616 4.939 115 HB3 ARG 15 HB1 ARG 15 -13.744 -2.775 5.826 116 HG2 ARG 15 HG2 ARG 15 -14.008 -1.183 7.643 117 HG3 ARG 15 HG1 ARG 15 -12.985 -0.023 6.785 118 HD2 ARG 15 HD2 ARG 15 -14.567 0.028 4.937 119 HD3 ARG 15 HD1 ARG 15 -15.572 -1.172 5.740 120 HE ARG 15 HE ARG 15 -15.529 0.790 7.562 121 HH11 ARG 15 HH11 ARG 15 -15.991 0.895 4.094 122 HH12 ARG 15 HH12 ARG 15 -17.130 2.209 4.149 123 HH21 ARG 15 HH21 ARG 15 -17.017 2.549 7.647 124 HH22 ARG 15 HH22 ARG 15 -17.706 3.155 6.171 125 H THR 16 HN THR 16 -10.971 -2.915 4.215 126 HA THR 16 HA THR 16 -11.684 -5.668 4.031 127 HB THR 16 HB THR 16 -11.871 -4.211 2.089 128 HG1 THR 16 HG1 THR 16 -9.865 -6.068 1.399 129 HG21 THR 16 HG21 THR 16 -8.865 -4.128 2.121 130 HG22 THR 16 HG22 THR 16 -9.945 -2.784 2.496 131 HG23 THR 16 HG23 THR 16 -9.911 -3.460 0.867 132 H LEU 17 HN LEU 17 -8.680 -3.904 4.502 133 HA LEU 17 HA LEU 17 -6.944 -6.129 4.185 134 HB2 LEU 17 HB2 LEU 17 -6.247 -3.776 3.954 135 HB3 LEU 17 HB1 LEU 17 -6.526 -3.530 5.663 136 HG LEU 17 HG LEU 17 -4.573 -5.635 4.854 137 HD11 LEU 17 HD11 LEU 17 -3.950 -2.684 4.897 138 HD12 LEU 17 HD12 LEU 17 -4.030 -3.684 3.448 139 HD13 LEU 17 HD13 LEU 17 -2.795 -3.997 4.667 140 HD21 LEU 17 HD21 LEU 17 -5.155 -5.300 7.213 141 HD22 LEU 17 HD22 LEU 17 -4.656 -3.613 7.096 142 HD23 LEU 17 HD23 LEU 17 -3.466 -4.900 6.904 143 H LYS 18 HN LYS 18 -8.732 -4.798 6.878 144 HA LYS 18 HA LYS 18 -7.384 -6.254 8.922 145 HB2 LYS 18 HB2 LYS 18 -8.689 -4.158 9.292 146 HB3 LYS 18 HB1 LYS 18 -10.164 -5.056 8.968 147 HG2 LYS 18 HG2 LYS 18 -9.852 -4.784 11.347 148 HG3 LYS 18 HG1 LYS 18 -9.707 -6.486 10.907 149 HD2 LYS 18 HD2 LYS 18 -7.984 -5.877 12.508 150 HD3 LYS 18 HD1 LYS 18 -7.263 -6.279 10.949 151 HE2 LYS 18 HE2 LYS 18 -6.168 -4.326 11.823 152 HE3 LYS 18 HE1 LYS 18 -7.142 -3.854 10.434 153 HZ1 LYS 18 HZ1 LYS 18 -8.852 -3.058 11.957 154 HZ2 LYS 18 HZ2 LYS 18 -7.373 -2.284 12.250 155 HZ3 LYS 18 HZ3 LYS 18 -7.904 -3.512 13.288 156 H SER 19 HN SER 19 -9.711 -7.080 6.583 157 HA SER 19 HA SER 19 -10.535 -9.466 8.070 158 HB2 SER 19 HB2 SER 19 -11.634 -8.369 5.471 159 HB3 SER 19 HB1 SER 19 -12.326 -9.668 6.445 160 HG SER 19 HG SER 19 -12.373 -6.912 6.845 