NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
613909 | 5iir | 30028 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 -23.637 -7.703 -5.827 2 H2 GLY 1 HT2 GLY 1 -23.075 -7.729 -4.234 3 H3 GLY 1 HT3 GLY 1 -22.104 -7.086 -5.462 4 HA2 GLY 1 HA1 GLY 1 -23.677 -5.297 -5.816 5 HA3 GLY 1 HA2 GLY 1 -24.694 -5.968 -4.549 6 H SER 2 HN SER 2 -22.994 -3.443 -5.028 7 HA SER 2 HA SER 2 -21.673 -2.004 -3.872 8 HB2 SER 2 HB2 SER 2 -22.627 -1.529 -1.585 9 HB3 SER 2 HB1 SER 2 -23.777 -1.504 -2.923 10 HG SER 2 HG SER 2 -24.776 -3.176 -2.102 11 H MET 3 HN MET 3 -22.200 -3.957 -1.003 12 HA MET 3 HA MET 3 -19.778 -3.439 0.159 13 HB2 MET 3 HB2 MET 3 -21.713 -5.696 0.478 14 HB3 MET 3 HB1 MET 3 -20.188 -5.740 1.345 15 HG2 MET 3 HG2 MET 3 -21.949 -4.870 2.746 16 HG3 MET 3 HG1 MET 3 -20.734 -3.635 2.440 17 HE1 MET 3 HE1 MET 3 -21.133 -1.794 0.364 18 HE2 MET 3 HE2 MET 3 -21.383 -1.304 2.039 19 HE3 MET 3 HE3 MET 3 -22.537 -0.820 0.798 20 H LYS 4 HN LYS 4 -20.517 -6.227 -1.938 21 HA LYS 4 HA LYS 4 -17.994 -7.463 -1.395 22 HB2 LYS 4 HB2 LYS 4 -20.026 -8.033 -3.551 23 HB3 LYS 4 HB1 LYS 4 -18.633 -9.042 -3.182 24 HG2 LYS 4 HG2 LYS 4 -19.506 -9.458 -0.950 25 HG3 LYS 4 HG1 LYS 4 -20.885 -8.411 -1.286 26 HD2 LYS 4 HD2 LYS 4 -21.569 -9.918 -3.103 27 HD3 LYS 4 HD1 LYS 4 -20.204 -10.973 -2.727 28 HE2 LYS 4 HE2 LYS 4 -21.100 -11.368 -0.500 29 HE3 LYS 4 HE1 LYS 4 -22.438 -10.268 -0.828 30 HZ1 LYS 4 HZ1 LYS 4 -21.903 -12.799 -2.283 31 HZ2 LYS 4 HZ2 LYS 4 -23.200 -11.754 -2.559 32 HZ3 LYS 4 HZ3 LYS 4 -23.083 -12.585 -1.094 33 H GLN 5 HN GLN 5 -18.892 -4.958 -3.466 34 HA GLN 5 HA GLN 5 -16.740 -5.527 -5.372 35 HB2 GLN 5 HB2 GLN 5 -19.172 -3.770 -5.476 36 HB3 GLN 5 HB1 GLN 5 -17.798 -3.420 -6.512 37 HG2 GLN 5 HG2 GLN 5 -19.498 -4.718 -7.667 38 HG3 GLN 5 HG1 GLN 5 -17.982 -5.602 -7.545 39 HE21 GLN 5 HE21 GLN 5 -17.901 -7.471 -6.353 40 HE22 GLN 5 HE22 GLN 5 -19.312 -8.245 -5.719 41 H LEU 6 HN LEU 6 -17.995 -3.141 -3.148 42 HA LEU 6 HA LEU 6 -15.845 -1.310 -3.381 43 HB2 LEU 6 HB2 LEU 6 -18.004 -1.783 -1.359 44 HB3 LEU 6 HB1 LEU 6 -16.677 -0.721 -0.958 45 HG LEU 6 HG LEU 6 -18.720 0.467 -1.740 46 HD11 LEU 6 HD11 LEU 6 -16.394 0.847 -3.622 47 HD12 LEU 6 HD12 LEU 6 -16.430 1.430 -1.960 48 HD13 LEU 6 HD13 LEU 6 -17.592 2.043 -3.134 49 HD21 LEU 6 HD21 LEU 6 -19.272 0.443 -4.124 50 HD22 LEU 6 HD22 LEU 6 -19.504 -1.141 -3.385 51 HD23 LEU 6 HD23 LEU 6 -18.086 -0.835 -4.386 52 H GLU 7 HN GLU 7 -16.596 -3.909 -1.063 53 HA GLU 7 HA GLU 7 -14.199 -3.689 0.401 54 HB2 GLU 7 HB2 GLU 7 -16.435 -5.057 0.829 55 HB3 GLU 7 HB1 GLU 7 -15.510 -6.352 0.087 56 HG2 GLU 7 HG2 GLU 7 -14.617 -4.776 2.493 57 HG3 GLU 7 HG1 GLU 7 -15.432 -6.334 2.561 58 H ASP 8 HN ASP 8 -15.036 -5.533 -2.550 59 HA ASP 8 HA ASP 8 -12.555 -6.911 -2.681 60 HB2 ASP 8 HB2 ASP 8 -14.786 -6.460 -4.510 61 HB3 ASP 8 HB1 ASP 8 -13.230 -6.545 -5.330 62 H LYS 9 HN LYS 9 -13.475 -3.672 -3.575 63 HA LYS 9 HA LYS 9 -11.100 -3.056 -5.030 64 HB2 LYS 9 HB2 LYS 9 -13.242 -1.779 -5.209 65 HB3 LYS 9 HB1 LYS 9 -12.982 -1.177 -3.580 66 HG2 LYS 9 HG2 LYS 9 -12.332 0.509 -5.148 67 HG3 LYS 9 HG1 LYS 9 -10.887 -0.113 -4.349 68 HD2 LYS 9 HD2 LYS 9 -10.349 -1.466 -6.269 69 HD3 LYS 9 HD1 LYS 9 -11.863 -1.017 -7.055 70 HE2 LYS 9 HE2 LYS 9 -9.995 0.244 -7.976 71 HE3 LYS 9 HE1 LYS 9 -11.129 1.310 -7.153 72 HZ1 LYS 9 HZ1 LYS 9 -8.601 0.298 -5.973 73 HZ2 LYS 9 HZ2 LYS 9 -9.658 1.415 -5.271 74 HZ3 LYS 9 HZ3 LYS 9 -8.797 1.827 -6.663 75 H VAL 10 HN VAL 10 -12.170 -2.598 -1.690 76 HA VAL 10 HA VAL 10 -9.895 -1.271 -0.700 77 HB VAL 10 HB VAL 10 -11.521 -3.221 0.921 78 HG11 VAL 10 HG11 VAL 10 -11.062 -1.666 2.742 79 HG12 VAL 10 HG12 VAL 10 -10.155 -0.638 1.630 80 HG13 VAL 10 HG13 VAL 10 -9.575 -2.264 2.007 81 HG21 VAL 10 HG21 VAL 10 -12.291 -0.351 0.545 82 HG22 VAL 10 HG22 VAL 10 -13.205 -1.637 1.330 83 HG23 VAL 10 HG23 VAL 10 -12.987 -1.650 -0.420 84 H GLU 11 HN GLU 11 -10.757 -4.716 -0.720 85 HA GLU 11 HA GLU 11 -8.458 -5.649 0.626 86 HB2 GLU 11 HB2 GLU 11 -10.497 -6.963 0.486 87 HB3 GLU 11 HB1 GLU 11 -10.381 -7.035 -1.264 88 HG2 GLU 11 HG2 GLU 11 -9.731 -9.141 -0.334 89 HG3 GLU 11 HG1 GLU 11 -8.319 -8.363 -1.044 90 H GLU 12 HN GLU 12 -9.061 -4.935 -2.755 91 HA GLU 12 HA GLU 12 -6.793 -6.305 -3.777 92 HB2 GLU 12 HB2 GLU 12 -8.755 -5.600 -5.161 93 HB3 GLU 12 HB1 GLU 12 -8.220 -3.933 -4.993 94 HG2 GLU 12 HG2 GLU 12 -6.170 -4.429 -6.161 95 HG3 GLU 12 HG1 GLU 12 -6.594 -6.138 -6.238 96 H LEU 13 HN LEU 13 -7.406 -2.991 -2.692 97 HA LEU 13 HA LEU 13 -4.761 -2.070 -3.166 98 HB2 LEU 13 HB2 LEU 13 -6.895 -1.102 -1.275 99 HB3 LEU 13 HB1 LEU 13 -5.344 -0.309 -1.459 100 HG LEU 13 HG LEU 13 -7.510 -0.574 -3.537 101 HD11 LEU 13 HD11 LEU 13 -7.831 1.159 -1.845 102 HD12 LEU 13 HD12 LEU 13 -7.512 1.851 -3.436 103 HD13 LEU 13 HD13 LEU 13 -6.237 1.815 -2.218 104 HD21 LEU 13 HD21 LEU 13 -4.725 0.548 -3.821 105 HD22 LEU 13 HD22 LEU 13 -6.017 0.712 -5.008 106 HD23 LEU 13 HD23 LEU 13 -5.366 -0.881 -4.631 107 H LEU 14 HN LEU 14 -6.345 -3.772 -0.579 108 HA LEU 14 HA LEU 14 -4.318 -3.621 1.374 109 HB2 LEU 14 HB2 LEU 14 -6.781 -4.574 1.425 110 HB3 LEU 14 HB1 LEU 14 -5.983 -6.076 1.015 111 HG LEU 14 HG LEU 14 -4.517 -5.707 3.067 112 HD11 LEU 14 HD11 LEU 14 -5.422 -4.285 4.807 113 HD12 LEU 14 HD12 LEU 14 -6.717 -3.761 3.729 114 HD13 LEU 14 HD13 LEU 14 -5.041 -3.334 3.372 115 HD21 LEU 14 HD21 LEU 14 -7.472 -6.133 3.468 116 HD22 LEU 14 HD22 LEU 14 -6.190 -6.636 4.568 117 HD23 LEU 14 HD23 LEU 14 -6.314 -7.364 2.967 118 H SER 15 HN SER 15 -4.682 -5.450 -1.523 119 HA SER 15 HA SER 15 -2.789 -7.498 -0.885 120 HB2 SER 15 HB2 SER 15 -3.899 -6.686 -3.583 121 HB3 SER 15 HB1 SER 15 -3.081 -8.202 -3.202 122 HG SER 15 HG SER 15 -5.472 -7.331 -1.930 123 H LYS 16 HN LYS 16 -2.734 -4.566 -2.922 124 HA LYS 16 HA LYS 16 0.050 -4.879 -3.480 125 HB2 LYS 16 HB2 LYS 16 -0.003 -2.597 -4.362 126 HB3 LYS 16 HB1 LYS 16 -1.273 -3.600 -5.048 127 HG2 LYS 16 HG2 LYS 16 -2.898 -2.546 -3.560 128 HG3 LYS 16 HG1 LYS 16 -1.619 -1.551 -2.869 129 HD2 LYS 16 HD2 LYS 16 -2.393 -1.537 -5.785 130 HD3 LYS 16 HD1 LYS 16 -3.021 -0.405 -4.591 131 HE2 LYS 16 HE2 LYS 16 -1.292 0.803 -5.513 132 HE3 LYS 16 HE1 LYS 16 -0.508 0.074 -4.115 133 HZ1 LYS 16 HZ1 LYS 16 -0.367 -0.979 -6.889 134 HZ2 LYS 16 HZ2 LYS 16 0.443 -1.605 -5.547 135 HZ3 LYS 16 HZ3 LYS 16 0.841 -0.073 -6.131 136 H ASN 17 HN ASN 17 -1.820 -3.165 -1.040 137 HA ASN 17 HA ASN 17 0.238 -1.828 0.288 138 HB2 ASN 17 HB2 ASN 17 -2.396 -2.942 1.044 139 HB3 ASN 17 HB1 ASN 17 -1.259 -2.747 2.373 140 HD21 ASN 17 HD21 ASN 17 -3.783 -1.339 1.573 141 HD22 ASN 17 HD22 ASN 17 -3.361 0.336 1.575 142 H TYR 18 HN TYR 18 -0.776 -5.215 0.408 143 HA TYR 18 HA TYR 18 1.109 -6.069 2.321 144 HB2 TYR 18 HB2 TYR 18 -0.759 -7.484 1.651 145 HB3 TYR 18 HB1 TYR 18 -0.129 -7.582 0.011 146 HD1 TYR 18 HD1 TYR 18 0.767 -8.405 3.533 147 HD2 TYR 18 HD2 TYR 18 1.263 -9.343 -0.584 148 HE1 TYR 18 HE1 TYR 18 2.049 -10.409 4.151 149 HE2 TYR 18 HE2 TYR 18 2.543 -11.348 0.021 150 HH TYR 18 HH TYR 18 2.673 -12.570 3.197 151 H HIS 19 HN HIS 19 1.287 -5.874 -1.217 152 HA HIS 19 HA HIS 19 3.869 -6.996 -1.455 153 HB2 HIS 19 HB2 HIS 19 2.127 -5.382 -3.267 154 HB3 HIS 19 HB1 HIS 19 3.809 -5.649 -3.706 155 HD1 HIS 19 HD1 HIS 19 4.426 -7.903 -4.640 156 HD2 HIS 19 HD2 HIS 19 0.550 -7.778 -3.143 157 HE1 HIS 19 HE1 HIS 19 3.349 -10.054 -5.374 158 HE2 HIS 19 HE2 HIS 19 1.049 -10.014 -4.340 159 H LEU 20 HN LEU 20 2.823 -3.582 -1.476 160 HA LEU 20 HA LEU 20 5.334 -2.408 -1.806 161 HB2 LEU 20 HB2 LEU 20 3.114 -1.331 -0.076 162 HB3 LEU 20 HB1 LEU 20 4.388 -0.395 -0.819 163 HG LEU 20 HG LEU 20 2.035 -1.687 -2.088 164 HD11 LEU 20 HD11 LEU 20 3.052 1.130 -2.058 165 HD12 LEU 20 HD12 LEU 20 1.650 0.499 -1.194 166 HD13 LEU 20 HD13 LEU 20 1.642 0.571 -2.955 167 HD21 LEU 20 HD21 LEU 20 2.927 -1.008 -4.281 168 HD22 LEU 20 HD22 LEU 20 3.930 -2.234 -3.507 169 HD23 LEU 20 HD23 LEU 20 4.440 -0.545 -3.500 170 H GLU 21 HN GLU 21 3.554 -3.057 1.171 171 HA GLU 21 HA GLU 21 5.516 -2.142 2.947 172 HB2 GLU 21 HB2 GLU 21 2.982 -3.089 3.225 173 HB3 GLU 21 HB1 GLU 21 3.907 -4.426 3.892 174 HG2 GLU 21 HG2 GLU 21 4.071 -1.555 4.787 175 HG3 GLU 21 HG1 GLU 21 3.206 -2.845 5.615 176 H ASN 22 HN ASN 22 4.982 -5.397 1.623 177 HA ASN 22 HA ASN 22 7.108 -6.648 2.999 178 HB2 ASN 22 HB2 ASN 22 5.558 -7.293 0.522 179 HB3 ASN 22 HB1 ASN 22 7.018 -8.207 0.881 180 HD21 ASN 22 HD21 ASN 22 5.858 -10.090 1.163 181 HD22 ASN 22 HD22 ASN 22 4.888 -10.379 2.565 182 H GLU 23 HN GLU 23 6.933 -4.950 -0.093 183 HA GLU 23 HA GLU 23 9.578 -5.505 -0.921 184 HB2 GLU 23 HB2 GLU 23 7.698 -4.587 -2.346 185 HB3 GLU 23 HB1 GLU 23 7.983 -3.027 -1.587 186 HG2 GLU 23 HG2 GLU 23 9.091 -3.060 -3.700 187 HG3 GLU 23 HG1 GLU 23 10.313 -3.097 -2.429 188 H VAL 24 HN VAL 24 8.154 -2.859 0.950 189 HA VAL 24 HA VAL 24 10.446 -1.295 1.295 190 HB VAL 24 HB VAL 24 8.206 -1.704 3.302 191 HG11 VAL 24 HG11 VAL 24 10.161 0.572 3.007 192 HG12 VAL 24 HG12 VAL 24 10.207 -0.663 4.267 193 HG13 VAL 24 HG13 VAL 24 8.854 0.466 4.189 194 HG21 VAL 24 HG21 VAL 24 7.357 -0.962 1.138 195 HG22 VAL 24 HG22 VAL 24 8.498 0.382 1.146 196 HG23 VAL 24 HG23 VAL 24 7.214 0.309 2.352 197 H ALA 25 HN ALA 25 9.183 -3.997 3.224 198 HA ALA 25 HA ALA 25 11.063 -3.932 5.293 199 HB1 ALA 25 HB1 ALA 25 9.607 -6.327 4.164 200 HB2 ALA 25 HB2 ALA 25 8.989 -5.230 5.400 201 HB3 ALA 25 HB3 ALA 25 10.392 -6.245 5.742 202 H ARG 26 HN ARG 26 11.123 -5.661 2.203 203 HA ARG 26 HA ARG 26 13.559 -7.024 2.636 204 HB2 ARG 26 HB2 ARG 26 12.257 -6.172 0.044 205 HB3 ARG 26 HB1 ARG 26 13.582 -7.319 0.178 206 HG2 ARG 26 HG2 ARG 26 12.163 -8.830 1.456 207 HG3 ARG 26 HG1 ARG 26 10.834 -7.673 1.359 208 HD2 ARG 26 HD2 ARG 26 10.866 -7.866 -1.089 209 HD3 ARG 26 HD1 ARG 26 12.168 -9.048 -0.969 210 HE ARG 26 HE ARG 26 9.873 -9.803 0.556 211 HH11 ARG 26 HH11 ARG 26 11.236 -9.771 -2.662 212 HH12 ARG 26 HH12 ARG 26 10.293 -11.116 -3.215 213 HH21 ARG 26 HH21 ARG 26 8.630 -11.581 -0.165 214 HH22 ARG 26 HH22 ARG 26 8.813 -12.146 -1.795 215 H LEU 27 HN LEU 27 12.821 -4.000 0.927 216 HA LEU 27 HA LEU 27 15.457 -3.374 