161 HA PRO 20 HA PRO 20 -7.247 -11.145 5.508 162 HB2 PRO 20 HB2 PRO 20 -7.212 -13.431 7.285 163 HB3 PRO 20 HB1 PRO 20 -6.015 -12.146 7.121 164 HG2 PRO 20 HG2 PRO 20 -7.585 -12.480 9.333 165 HG3 PRO 20 HG1 PRO 20 -6.911 -10.920 8.830 166 HD2 PRO 20 HD2 PRO 20 -9.674 -12.009 8.431 167 HD3 PRO 20 HD1 PRO 20 -9.160 -10.362 8.858 168 H SER 21 HN SER 21 -8.988 -11.451 3.925 169 HA SER 21 HA SER 21 -9.093 -14.337 3.396 170 HB2 SER 21 HB2 SER 21 -11.383 -13.431 3.911 171 HB3 SER 21 HB1 SER 21 -11.207 -12.341 2.537 172 HG SER 21 HG SER 21 -11.132 -15.187 2.442 173 H SER 22 HN SER 22 -8.257 -14.880 1.445 174 HA SER 22 HA SER 22 -6.333 -13.319 0.341 175 HB2 SER 22 HB2 SER 22 -6.678 -15.783 -0.018 176 HB3 SER 22 HB1 SER 22 -7.867 -15.375 -1.253 177 HG SER 22 HG SER 22 -5.161 -14.490 -1.269 178 HA PRO 23 HA PRO 23 -9.174 -11.934 -3.353 179 HB2 PRO 23 HB2 PRO 23 -11.846 -11.916 -2.082 180 HB3 PRO 23 HB1 PRO 23 -11.376 -12.416 -3.709 181 HG2 PRO 23 HG2 PRO 23 -12.038 -14.217 -1.858 182 HG3 PRO 23 HG1 PRO 23 -10.731 -14.529 -3.016 183 HD2 PRO 23 HD2 PRO 23 -10.562 -13.708 -0.142 184 HD3 PRO 23 HD1 PRO 23 -9.570 -14.877 -1.041 185 H GLN 24 HN GLN 24 -10.549 -11.038 -0.127 186 HA GLN 24 HA GLN 24 -10.840 -8.328 -1.036 187 HB2 GLN 24 HB2 GLN 24 -11.531 -7.807 1.287 188 HB3 GLN 24 HB1 GLN 24 -12.486 -9.056 0.511 189 HG2 GLN 24 HG2 GLN 24 -11.283 -10.765 1.761 190 HG3 GLN 24 HG1 GLN 24 -10.308 -9.513 2.536 191 HE21 GLN 24 HE21 GLN 24 -12.156 -11.472 3.706 192 HE22 GLN 24 HE22 GLN 24 -13.326 -10.551 4.586 193 H GLN 25 HN GLN 25 -8.517 -10.099 0.877 194 HA GLN 25 HA GLN 25 -7.179 -7.775 1.842 195 HB2 GLN 25 HB2 GLN 25 -7.174 -10.166 2.808 196 HB3 GLN 25 HB1 GLN 25 -5.910 -10.486 1.627 197 HG2 GLN 25 HG2 GLN 25 -4.506 -8.802 2.584 198 HG3 GLN 25 HG1 GLN 25 -5.794 -8.290 3.674 199 HE21 GLN 25 HE21 GLN 25 -4.646 -8.687 5.530 200 HE22 GLN 25 HE22 GLN 25 -4.245 -10.280 6.065 201 H GLN 26 HN GLN 26 -6.296 -10.176 -0.680 202 HA GLN 26 HA GLN 26 -4.022 -8.608 -1.445 203 HB2 GLN 26 HB2 GLN 26 -3.800 -10.957 -1.616 204 HB3 GLN 26 HB1 GLN 26 -5.304 -11.110 -2.513 205 HG2 GLN 26 HG2 GLN 26 -4.274 -9.905 -4.378 206 HG3 GLN 26 HG1 GLN 26 -2.749 -9.867 -3.496 207 HE21 GLN 26 HE21 GLN 26 -4.968 -12.569 -3.456 208 HE22 GLN 26 HE22 GLN 26 -3.964 -13.662 -4.347 209 H GLN 27 HN GLN 27 -7.088 -9.487 -3.065 210 HA GLN 27 HA GLN 27 -6.422 -7.991 -5.406 211 HB2 GLN 27 HB2 GLN 27 -9.053 -9.224 -4.581 212 HB3 GLN 27 HB1 GLN 27 -8.674 -8.603 -6.183 213 HG2 GLN 27 HG2 GLN 27 -6.946 -10.268 -6.462 214 HG3 GLN 27 HG1 GLN 27 -7.205 -10.849 -4.820 215 HE21 GLN 27 HE21 GLN 27 -8.446 -10.751 -8.058 216 HE22 GLN 27 HE22 GLN 27 -9.616 -12.012 -7.855 217 H GLN 28 HN GLN 28 -8.861 -7.495 -2.860 218 HA GLN 28 HA GLN 28 -9.952 -5.162 -4.000 219 HB2 GLN 28 HB2 GLN 28 -11.158 -6.518 -2.357 220 HB3 GLN 28 HB1 GLN 28 -9.990 -6.080 -1.120 221 HG2 GLN 28 HG2 GLN 28 -11.978 -4.790 -0.816 222 HG3 GLN 28 HG1 GLN 28 -10.680 -3.724 -1.352 223 HE21 GLN 28 HE21 GLN 28 -12.122 -2.186 -2.109 224 HE22 GLN 28 HE22 GLN 28 -13.045 -2.415 -3.556 225 H VAL 29 HN VAL 29 -7.521 -5.571 -1.425 226 HA VAL 29 HA VAL 29 -7.167 -2.852 -0.852 227 HB VAL 29 HB VAL 29 -5.245 -5.169 -0.606 228 HG11 VAL 29 HG11 VAL 29 -4.883 -2.347 0.414 229 HG12 VAL 29 HG12 VAL 29 -3.927 -3.120 -0.850 230 HG13 VAL 29 HG13 VAL 29 -3.849 -3.722 0.806 231 HG21 VAL 29 HG21 VAL 29 -6.871 -3.624 1.408 232 HG22 VAL 29 HG22 VAL 29 -5.734 -4.916 1.791 233 HG23 VAL 29 HG23 VAL 29 -7.182 -5.267 0.847 234 H LEU 30 HN LEU 30 -5.556 -4.934 -3.218 235 HA LEU 30 HA LEU 30 -3.652 -3.115 -4.141 236 HB2 LEU 30 HB2 LEU 30 -3.679 -5.520 -4.676 237 HB3 LEU 30 HB1 LEU 30 -5.090 -5.277 -5.687 238 HG LEU 30 HG LEU 30 -3.710 -3.792 -7.151 239 HD11 LEU 30 HD11 LEU 30 -1.270 -3.914 -6.941 240 HD12 LEU 30 HD12 LEU 30 -1.454 -4.801 -5.428 241 HD13 LEU 30 HD13 LEU 30 -2.018 -3.135 -5.546 242 HD21 LEU 30 HD21 LEU 30 -4.112 -6.149 -7.694 243 HD22 LEU 30 HD22 LEU 30 -2.667 -6.599 -6.788 244 HD23 LEU 30 HD23 LEU 30 -2.523 -5.615 -8.243 245 H ASN 31 HN ASN 31 -6.977 -3.702 -5.239 246 HA ASN 31 HA ASN 31 -6.882 -1.828 -7.363 247 HB2 ASN 31 HB2 ASN 31 -8.538 -3.687 -7.195 248 HB3 ASN 31 HB1 ASN 31 -9.333 -2.810 -5.890 249 HD21 ASN 31 HD21 ASN 31 -11.251 -2.625 -7.029 250 HD22 ASN 31 HD22 ASN 31 -11.421 -1.532 -8.369 251 H ILE 32 HN ILE 32 -8.112 -1.589 -4.017 252 