0.187 217 HB2 LEU 27 HB2 LEU 27 12.932 -1.834 0.498 218 HB3 LEU 27 HB1 LEU 27 14.427 -0.946 0.395 219 HG LEU 27 HG LEU 27 14.842 -1.638 -1.820 220 HD11 LEU 27 HD11 LEU 27 12.609 -3.643 -1.528 221 HD12 LEU 27 HD12 LEU 27 14.333 -4.016 -1.561 222 HD13 LEU 27 HD13 LEU 27 13.553 -3.333 -2.986 223 HD21 LEU 27 HD21 LEU 27 12.757 -1.051 -2.996 224 HD22 LEU 27 HD22 LEU 27 13.141 0.052 -1.676 225 HD23 LEU 27 HD23 LEU 27 11.891 -1.174 -1.466 226 H LYS 28 HN LYS 28 13.585 -2.566 3.089 227 HA LYS 28 HA LYS 28 15.582 -0.814 4.118 228 HB2 LYS 28 HB2 LYS 28 13.044 -0.903 4.669 229 HB3 LYS 28 HB1 LYS 28 13.510 -2.124 5.847 230 HG2 LYS 28 HG2 LYS 28 13.364 0.080 6.868 231 HG3 LYS 28 HG1 LYS 28 15.019 -0.534 6.915 232 HD2 LYS 28 HD2 LYS 28 15.562 0.818 4.940 233 HD3 LYS 28 HD1 LYS 28 13.914 1.437 4.916 234 HE2 LYS 28 HE2 LYS 28 15.407 3.038 5.923 235 HE3 LYS 28 HE1 LYS 28 14.271 2.426 7.125 236 HZ1 LYS 28 HZ1 LYS 28 16.559 2.581 7.961 237 HZ2 LYS 28 HZ2 LYS 28 17.066 1.467 6.794 238 HZ3 LYS 28 HZ3 LYS 28 15.978 0.994 8.000 239 H LYS 29 HN LYS 29 15.359 -4.173 3.972 240 HA LYS 29 HA LYS 29 16.984 -4.744 6.270 241 HB2 LYS 29 HB2 LYS 29 15.547 -6.474 5.340 242 HB3 LYS 29 HB1 LYS 29 16.357 -6.356 3.786 243 HG2 LYS 29 HG2 LYS 29 18.396 -7.238 4.738 244 HG3 LYS 29 HG1 LYS 29 17.658 -7.268 6.346 245 HD2 LYS 29 HD2 LYS 29 16.046 -8.909 5.630 246 HD3 LYS 29 HD1 LYS 29 16.629 -8.805 3.961 247 HE2 LYS 29 HE2 LYS 29 18.284 -9.716 6.310 248 HE3 LYS 29 HE1 LYS 29 17.457 -10.797 5.192 249 HZ1 LYS 29 HZ1 LYS 29 18.782 -9.854 3.388 250 HZ2 LYS 29 HZ2 LYS 29 19.761 -10.544 4.579 251 HZ3 LYS 29 HZ3 LYS 29 19.601 -8.865 4.489 252 H LEU 30 HN LEU 30 17.475 -4.151 2.846 253 HA LEU 30 HA LEU 30 20.334 -4.463 2.978 254 HB2 LEU 30 HB2 LEU 30 18.451 -3.469 0.857 255 HB3 LEU 30 HB1 LEU 30 20.186 -3.302 0.677 256 HG LEU 30 HG LEU 30 20.379 -5.791 0.921 257 HD11 LEU 30 HD11 LEU 30 18.383 -7.148 0.562 258 HD12 LEU 30 HD12 LEU 30 17.381 -5.699 0.644 259 HD13 LEU 30 HD13 LEU 30 18.280 -6.231 2.065 260 HD21 LEU 30 HD21 LEU 30 19.617 -6.268 -1.354 261 HD22 LEU 30 HD22 LEU 30 20.459 -4.722 -1.254 262 HD23 LEU 30 HD23 LEU 30 18.698 -4.763 -1.358 263 H VAL 31 HN VAL 31 18.024 -1.820 3.071 264 HA VAL 31 HA VAL 31 20.155 0.113 3.578 265 HB VAL 31 HB VAL 31 17.172 0.619 3.704 266 HG11 VAL 31 HG11 VAL 31 19.498 2.485 3.253 267 HG12 VAL 31 HG12 VAL 31 18.566 2.333 4.742 268 HG13 VAL 31 HG13 VAL 31 17.794 2.941 3.277 269 HG21 VAL 31 HG21 VAL 31 19.003 0.884 1.324 270 HG22 VAL 31 HG22 VAL 31 17.334 1.450 1.403 271 HG23 VAL 31 HG23 VAL 31 17.685 -0.275 1.508 272 H GLY 32 HN GLY 32 19.791 -2.127 5.284 273 HA2 GLY 32 HA2 GLY 32 19.185 -0.763 7.819 274 HA3 GLY 32 HA1 GLY 32 18.524 -2.360 7.484 275 H GLU 33 HN GLU 33 20.444 -3.826 6.506 276 HA GLU 33 HA GLU 33 22.530 -3.754 8.570 277 HB2 GLU 33 HB2 GLU 33 21.623 -6.035 6.803 278 HB3 GLU 33 HB1 GLU 33 22.860 -6.139 8.049 279 HG2 GLU 33 HG2 GLU 33 21.196 -5.596 9.751 280 HG3 GLU 33 HG1 GLU 33 19.957 -5.488 8.502 281 H1 GLY 1 HT1 GLY 1 -23.800 7.814 4.860 282 H2 GLY 1 HT2 GLY 1 -23.168 7.858 3.293 283 H3 GLY 1 HT3 GLY 1 -22.258 7.188 4.554 284 HA2 GLY 1 HA1 GLY 1 -23.856 5.411 4.812 285 HA3 GLY 1 HA2 GLY 1 -24.813 6.107 3.512 286 H SER 2 HN SER 2 -23.151 3.572 4.038 287 HA SER 2 HA SER 2 -21.803 2.124 2.926 288 HB2 SER 2 HB2 SER 2 -22.669 1.688 0.591 289 HB3 SER 2 HB1 SER 2 -23.872 1.658 1.884 290 HG SER 2 HG SER 2 -24.826 3.341 1.034 291 H MET 3 HN MET 3 -22.192 4.109 0.058 292 HA MET 3 HA MET 3 -19.731 3.577 -1.011 293 HB2 MET 3 HB2 MET 3 -21.627 5.858 -1.391 294 HB3 MET 3 HB1 MET 3 -20.065 5.893 -2.192 295 HG2 MET 3 HG2 MET 3 -21.772 5.050 -3.675 296 HG3 MET 3 HG1 MET 3 -20.586 3.800 -3.322 297 HE1 MET 3 HE1 MET 3 -21.095 1.945 -1.283 298 HE2 MET 3 HE2 MET 3 -21.280 1.472 -2.971 299 HE3 MET 3 HE3 MET 3 -22.493 0.993 -1.784 300 H LYS 4 HN LYS 4 -20.525 6.353 1.079 301 HA LYS 4 HA LYS 4 -17.972 7.571 0.657 302 HB2 LYS 4 HB2 LYS 4 -20.084 8.137 2.735 303 HB3 LYS 4 HB1 LYS 4 -18.671 9.138 2.429 304 HG2 LYS 4 HG2 LYS 4 -19.453 9.582 0.169 305 HG3 LYS 4 HG1 LYS 4 -20.852 8.542 0.442 306 HD2 LYS 4 HD2 LYS 4 -21.593 10.036 2.245 307 HD3 LYS 4 HD1 LYS 4 -20.208 11.084 1.933 308 HE2 LYS 4 HE2 LYS 4 -21.014 11.502 -0.325 309 HE3 LYS 4 HE1 LYS 4 -22.378 10.419 -0.053 310 HZ1 LYS 4 HZ1 LYS 4 -21.857 12.937 1.429 311 HZ2 LYS 4 HZ2 LYS 4 -23.176 11.904 1.670 312 HZ3 LYS 4 HZ3 LYS 4 -23.008 12.735 0.207 313 H GLN 5 HN GLN 5 -18.977 5.053 2.661 314 HA GLN 5 HA GLN 5 -16.902 5.585 4.661 315 HB2 GLN 5 HB2 GLN 5 -19.350 3.848 4.646 316 HB3 GLN 5 HB1 GLN 5 -18.025 3.479 5.737 317 HG2 GLN 5 HG2 GLN 5 -19.768 4.781 6.827 318 HG3 GLN 5 HG1 GLN 5 -18.237 5.648 6.784 319 HE21 GLN 5 HE21 GLN 5 -18.077 7.527 5.617 320 HE22 GLN 5 HE22 GLN 5 -19.446 8.327 4.929 321 H LEU 6 HN LEU 6 -18.085 3.227 2.364 322 HA LEU 6 HA LEU 6 -15.963 1.378 2.668 323 HB2 LEU 6 HB2 LEU 6 -18.033 1.891 0.563 324 HB3 LEU 6 HB1 LEU 6 -16.700 0.818 0.206 325 HG LEU 6 HG LEU 6 -18.782 -0.355 0.895 326 HD11 LEU 6 HD11 LEU 6 -16.539 -0.777 2.864 327 HD12 LEU 6 HD12 LEU 6 -16.515 -1.343 1.197 328 HD13 LEU 6 HD13 LEU 6 -17.729 -1.955 2.318 329 HD21 LEU 6 HD21 LEU 6 -19.433 -0.349 3.251 330 HD22 LEU 6 HD22 LEU 6 -19.618 1.245 2.521 331 HD23 LEU 6 HD23 LEU 6 -18.246 0.915 3.577 332 H GLU 7 HN GLU 7 -16.594 4.003 0.348 333 HA GLU 7 HA GLU 7 -14.140 3.774 -1.021 334 HB2 GLU 7 HB2 GLU 7 -16.347 5.160 -1.534 335 HB3 GLU 7 HB1 GLU 7 -15.452 6.441 -0.740 336 HG2 GLU 7 HG2 GLU 7 -14.461 4.890 -3.120 337 HG3 GLU 7 HG1 GLU 7 -15.266 6.451 -3.209 338 H ASP 8 HN ASP 8 -15.083 5.601 1.911 339 HA ASP 8 HA ASP 8 -12.598 6.957 2.152 340 HB2 ASP 8 HB2 ASP 8 -14.906 6.506 3.881 341 HB3 ASP 8 HB1 ASP 8 -13.386 6.577 4.768 342 H LYS 9 HN LYS 9 -13.581 3.718 2.972 343 HA LYS 9 HA LYS 9 -11.274 3.070 4.520 344 HB2 LYS 9 HB2 LYS 9 -13.431 1.810 4.603 345 HB3 LYS 9 HB1 LYS 9 -13.110 1.217 2.981 346 HG2 LYS 9 HG2 LYS 9 -12.541 -0.484 4.564 347 HG3 LYS 9 HG1 LYS 9 -11.059 0.127 3.827 348 HD2 LYS 9 HD2 LYS 9 -10.587 1.464 5.778 349 HD3 LYS 9 HD1 LYS 9 -12.135 1.021 6.499 350 HE2 LYS 9 HE2 LYS 9 -10.314 -0.265 7.482 351 HE3 LYS 9 HE1 LYS 9 -11.424 -1.314 6.603 352 HZ1 LYS 9 HZ1 LYS 9 -8.842 -0.306 5.538 353 HZ2 LYS 9 HZ2 LYS 9 -9.888 -1.396 4.774 354 HZ3 LYS 9 HZ3 LYS 9 -9.088 -1.845 6.189 355 H VAL 10 HN VAL 10 -12.212 2.648 1.138 356 HA VAL 10 HA VAL 10 -9.910 1.311 0.229 357 HB VAL 10 HB VAL 10 -11.451 3.287 -1.442 358 HG11 VAL 10 HG11 VAL 10 -10.932 1.742 -3.256 359 HG12 VAL 10 HG12 VAL 10 -10.082 0.696 -2.115 360 HG13 VAL 10 HG13 VAL 10 -9.469 2.319 -2.453 361 HG21 VAL 10 HG21 VAL 10 -12.262 0.422 -1.119 362 HG22 VAL 10 HG22 VAL 10 -13.133 1.723 -1.928 363 HG23 VAL 10 HG23 VAL 10 -12.982 1.720 -0.171 364 H GLU 11 HN GLU 11 -10.743 4.760 0.252 365 HA GLU 11 HA GLU 11 -8.384 5.684 -0.995 366 HB2 GLU 11 HB2 GLU 11 -10.413 7.017 -0.927 367 HB3 GLU 11 HB1 GLU 11 -10.369 7.074 0.826 368 HG2 GLU 11 HG2 GLU 11 -9.662 9.181 -0.057 369 HG3 GLU 11 HG1 GLU 11 -8.288 8.384 0.704 370 H GLU 12 HN GLU 12 -9.125 4.945 2.352 371 HA GLU 12 HA GLU 12 -6.892 6.288 3.481 372 HB2 GLU 12 HB2 GLU 12 -8.916 5.584 4.772 373 HB3 GLU 12 HB1 GLU 12 -8.388 3.915 4.613 374 HG2 GLU 12 HG2 GLU 12 -6.384 4.387 5.866 375 HG3 GLU 12 HG1 GLU 12 -6.801 6.095 5.944 376 H LEU 13 HN LEU 13 -7.489 2.986 2.348 377 HA LEU 13 HA LEU 13 -4.871 2.040 2.909 378 HB2 LEU 13 HB2 LEU 13 -6.937 1.110 0.924 379 HB3 LEU 13 HB1 LEU 13 -5.402 0.300 1.165 380 HG LEU 13 HG LEU 13 -7.653 0.569 3.153 381 HD11 LEU 13 HD11 LEU 13 -7.914 -1.147 1.435 382 HD12 LEU 13 HD12 LEU 13 -7.669 -1.857 3.030 383 HD13 LEU 13 HD13 LEU 13 -6.343 -1.820 1.868 384 HD21 LEU 13 HD21 LEU 13 -4.889 -0.576 3.548 385 HD22 LEU 13 HD22 LEU 13 -6.232 -0.742 4.677 386 HD23 LEU 13 HD23 LEU 13 -5.555 0.850 4.343 387 H LEU 14 HN LEU 14 -6.337 3.779 0.279 388 HA LEU 14 HA LEU 14 -4.236 3.625 -1.593 389 HB2 LEU 14 HB2 LEU 14 -6.686 4.600 -1.733 390 HB3 LEU 14 HB1 LEU 14 -5.893 6.092 -1.279 391 HG LEU 14 HG LEU 14 -4.350 5.729 -3.273 392 HD11 LEU 14 HD11 LEU 14 -5.191 4.327 -5.061 393 HD12 LEU 14 HD12 LEU 14 -6.533 3.802 -4.042 394 HD13 LEU 14 HD13 LEU 14 -4.876 3.361 -3.620 395 HD21 LEU 14 HD21 LEU 14 -7.284 6.181 -3.791 396 HD22 LEU 14 HD22 LEU 14 -5.951 6.688 -4.827 397 HD23 LEU 14 HD23 LEU 14 -6.137 7.394 -3.224 398 H SER 15 HN SER 15 -4.697 5.429 1.306 399 HA SER 15 HA SER 15 -2.764 7.470 0.762 400 HB2 SER 15 HB2 SER 15 -4.002 6.641 3.398 401 HB3 SER 15 HB1 SER 15 -3.142 8.147 3.077 402 HG SER 15 HG SER 15 -5.499 7.335 1.705 403 H LYS 16 HN LYS 16 -2.815 4.522 2.778 404 HA LYS 16 HA LYS 16 -0.054 4.801 3.447 405 HB2 LYS 16 HB2 LYS 16 -0.166 2.515 4.308 406 HB3 LYS 16 HB1 LYS 16 -1.457 3.521 4.945 407 HG2 LYS 16 HG2 LYS 16 -3.024 2.492 3.381 408 HG3 LYS 16 HG1 LYS 16 -1.726 1.494 2.734 409 HD2 LYS 16 HD2 LYS 16 -2.623 1.458 5.613 410 HD3 LYS 16 HD1 LYS 16 -3.208 0.342 4.384 411 HE2 LYS 16 HE2 LYS 16 -1.529 -0.888 5.370 412 HE3 LYS 16 HE1 LYS 16 -0.679 -0.154 4.014 413 HZ1 LYS 16 HZ1 LYS 16 -0.656 0.880 6.800 414 HZ2 LYS 16 HZ2 LYS 16 0.224 1.501 5.501 415 HZ3 LYS 16 HZ3 LYS 16 0.577 -0.037 6.097 416 H ASN 17 HN ASN 17 -1.838 3.121 0.917 417 HA ASN 17 HA ASN 17 0.261 1.779 -0.341 418 HB2 ASN 17 HB2 ASN 17 -2.329 2.929 -1.192 419 HB3 ASN 17 HB1 ASN 17 -1.140 2.738 -2.475 420 HD21 ASN 17 HD21 ASN 17 -3.712 1.341 -1.786 421 HD22 ASN 17 HD22 ASN 17 -3.299 -0.337 -1.791 422 H TYR 18 HN TYR 18 -0.718 5.177 -0.463 423 HA TYR 18 HA TYR 18 1.245 6.034 -2.294 424 HB2 TYR 18 HB2 TYR 18 -0.635 7.461 -1.686 425 HB3 TYR 18 HB1 TYR 18 -0.071 7.539 -0.020 426 HD1 TYR 18 HD1 TYR 18 0.974 8.384 -3.497 427 HD2 TYR 18 HD2 TYR 18 1.316 9.286 0.646 428 HE1 TYR 18 HE1 TYR 18 2.303 10.379 -4.046 429 HE2 TYR 18 HE2 TYR 18 2.646 11.282 0.108 430 HH TYR 18 HH TYR 18 2.897 12.534 -3.043 431 H HIS 19 HN HIS 19 1.280 5.801 1.244 432 HA HIS 19 HA HIS 19 3.858 6.903 1.599 433 HB2 HIS 19 HB2 HIS 19 2.031 5.288 3.324 434 HB3 HIS 19 HB1 HIS 19 3.698 5.535 3.832 435 HD1 HIS 19 HD1 HIS 19 4.296 7.783 4.816 436 HD2 HIS 19 HD2 HIS 19 0.481 7.697 3.164 437 HE1 HIS 19 HE1 HIS 19 3.210 9.935 5.516 438 HE2 HIS 19 HE2 HIS 19 0.959 9.925 4.386 439 H LEU 20 HN LEU 20 2.784 3.499 1.544 440 HA LEU 20 HA LEU 20 5.270 2.300 1.963 441 HB2 LEU 20 HB2 LEU 20 3.117 1.257 0.133 442 HB3 LEU 20 HB1 LEU 20 4.351 0.305 0.922 443 HG LEU 20 HG LEU 20 1.958 1.611 2.100 444 HD11 LEU 20 HD11 LEU 20 2.947 -1.217 2.091 445 HD12 LEU 20 HD12 LEU 20 1.587 -0.566 1.176 446 HD13 LEU 20 HD13 LEU 20 1.506 -0.650 2.935 447 HD21 LEU 20 HD21 LEU 20 2.750 0.898 4.321 448 HD22 LEU 20 HD22 LEU 20 3.794 2.124 3.604 449 HD23 LEU 20 HD23 LEU 20 4.290 0.431 3.599 450 H GLU 21 HN GLU 21 3.616 2.980 -1.082 451 HA GLU 21 HA GLU 21 5.646 2.072 -2.780 452 HB2 GLU 21 HB2 GLU 21 3.133 3.046 -3.149 453 HB3 GLU 21 HB1 GLU 21 4.100 4.376 -3.765 454 HG2 GLU 21 HG2 GLU 21 4.262 1.514 -4.682 455 HG3 GLU 21 HG1 GLU 21 3.452 2.830 -5.531 456 H ASN 22 HN ASN 22 5.084 5.318 -1.443 457 HA ASN 22 HA ASN 22 7.273 6.564 -2.724 458 HB2 ASN 22 HB2 ASN 22 5.628 7.205 -0.306 459 HB3 ASN 22 HB1 ASN 22 7.113 8.104 -0.592 460 HD21 ASN 22 HD21 ASN 22 5.972 10.012 -0.898 461 HD22 ASN 22 HD22 ASN 22 5.071 10.317 -2.344 462 H GLU 23 HN GLU 23 6.960 4.822 0.329 463 HA GLU 23 HA GLU 23 9.573 5.365 1.278 464 HB2 GLU 23 HB2 GLU 23 7.630 4.449 2.619 465 HB3 GLU 23 HB1 GLU 23 7.934 2.894 1.859 466 HG2 GLU 23 HG2 GLU 23 8.949 2.901 4.016 467 HG3 GLU 23 HG1 GLU 23 10.223 2.936 2.799 468 H VAL 24 HN VAL 24 8.205 2.747 -0.670 469 HA VAL 24 HA VAL 24 10.494 1.164 -0.935 470 HB VAL 24 HB VAL 24 8.341 1.610 -3.030 471 HG11 VAL 24 HG11 VAL 24 10.266 -0.684 -2.671 472 HG12 VAL 24 HG12 VAL 24 10.372 0.560 -3.918 473 HG13 VAL 24 HG13 VAL 24 9.009 -0.559 -3.905 474 HG21 VAL 24 HG21 VAL 24 7.401 0.861 -0.904 475 HG22 VAL 24 HG22 VAL 24 8.531 -0.493 -0.879 476 HG23 VAL 24 HG23 VAL 24 7.295 -0.398 -2.133 477 H ALA 25 HN ALA 25 9.339 3.893 -2.886 478 HA ALA 25 HA ALA 25 11.293 3.829 -4.882 479 HB1 ALA 25 HB1 ALA 25 9.821 6.229 -3.785 480 HB2 ALA 25 HB2 ALA 25 9.240 5.154 -5.057 481 HB3 ALA 25 HB3 ALA 25 10.666 6.156 -5.331 482 H ARG 26 HN ARG 26 11.246 5.529 -1.776 483 HA ARG 26 HA ARG 26 13.709 6.875 -2.099 484 HB2 ARG 26 HB2 ARG 26 12.295 6.015 0.431 485 HB3 ARG 26 HB1 ARG 26 13.637 7.148 0.360 486 HG2 ARG 26 HG2 ARG 26 12.287 8.685 -0.958 487 HG3 ARG 26 HG1 ARG 26 10.943 7.541 -0.926 488 HD2 ARG 26 HD2 ARG 26 10.882 7.710 1.523 489 HD3 ARG 26 HD1 ARG 26 12.199 8.880 1.466 490 HE ARG 26 HE ARG 26 9.976 9.674 -0.144 491 HH11 ARG 26 HH11 ARG 26 11.211 9.600 3.129 492 HH12 ARG 26 HH12 ARG 26 10.249 10.942 3.656 493 HH21 ARG 26 HH21 ARG 26 8.713 11.448 0.544 494 HH22 ARG 26 HH22 ARG 26 8.828 11.994 2.187 495 H LEU 27 HN LEU 27 12.877 3.843 -0.449 496 HA LEU 27 HA LEU 27 15.477 3.190 0.393 497 HB2 LEU 27 HB2 LEU 27 12.956 1.670 -0.036 498 HB3 LEU 27 HB1 LEU 27 14.439 0.773 0.127 499 HG LEU 27 HG LEU 27 14.762 1.448 2.359 500 HD11 LEU 27 HD11 LEU 27 12.560 3.472 1.989 501 HD12 LEU 27 HD12 LEU 27 14.283 3.830 2.094 502 HD13 LEU 27 HD13 LEU 27 13.439 3.146 3.482 503 HD21 LEU 27 HD21 LEU 27 12.628 0.865 3.445 504 HD22 LEU 27 HD22 LEU 27 13.057 -0.229 2.131 505 HD23 LEU 27 HD23 LEU 27 11.825 1.007 1.881 506 H LYS 28 HN LYS 28 13.715 2.420 -2.586 507 HA LYS 28 HA LYS 28 15.736 0.661 -3.552 508 HB2 LYS 28 HB2 LYS 28 13.223 0.779 -4.205 509 HB3 LYS 28 HB1 LYS 28 13.746 2.008 -5.350 510 HG2 LYS 28 HG2 LYS 28 13.625 -0.185 -6.403 511 HG3 LYS 28 HG1 LYS 28 15.286 0.416 -6.374 512 HD2 LYS 28 HD2 LYS 28 15.735 -0.958 -4.388 513 HD3 LYS 28 HD1 LYS 28 14.083 -1.565 -4.439 514 HE2 LYS 28 HE2 LYS 28 15.610 -3.168 -5.391 515 HE3 LYS 28 HE1 LYS 28 14.525 -2.547 -6.633 516 HZ1 LYS 28 HZ1 LYS 28 16.838 -2.709 -7.386 517 HZ2 LYS 28 HZ2 LYS 28 17.312 -1.608 -6.193 518 HZ3 LYS 28 HZ3 LYS 28 16.272 -1.116 -7.434 519 H LYS 29 HN LYS 29 15.535 4.023 -3.381 520 HA LYS 29 HA LYS 29 17.256 4.601 -5.605 521 HB2 LYS 29 HB2 LYS 29 15.800 6.335 -4.716 522 HB3 LYS 29 HB1 LYS 29 16.549 6.196 -3.132 523 HG2 LYS 29 HG2 LYS 29 18.631 7.068 -3.999 524 HG3 LYS 29 HG1 LYS 29 17.957 7.113 -5.633 525 HD2 LYS 29 HD2 LYS 29 16.332 8.765 -4.969 526 HD3 LYS 29 HD1 LYS 29 16.851 8.647 -3.282 527 HE2 LYS 29 HE2 LYS 29 18.600 9.560 -5.563 528 HE3 LYS 29 HE1 LYS 29 17.744 10.638 -4.462 529 HZ1 LYS 29 HZ1 LYS 29 18.995 9.659 -2.625 530 HZ2 LYS 29 HZ2 LYS 29 20.021 10.358 -3.769 531 HZ3 LYS 29 HZ3 LYS 29 19.845 8.678 -3.709 532 H LEU 30 HN LEU 30 17.606 3.976 -2.173 533 HA LEU 30 HA LEU 30 20.471 4.260 -2.191 534 HB2 LEU 30 HB2 LEU 30 18.495 3.264 -0.157 535 HB3 LEU 30 HB1 LEU 30 20.219 3.079 0.093 536 HG LEU 30 HG LEU 30 20.445 5.570 -0.117 537 HD11 LEU 30 HD11 LEU 30 18.444 6.936 0.177 538 HD12 LEU 30 HD12 LEU 30 17.437 5.496 0.032 539 HD13 LEU 30 HD13 LEU 30 18.400 6.040 -1.341 540 HD21 LEU 30 HD21 LEU 30 19.592 6.031 2.129 541 HD22 LEU 30 HD22 LEU 30 20.422 4.477 2.048 542 HD23 LEU 30 HD23 LEU 30 18.660 4.535 2.077 543 H VAL 31 HN VAL 31 18.146 1.635 -2.393 544 HA VAL 31 HA VAL 31 20.277 -0.313 -2.836 545 HB VAL 31 HB VAL 31 17.298 -0.791 -3.087 546 HG11 VAL 31 HG11 VAL 31 19.587 -2.683 -2.553 547 HG12 VAL 31 HG12 VAL 31 18.720 -2.513 -4.079 548 HG13 VAL 31 HG13 VAL 31 17.882 -3.124 -2.652 549 HG21 VAL 31 HG21 VAL 31 19.025 -1.089 -0.635 550 HG22 VAL 31 HG22 VAL 31 17.357 -1.642 -0.788 551 HG23 VAL 31 HG23 VAL 31 17.726 0.081 -0.867 552 H GLY 32 HN GLY 32 20.001 1.947 -4.535 553 HA2 GLY 32 HA2 GLY 32 19.488 0.610 -7.104 554 HA3 GLY 32 HA1 GLY 32 18.825 2.208 -6.781 555 H GLU 33 HN GLU 33 20.723 3.643 -5.705 556 HA GLU 33 HA GLU 33 22.891 3.577 -7.686 557 HB2 GLU 33 HB2 GLU 33 21.926 5.852 -5.938 558 HB3 GLU 33 HB1 GLU 33 23.213 5.955 -7.131 559 HG2 GLU 33 HG2 GLU 33 21.615 5.448 -8.904 560 HG3 GLU 33 HG1 GLU 33 20.324 5.339 -7.710 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 -22.869 -3.101 -7.887 2 H2 GLY 1 HT2 GLY 1 -24.042 -1.899 -7.699 3 H3 GLY 1 HT3 GLY 1 -24.513 -3.510 -7.883 4 HA2 GLY 1 HA1 GLY 1 -24.719 -2.839 -5.581 5 HA3 GLY 1 HA2 GLY 1 -23.500 -4.090 -5.776 6 H SER 2 HN SER 2 -23.358 -2.652 -3.531 7 HA SER 2 HA SER 2 -21.274 -0.642 -4.028 8 HB2 SER 2 HB2 SER 2 -21.832 0.051 -1.628 9 HB3 SER 2 HB1 SER 2 -23.069 0.370 -2.845 10 HG SER 2 HG SER 2 -24.345 -0.793 -1.656 11 H MET 3 HN MET 3 -22.176 -2.942 -1.486 12 HA MET 3 HA MET 3 -19.845 -2.935 -0.064 13 HB2 MET 3 HB2 MET 3 -21.699 -5.283 -0.478 14 HB3 MET 3 HB1 MET 3 -20.521 -5.136 0.817 15 HG2 MET 3 HG2 MET 3 -22.875 -3.317 0.374 16 HG3 MET 3 HG1 MET 3 -22.784 -4.612 1.563 17 HE1 MET 3 HE1 MET 3 -20.059 -3.301 4.031 18 HE2 MET 3 HE2 MET 3 -19.767 -4.330 2.629 19 HE3 MET 3 HE3 MET 3 -21.184 -4.603 3.644 20 H LYS 4 HN LYS 4 -20.658 -5.397 -2.532 21 HA LYS 4 HA LYS 4 -18.198 -6.764 -2.164 22 HB2 LYS 4 HB2 LYS 4 -20.265 -6.951 -4.346 23 HB3 LYS 4 HB1 LYS 4 -18.868 -8.009 -4.221 24 HG2 LYS 4 HG2 LYS 4 -19.648 -8.817 -2.065 25 HG3 LYS 4 HG1 LYS 4 -21.031 -7.724 -2.147 26 HD2 LYS 4 HD2 LYS 4 -21.620 -10.023 -2.792 27 HD3 LYS 4 HD1 LYS 4 -21.863 -8.878 -4.111 28 HE2 LYS 4 HE2 LYS 4 -19.758 -9.565 -5.118 29 HE3 LYS 4 HE1 LYS 4 -19.456 -10.665 -3.775 30 HZ1 LYS 4 HZ1 LYS 4 -21.412 -11.920 -4.409 31 HZ2 LYS 4 HZ2 LYS 4 -20.331 -11.823 -5.704 32 HZ3 LYS 4 HZ3 LYS 4 -21.717 -10.858 -5.688 33 H GLN 5 HN GLN 5 -18.942 -4.000 -3.980 34 HA GLN 5 HA GLN 5 -16.862 -4.517 -5.965 35 HB2 GLN 5 HB2 GLN 5 -18.888 -2.276 -5.793 36 HB3 GLN 5 HB1 GLN 5 -17.709 -2.477 -7.082 37 HG2 GLN 5 HG2 GLN 5 -18.748 -4.631 -7.658 38 HG3 GLN 5 HG1 GLN 5 -19.960 -4.355 -6.408 39 HE21 GLN 5 HE21 GLN 5 -18.666 -1.805 -8.413 40 HE22 GLN 5 HE22 GLN 5 -20.110 -1.518 -9.315 41 H LEU 6 HN LEU 6 -17.886 -2.195 -3.537 42 HA LEU 6 HA LEU 6 -15.550 -0.595 -3.649 43 HB2 LEU 6 HB2 LEU 6 -17.797 -0.935 -1.707 44 HB3 LEU 6 HB1 LEU 6 -16.366 -0.066 -1.214 45 HG LEU 6 HG LEU 6 -18.291 1.347 -2.008 46 HD11 LEU 6 HD11 LEU 6 -15.977 2.162 -1.854 47 HD12 LEU 6 HD12 LEU 6 -16.879 2.922 -3.165 48 HD13 LEU 6 HD13 LEU 6 -15.704 1.659 -3.523 49 HD21 LEU 6 HD21 LEU 6 -19.004 -0.019 -3.891 50 HD22 LEU 6 HD22 LEU 6 -17.464 0.268 -4.701 51 HD23 LEU 6 HD23 LEU 6 -18.578 1.606 -4.423 52 H GLU 7 HN GLU 7 -16.607 -3.255 -1.537 53 HA GLU 7 HA GLU 7 -14.262 -3.365 0.012 54 HB2 GLU 7 HB2 GLU 7 -16.373 -4.515 0.614 55 HB3 GLU 7 HB1 GLU 7 -16.105 -5.654 -0.698 56 HG2 GLU 7 HG2 GLU 7 -14.082 -6.450 0.376 57 HG3 GLU 7 HG1 GLU 7 -14.288 -5.271 1.671 58 H ASP 8 HN ASP 8 -15.091 -4.806 -3.133 59 HA ASP 8 HA ASP 8 -12.755 -6.399 -3.332 60 HB2 ASP 8 HB2 ASP 8 -14.781 -5.418 -5.224 61 HB3 ASP 8 HB1 ASP 8 -13.196 -5.718 -5.932 62 H LYS 9 HN LYS 9 -13.310 -2.990 -3.898 63 HA LYS 9 HA LYS 9 -10.769 -2.486 -5.098 64 HB2 LYS 9 HB2 LYS 9 -12.640 -0.591 -3.664 65 HB3 LYS 9 HB1 LYS 9 -11.255 -0.109 -4.628 66 HG2 LYS 9 HG2 LYS 9 -12.296 -1.017 -6.622 67 HG3 LYS 9 HG1 LYS 9 -13.668 -1.580 -5.666 68 HD2 LYS 9 HD2 LYS 9 -14.165 0.746 -5.049 69 HD3 LYS 9 HD1 LYS 9 -12.813 1.288 -6.046 70 HE2 LYS 9 HE2 LYS 9 -13.895 0.302 -8.017 71 HE3 LYS 9 HE1 LYS 9 -15.253 -0.196 -7.010 72 HZ1 LYS 9 HZ1 LYS 9 -15.610 2.171 -6.484 73 HZ2 LYS 9 HZ2 LYS 9 -15.805 1.825 -8.124 74 HZ3 LYS 9 HZ3 LYS 9 -14.395 2.583 -7.584 75 H VAL 10 HN VAL 10 -12.069 -2.182 -1.818 76 HA VAL 10 HA VAL 10 -9.864 -1.077 -0.533 77 HB VAL 10 HB VAL 10 -11.523 -3.232 0.757 78 HG11 VAL 10 HG11 VAL 10 -11.198 -1.875 2.767 79 HG12 VAL 10 HG12 VAL 10 -10.261 -0.716 1.820 80 HG13 VAL 10 HG13 VAL 10 -9.663 -2.363 2.048 81 HG21 VAL 10 HG21 VAL 10 -12.351 -0.351 0.597 82 HG22 VAL 10 HG22 VAL 10 -13.246 -1.694 1.305 83 HG23 VAL 10 HG23 VAL 10 -13.010 -1.613 -0.441 84 H GLU 11 HN GLU 11 -10.701 -4.512 -0.906 85 HA GLU 11 HA GLU 11 -8.345 -5.450 0.380 86 HB2 GLU 11 HB2 GLU 11 -10.256 -6.899 -1.469 87 HB3 GLU 11 HB1 GLU 11 -9.051 -7.667 -0.443 88 HG2 GLU 11 HG2 GLU 11 -11.375 -6.017 0.529 89 HG3 GLU 11 HG1 GLU 11 -11.305 -7.777 0.508 90 H GLU 12 HN GLU 12 -9.053 -4.532 -2.901 91 HA GLU 12 HA GLU 12 -6.881 -5.924 -4.115 92 HB2 GLU 12 HB2 GLU 12 -8.832 -5.087 -5.407 93 HB3 GLU 12 HB1 GLU 12 -8.311 -3.439 -5.085 94 HG2 