HA ILE 32 HA ILE 32 -9.054 1.049 -4.178 253 HB ILE 32 HB ILE 32 -7.854 -0.340 -1.767 254 HG12 ILE 32 HG12 ILE 32 -10.746 -0.028 -2.618 255 HG13 ILE 32 HG11 ILE 32 -9.808 -1.513 -2.718 256 HG21 ILE 32 HG21 ILE 32 -9.093 1.323 -0.440 257 HG22 ILE 32 HG22 ILE 32 -9.582 2.133 -1.930 258 HG23 ILE 32 HG23 ILE 32 -7.880 2.077 -1.477 259 HD11 ILE 32 HD11 ILE 32 -11.274 -1.542 -0.794 260 HD12 ILE 32 HD12 ILE 32 -10.551 -0.048 -0.198 261 HD13 ILE 32 HD13 ILE 32 -9.585 -1.522 -0.281 262 H LEU 33 HN LEU 33 -5.864 -0.259 -3.416 263 HA LEU 33 HA LEU 33 -4.592 2.070 -2.639 264 HB2 LEU 33 HB2 LEU 33 -3.593 -0.449 -3.897 265 HB3 LEU 33 HB1 LEU 33 -2.496 0.888 -3.618 266 HG LEU 33 HG LEU 33 -4.121 -0.462 -1.453 267 HD11 LEU 33 HD11 LEU 33 -1.216 -0.800 -2.190 268 HD12 LEU 33 HD12 LEU 33 -2.490 -1.996 -2.417 269 HD13 LEU 33 HD13 LEU 33 -2.019 -1.513 -0.789 270 HD21 LEU 33 HD21 LEU 33 -1.694 1.262 -1.030 271 HD22 LEU 33 HD22 LEU 33 -2.973 0.840 0.102 272 HD23 LEU 33 HD23 LEU 33 -3.287 1.987 -1.196 273 H LYS 34 HN LYS 34 -5.411 1.024 -5.869 274 HA LYS 34 HA LYS 34 -3.595 2.792 -7.165 275 HB2 LYS 34 HB2 LYS 34 -4.489 0.716 -8.186 276 HB3 LYS 34 HB1 LYS 34 -6.074 1.467 -8.270 277 HG2 LYS 34 HG2 LYS 34 -3.797 2.859 -9.574 278 HG3 LYS 34 HG1 LYS 34 -4.446 1.406 -10.339 279 HD2 LYS 34 HD2 LYS 34 -6.660 2.397 -10.405 280 HD3 LYS 34 HD1 LYS 34 -6.069 3.824 -9.550 281 HE2 LYS 34 HE2 LYS 34 -6.271 4.223 -11.956 282 HE3 LYS 34 HE1 LYS 34 -4.602 4.361 -11.406 283 HZ1 LYS 34 HZ1 LYS 34 -5.718 1.903 -12.646 284 HZ2 LYS 34 HZ2 LYS 34 -4.086 2.247 -12.317 285 HZ3 LYS 34 HZ3 LYS 34 -4.912 3.115 -13.516 286 H SER 35 HN SER 35 -6.737 3.292 -5.781 287 HA SER 35 HA SER 35 -7.503 5.320 -7.685 288 HB2 SER 35 HB2 SER 35 -9.559 5.509 -6.334 289 HB3 SER 35 HB1 SER 35 -9.203 3.847 -6.795 290 HG SER 35 HG SER 35 -8.268 3.602 -4.662 291 H ASN 36 HN ASN 36 -5.947 5.391 -4.575 292 HA ASN 36 HA ASN 36 -5.656 8.216 -4.513 293 HB2 ASN 36 HB2 ASN 36 -8.113 8.010 -3.941 294 HB3 ASN 36 HB1 ASN 36 -7.626 7.160 -2.477 295 HD21 ASN 36 HD21 ASN 36 -7.691 10.212 -4.137 296 HD22 ASN 36 HD22 ASN 36 -7.281 11.191 -2.762 297 HA PRO 37 HA PRO 37 -3.764 5.478 -0.725 298 HB2 