GLU 12 HG2 GLU 12 -6.238 -3.850 -6.303 95 HG3 GLU 12 HG1 GLU 12 -6.748 -5.505 -6.620 96 H LEU 13 HN LEU 13 -7.370 -2.619 -2.930 97 HA LEU 13 HA LEU 13 -4.707 -1.761 -3.376 98 HB2 LEU 13 HB2 LEU 13 -6.747 -0.836 -1.353 99 HB3 LEU 13 HB1 LEU 13 -5.222 -0.029 -1.659 100 HG LEU 13 HG LEU 13 -7.545 -0.304 -3.561 101 HD11 LEU 13 HD11 LEU 13 -7.781 1.406 -1.841 102 HD12 LEU 13 HD12 LEU 13 -7.578 2.123 -3.438 103 HD13 LEU 13 HD13 LEU 13 -6.227 2.095 -2.306 104 HD21 LEU 13 HD21 LEU 13 -5.502 -0.559 -4.829 105 HD22 LEU 13 HD22 LEU 13 -4.802 0.853 -4.036 106 HD23 LEU 13 HD23 LEU 13 -6.183 1.042 -5.117 107 H LEU 14 HN LEU 14 -6.333 -3.451 -0.804 108 HA LEU 14 HA LEU 14 -4.328 -3.497 1.148 109 HB2 LEU 14 HB2 LEU 14 -6.744 -4.315 1.274 110 HB3 LEU 14 HB1 LEU 14 -6.182 -5.774 0.490 111 HG LEU 14 HG LEU 14 -4.518 -5.980 2.433 112 HD11 LEU 14 HD11 LEU 14 -4.838 -3.696 3.290 113 HD12 LEU 14 HD12 LEU 14 -5.169 -4.928 4.506 114 HD13 LEU 14 HD13 LEU 14 -6.506 -4.106 3.702 115 HD21 LEU 14 HD21 LEU 14 -6.414 -7.465 2.113 116 HD22 LEU 14 HD22 LEU 14 -7.475 -6.305 2.914 117 HD23 LEU 14 HD23 LEU 14 -6.189 -7.100 3.823 118 H SER 15 HN SER 15 -4.697 -5.215 -1.826 119 HA SER 15 HA SER 15 -3.011 -7.413 -1.243 120 HB2 SER 15 HB2 SER 15 -3.867 -6.308 -3.927 121 HB3 SER 15 HB1 SER 15 -3.157 -7.896 -3.643 122 HG SER 15 HG SER 15 -5.495 -7.121 -2.267 123 H LYS 16 HN LYS 16 -2.497 -4.405 -3.144 124 HA LYS 16 HA LYS 16 0.293 -5.056 -3.337 125 HB2 LYS 16 HB2 LYS 16 0.673 -2.941 -4.400 126 HB3 LYS 16 HB1 LYS 16 -0.718 -3.726 -5.125 127 HG2 LYS 16 HG2 LYS 16 -2.210 -2.182 -4.189 128 HG3 LYS 16 HG1 LYS 16 -1.015 -1.612 -3.019 129 HD2 LYS 16 HD2 LYS 16 0.278 -0.565 -4.733 130 HD3 LYS 16 HD1 LYS 16 -0.692 -1.310 -6.001 131 HE2 LYS 16 HE2 LYS 16 -1.927 0.527 -3.984 132 HE3 LYS 16 HE1 LYS 16 -1.102 1.164 -5.407 133 HZ1 LYS 16 HZ1 LYS 16 -3.370 -0.757 -5.465 134 HZ2 LYS 16 HZ2 LYS 16 -2.609 -0.075 -6.809 135 HZ3 LYS 16 HZ3 LYS 16 -3.491 0.905 -5.755 136 H ASN 17 HN ASN 17 -1.678 -3.019 -1.231 137 HA ASN 17 HA ASN 17 0.259 -1.767 0.303 138 HB2 ASN 17 HB2 ASN 17 -2.457 -2.774 0.771 139 HB3 ASN 17 HB1 ASN 17 -1.463 -2.781 2.223 140 HD21 ASN 17 HD21 ASN 17 -3.787 -1.163 1.425 141 HD22 ASN 17 HD22 ASN 17 -3.275 0.481 1.572 142 H TYR 18 HN TYR 18 -0.951 -5.094 0.541 143 HA TYR 18 HA TYR 18 0.692 -5.977 2.634 144 HB2 TYR 18 HB2 TYR 18 -1.205 -7.269 1.835 145 HB3 TYR 18 HB1 TYR 18 -0.439 -7.486 0.268 146 HD1 TYR 18 HD1 TYR 18 0.733 -9.433 -0.144 147 HD2 TYR 18 HD2 TYR 18 0.138 -8.209 3.885 148 HE1 TYR 18 HE1 TYR 18 1.733 -11.539 0.635 149 HE2 TYR 18 HE2 TYR 18 1.141 -10.310 4.676 150 HH TYR 18 HH TYR 18 1.472 -12.621 3.824 151 H HIS 19 HN HIS 19 1.279 -5.825 -0.839 152 HA HIS 19 HA HIS 19 3.774 -7.220 -0.680 153 HB2 HIS 19 HB2 HIS 19 2.311 -5.801 -2.877 154 HB3 HIS 19 HB1 HIS 19 3.981 -6.309 -3.104 155 HD1 HIS 19 HD1 HIS 19 0.503 -7.660 -2.737 156 HD2 HIS 19 HD2 HIS 19 4.373 -9.069 -3.332 157 HE1 HIS 19 HE1 HIS 19 0.255 -10.082 -3.362 158 HE2 HIS 19 HE2 HIS 19 2.614 -10.949 -3.567 159 H LEU 20 HN LEU 20 2.840 -3.808 -0.987 160 HA LEU 20 HA LEU 20 5.448 -2.763 -1.243 161 HB2 LEU 20 HB2 LEU 20 3.210 -1.392 0.227 162 HB3 LEU 20 HB1 LEU 20 4.535 -0.636 -0.623 163 HG LEU 20 HG LEU 20 2.098 -1.937 -1.724 164 HD11 LEU 20 HD11 LEU 20 1.871 0.182 -2.927 165 HD12 LEU 20 HD12 LEU 20 3.311 0.775 -2.099 166 HD13 LEU 20 HD13 LEU 20 1.862 0.374 -1.175 167 HD21 LEU 20 HD21 LEU 20 3.947 -2.820 -3.036 168 HD22 LEU 20 HD22 LEU 20 4.571 -1.186 -3.276 169 HD23 LEU 20 HD23 LEU 20 3.025 -1.654 -3.986 170 H GLU 21 HN GLU 21 3.388 -3.331 1.569 171 HA GLU 21 HA GLU 21 5.053 -2.482 3.607 172 HB2 GLU 21 HB2 GLU 21 2.967 -4.596 3.413 173 HB3 GLU 21 HB1 GLU 21 3.988 -4.579 4.843 174 HG2 GLU 21 HG2 GLU 21 2.337 -2.266 3.858 175 HG3 GLU 21 HG1 GLU 21 1.891 -3.362 5.163 176 H ASN 22 HN ASN 22 5.030 -5.667 2.047 177 HA ASN 22 HA ASN 22 7.209 -6.671 3.587 178 HB2 ASN 22 HB2 ASN 22 6.011 -7.618 0.980 179 HB3 ASN 22 HB1 ASN 22 7.255 -8.492 1.867 180 HD21 ASN 22 HD21 ASN 22 6.139 -7.782 4.470 181 HD22 ASN 22 HD22 ASN 22 4.725 -8.759 4.663 182 H GLU 23 HN GLU 23 6.900 -5.062 0.485 183 HA GLU 23 HA GLU 23 9.527 -5.524 -0.433 184 HB2 GLU 23 HB2 GLU 23 7.540 -4.725 -1.787 185 HB3 GLU 23 HB1 GLU 23 7.807 -3.133 -1.091 186 HG2 GLU 23 HG2 GLU 23 8.798 -3.232 -3.269 187 HG3 GLU 23 HG1 GLU 23 10.070 -3.119 -2.053 188 H VAL 24 HN VAL 24 8.080 -2.760 1.284 189 HA VAL 24 HA VAL 24 10.383 -1.171 1.436 190 HB VAL 24 HB VAL 24 8.145 -1.338 3.477 191 HG11 VAL 24 HG11 VAL 24 8.820 0.921 4.108 192 HG12 VAL 24 HG12 VAL 24 10.139 0.859 2.937 193 HG13 VAL 24 HG13 VAL 24 10.146 -0.220 4.334 194 HG21 VAL 24 HG21 VAL 24 7.300 -0.827 1.242 195 HG22 VAL 24 HG22 VAL 24 8.458 0.496 1.104 196 HG23 VAL 24 HG23 VAL 24 7.173 0.571 2.308 197 H ALA 25 HN ALA 25 9.095 -3.604 3.666 198 HA ALA 25 HA ALA 25 10.921 -3.250 5.748 199 HB1 ALA 25 HB1 ALA 25 9.479 -5.778 4.945 200 HB2 ALA 25 HB2 ALA 25 8.831 -4.506 5.982 201 HB3 ALA 25 HB3 ALA 25 10.215 -5.462 6.516 202 H ARG 26 HN ARG 26 11.099 -5.298 2.870 203 HA ARG 26 HA ARG 26 13.501 -6.614 3.640 204 HB2 ARG 26 HB2 ARG 26 11.829 -7.399 1.891 205 HB3 ARG 26 HB1 ARG 26 12.538 -6.207 0.809 206 HG2 ARG 26 HG2 ARG 26 14.656 -7.303 0.874 207 HG3 ARG 26 HG1 ARG 26 14.111 -8.389 2.152 208 HD2 ARG 26 HD2 ARG 26 14.033 -9.637 0.150 209 HD3 ARG 26 HD1 ARG 26 12.367 -9.222 0.538 210 HE ARG 26 HE ARG 26 13.807 -7.504 -1.338 211 HH11 ARG 26 HH11 ARG 26 11.367 -9.948 -0.776 212 HH12 ARG 26 HH12 ARG 26 10.672 -9.801 -2.354 213 HH21 ARG 26 HH21 ARG 26 12.906 -7.322 -3.430 214 HH22 ARG 26 HH22 ARG 26 11.548 -8.309 -3.870 215 H LEU 27 HN LEU 27 12.816 -3.886 1.481 216 HA LEU 27 HA LEU 27 15.463 -3.320 0.745 217 HB2 LEU 27 HB2 LEU 27 12.915 -1.788 0.796 218 HB3 LEU 27 HB1 LEU 27 14.400 -0.894 0.619 219 HG LEU 27 HG LEU 27 14.894 -1.869 -1.465 220 HD11 LEU 27 HD11 LEU 27 12.664 -3.841 -0.969 221 HD12 LEU 27 HD12 LEU 27 14.390 -4.198 -0.929 222 HD13 LEU 27 HD13 LEU 27 13.626 -3.714 -2.443 223 HD21 LEU 27 HD21 LEU 27 13.186 -0.189 -1.619 224 HD22 LEU 27 HD22 LEU 27 11.931 -1.380 -1.277 225 HD23 LEU 27 HD23 LEU 27 12.843 -1.469 -2.783 226 H LYS 28 HN LYS 28 13.537 -2.309 3.496 227 HA LYS 28 HA LYS 28 15.116 -0.275 4.529 228 HB2 LYS 28 HB2 LYS 28 12.805 -1.295 5.266 229 HB3 LYS 28 HB1 LYS 28 13.798 -2.255 6.350 230 HG2 LYS 28 HG2 LYS 28 13.072 -0.406 7.599 231 HG3 LYS 28 HG1 LYS 28 14.758 -0.076 7.193 232 HD2 LYS 28 HD2 LYS 28 12.873 0.918 5.201 233 HD3 LYS 28 HD1 LYS 28 12.642 1.634 6.794 234 HE2 LYS 28 HE2 LYS 28 15.278 1.511 5.338 235 HE3 LYS 28 HE1 LYS 28 14.198 2.903 5.329 236 HZ1 LYS 28 HZ1 LYS 28 15.895 3.210 6.967 237 HZ2 LYS 28 HZ2 LYS 28 15.544 1.723 7.703 238 HZ3 LYS 28 HZ3 LYS 28 14.418 2.990 7.759 239 H LYS 29 HN LYS 29 15.307 -3.773 5.056 240 HA LYS 29 HA LYS 29 17.558 -3.545 6.844 241 HB2 LYS 29 HB2 LYS 29 16.414 -6.013 5.525 242 HB3 LYS 29 HB1 LYS 29 17.510 -5.977 6.899 243 HG2 LYS 29 HG2 LYS 29 14.701 -4.889 6.876 244 HG3 LYS 29 HG1 LYS 29 15.199 -6.439 7.559 245 HD2 LYS 29 HD2 LYS 29 16.220 -3.744 8.465 246 HD3 LYS 29 HD1 LYS 29 14.930 -4.657 9.260 247 HE2 LYS 29 HE2 LYS 29 16.524 -6.515 9.618 248 HE3 LYS 29 HE1 LYS 29 17.800 -5.524 8.913 249 HZ1 LYS 29 HZ1 LYS 29 17.402 -3.890 10.682 250 HZ2 LYS 29 HZ2 LYS 29 17.892 -5.386 11.290 251 HZ3 LYS 29 HZ3 LYS 29 16.268 -4.928 11.383 252 H LEU 30 HN LEU 30 17.096 -3.733 3.478 253 HA LEU 30 HA LEU 30 19.671 -4.884 2.882 254 HB2 LEU 30 HB2 LEU 30 17.530 -3.681 1.156 255 HB3 LEU 30 HB1 LEU 30 19.063 -4.243 0.516 256 HG LEU 30 HG LEU 30 17.199 -6.033 2.068 257 HD11 LEU 30 HD11 LEU 30 17.355 -5.534 -0.888 258 HD12 LEU 30 HD12 LEU 30 15.970 -5.279 0.174 259 HD13 LEU 30 HD13 LEU 30 16.541 -6.914 -0.154 260 HD21 LEU 30 HD21 LEU 30 19.419 -6.913 1.984 261 HD22 LEU 30 HD22 LEU 30 19.568 -6.527 0.271 262 HD23 LEU 30 HD23 LEU 30 18.459 -7.792 0.797 263 H VAL 31 HN VAL 31 18.209 -1.690 3.003 264 HA VAL 31 HA VAL 31 20.577 -0.299 2.194 265 HB VAL 31 HB VAL 31 18.284 0.677 3.927 266 HG11 VAL 31 HG11 VAL 31 20.403 2.228 2.442 267 HG12 VAL 31 HG12 VAL 31 20.256 2.071 4.193 268 HG13 VAL 31 HG13 VAL 31 19.017 2.928 3.277 269 HG21 VAL 31 HG21 VAL 31 17.432 1.716 1.878 270 HG22 VAL 31 HG22 VAL 31 17.504 -0.040 1.741 271 HG23 VAL 31 HG23 VAL 31 18.732 0.956 0.958 272 H GLY 32 HN GLY 32 19.320 -1.669 5.112 273 HA2 GLY 32 HA2 GLY 32 20.704 -2.525 6.808 274 HA3 GLY 32 HA1 GLY 32 21.959 -1.393 6.330 275 H GLU 33 HN GLU 33 18.629 -0.453 6.844 276 HA GLU 33 HA GLU 33 19.439 0.836 9.358 277 HB2 GLU 33 HB2 GLU 33 19.473 2.449 7.432 278 HB3 GLU 33 HB1 GLU 33 17.752 2.161 7.228 279 HG2 GLU 33 HG2 GLU 33 18.123 4.207 8.449 280 HG3 GLU 33 HG1 GLU 33 17.346 3.012 9.485 281 H1 GLY 1 HT1 GLY 1 -23.137 3.214 6.921 282 H2 GLY 1 HT2 GLY 1 -24.320 2.030 6.676 283 H3 GLY 1 HT3 GLY 1 -24.773 3.648 6.851 284 HA2 GLY 1 HA1 GLY 1 -24.886 2.981 4.537 285 HA3 GLY 1 HA2 GLY 1 -23.666 4.222 4.792 286 H SER 2 HN SER 2 -23.442 2.780 2.550 287 HA SER 2 HA SER 2 -21.397 0.750 3.135 288 HB2 SER 2 HB2 SER 2 -21.868 0.051 0.719 289 HB3 SER 2 HB1 SER 2 -23.155 -0.252 1.890 290 HG SER 2 HG SER 2 -24.357 0.891 0.613 291 H MET 3 HN MET 3 -22.183 3.054 0.555 292 HA MET 3 HA MET 3 -19.795 3.024 -0.776 293 HB2 MET 3 HB2 MET 3 -21.646 5.385 -0.439 294 HB3 MET 3 HB1 MET 3 -20.418 5.226 -1.687 295 HG2 MET 3 HG2 MET 3 -22.803 3.423 -1.334 296 HG3 MET 3 HG1 MET 3 -22.656 4.717 -2.520 297 HE1 MET 3 HE1 MET 3 -19.844 3.382 -4.876 298 HE2 MET 3 HE2 MET 3 -19.606 4.411 -3.464 299 HE3 MET 3 HE3 MET 3 -20.976 4.692 -4.538 300 H LYS 4 HN LYS 4 -20.688 5.493 1.655 301 HA LYS 4 HA LYS 4 -18.205 6.847 1.384 302 HB2 LYS 4 HB2 LYS 4 -20.361 7.052 3.478 303 HB3 LYS 4 HB1 LYS 4 -18.954 8.103 3.407 304 HG2 LYS 4 HG2 LYS 4 -19.644 8.910 1.221 305 HG3 LYS 4 HG1 LYS 4 -21.034 7.824 1.249 306 HD2 LYS 4 HD2 LYS 4 -21.641 10.128 1.866 307 HD3 LYS 4 HD1 LYS 4 -21.936 8.989 3.181 308 HE2 LYS 4 HE2 LYS 4 -19.875 9.674 4.267 309 HE3 LYS 4 HE1 LYS 4 -19.506 10.757 2.927 310 HZ1 LYS 4 HZ1 LYS 4 -21.465 12.047 3.471 311 HZ2 LYS 4 HZ2 LYS 4 -20.443 11.941 4.810 312 HZ3 LYS 4 HZ3 LYS 4 -21.842 10.999 4.741 313 H GLN 5 HN GLN 5 -19.045 4.088 3.167 314 HA GLN 5 HA GLN 5 -17.045 4.600 5.237 315 HB2 GLN 5 HB2 GLN 5 -19.080 2.373 4.993 316 HB3 GLN 5 HB1 GLN 5 -17.948 2.567 6.325 317 HG2 GLN 5 HG2 GLN 5 -18.988 4.733 6.857 318 HG3 GLN 5 HG1 GLN 5 -20.156 4.465 5.564 319 HE21 GLN 5 HE21 GLN 5 -18.956 1.919 7.631 320 HE22 GLN 5 HE22 GLN 5 -20.440 1.639 8.468 321 H LEU 6 HN LEU 6 -17.981 2.279 2.775 322 HA LEU 6 HA LEU 6 -15.665 0.664 2.985 323 HB2 LEU 6 HB2 LEU 6 -17.826 1.019 0.950 324 HB3 LEU 6 HB1 LEU 6 -16.383 0.137 0.519 325 HG LEU 6 HG LEU 6 -18.352 -1.261 1.235 326 HD11 LEU 6 HD11 LEU 6 -16.039 -2.093 1.178 327 HD12 LEU 6 HD12 LEU 6 -16.999 -2.845 2.451 328 HD13 LEU 6 HD13 LEU 6 -15.831 -1.591 2.857 329 HD21 LEU 6 HD21 LEU 6 -19.129 0.115 3.089 330 HD22 LEU 6 HD22 LEU 6 -17.625 -0.187 3.960 331 HD23 LEU 6 HD23 LEU 6 -18.739 -1.516 3.635 332 H GLU 7 HN GLU 7 -16.615 3.324 0.823 333 HA GLU 7 HA GLU 7 -14.208 3.421 -0.626 334 HB2 GLU 7 HB2 GLU 7 -16.285 4.585 -1.314 335 HB3 GLU 7 HB1 GLU 7 -16.064 5.721 0.009 336 HG2 GLU 7 HG2 GLU 7 -13.991 6.503 -0.981 337 HG3 GLU 7 HG1 GLU 7 -14.157 5.330 -2.285 338 H ASP 8 HN ASP 8 -15.156 4.878 2.475 339 HA ASP 8 HA ASP 8 -12.818 6.449 2.768 340 HB2 ASP 8 HB2 ASP 8 -14.929 5.491 4.577 341 HB3 ASP 8 HB1 ASP 8 -13.373 5.781 5.350 342 H LYS 9 HN LYS 9 -13.415 3.043 3.309 343 HA LYS 9 HA LYS 9 -10.928 2.527 4.624 344 HB2 LYS 9 HB2 LYS 9 -12.760 0.642 3.120 345 HB3 LYS 9 HB1 LYS 9 -11.416 0.150 4.139 346 HG2 LYS 9 HG2 LYS 9 -12.527 1.072 6.090 347 HG3 LYS 9 HG1 LYS 9 -13.856 1.642 5.078 348 HD2 LYS 9 HD2 LYS 9 -14.342 -0.681 4.438 349 HD3 LYS 9 HD1 LYS 9 -13.034 -1.232 5.488 350 HE2 LYS 9 HE2 LYS 9 -14.190 -0.243 7.415 351 HE3 LYS 9 HE1 LYS 9 -15.507 0.260 6.357 352 HZ1 LYS 9 HZ1 LYS 9 -15.850 -2.110 5.817 353 HZ2 LYS 9 HZ2 LYS 9 -16.105 -1.760 7.449 354 HZ3 LYS 9 HZ3 LYS 9 -14.677 -2.524 6.962 355 H VAL 10 HN VAL 10 -12.101 2.218 1.293 356 HA VAL 10 HA VAL 10 -9.853 1.098 0.100 357 HB VAL 10 HB VAL 10 -11.444 3.264 -1.256 358 HG11 VAL 10 HG11 VAL 10 -11.052 1.903 -3.251 359 HG12 VAL 10 HG12 VAL 10 -10.160 0.739 -2.267 360 HG13 VAL 10 HG13 VAL 10 -9.545 2.382 -2.471 361 HG21 VAL 10 HG21 VAL 10 -12.303 0.390 -1.127 362 HG22 VAL 10 HG22 VAL 10 -13.157 1.740 -1.870 363 HG23 VAL 10 HG23 VAL 10 -12.993 1.659 -0.117 364 H GLU 11 HN GLU 11 -10.685 4.543 0.426 365 HA GLU 11 HA GLU 11 -8.269 5.462 -0.757 366 HB2 GLU 11 HB2 GLU 11 -10.242 6.933 1.009 367 HB3 GLU 11 HB1 GLU 11 -8.993 7.685 0.026 368 HG2 GLU 11 HG2 GLU 11 -11.281 6.039 -1.031 369 HG3 GLU 11 HG1 GLU 11 -11.212 7.799 -1.008 370 H GLU 12 HN GLU 12 -9.117 4.556 2.494 371 HA GLU 12 HA GLU 12 -6.989 5.938 3.795 372 HB2 GLU 12 HB2 GLU 12 -8.989 5.106 5.005 373 HB3 GLU 12 HB1 GLU 12 -8.467 3.456 4.698 374 HG2 GLU 12 HG2 GLU 12 -6.444 3.844 6.001 375 HG3 GLU 12 HG1 GLU 12 -6.950 5.505 6.298 376 H LEU 13 HN LEU 13 -7.448 2.629 2.606 377 HA LEU 13 HA LEU 13 -4.810 1.756 3.145 378 HB2 LEU 13 HB2 LEU 13 -6.776 0.841 1.043 379 HB3 LEU 13 HB1 LEU 13 -5.272 0.023 1.415 380 HG LEU 13 HG LEU 13 -7.670 0.322 3.219 381 HD11 LEU 13 HD11 LEU 13 -7.848 -1.393 1.494 382 HD12 LEU 13 HD12 LEU 13 -7.712 -2.108 3.100 383 HD13 LEU 13 HD13 LEU 13 -6.316 -2.088 2.023 384 HD21 LEU 13 HD21 LEU 13 -5.680 0.562 4.570 385 HD22 LEU 13 HD22 LEU 13 -4.959 -0.856 3.811 386 HD23 LEU 13 HD23 LEU 13 -6.387 -1.032 4.831 387 H LEU 14 HN LEU 14 -6.321 3.448 0.503 388 HA LEU 14 HA LEU 14 -4.237 3.483 -1.363 389 HB2 LEU 14 HB2 LEU 14 -6.642 4.317 -1.584 390 HB3 LEU 14 HB1 LEU 14 -6.101 5.773 -0.780 391 HG LEU 14 HG LEU 14 -4.360 5.962 -2.656 392 HD11 LEU 14 HD11 LEU 14 -4.665 3.679 -3.519 393 HD12 LEU 14 HD12 LEU 14 -4.933 4.914 -4.749 394 HD13 LEU 14 HD13 LEU 14 -6.310 4.105 -4.001 395 HD21 LEU 14 HD21 LEU 14 -6.258 7.459 -2.410 396 HD22 LEU 14 HD22 LEU 14 -7.292 6.308 -3.258 397 HD23 LEU 14 HD23 LEU 14 -5.962 7.094 -4.109 398 H SER 15 HN SER 15 -4.710 5.195 1.601 399 HA SER 15 HA SER 15 -2.992 7.387 1.073 400 HB2 SER 15 HB2 SER 15 -3.966 6.308 3.726 401 HB3 SER 15 HB1 SER 15 -3.237 7.891 3.460 402 HG SER 15 HG SER 15 -5.520 7.093 1.999 403 H LYS 16 HN LYS 16 -2.576 4.376 2.991 404 HA LYS 16 HA LYS 16 0.210 5.014 3.302 405 HB2 LYS 16 HB2 LYS 16 0.530 2.898 4.386 406 HB3 LYS 16 HB1 LYS 16 -0.884 3.695 5.052 407 HG2 LYS 16 HG2 LYS 16 -2.348 2.163 4.059 408 HG3 LYS 16 HG1 LYS 16 -1.112 1.578 2.939 409 HD2 LYS 16 HD2 LYS 16 0.100 0.522 4.706 410 HD3 LYS 16 HD1 LYS 16 -0.911 1.279 5.933 411 HE2 LYS 16 HE2 LYS 16 -2.084 -0.551 3.873 412 HE3 LYS 16 HE1 LYS 16 -1.327 -1.193 5.330 413 HZ1 LYS 16 HZ1 LYS 16 -3.577 0.749 5.281 414 HZ2 LYS 16 HZ2 LYS 16 -2.874 0.079 6.664 415 HZ3 LYS 16 HZ3 LYS 16 -3.723 -0.906 5.589 416 H ASN 17 HN ASN 17 -1.690 2.986 1.125 417 HA ASN 17 HA ASN 17 0.298 1.719 -0.328 418 HB2 ASN 17 HB2 ASN 17 -2.389 2.745 -0.905 419 HB3 ASN 17 HB1 ASN 17 -1.338 2.738 -2.316 420 HD21 ASN 17 HD21 ASN 17 -3.705 1.142 -1.605 421 HD22 ASN 17 HD22 ASN 17 -3.202 -0.507 -1.730 422 H TYR 18 HN TYR 18 -0.883 5.050 -0.629 423 HA TYR 18 HA TYR 18 0.851 5.916 -2.651 424 HB2 TYR 18 HB2 TYR 18 -1.065 7.223 -1.937 425 HB3 TYR 18 HB1 TYR 18 -0.367 7.437 -0.338 426 HD1 TYR 18 HD1 TYR 18 0.799 9.377 0.122 427 HD2 TYR 18 HD2 TYR 18 0.375 8.151 -3.930 428 HE1 TYR 18 HE1 TYR 18 1.842 11.471 -0.616 429 HE2 TYR 18 HE2 TYR 18 1.422 10.247 -4.679 430 HH TYR 18 HH TYR 18 1.730 12.553 -3.808 431 H HIS 19 HN HIS 19 1.296 5.777 0.844 432 HA HIS 19 HA HIS 19 3.808 7.153 0.784 433 HB2 HIS 19 HB2 HIS 19 2.242 5.753 2.923 434 HB3 HIS 19 HB1 HIS 19 3.905 6.246 3.216 435 HD1 HIS 19 HD1 HIS 19 0.458 7.626 2.715 436 HD2 HIS 19 HD2 HIS 19 4.314 9.002 3.450 437 HE1 HIS 19 HE1 HIS 19 0.209 10.052 3.322 438 HE2 HIS 19 HE2 HIS 19 2.565 10.898 3.615 439 H LEU 20 HN LEU 20 2.836 3.746 1.054 440 HA LEU 20 HA LEU 20 5.424 2.682 1.423 441 HB2 LEU 20 HB2 LEU 20 3.236 1.321 -0.132 442 HB3 LEU 20 HB1 LEU 20 4.520 0.559 0.771 443 HG LEU 20 HG LEU 20 2.052 1.879 1.772 444 HD11 LEU 20 HD11 LEU 20 1.764 -0.238 2.967 445 HD12 LEU 20 HD12 LEU 20 3.231 -0.841 2.194 446 HD13 LEU 20 HD13 LEU 20 1.822 -0.429 1.216 447 HD21 LEU 20 HD21 LEU 20 3.856 2.753 3.154 448 HD22 LEU 20 HD22 LEU 20 4.458 1.118 3.421 449 HD23 LEU 20 HD23 LEU 20 2.889 1.597 4.071 450 H GLU 21 HN GLU 21 3.483 3.256 -1.470 451 HA GLU 21 HA GLU 21 5.225 2.393 -3.437 452 HB2 GLU 21 HB2 GLU 21 3.147 4.525 -3.334 453 HB3 GLU 21 HB1 GLU 21 4.227 4.498 -4.722 454 HG2 GLU 21 HG2 GLU 21 2.522 2.197 -3.801 455 HG3 GLU 21 HG1 GLU 21 2.132 3.293 -5.124 456 H ASN 22 HN ASN 22 5.157 5.591 -1.898 457 HA ASN 22 HA ASN 22 7.410 6.571 -3.341 458 HB2 ASN 22 HB2 ASN 22 6.115 7.532 -0.782 459 HB3 ASN 22 HB1 ASN 22 7.398 8.393 -1.620 460 HD21 ASN 22 HD21 ASN 22 6.390 7.696 -4.264 461 HD22 ASN 22 HD22 ASN 22 4.991 8.674 -4.517 462 H GLU 23 HN GLU 23 6.962 4.961 -0.256 463 HA GLU 23 HA GLU 23 9.554 5.409 0.772 464 HB2 GLU 23 HB2 GLU 23 7.508 4.626 2.046 465 HB3 GLU 23 HB1 GLU 23 7.795 3.030 1.367 466 HG2 GLU 23 HG2 GLU 23 8.700 3.133 3.585 467 HG3 GLU 23 HG1 GLU 23 10.016 3.008 2.420 468 H VAL 24 HN VAL 24 8.157 2.655 -0.999 469 HA VAL 24 HA VAL 24 10.454 1.050 -1.053 470 HB VAL 24 HB VAL 24 8.299 1.227 -3.181 471 HG11 VAL 24 HG11 VAL 24 8.985 -1.037 -3.780 472 HG12 VAL 24 HG12 VAL 24 10.256 -0.981 -2.558 473 HG13 VAL 24 HG13 VAL 24 10.328 0.094 -3.955 474 HG21 VAL 24 HG21 VAL 24 7.363 0.726 -0.982 475 HG22 VAL 24 HG22 VAL 24 8.507 -0.602 -0.794 476 HG23 VAL 24 HG23 VAL 24 7.272 -0.674 -2.050 477 H ALA 25 HN ALA 25 9.269 3.482 -3.345 478 HA ALA 25 HA ALA 25 11.183 3.114 -5.341 479 HB1 ALA 25 HB1 ALA 25 9.727 5.652 -4.601 480 HB2 ALA 25 HB2 ALA 25 9.113 4.383 -5.661 481 HB3 ALA 25 HB3 ALA 25 10.525 5.328 -6.139 482 H ARG 26 HN ARG 26 11.253 5.165 -2.457 483 HA ARG 26 HA ARG 26 13.690 6.469 -3.136 484 HB2 ARG 26 HB2 ARG 26 11.962 7.271 -1.458 485 HB3 ARG 26 HB1 ARG 26 12.617 6.078 -0.344 486 HG2 ARG 26 HG2 ARG 26 14.748 7.156 -0.332 487 HG3 ARG 26 HG1 ARG 26 14.262 8.245 -1.632 488 HD2 ARG 26 HD2 ARG 26 14.122 9.497 0.365 489 HD3 ARG 26 HD1 ARG 26 12.466 9.096 -0.084 490 HE ARG 26 HE ARG 26 13.824 7.375 1.854 491 HH11 ARG 26 HH11 ARG 26 11.414 9.826 1.184 492 HH12 ARG 26 HH12 ARG 26 10.657 9.685 2.738 493 HH21 ARG 26 HH21 ARG 26 12.837 7.200 3.906 494 HH22 ARG 26 HH22 ARG 26 11.470 8.201 4.291 495 H LEU 27 HN LEU 27 12.904 3.746 -1.005 496 HA LEU 27 HA LEU 27 15.518 3.168 -0.159 497 HB2 LEU 27 HB2 LEU 27 12.962 1.656 -0.310 498 HB3 LEU 27 HB1 LEU 27 14.432 0.749 -0.074 499 HG LEU 27 HG LEU 27 14.847 1.724 2.030 500 HD11 LEU 27 HD11 LEU 27 12.657 3.713 1.441 501 HD12 LEU 27 HD12 LEU 27 14.387 4.055 1.470 502 HD13 LEU 27 HD13 LEU 27 13.557 3.582 2.952 503 HD21 LEU 27 HD21 LEU 27 13.122 0.058 2.115 504 HD22 LEU 27 HD22 LEU 27 11.891 1.258 1.723 505 HD23 LEU 27 HD23 LEU 27 12.743 1.342 3.263 506 H LYS 28 HN LYS 28 13.699 2.164 -2.985 507 HA LYS 28 HA LYS 28 15.306 0.120 -3.950 508 HB2 LYS 28 HB2 LYS 28 13.030 1.150 -4.782 509 HB3 LYS 28 HB1 LYS 28 14.072 2.102 -5.826 510 HG2 LYS 28 HG2 LYS 28 13.385 0.255 -7.101 511 HG3 LYS 28 HG1 LYS 28 15.051 -0.084 -6.630 512 HD2 LYS 28 HD2 LYS 28 13.081 -1.063 -4.712 513 HD3 LYS 28 HD1 LYS 28 12.908 -1.779 -6.314 514 HE2 LYS 28 HE2 LYS 28 15.487 -1.676 -4.755 515 HE3 LYS 28 HE1 LYS 28 14.397 -3.060 -4.793 516 HZ1 LYS 28 HZ1 LYS 28 16.159 -3.370 -6.367 517 HZ2 LYS 28 HZ2 LYS 28 15.843 -1.879 -7.108 518 HZ3 LYS 28 HZ3 LYS 28 14.715 -3.141 -7.216 519 H LYS 29 HN LYS 29 15.540 3.612 -4.482 520 HA LYS 29 HA LYS 29 17.863 3.366 -6.173 521 HB2 LYS 29 HB2 LYS 29 16.676 5.841 -4.905 522 HB3 LYS 29 HB1 LYS 29 17.825 5.798 -6.233 523 HG2 LYS 29 HG2 LYS 29 15.012 4.722 -6.320 524 HG3 LYS 29 HG1 LYS 29 15.544 6.271 -6.985 525 HD2 LYS 29 HD2 LYS 29 16.583 3.568 -7.847 526 HD3 LYS 29 HD1 LYS 29 15.336 4.493 -8.696 527 HE2 LYS 29 HE2 LYS 29 16.960 6.336 -8.978 528 HE3 LYS 29 HE1 LYS 29 18.197 5.332 -8.225 529 HZ1 LYS 29 HZ1 LYS 29 17.863 3.710 -10.013 