PRO 37 HB2 PRO 37 -4.528 3.070 -2.319 299 HB3 PRO 37 HB1 PRO 37 -4.173 3.208 -0.592 300 HG2 PRO 37 HG2 PRO 37 -6.677 3.112 -1.375 301 HG3 PRO 37 HG1 PRO 37 -6.195 4.290 -0.138 302 HD2 PRO 37 HD2 PRO 37 -6.800 4.713 -3.026 303 HD3 PRO 37 HD1 PRO 37 -7.149 5.758 -1.638 304 H GLN 38 HN GLN 38 -3.608 6.083 -3.937 305 HA GLN 38 HA GLN 38 -1.679 4.649 -5.204 306 HB2 GLN 38 HB2 GLN 38 -1.172 6.692 -6.481 307 HB3 GLN 38 HB1 GLN 38 -2.896 6.384 -6.334 308 HG2 GLN 38 HG2 GLN 38 -3.006 8.055 -4.532 309 HG3 GLN 38 HG1 GLN 38 -1.287 8.380 -4.754 310 HE21 GLN 38 HE21 GLN 38 -4.466 8.722 -6.109 311 HE22 GLN 38 HE22 GLN 38 -4.050 9.889 -7.308 312 H LEU 39 HN LEU 39 -1.123 6.651 -2.476 313 HA LEU 39 HA LEU 39 1.590 7.002 -2.348 314 HB2 LEU 39 HB2 LEU 39 -0.136 7.208 -0.492 315 HB3 LEU 39 HB1 LEU 39 -0.049 5.461 -0.308 316 HG LEU 39 HG LEU 39 1.251 6.930 1.355 317 HD11 LEU 39 HD11 LEU 39 1.562 4.524 1.199 318 HD12 LEU 39 HD12 LEU 39 3.092 5.343 1.509 319 HD13 LEU 39 HD13 LEU 39 2.724 4.749 -0.111 320 HD21 LEU 39 HD21 LEU 39 3.132 7.115 -0.993 321 HD22 LEU 39 HD22 LEU 39 3.483 7.619 0.660 322 HD23 LEU 39 HD23 LEU 39 2.240 8.453 -0.270 323 H MET 40 HN MET 40 -0.231 4.005 -2.466 324 HA MET 40 HA MET 40 1.664 2.034 -2.031 325 HB2 MET 40 HB2 MET 40 0.216 0.585 -3.266 326 HB3 MET 40 HB1 MET 40 -0.794 1.774 -2.474 327 HG2 MET 40 HG2 MET 40 -1.781 1.873 -4.480 328 HG3 MET 40 HG1 MET 40 -0.489 3.022 -4.791 329 HE1 MET 40 HE1 MET 40 -0.614 -0.941 -4.634 330 HE2 MET 40 HE2 MET 40 -0.686 -1.305 -6.360 331 HE3 MET 40 HE3 MET 40 -2.016 -0.444 -5.585 332 H ALA 41 HN ALA 41 1.170 4.093 -4.790 333 HA ALA 41 HA ALA 41 2.555 2.674 -6.754 334 HB1 ALA 41 HB1 ALA 41 2.656 5.669 -6.494 335 HB2 ALA 41 HB2 ALA 41 1.213 4.804 -7.026 336 HB3 ALA 41 HB3 ALA 41 2.709 4.699 -7.969 337 H ALA 42 HN ALA 42 3.788 4.923 -4.312 338 HA ALA 42 HA ALA 42 6.524 4.680 -5.053 339 HB1 ALA 42 HB1 ALA 42 6.996 5.735 -2.901 340 HB2 ALA 42 HB2 ALA 42 5.322 5.484 -2.403 341 HB3 ALA 42 HB3 ALA 42 5.690 6.572 -3.743 342 H PHE 43 HN PHE 43 4.418 2.986 -2.819 343 HA PHE 43 HA PHE 43 6.309 1.405 -1.474 344 HB2 PHE 43 HB2 PHE 43 4.034 1.651 -0.659 345 HB3 PHE 43 HB1 PHE 43 3.389 