530 HZ2 LYS 29 HZ2 LYS 29 18.380 5.207 -10.599 531 HZ3 LYS 29 HZ3 LYS 29 16.759 4.755 -10.754 532 H LEU 30 HN LEU 30 17.268 3.552 -2.827 533 HA LEU 30 HA LEU 30 19.825 4.694 -2.126 534 HB2 LEU 30 HB2 LEU 30 17.605 3.510 -0.489 535 HB3 LEU 30 HB1 LEU 30 19.111 4.064 0.214 536 HG LEU 30 HG LEU 30 17.326 5.860 -1.419 537 HD11 LEU 30 HD11 LEU 30 17.351 5.368 1.542 538 HD12 LEU 30 HD12 LEU 30 16.010 5.125 0.423 539 HD13 LEU 30 HD13 LEU 30 16.582 6.754 0.773 540 HD21 LEU 30 HD21 LEU 30 19.544 6.728 -1.243 541 HD22 LEU 30 HD22 LEU 30 19.618 6.348 0.476 542 HD23 LEU 30 HD23 LEU 30 18.538 7.616 -0.101 543 H VAL 31 HN VAL 31 18.345 1.514 -2.310 544 HA VAL 31 HA VAL 31 20.662 0.106 -1.396 545 HB VAL 31 HB VAL 31 18.435 -0.856 -3.219 546 HG11 VAL 31 HG11 VAL 31 20.480 -2.420 -1.647 547 HG12 VAL 31 HG12 VAL 31 20.410 -2.263 -3.402 548 HG13 VAL 31 HG13 VAL 31 19.126 -3.111 -2.540 549 HG21 VAL 31 HG21 VAL 31 17.494 -1.885 -1.204 550 HG22 VAL 31 HG22 VAL 31 17.574 -0.129 -1.066 551 HG23 VAL 31 HG23 VAL 31 18.761 -1.133 -0.234 552 H GLY 32 HN GLY 32 19.541 1.482 -4.366 553 HA2 GLY 32 HA2 GLY 32 20.994 2.322 -6.010 554 HA3 GLY 32 HA1 GLY 32 22.226 1.184 -5.478 555 H GLU 33 HN GLU 33 18.911 0.267 -6.124 556 HA GLU 33 HA GLU 33 19.808 -1.041 -8.596 557 HB2 GLU 33 HB2 GLU 33 19.754 -2.647 -6.666 558 HB3 GLU 33 HB1 GLU 33 18.028 -2.345 -6.530 559 HG2 GLU 33 HG2 GLU 33 18.437 -4.401 -7.733 560 HG3 GLU 33 HG1 GLU 33 17.701 -3.203 -8.797 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 -26.838 -6.376 -2.009 2 H2 GLY 1 HT2 GLY 1 -25.254 -6.915 -2.245 3 H3 GLY 1 HT3 GLY 1 -26.023 -6.003 -3.441 4 HA2 GLY 1 HA1 GLY 1 -26.089 -4.081 -2.002 5 HA3 GLY 1 HA2 GLY 1 -25.322 -5.024 -0.732 6 H SER 2 HN SER 2 -23.808 -3.119 -0.932 7 HA SER 2 HA SER 2 -21.832 -3.621 -3.057 8 HB2 SER 2 HB2 SER 2 -21.077 -1.249 -2.473 9 HB3 SER 2 HB1 SER 2 -22.640 -1.402 -3.280 10 HG SER 2 HG SER 2 -22.807 -0.013 -1.501 11 H MET 3 HN MET 3 -22.292 -4.668 -0.143 12 HA MET 3 HA MET 3 -20.045 -3.829 1.360 13 HB2 MET 3 HB2 MET 3 -21.887 -6.192 1.519 14 HB3 MET 3 HB1 MET 3 -20.473 -6.094 2.554 15 HG2 MET 3 HG2 MET 3 -22.479 -5.322 3.693 16 HG3 MET 3 HG1 MET 3 -21.290 -4.035 3.531 17 HE1 MET 3 HE1 MET 3 -21.494 -2.266 1.311 18 HE2 MET 3 HE2 MET 3 -21.938 -1.741 2.934 19 HE3 MET 3 HE3 MET 3 -22.971 -1.335 1.564 20 H LYS 4 HN LYS 4 -20.600 -6.472 -0.888 21 HA LYS 4 HA LYS 4 -17.998 -7.621 -0.577 22 HB2 LYS 4 HB2 LYS 4 -20.083 -7.954 -2.738 23 HB3 LYS 4 HB1 LYS 4 -18.597 -8.887 -2.647 24 HG2 LYS 4 HG2 LYS 4 -19.288 -9.848 -0.539 25 HG3 LYS 4 HG1 LYS 4 -20.745 -8.852 -0.539 26 HD2 LYS 4 HD2 LYS 4 -21.502 -9.950 -2.586 27 HD3 LYS 4 HD1 LYS 4 -20.039 -10.935 -2.604 28 HE2 LYS 4 HE2 LYS 4 -22.080 -10.938 -0.388 29 HE3 LYS 4 HE1 LYS 4 -22.032 -12.110 -1.702 30 HZ1 LYS 4 HZ1 LYS 4 -20.955 -12.950 0.288 31 HZ2 LYS 4 HZ2 LYS 4 -19.866 -11.660 0.277 32 HZ3 LYS 4 HZ3 LYS 4 -19.841 -12.796 -0.973 33 H GLN 5 HN GLN 5 -18.977 -4.784 -1.889 34 HA GLN 5 HA GLN 5 -17.021 -4.763 -4.062 35 HB2 GLN 5 HB2 GLN 5 -19.097 -2.689 -3.308 36 HB3 GLN 5 HB1 GLN 5 -18.047 -2.629 -4.717 37 HG2 GLN 5 HG2 GLN 5 -20.149 -4.719 -4.191 38 HG3 GLN 5 HG1 GLN 5 -20.320 -3.342 -5.275 39 HE21 GLN 5 HE21 GLN 5 -18.871 -6.450 -4.802 40 HE22 GLN 5 HE22 GLN 5 -18.313 -6.663 -6.420 41 H LEU 6 HN LEU 6 -17.998 -3.037 -1.130 42 HA LEU 6 HA LEU 6 -15.721 -1.454 -0.768 43 HB2 LEU 6 HB2 LEU 6 -17.842 -2.557 0.949 44 HB3 LEU 6 HB1 LEU 6 -16.334 -2.382 1.797 45 HG LEU 6 HG LEU 6 -16.770 0.081 0.514 46 HD11 LEU 6 HD11 LEU 6 -19.257 -0.806 1.942 47 HD12 LEU 6 HD12 LEU 6 -19.106 -0.697 0.187 48 HD13 LEU 6 HD13 LEU 6 -18.945 0.754 1.176 49 HD21 LEU 6 HD21 LEU 6 -16.995 0.897 2.795 50 HD22 LEU 6 HD22 LEU 6 -15.684 -0.275 2.665 51 HD23 LEU 6 HD23 LEU 6 -17.229 -0.755 3.367 52 H GLU 7 HN GLU 7 -16.445 -4.722 0.482 53 HA GLU 7 HA GLU 7 -13.935 -5.236 1.581 54 HB2 GLU 7 HB2 GLU 7 -15.985 -7.146 0.465 55 HB3 GLU 7 HB1 GLU 7 -14.560 -7.658 1.357 56 HG2 GLU 7 HG2 GLU 7 -15.331 -6.405 3.307 57 HG3 GLU 7 HG1 GLU 7 -16.763 -5.897 2.409 58 H ASP 8 HN ASP 8 -15.070 -5.575 -1.749 59 HA ASP 8 HA ASP 8 -12.758 -7.143 -2.501 60 HB2 ASP 8 HB2 ASP 8 -15.172 -6.209 -3.847 61 HB3 ASP 8 HB1 ASP 8 -13.742 -6.170 -4.874 62 H LYS 9 HN LYS 9 -13.729 -3.757 -3.009 63 HA LYS 9 HA LYS 9 -11.432 -3.228 -4.622 64 HB2 LYS 9 HB2 LYS 9 -13.612 -2.027 -4.853 65 HB3 LYS 9 HB1 LYS 9 -13.297 -1.238 -3.315 66 HG2 LYS 9 HG2 LYS 9 -11.298 -0.192 -4.266 67 HG3 LYS 9 HG1 LYS 9 -11.627 -0.971 -5.811 68 HD2 LYS 9 HD2 LYS 9 -13.754 0.217 -5.967 69 HD3 LYS 9 HD1 LYS 9 -13.437 0.996 -4.416 70 HE2 LYS 9 HE2 LYS 9 -11.460 2.070 -5.345 71 HE3 LYS 9 HE1 LYS 9 -11.731 1.263 -6.887 72 HZ1 LYS 9 HZ1 LYS 9 -13.569 3.218 -5.619 73 HZ2 LYS 9 HZ2 LYS 9 -13.814 2.457 -7.106 74 HZ3 LYS 9 HZ3 LYS 9 -12.531 3.541 -6.914 75 H VAL 10 HN VAL 10 -12.270 -2.649 -1.232 76 HA VAL 10 HA VAL 10 -10.013 -1.052 -0.621 77 HB VAL 10 HB VAL 10 -11.491 -2.882 1.276 78 HG11 VAL 10 HG11 VAL 10 -9.868 -0.404 1.804 79 HG12 VAL 10 HG12 VAL 10 -9.338 -2.063 2.101 80 HG13 VAL 10 HG13 VAL 10 -10.688 -1.396 3.013 81 HG21 VAL 10 HG21 VAL 10 -12.869 -0.997 1.883 82 HG22 VAL 10 HG22 VAL 10 -13.028 -1.317 0.156 83 HG23 VAL 10 HG23 VAL 10 -12.030 0.025 0.719 84 H GLU 11 HN GLU 11 -10.632 -4.540 -0.219 85 HA GLU 11 HA GLU 11 -8.067 -5.113 0.862 86 HB2 GLU 11 HB2 GLU 11 -10.104 -6.530 1.157 87 HB3 GLU 11 HB1 GLU 11 -9.984 -7.003 -0.530 88 HG2 GLU 11 HG2 GLU 11 -7.802 -8.013 -0.089 89 HG3 GLU 11 HG1 GLU 11 -7.936 -7.547 1.606 90 H GLU 12 HN GLU 12 -9.163 -4.549 -2.334 91 HA GLU 12 HA GLU 12 -7.192 -5.972 -3.782 92 HB2 GLU 12 HB2 GLU 12 -9.233 -5.003 -4.822 93 HB3 GLU 12 HB1 GLU 12 -8.597 -3.393 -4.525 94 HG2 GLU 12 HG2 GLU 12 -8.258 -4.036 -6.827 95 HG3 GLU 12 HG1 GLU 12 -6.711 -3.858 -6.001 96 H LEU 13 HN LEU 13 -7.395 -2.664 -2.526 97 HA LEU 13 HA LEU 13 -4.708 -2.014 -3.222 98 HB2 LEU 13 HB2 LEU 13 -6.614 -0.772 -1.249 99 HB3 LEU 13 HB1 LEU 13 -5.019 -0.129 -1.595 100 HG LEU 13 HG LEU 13 -7.335 -0.343 -3.517 101 HD11 LEU 13 HD11 LEU 13 -7.446 1.476 -1.871 102 HD12 LEU 13 HD12 LEU 13 -7.235 2.071 -3.518 103 HD13 LEU 13 HD13 LEU 13 -5.864 2.038 -2.409 104 HD21 LEU 13 HD21 LEU 13 -5.259 -0.818 -4.696 105 HD22 LEU 13 HD22 LEU 13 -4.518 0.623 -3.997 106 HD23 LEU 13 HD23 LEU 13 -5.861 0.782 -5.128 107 H LEU 14 HN LEU 14 -6.259 -3.537 -0.511 108 HA LEU 14 HA LEU 14 -4.136 -3.444 1.332 109 HB2 LEU 14 HB2 LEU 14 -6.569 -4.204 1.674 110 HB3 LEU 14 HB1 LEU 14 -6.038 -5.754 1.057 111 HG LEU 14 HG LEU 14 -4.342 -5.838 2.900 112 HD11 LEU 14 HD11 LEU 14 -4.248 -3.424 3.337 113 HD12 LEU 14 HD12 LEU 14 -4.622 -4.347 4.794 114 HD13 LEU 14 HD13 LEU 14 -5.905 -3.485 3.944 115 HD21 LEU 14 HD21 LEU 14 -5.973 -6.418 4.639 116 HD22 LEU 14 HD22 LEU 14 -6.436 -7.058 3.062 117 HD23 LEU 14 HD23 LEU 14 -7.241 -5.626 3.705 118 H SER 15 HN SER 15 -4.772 -5.397 -1.436 119 HA SER 15 HA SER 15 -2.898 -7.455 -0.977 120 HB2 SER 15 HB2 SER 15 -4.711 -7.689 -2.621 121 HB3 SER 15 HB1 SER 15 -4.017 -6.389 -3.586 122 HG SER 15 HG SER 15 -3.123 -9.019 -3.217 123 H LYS 16 HN LYS 16 -2.745 -4.420 -2.863 124 HA LYS 16 HA LYS 16 0.051 -4.790 -3.335 125 HB2 LYS 16 HB2 LYS 16 0.081 -2.539 -4.260 126 HB3 LYS 16 HB1 LYS 16 -1.226 -3.494 -4.940 127 HG2 LYS 16 HG2 LYS 16 -2.814 -2.347 -3.485 128 HG3 LYS 16 HG1 LYS 16 -1.497 -1.388 -2.810 129 HD2 LYS 16 HD2 LYS 16 -2.277 -1.433 -5.723 130 HD3 LYS 16 HD1 LYS 16 -2.780 -0.199 -4.570 131 HE2 LYS 16 HE2 LYS 16 -0.490 0.477 -4.221 132 HE3 LYS 16 HE1 LYS 16 0.088 -0.848 -5.231 133 HZ1 LYS 16 HZ1 LYS 16 -1.583 1.419 -6.162 134 HZ2 LYS 16 HZ2 LYS 16 -1.001 0.158 -7.126 135 HZ3 LYS 16 HZ3 LYS 16 0.079 1.253 -6.421 136 H ASN 17 HN ASN 17 -1.856 -3.223 -0.837 137 HA ASN 17 HA ASN 17 0.157 -1.911 0.588 138 HB2 ASN 17 HB2 ASN 17 -2.174 -3.577 1.563 139 HB3 ASN 17 HB1 ASN 17 -1.064 -2.796 2.675 140 HD21 ASN 17 HD21 ASN 17 -0.703 -0.419 1.115 141 HD22 ASN 17 HD22 ASN 17 -2.187 0.460 1.203 142 H TYR 18 HN TYR 18 -0.789 -5.330 0.553 143 HA TYR 18 HA TYR 18 1.211 -6.230 2.333 144 HB2 TYR 18 HB2 TYR 18 -0.798 -7.544 1.636 145 HB3 TYR 18 HB1 TYR 18 -0.045 -7.789 0.065 146 HD1 TYR 18 HD1 TYR 18 1.120 -9.764 -0.267 147 HD2 TYR 18 HD2 TYR 18 0.752 -8.231 3.683 148 HE1 TYR 18 HE1 TYR 18 2.288 -11.745 0.609 149 HE2 TYR 18 HE2 TYR 18 1.914 -10.203 4.566 150 HH TYR 18 HH TYR 18 2.425 -12.464 3.977 151 H HIS 19 HN HIS 19 1.172 -5.942 -1.199 152 HA HIS 19 HA HIS 19 3.693 -7.089 -1.679 153 HB2 HIS 19 HB2 HIS 19 1.966 -5.196 -3.233 154 HB3 HIS 19 HB1 HIS 19 3.585 -5.580 -3.798 155 HD1 HIS 19 HD1 HIS 19 3.454 -7.276 -5.570 156 HD2 HIS 19 HD2 HIS 19 0.634 -7.957 -2.597 157 HE1 HIS 19 HE1 HIS 19 2.239 -9.366 -6.259 158 HE2 HIS 19 HE2 HIS 19 0.641 -9.838 -4.371 159 H LEU 20 HN LEU 20 2.796 -3.650 -1.391 160 HA LEU 20 HA LEU 20 5.375 -2.587 -1.708 161 HB2 LEU 20 HB2 LEU 20 3.212 -1.418 0.032 162 HB3 LEU 20 HB1 LEU 20 4.515 -0.543 -0.731 163 HG LEU 20 HG LEU 20 2.094 -1.743 -1.976 164 HD11 LEU 20 HD11 LEU 20 3.171 1.051 -1.939 165 HD12 LEU 20 HD12 LEU 20 1.774 0.443 -1.051 166 HD13 LEU 20 HD13 LEU 20 1.731 0.526 -2.811 167 HD21 LEU 20 HD21 LEU 20 3.938 -2.322 -3.435 168 HD22 LEU 20 HD22 LEU 20 4.523 -0.657 -3.392 169 HD23 LEU 20 HD23 LEU 20 2.984 -1.033 -4.170 170 H GLU 21 HN GLU 21 3.547 -3.462 1.171 171 HA GLU 21 HA GLU 21 5.427 -2.795 3.116 172 HB2 GLU 21 HB2 GLU 21 3.180 -4.719 2.976 173 HB3 GLU 21 HB1 GLU 21 4.357 -4.980 4.254 174 HG2 GLU 21 HG2 GLU 21 2.832 -2.432 3.773 175 HG3 GLU 21 HG1 GLU 21 2.457 -3.638 4.998 176 H ASN 22 HN ASN 22 5.144 -5.819 1.269 177 HA ASN 22 HA ASN 22 7.368 -7.101 2.456 178 HB2 ASN 22 HB2 ASN 22 6.152 -7.453 -0.293 179 HB3 ASN 22 HB1 ASN 22 7.405 -8.494 0.369 180 HD21 ASN 22 HD21 ASN 22 4.769 -9.203 -0.501 181 HD22 ASN 22 HD22 ASN 22 3.964 -9.893 0.863 182 H GLU 23 HN GLU 23 7.027 -4.962 -0.333 183 HA GLU 23 HA GLU 23 9.679 -5.205 -1.277 184 HB2 GLU 23 HB2 GLU 23 7.763 -2.881 -1.536 185 HB3 GLU 23 HB1 GLU 23 9.246 -3.075 -2.460 186 HG2 GLU 23 HG2 GLU 23 6.833 -4.871 -2.547 187 HG3 GLU 23 HG1 GLU 23 7.338 -3.721 -3.785 188 H VAL 24 HN VAL 24 8.172 -2.840 0.907 189 HA VAL 24 HA VAL 24 10.471 -1.279 1.323 190 HB VAL 24 HB VAL 24 8.234 -1.719 3.324 191 HG11 VAL 24 HG11 VAL 24 10.217 -0.624 4.250 192 HG12 VAL 24 HG12 VAL 24 8.852 0.490 4.154 193 HG13 VAL 24 HG13 VAL 24 10.150 0.582 2.961 194 HG21 VAL 24 HG21 VAL 24 7.182 0.260 2.361 195 HG22 VAL 24 HG22 VAL 24 7.328 -1.027 1.164 196 HG23 VAL 24 HG23 VAL 24 8.442 0.340 1.131 197 H ALA 25 HN ALA 25 9.184 -4.085 3.077 198 HA ALA 25 HA ALA 25 11.011 -4.096 5.204 199 HB1 ALA 25 HB1 ALA 25 10.356 -6.431 5.533 200 HB2 ALA 25 HB2 ALA 25 9.610 -6.451 3.934 201 HB3 ALA 25 HB3 ALA 25 8.948 -5.420 5.203 202 H ARG 26 HN ARG 26 11.115 -5.809 2.094 203 HA ARG 26 HA ARG 26 13.574 -7.108 2.450 204 HB2 ARG 26 HB2 ARG 26 12.058 -7.682 0.633 205 HB3 ARG 26 HB1 ARG 26 12.271 -6.091 -0.081 206 HG2 ARG 26 HG2 ARG 26 13.552 -7.749 -1.288 207 HG3 ARG 26 HG1 ARG 26 14.628 -6.596 -0.497 208 HD2 ARG 26 HD2 ARG 26 14.916 -8.227 1.356 209 HD3 ARG 26 HD1 ARG 26 13.955 -9.384 0.436 210 HE ARG 26 HE ARG 26 15.890 -8.737 -1.311 211 HH11 ARG 26 HH11 ARG 26 15.961 -9.766 2.033 212 HH12 ARG 26 HH12 ARG 26 17.539 -10.476 1.914 213 HH21 ARG 26 HH21 ARG 26 17.976 -9.685 -1.475 214 HH22 ARG 26 HH22 ARG 26 18.681 -10.437 -0.080 215 H LEU 27 HN LEU 27 12.831 -3.992 0.949 216 HA LEU 27 HA LEU 27 15.479 -3.308 0.306 217 HB2 LEU 27 HB2 LEU 27 12.893 -1.885 0.515 218 HB3 LEU 27 HB1 LEU 27 14.342 -0.912 0.552 219 HG LEU 27 HG LEU 27 14.965 -1.549 -1.642 220 HD11 LEU 27 HD11 LEU 27 12.757 -3.599 -1.571 221 HD12 LEU 27 HD12 LEU 27 14.486 -3.941 -1.491 222 HD13 LEU 27 HD13 LEU 27 13.794 -3.233 -2.951 223 HD21 LEU 27 HD21 LEU 27 12.996 -0.946 -2.967 224 HD22 LEU 27 HD22 LEU 27 13.210 0.104 -1.569 225 HD23 LEU 27 HD23 LEU 27 11.985 -1.163 -1.540 226 H LYS 28 HN LYS 28 13.573 -2.800 3.232 227 HA LYS 28 HA LYS 28 15.248 -0.970 4.518 228 HB2 LYS 28 HB2 LYS 28 13.291 -3.014 5.485 229 HB3 LYS 28 HB1 LYS 28 14.313 -2.186 6.650 230 HG2 LYS 28 HG2 LYS 28 12.527 -0.787 4.674 231 HG3 LYS 28 HG1 LYS 28 12.076 -1.157 6.338 232 HD2 LYS 28 HD2 LYS 28 13.935 0.192 7.157 233 HD3 LYS 28 HD1 LYS 28 14.430 0.537 5.501 234 HE2 LYS 28 HE2 LYS 28 12.380 1.731 5.088 235 HE3 LYS 28 HE1 LYS 28 11.758 1.284 6.675 236 HZ1 LYS 28 HZ1 LYS 28 12.615 3.544 6.649 237 HZ2 LYS 28 HZ2 LYS 28 14.139 2.987 6.175 238 HZ3 LYS 28 HZ3 LYS 28 13.522 2.572 7.693 239 H LYS 29 HN LYS 29 15.430 -4.490 4.344 240 HA LYS 29 HA LYS 29 17.605 -4.714 6.187 241 HB2 LYS 29 HB2 LYS 29 16.709 -6.639 4.034 242 HB3 LYS 29 HB1 LYS 29 17.794 -7.013 5.363 243 HG2 LYS 29 HG2 LYS 29 15.978 -6.569 6.953 244 HG3 LYS 29 HG1 LYS 29 14.890 -6.253 5.594 245 HD2 LYS 29 HD2 LYS 29 15.310 -8.540 4.768 246 HD3 LYS 29 HD1 LYS 29 16.324 -8.843 6.188 247 HE2 LYS 29 HE2 LYS 29 13.385 -8.154 6.212 248 HE3 LYS 29 HE1 LYS 29 14.075 -9.751 6.486 249 HZ1 LYS 29 HZ1 LYS 29 15.230 -8.836 8.436 250 HZ2 LYS 29 HZ2 LYS 29 13.552 -8.725 8.574 251 HZ3 LYS 29 HZ3 LYS 29 14.455 -7.352 8.193 252 H LEU 30 HN LEU 30 17.279 -3.992 2.855 253 HA LEU 30 HA LEU 30 19.986 -4.720 2.159 254 HB2 LEU 30 HB2 LEU 30 17.789 -3.432 0.560 255 HB3 LEU 30 HB1 LEU 30 19.347 -3.916 -0.087 256 HG LEU 30 HG LEU 30 17.483 -5.877 1.235 257 HD11 LEU 30 HD11 LEU 30 17.652 -5.115 -1.666 258 HD12 LEU 30 HD12 LEU 30 16.267 -4.914 -0.590 259 HD13 LEU 30 HD13 LEU 30 16.808 -6.530 -1.036 260 HD21 LEU 30 HD21 LEU 30 19.854 -6.150 -0.603 261 HD22 LEU 30 HD22 LEU 30 18.773 -7.477 -0.186 262 HD23 LEU 30 HD23 LEU 30 19.724 -6.689 1.072 263 H VAL 31 HN VAL 31 18.103 -1.800 2.736 264 HA VAL 31 HA VAL 31 20.331 -0.033 2.267 265 HB VAL 31 HB VAL 31 17.787 0.486 3.835 266 HG11 VAL 31 HG11 VAL 31 18.273 2.857 3.418 267 HG12 VAL 31 HG12 VAL 31 19.797 2.401 2.658 268 HG13 VAL 31 HG13 VAL 31 19.536 2.081 4.372 269 HG21 VAL 31 HG21 VAL 31 18.428 1.044 0.944 270 HG22 VAL 31 HG22 VAL 31 16.988 1.602 1.793 271 HG23 VAL 31 HG23 VAL 31 17.254 -0.124 1.553 272 H GLY 32 HN GLY 32 19.020 -1.890 4.861 273 HA2 GLY 32 HA2 GLY 32 20.275 -0.627 7.047 274 HA3 GLY 32 HA1 GLY 32 19.665 -2.277 7.007 275 H GLU 33 HN GLU 33 21.137 -3.741 5.522 276 HA GLU 33 HA GLU 33 23.937 -3.156 6.179 277 HB2 GLU 33 HB2 GLU 33 24.158 -5.636 6.740 278 HB3 GLU 33 HB1 GLU 33 23.339 -4.623 7.918 279 HG2 GLU 33 HG2 GLU 33 21.177 -5.403 7.088 280 HG3 GLU 33 HG1 GLU 33 22.000 -6.420 5.907 281 H1 GLY 1 HT1 GLY 1 -26.860 6.563 0.905 282 H2 GLY 1 HT2 GLY 1 -25.283 7.084 1.200 283 H3 GLY 1 HT3 GLY 1 -26.099 6.171 2.365 284 HA2 GLY 1 HA1 GLY 1 -26.135 4.262 0.894 285 HA3 GLY 1 HA2 GLY 1 -25.302 5.214 -0.328 286 H SER 2 HN SER 2 -23.812 3.298 -0.098 287 HA SER 2 HA SER 2 -21.926 3.751 2.117 288 HB2 SER 2 HB2 SER 2 -21.167 1.376 1.522 289 HB3 SER 2 HB1 SER 2 -22.752 1.539 2.287 290 HG SER 2 HG SER 2 -22.854 0.167 0.470 291 H MET 3 HN MET 3 -22.251 4.844 -0.799 292 HA MET 3 HA MET 3 -19.952 3.994 -2.220 293 HB2 MET 3 HB2 MET 3 -21.765 6.378 -2.431 294 HB3 MET 3 HB1 MET 3 -20.311 6.275 -3.409 295 HG2 MET 3 HG2 MET 3 -22.278 5.534 -4.630 296 HG3 MET 3 HG1 MET 3 -21.108 4.235 -4.437 297 HE1 MET 3 HE1 MET 3 -21.413 2.440 -2.249 298 HE2 MET 3 HE2 MET 3 -21.799 1.941 -3.896 299 HE3 MET 3 HE3 MET 3 -22.886 1.527 -2.571 300 H LYS 4 HN LYS 4 -20.575 6.613 0.039 301 HA LYS 4 HA LYS 4 -17.951 7.742 -0.157 302 HB2 LYS 4 HB2 LYS 4 -20.119 8.072 1.920 303 HB3 LYS 4 HB1 LYS 4 -18.623 8.990 1.903 304 HG2 LYS 4 HG2 LYS 4 -19.222 9.985 -0.220 305 HG3 LYS 4 HG1 LYS 4 -20.687 9.002 -0.290 306 HD2 LYS 4 HD2 LYS 4 -21.516 10.085 1.737 307 HD3 LYS 4 HD1 LYS 4 -20.045 11.053 1.829 308 HE2 LYS 4 HE2 LYS 4 -21.987 11.104 -0.474 309 HE3 LYS 4 HE1 LYS 4 -21.989 12.257 0.857 310 HZ1 LYS 4 HZ1 LYS 4 -20.825 13.124 -1.068 311 HZ2 LYS 4 HZ2 LYS 4 -19.747 11.823 -1.043 312 HZ3 LYS 4 HZ3 LYS 4 -19.760 12.934 0.232 313 H GLN 5 HN GLN 5 -19.011 4.901 1.078 314 HA GLN 5 HA GLN 5 -17.143 4.835 3.328 315 HB2 GLN 5 HB2 GLN 5 -19.206 2.788 2.468 316 HB3 GLN 5 HB1 GLN 5 -18.211 2.700 3.916 317 HG2 GLN 5 HG2 GLN 5 -20.273 4.814 3.337 318 HG3 GLN 5 HG1 GLN 5 -20.496 3.427 4.398 319 HE21 GLN 5 HE21 GLN 5 -19.016 6.532 4.012 320 HE22 GLN 5 HE22 GLN 5 -18.512 6.725 5.654 321 H LEU 6 HN LEU 6 -18.016 3.153 0.333 322 HA LEU 6 HA LEU 6 -15.739 1.556 0.049 323 HB2 LEU 6 HB2 LEU 6 -17.779 2.692 -1.737 324 HB3 LEU 6 HB1 LEU 6 -16.239 2.517 -2.529 325 HG LEU 6 HG LEU 6 -16.743 0.042 -1.292 326 HD11 LEU 6 HD11 LEU 6 -19.168 0.969 -2.802 327 HD12 LEU 6 HD12 LEU 6 -19.086 0.835 -1.045 328 HD13 LEU 6 HD13 LEU 6 -18.901 -0.605 -2.046 329 HD21 LEU 6 HD21 LEU 6 -16.891 -0.745 -3.590 330 HD22 LEU 6 HD22 LEU 6 -15.575 0.415 -3.395 331 HD23 LEU 6 HD23 LEU 6 -17.089 0.917 -4.150 332 H GLU 7 HN GLU 7 -16.384 4.842 -1.185 333 HA GLU 7 HA GLU 7 -13.833 5.349 -2.177 334 HB2 GLU 7 HB2 GLU 7 -15.905 7.265 -1.111 335 HB3 GLU 7 HB1 GLU 7 -14.442 7.772 -1.942 336 HG2 GLU 7 HG2 GLU 7 -15.150 6.558 -3.934 337 HG3 GLU 7 HG1 GLU 7 -16.617 6.048 -3.099 338 H ASP 8 HN ASP 8 -15.091 5.658 1.109 339 HA ASP 8 HA ASP 8 -12.796 7.189 1.972 340 HB2 ASP 8 HB2 ASP 8 -15.272 6.270 3.206 341 HB3 ASP 8 HB1 ASP 8 -13.887 6.199 4.293 342 H LYS 9 HN LYS 9 -13.820 3.809 2.400 343 HA LYS 9 HA LYS 9 -11.595 3.239 4.101 344 HB2 LYS 9 HB2 LYS 9 -13.796 2.063 4.230 345 HB3 LYS 9 HB1 LYS 9 -13.427 1.285 2.698 346 HG2 LYS 9 HG2 LYS 9 -11.477 0.212 3.719 347 HG3 LYS 9 HG1 LYS 9 -11.865 0.976 5.260 348 HD2 LYS 9 HD2 LYS 9 -14.006 -0.199 5.313 349 HD3 LYS 9 HD1 LYS 9 -13.634 -0.956 3.763 350 HE2 LYS 9 HE2 LYS 9 -11.709 -2.070 4.749 351 HE3 LYS 9 HE1 LYS 9 -12.024 -1.278 6.293 352 HZ1 LYS 9 HZ1 LYS 9 -13.842 -3.192 4.934 353 HZ2 LYS 9 HZ2 LYS 9 -14.129 -2.449 6.425 354 HZ3 LYS 9 HZ3 LYS 9 -12.853 -3.544 6.258 355 H VAL 10 HN VAL 10 -12.303 2.709 0.672 356 HA VAL 10 HA VAL 10 -10.039 1.097 0.129 357 HB VAL 10 HB VAL 10 -11.419 2.964 -1.803 358 HG11 VAL 10 HG11 VAL 10 -9.797 0.476 -2.290 359 HG12 VAL 10 HG12 VAL 10 -9.239 2.132 -2.547 360 HG13 VAL 10 HG13 VAL 10 -10.557 1.487 -3.523 361 HG21 VAL 10 HG21 VAL 10 -12.789 1.098 -2.486 362 HG22 VAL 10 HG22 VAL 10 -13.013 1.400 -0.763 363 HG23 VAL 10 HG23 VAL 10 -12.006 0.056 -1.302 364 H GLU 11 HN GLU 11 -10.605 4.594 -0.239 365 HA GLU 11 HA GLU 11 -7.992 5.153 -1.215 366 HB2 GLU 11 HB2 GLU 11 -9.999 6.594 -1.574 367 HB3 GLU 11 HB1 GLU 11 -9.945 7.045 0.122 368 HG2 GLU 11 HG2 GLU 11 -7.740 8.039 -0.216 369 HG3 GLU 11 HG1 GLU 11 -7.803 7.593 -1.920 370 H GLU 12 HN GLU 12 -9.228 4.570 1.927 371 HA GLU 12 HA GLU 12 -7.304 5.949 3.471 372 HB2 GLU 12 HB2 GLU 12 -9.393 4.986 4.412 373 HB3 GLU 12 HB1 GLU 12 -8.760 3.374 4.119 374 HG2 GLU 12 HG2 GLU 12 -8.511 3.988 6.446 375 HG3 GLU 12 HG1 GLU 12 -6.936 3.799 5.678 376 H LEU 13 HN LEU 13 -7.483 2.659 2.164 377 HA LEU 13 HA LEU 13 -4.833 1.976 2.961 378 HB2 LEU 13 HB2 LEU 13 -6.667 0.777 0.896 379 HB3 LEU 13 HB1 LEU 13 -5.095 0.114 1.301 380 HG LEU 13 HG LEU 13 -7.488 0.326 3.124 381 HD11 LEU 13 HD11 LEU 13 -7.543 -1.473 1.457 382 HD12 LEU 13 HD12 LEU 13 -7.402 -2.088 3.102 383 HD13 LEU 13 HD13 LEU 13 -5.987 -2.051 2.050 384 HD21 LEU 13 HD21 LEU 13 -5.463 0.770 4.396 385 HD22 LEU 13 HD22 LEU 13 -4.703 -0.669 3.714 386 HD23 LEU 13 HD23 LEU 13 -6.097 -0.830 4.782 387 H LEU 14 HN LEU 14 -6.257 3.547 0.207 388 HA LEU 14 HA LEU 14 -4.061 3.456 -1.551 389 HB2 LEU 14 HB2 LEU 14 -6.473 4.242 -1.980 390 HB3 LEU 14 HB1 LEU 14 -5.952 5.779 -1.323 391 HG LEU 14 HG LEU 14 -4.184 5.868 -3.094 392 HD11 LEU 14 HD11 LEU 14 -4.094 3.458 -3.555 393 HD12 LEU 14 HD12 LEU 14 -4.399 4.402 -5.015 394 HD13 LEU 14 HD13 LEU 14 -5.723 3.541 -4.228 395 HD21 LEU 14 HD21 LEU 14 -5.736 6.485 -4.891 396 HD22 LEU 14 HD22 LEU 14 -6.256 7.112 -3.328 397 HD23 LEU 14 HD23 LEU 14 -7.049 5.696 -4.018 398 H SER 15 HN SER 15 -4.793 5.378 1.215 399 HA SER 15 HA SER 15 -2.882 7.423 0.853 400 HB2 SER 15 HB2 SER 15 -4.759 7.661 2.424 401 HB3 SER 15 HB1 SER 15 -4.118 6.343 3.403 402 HG SER 15 HG SER 15 -3.205 8.973 3.117 403 H LYS 16 HN LYS 16 -2.836 4.366 2.712 404 HA LYS 16 HA LYS 16 -0.058 4.704 3.299 405 HB2 LYS 16 HB2 