0.922 -2.120 346 HD1 PHE 43 HD2 PHE 43 6.180 -0.200 0.087 347 HD2 PHE 43 HD1 PHE 43 2.281 -0.972 -1.445 348 HE1 PHE 43 HE2 PHE 43 6.186 -2.401 1.189 349 HE2 PHE 43 HE1 PHE 43 2.274 -3.169 -0.343 350 HZ PHE 43 HZ PHE 43 4.230 -3.889 0.974 351 H ILE 44 HN ILE 44 4.412 0.790 -4.399 352 HA ILE 44 HA ILE 44 5.392 -1.780 -4.981 353 HB ILE 44 HB ILE 44 4.063 0.375 -6.562 354 HG12 ILE 44 HG12 ILE 44 2.411 -1.316 -6.963 355 HG13 ILE 44 HG11 ILE 44 3.422 -2.561 -6.249 356 HG21 ILE 44 HG21 ILE 44 5.274 -2.071 -7.843 357 HG22 ILE 44 HG22 ILE 44 5.767 -0.401 -8.112 358 HG23 ILE 44 HG23 ILE 44 4.167 -0.941 -8.622 359 HD11 ILE 44 HD11 ILE 44 3.217 -1.411 -4.079 360 HD12 ILE 44 HD12 ILE 44 1.667 -1.943 -4.729 361 HD13 ILE 44 HD13 ILE 44 2.130 -0.241 -4.829 362 H LYS 45 HN LYS 45 6.402 1.401 -6.129 363 HA LYS 45 HA LYS 45 8.590 0.580 -7.672 364 HB2 LYS 45 HB2 LYS 45 8.124 3.161 -6.180 365 HB3 LYS 45 HB1 LYS 45 9.446 2.912 -7.314 366 HG2 LYS 45 HG2 LYS 45 6.516 2.705 -7.982 367 HG3 LYS 45 HG1 LYS 45 7.558 4.085 -8.340 368 HD2 LYS 45 HD2 LYS 45 8.910 2.760 -9.810 369 HD3 LYS 45 HD1 LYS 45 8.062 1.287 -9.340 370 HE2 LYS 45 HE2 LYS 45 6.016 2.110 -10.352 371 HE3 LYS 45 HE1 LYS 45 6.803 3.637 -10.752 372 HZ1 LYS 45 HZ1 LYS 45 7.769 1.025 -11.771 373 HZ2 LYS 45 HZ2 LYS 45 8.186 2.576 -12.315 374 HZ3 LYS 45 HZ3 LYS 45 6.631 1.967 -12.600 375 H GLN 46 HN GLN 46 8.395 1.342 -4.223 376 HA GLN 46 HA GLN 46 11.165 0.976 -3.686 377 HB2 GLN 46 HB2 GLN 46 9.602 2.191 -2.177 378 HB3 GLN 46 HB1 GLN 46 8.814 0.666 -1.802 379 HG2 GLN 46 HG2 GLN 46 10.312 1.278 -0.023 380 HG3 GLN 46 HG1 GLN 46 10.915 -0.165 -0.835 381 HE21 GLN 46 HE21 GLN 46 12.800 -0.045 -2.037 382 HE22 GLN 46 HE22 GLN 46 13.890 1.297 -1.919 383 H ARG 47 HN ARG 47 8.500 -1.103 -4.178 384 HA ARG 47 HA ARG 47 8.295 -3.311 -4.525 385 HB2 ARG 47 HB2 ARG 47 10.377 -2.867 -5.871 386 HB3 ARG 47 HB1 ARG 47 11.312 -3.423 -4.492 387 HG2 ARG 47 HG2 ARG 47 10.696 -5.619 -4.782 388 HG3 ARG 47 HG1 ARG 47 9.196 -5.199 -5.613 389 HD2 ARG 47 HD2 ARG 47 11.930 -4.722 -6.785 390 HD3 ARG 47 HD1 ARG 47 11.001 -6.196 -7.063 391 HE ARG 47 HE ARG 47 9.273 -4.197 -7.726 392 HH11 ARG 47 HH11 ARG 47 12.522 -5.002 -8.773 393 HH12 ARG 47 HH12 ARG 47 12.278 -4.407 -10.384 394 HH21 ARG 47 HH21 ARG 47 8.953 -3.421 -9.809 395 HH22 ARG 47 HH22 ARG 47 10.233 -3.511 -10.986 396 H THR 48 HN THR 48 8.244 -2.312 -1.889 397 HA THR 48 HA THR 48 8.077 -3.029 0.261 398 HB THR 48 HB THR 48 8.254 -5.851 -0.797 399 HG1 THR 48 HG1 THR 48 5.890 -5.488 -1.130 400 HG21 THR 48 HG21 THR 48 7.994 -5.560 1.636 401 HG22 THR 48 HG22 THR 48 6.557 -6.285 0.913 402 HG23 THR 48 HG23 THR 48 6.555 -4.578 1.359 403 H ALA 49 HN ALA 49 10.683 -2.395 -0.546 404 HA ALA 49 HA ALA 49 12.483 -4.495 0.257 405 HB1 ALA 49 HB1 ALA 49 13.042 -2.945 -1.568 406 HB2 ALA 49 HB2 ALA 49 14.255 -2.946 -0.286 407 HB3 ALA 49 HB3 ALA 49 13.094 -1.621 -0.405 408 H LYS 50 HN LYS 50 11.122 -4.370 2.424 409 HA LYS 50 HA LYS 50 12.615 -2.650 4.279 410 HB2 LYS 50 HB2 LYS 50 10.107 -4.280 4.743 411 HB3 LYS 50 HB1 LYS 50 10.937 -3.344 5.976 412 HG2 LYS 50 HG2 LYS 50 10.548 -1.309 4.577 413 HG3 LYS 50 HG1 LYS 50 9.544 -2.301 3.523 414 HD2 LYS 50 HD2 LYS 50 9.047 -2.052 6.482 415 HD3 LYS 50 HD1 LYS 50 8.343 -0.946 5.305 416 HE2 LYS 50 HE2 LYS 50 6.704 -2.599 5.755 417 HE3 LYS 50 HE1 LYS 50 7.357 -2.953 4.159 418 HZ1 LYS 50 HZ1 LYS 50 8.644 -4.734 5.055 419 HZ2 LYS 50 HZ2 LYS 50 7.054 -4.929 5.599 420 HZ3 LYS 50 HZ3 LYS 50 8.238 -4.322 6.648 421 H TYR 51 HN TYR 51 14.355 -3.521 5.124 422 HA TYR 51 HA TYR 51 14.807 -6.361 4.889 423 HB2 TYR 51 HB2 TYR 51 16.571 -4.203 6.061 424 HB3 TYR 51 HB1 TYR 51 17.061 -5.864 5.752 425 HD1 TYR 51 HD1 TYR 51 16.448 -6.607 3.191 426 HD2 TYR 51 HD2 TYR 51 17.305 -2.664 4.534 427 HE1 TYR 51 HE1 TYR 51 17.129 -5.985 0.912 428 HE2 TYR 51 HE2 TYR 51 17.990 -2.029 2.260 429 HH TYR 51 HH TYR 51 18.823 -3.133 0.213 430 H VAL 52 HN VAL 52 13.096 -4.710 7.026 431 HA VAL 52 HA VAL 52 12.199 -5.180 9.041 432 HB VAL 52 HB VAL 52 13.756 -7.766 8.869 433 HG11 VAL 52 HG11 VAL 52 12.124 -8.595 10.527 434 HG12 VAL 52 HG12 VAL 52 11.466 -6.966 10.669 435 HG13 VAL 52 HG13 VAL 52 13.127 -7.290 11.162 436 HG21 VAL 52 HG21 VAL 52 12.192 -7.484 7.016 437 HG22 VAL 52 HG22 VAL 52 10.886 -7.150 8.158 438 HG23 VAL 52 HG23 VAL 52 11.643 -8.745 8.121 439 H ALA 53 HN ALA 53 13.007 -3.660 10.326 440 HA ALA 53 HA ALA 53 15.623 -4.005 11.564 441 HB1 ALA 53 HB1 ALA 53 13.574 -1.813 11.915 442 HB2 ALA 53 HB2 ALA 53 14.959 -1.761 10.823 443 HB3 ALA 53 HB3 ALA 53 15.210 -1.818 12.569 444 H ASN 54 HN ASN 54 15.896 -4.221 13.822 445 HA ASN 54 HA ASN 54 13.908 -5.861 15.076 446 HB2 ASN 54 HB2 ASN 54 16.579 -4.804 15.997 447 HB3 ASN 54 HB1 ASN 54 15.532 -5.745 17.052 448 HD21 ASN 54 HD21 ASN 54 15.303 -7.924 16.709 449 HD22 ASN 54 HD22 ASN 54 16.305 -8.807 15.613 450 H GLN 55 HN GLN 55 12.382 -3.937 14.762 451 HA GLN 55 HA GLN 55 12.419 -2.212 17.152 452 HB2 GLN 55 HB2 GLN 55 12.430 -1.014 15.003 453 HB3 GLN 55 HB1 GLN 55 10.973 -1.865 14.513 454 HG2 GLN 55 HG2 GLN 55 9.847 -0.833 16.518 455 HG3 GLN 55 HG1 GLN 55 11.280 0.179 16.688 456 HE21 GLN 55 HE21 GLN 55 9.994 -0.852 13.608 457 HE22 GLN 55 HE22 GLN 55 9.445 0.705 13.091 458 HA PRO 56 HA PRO 56 8.991 -4.832 18.406 459 HB2 PRO 56 HB2 PRO 56 8.803 -3.051 20.716 460 HB3 PRO 56 HB1 PRO 56 9.227 -4.764 20.660 461 HG2 PRO 56 HG2 PRO 56 11.031 -2.841 21.255 462 HG3 PRO 56 HG1 PRO 56 11.472 -4.336 20.413 463 HD2 PRO 56 HD2 PRO 56 10.996 -1.596 19.291 464 HD3 PRO 56 HD1 PRO 56 12.259 -2.778 18.880 465 H GLY 57 HN GLY 57 8.001 -3.522 16.493 466 HA2 GLY 57 HA2 GLY 57 6.087 -1.517 17.461 467 HA3 GLY 57 HA1 GLY 57 6.472 -1.847 15.777 468 H MET 58 HN MET 58 3.874 -1.718 17.189 469 HA MET 58 HA MET 58 2.952 -4.474 17.172 470 HB2 MET 58 HB2 MET 58 1.408 -1.920 17.656 471 HB3 MET 58 HB1 MET 58 0.804 -3.552 17.900 472 HG2 MET 58 HG2 MET 58 2.493 -3.906 19.638 473 HG3 MET 58 HG1 MET 58 3.059 -2.253 19.413 474 HE1 MET 58 HE1 MET 58 -0.650 -3.666 19.417 475 HE2 MET 58 HE2 MET 58 -1.061 -3.438 21.119 476 HE3 MET 58 HE3 MET 58 0.206 -4.577 20.661 477 H GLN 59 HN GLN 59 2.120 -5.428 15.467 478 HA GLN 59 HA GLN 59 0.991 -3.772 13.310 479 HB2 GLN 59 HB2 GLN 59 3.266 -4.623 12.728 480 HB3 GLN 59 HB1 GLN 59 2.669 -6.261 12.941 481 HG2 GLN 59 HG2 GLN 59 1.048 -5.884 11.126 482 HG3 GLN 59 HG1 GLN 59 1.718 -4.270 10.893 483 HE21 GLN 59 HE21 GLN 59 2.351 -4.690 8.787 484 HE22 GLN 59 HE22 GLN 59 3.685 -5.731 8.414
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