LYS 16 -0.085 2.441 4.196 406 HB3 LYS 16 HB1 LYS 16 -1.405 3.402 4.837 407 HG2 LYS 16 HG2 LYS 16 -2.950 2.289 3.307 408 HG3 LYS 16 HG1 LYS 16 -1.617 1.323 2.675 409 HD2 LYS 16 HD2 LYS 16 -2.515 1.345 5.557 410 HD3 LYS 16 HD1 LYS 16 -2.979 0.127 4.369 411 HE2 LYS 16 HE2 LYS 16 -0.676 -0.552 4.103 412 HE3 LYS 16 HE1 LYS 16 -0.138 0.745 5.169 413 HZ1 LYS 16 HZ1 LYS 16 -1.866 -1.531 5.969 414 HZ2 LYS 16 HZ2 LYS 16 -1.322 -0.300 6.989 415 HZ3 LYS 16 HZ3 LYS 16 -0.216 -1.383 6.308 416 H ASN 17 HN ASN 17 -1.877 3.189 0.704 417 HA ASN 17 HA ASN 17 0.183 1.868 -0.650 418 HB2 ASN 17 HB2 ASN 17 -2.094 3.566 -1.699 419 HB3 ASN 17 HB1 ASN 17 -0.944 2.793 -2.775 420 HD21 ASN 17 HD21 ASN 17 -0.666 0.391 -1.233 421 HD22 ASN 17 HD22 ASN 17 -2.152 -0.474 -1.394 422 H TYR 18 HN TYR 18 -0.731 5.297 -0.610 423 HA TYR 18 HA TYR 18 1.346 6.198 -2.298 424 HB2 TYR 18 HB2 TYR 18 -0.678 7.526 -1.668 425 HB3 TYR 18 HB1 TYR 18 0.012 7.744 -0.063 426 HD1 TYR 18 HD1 TYR 18 1.184 9.703 0.339 427 HD2 TYR 18 HD2 TYR 18 0.958 8.227 -3.639 428 HE1 TYR 18 HE1 TYR 18 2.405 11.684 -0.463 429 HE2 TYR 18 HE2 TYR 18 2.175 10.197 -4.453 430 HH TYR 18 HH TYR 18 2.660 12.465 -3.793 431 H HIS 19 HN HIS 19 1.161 5.878 1.224 432 HA HIS 19 HA HIS 19 3.670 6.991 1.821 433 HB2 HIS 19 HB2 HIS 19 1.864 5.095 3.281 434 HB3 HIS 19 HB1 HIS 19 3.462 5.456 3.916 435 HD1 HIS 19 HD1 HIS 19 3.267 7.127 5.708 436 HD2 HIS 19 HD2 HIS 19 0.579 7.874 2.628 437 HE1 HIS 19 HE1 HIS 19 2.050 9.224 6.368 438 HE2 HIS 19 HE2 HIS 19 0.531 9.734 4.425 439 H LEU 20 HN LEU 20 2.754 3.562 1.459 440 HA LEU 20 HA LEU 20 5.308 2.472 1.866 441 HB2 LEU 20 HB2 LEU 20 3.211 1.341 0.025 442 HB3 LEU 20 HB1 LEU 20 4.474 0.448 0.836 443 HG LEU 20 HG LEU 20 2.014 1.658 1.988 444 HD11 LEU 20 HD11 LEU 20 3.061 -1.148 1.961 445 HD12 LEU 20 HD12 LEU 20 1.710 -0.511 1.021 446 HD13 LEU 20 HD13 LEU 20 1.592 -0.615 2.777 447 HD21 LEU 20 HD21 LEU 20 3.799 2.200 3.532 448 HD22 LEU 20 HD22 LEU 20 4.367 0.529 3.495 449 HD23 LEU 20 HD23 LEU 20 2.800 0.915 4.211 450 H GLU 21 HN GLU 21 3.606 3.397 -1.077 451 HA GLU 21 HA GLU 21 5.557 2.737 -2.949 452 HB2 GLU 21 HB2 GLU 21 3.320 4.678 -2.876 453 HB3 GLU 21 HB1 GLU 21 4.549 4.946 -4.102 454 HG2 GLU 21 HG2 GLU 21 2.988 2.404 -3.714 455 HG3 GLU 21 HG1 GLU 21 2.667 3.629 -4.937 456 H ASN 22 HN ASN 22 5.230 5.745 -1.077 457 HA ASN 22 HA ASN 22 7.514 7.018 -2.155 458 HB2 ASN 22 HB2 ASN 22 6.187 7.346 0.542 459 HB3 ASN 22 HB1 ASN 22 7.481 8.382 -0.049 460 HD21 ASN 22 HD21 ASN 22 4.823 9.106 0.713 461 HD22 ASN 22 HD22 ASN 22 4.086 9.827 -0.675 462 H GLU 23 HN GLU 23 7.038 4.848 0.588 463 HA GLU 23 HA GLU 23 9.651 5.050 1.643 464 HB2 GLU 23 HB2 GLU 23 7.704 2.742 1.795 465 HB3 GLU 23 HB1 GLU 23 9.149 2.911 2.781 466 HG2 GLU 23 HG2 GLU 23 6.750 4.726 2.791 467 HG3 GLU 23 HG1 GLU 23 7.191 3.556 4.033 468 H VAL 24 HN VAL 24 8.211 2.735 -0.638 469 HA VAL 24 HA VAL 24 10.511 1.149 -0.971 470 HB VAL 24 HB VAL 24 8.361 1.630 -3.057 471 HG11 VAL 24 HG11 VAL 24 10.372 0.525 -3.910 472 HG12 VAL 24 HG12 VAL 24 8.994 -0.577 -3.883 473 HG13 VAL 24 HG13 VAL 24 10.240 -0.692 -2.637 474 HG21 VAL 24 HG21 VAL 24 7.252 -0.349 -2.160 475 HG22 VAL 24 HG22 VAL 24 7.360 0.924 -0.944 476 HG23 VAL 24 HG23 VAL 24 8.460 -0.454 -0.880 477 H ALA 25 HN ALA 25 9.320 3.985 -2.746 478 HA ALA 25 HA ALA 25 11.236 4.002 -4.790 479 HB1 ALA 25 HB1 ALA 25 10.615 6.346 -5.119 480 HB2 ALA 25 HB2 ALA 25 9.802 6.354 -3.554 481 HB3 ALA 25 HB3 ALA 25 9.187 5.343 -4.862 482 H ARG 26 HN ARG 26 11.224 5.689 -1.661 483 HA ARG 26 HA ARG 26 13.709 6.962 -1.895 484 HB2 ARG 26 HB2 ARG 26 12.122 7.525 -0.131 485 HB3 ARG 26 HB1 ARG 26 12.295 5.922 0.569 486 HG2 ARG 26 HG2 ARG 26 13.541 7.553 1.847 487 HG3 ARG 26 HG1 ARG 26 14.635 6.400 1.085 488 HD2 ARG 26 HD2 ARG 26 15.012 8.048 -0.736 489 HD3 ARG 26 HD1 ARG 26 14.030 9.204 0.163 490 HE ARG 26 HE ARG 26 15.893 8.502 1.972 491 HH11 ARG 26 HH11 ARG 26 16.106 9.581 -1.350 492 HH12 ARG 26 HH12 ARG 26 17.678 10.288 -1.156 493 HH21 ARG 26 HH21 ARG 26 17.975 9.430 2.230 494 HH22 ARG 26 HH22 ARG 26 18.743 10.202 0.879 495 H LEU 27 HN LEU 27 12.879 3.832 -0.471 496 HA LEU 27 HA LEU 27 15.492 3.118 0.269 497 HB2 LEU 27 HB2 LEU 27 12.909 1.713 -0.064 498 HB3 LEU 27 HB1 LEU 27 14.353 0.734 -0.047 499 HG LEU 27 HG LEU 27 14.887 1.347 2.175 500 HD11 LEU 27 HD11 LEU 27 12.696 3.414 2.032 501 HD12 LEU 27 HD12 LEU 27 14.428 3.744 2.032 502 HD13 LEU 27 HD13 LEU 27 13.667 3.027 3.452 503 HD21 LEU 27 HD21 LEU 27 12.859 0.746 3.413 504 HD22 LEU 27 HD22 LEU 27 13.123 -0.294 2.016 505 HD23 LEU 27 HD23 LEU 27 11.909 0.982 1.948 506 H LYS 28 HN LYS 28 13.703 2.661 -2.734 507 HA LYS 28 HA LYS 28 15.408 0.826 -3.973 508 HB2 LYS 28 HB2 LYS 28 13.509 2.903 -4.988 509 HB3 LYS 28 HB1 LYS 28 14.568 2.081 -6.123 510 HG2 LYS 28 HG2 LYS 28 12.693 0.673 -4.241 511 HG3 LYS 28 HG1 LYS 28 12.315 1.070 -5.919 512 HD2 LYS 28 HD2 LYS 28 14.192 -0.287 -6.676 513 HD3 LYS 28 HD1 LYS 28 14.619 -0.655 -5.006 514 HE2 LYS 28 HE2 LYS 28 12.545 -1.837 -4.688 515 HE3 LYS 28 HE1 LYS 28 11.990 -1.366 -6.292 516 HZ1 LYS 28 HZ1 LYS 28 12.829 -3.635 -6.257 517 HZ2 LYS 28 HZ2 LYS 28 14.337 -3.093 -5.726 518 HZ3 LYS 28 HZ3 LYS 28 13.777 -2.661 -7.260 519 H LYS 29 HN LYS 29 15.616 4.341 -3.747 520 HA LYS 29 HA LYS 29 17.868 4.569 -5.500 521 HB2 LYS 29 HB2 LYS 29 16.905 6.480 -3.363 522 HB3 LYS 29 HB1 LYS 29 18.047 6.857 -4.645 523 HG2 LYS 29 HG2 LYS 29 16.291 6.451 -6.311 524 HG3 LYS 29 HG1 LYS 29 15.146 6.128 -5.001 525 HD2 LYS 29 HD2 LYS 29 15.555 8.401 -4.129 526 HD3 LYS 29 HD1 LYS 29 16.626 8.712 -5.503 527 HE2 LYS 29 HE2 LYS 29 13.684 8.054 -5.651 528 HE3 LYS 29 HE1 LYS 29 14.401 9.648 -5.878 529 HZ1 LYS 29 HZ1 LYS 29 15.616 8.751 -7.796 530 HZ2 LYS 29 HZ2 LYS 29 13.941 8.648 -7.995 531 HZ3 LYS 29 HZ3 LYS 29 14.828 7.267 -7.599 532 H LEU 30 HN LEU 30 17.400 3.813 -2.191 533 HA LEU 30 HA LEU 30 20.086 4.503 -1.373 534 HB2 LEU 30 HB2 LEU 30 17.811 3.220 0.115 535 HB3 LEU 30 HB1 LEU 30 19.344 3.680 0.834 536 HG LEU 30 HG LEU 30 17.556 5.674 -0.542 537 HD11 LEU 30 HD11 LEU 30 17.593 4.877 2.353 538 HD12 LEU 30 HD12 LEU 30 16.255 4.703 1.216 539 HD13 LEU 30 HD13 LEU 30 16.791 6.307 1.705 540 HD21 LEU 30 HD21 LEU 30 19.853 5.903 1.396 541 HD22 LEU 30 HD22 LEU 30 18.799 7.245 0.949 542 HD23 LEU 30 HD23 LEU 30 19.794 6.464 -0.277 543 H VAL 31 HN VAL 31 18.198 1.614 -2.068 544 HA VAL 31 HA VAL 31 20.389 -0.183 -1.530 545 HB VAL 31 HB VAL 31 17.908 -0.658 -3.205 546 HG11 VAL 31 HG11 VAL 31 18.355 -3.039 -2.799 547 HG12 VAL 31 HG12 VAL 31 19.853 -2.606 -1.975 548 HG13 VAL 31 HG13 VAL 31 19.663 -2.264 -3.694 549 HG21 VAL 31 HG21 VAL 31 18.424 -1.257 -0.296 550 HG22 VAL 31 HG22 VAL 31 17.017 -1.795 -1.214 551 HG23 VAL 31 HG23 VAL 31 17.286 -0.073 -0.943 552 H GLY 32 HN GLY 32 19.200 1.721 -4.151 553 HA2 GLY 32 HA2 GLY 32 20.538 0.475 -6.298 554 HA3 GLY 32 HA1 GLY 32 19.935 2.127 -6.265 555 H GLU 33 HN GLU 33 21.355 3.564 -4.702 556 HA GLU 33 HA GLU 33 24.171 2.956 -5.248 557 HB2 GLU 33 HB2 GLU 33 24.449 5.435 -5.770 558 HB3 GLU 33 HB1 GLU 33 23.667 4.447 -6.993 559 HG2 GLU 33 HG2 GLU 33 21.484 5.252 -6.252 560 HG3 GLU 33 HG1 GLU 33 22.269 6.241 -5.021 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 -23.999 -5.983 -5.821 2 H2 GLY 1 HT2 GLY 1 -22.653 -6.262 -4.840 3 H3 GLY 1 HT3 GLY 1 -22.515 -5.262 -6.198 4 HA2 GLY 1 HA1 GLY 1 -24.031 -3.666 -5.205 5 HA3 GLY 1 HA2 GLY 1 -24.149 -4.700 -3.788 6 H SER 2 HN SER 2 -23.318 -2.049 -3.649 7 HA SER 2 HA SER 2 -20.621 -1.510 -3.889 8 HB2 SER 2 HB2 SER 2 -21.107 0.157 -1.967 9 HB3 SER 2 HB1 SER 2 -22.027 0.321 -3.469 10 HG SER 2 HG SER 2 -23.624 0.296 -2.049 11 H MET 3 HN MET 3 -22.318 -3.078 -1.214 12 HA MET 3 HA MET 3 -20.383 -2.753 0.742 13 HB2 MET 3 HB2 MET 3 -22.351 -5.011 0.409 14 HB3 MET 3 HB1 MET 3 -21.409 -4.717 1.864 15 HG2 MET 3 HG2 MET 3 -22.452 -2.458 1.996 16 HG3 MET 3 HG1 MET 3 -23.499 -2.923 0.660 17 HE1 MET 3 HE1 MET 3 -23.542 -4.753 4.879 18 HE2 MET 3 HE2 MET 3 -22.507 -3.431 4.341 19 HE3 MET 3 HE3 MET 3 -22.221 -5.069 3.756 20 H LYS 4 HN LYS 4 -20.711 -5.460 -1.551 21 HA LYS 4 HA LYS 4 -18.324 -6.692 -0.433 22 HB2 LYS 4 HB2 LYS 4 -20.107 -7.576 -2.704 23 HB3 LYS 4 HB1 LYS 4 -18.797 -8.520 -2.014 24 HG2 LYS 4 HG2 LYS 4 -21.255 -7.616 -0.525 25 HG3 LYS 4 HG1 LYS 4 -21.007 -9.224 -1.206 26 HD2 LYS 4 HD2 LYS 4 -19.267 -7.945 0.904 27 HD3 LYS 4 HD1 LYS 4 -20.542 -9.123 1.219 28 HE2 LYS 4 HE2 LYS 4 -19.351 -10.757 -0.183 29 HE3 LYS 4 HE1 LYS 4 -18.066 -9.579 -0.445 30 HZ1 LYS 4 HZ1 LYS 4 -17.642 -9.576 1.939 31 HZ2 LYS 4 HZ2 LYS 4 -17.477 -11.129 1.294 32 HZ3 LYS 4 HZ3 LYS 4 -18.860 -10.723 2.175 33 H GLN 5 HN GLN 5 -19.118 -4.616 -3.024 34 HA GLN 5 HA GLN 5 -16.927 -5.501 -4.706 35 HB2 GLN 5 HB2 GLN 5 -19.061 -3.407 -5.126 36 HB3 GLN 5 HB1 GLN 5 -17.779 -3.739 -6.281 37 HG2 GLN 5 HG2 GLN 5 -18.587 -6.047 -6.491 38 HG3 GLN 5 HG1 GLN 5 -19.891 -5.679 -5.364 39 HE21 GLN 5 HE21 GLN 5 -18.638 -5.184 -8.560 40 HE22 GLN 5 HE22 GLN 5 -20.074 -4.507 -9.241 41 H LEU 6 HN LEU 6 -17.935 -2.664 -2.851 42 HA LEU 6 HA LEU 6 -15.547 -1.199 -3.432 43 HB2 LEU 6 HB2 LEU 6 -17.446 -0.834 -1.115 44 HB3 LEU 6 HB1 LEU 6 -16.262 0.328 -1.682 45 HG LEU 6 HG LEU 6 -18.802 -0.536 -3.050 46 HD11 LEU 6 HD11 LEU 6 -19.105 1.136 -1.359 47 HD12 LEU 6 HD12 LEU 6 -19.295 1.866 -2.954 48 HD13 LEU 6 HD13 LEU 6 -17.806 2.114 -2.042 49 HD21 LEU 6 HD21 LEU 6 -18.169 0.958 -4.892 50 HD22 LEU 6 HD22 LEU 6 -17.050 -0.396 -4.737 51 HD23 LEU 6 HD23 LEU 6 -16.588 1.200 -4.148 52 H GLU 7 HN GLU 7 -16.680 -3.286 -0.805 53 HA GLU 7 HA GLU 7 -14.360 -3.176 0.765 54 HB2 GLU 7 HB2 GLU 7 -16.511 -4.265 1.431 55 HB3 GLU 7 HB1 GLU 7 -16.126 -5.591 0.343 56 HG2 GLU 7 HG2 GLU 7 -15.586 -6.157 2.638 57 HG3 GLU 7 HG1 GLU 7 -14.132 -6.097 1.642 58 H ASP 8 HN ASP 8 -15.195 -5.159 -2.078 59 HA ASP 8 HA ASP 8 -12.803 -6.660 -2.109 60 HB2 ASP 8 HB2 ASP 8 -14.944 -6.103 -4.019 61 HB3 ASP 8 HB1 ASP 8 -13.376 -6.344 -4.783 62 H LYS 9 HN LYS 9 -13.486 -3.405 -3.225 63 HA LYS 9 HA LYS 9 -11.074 -3.041 -4.668 64 HB2 LYS 9 HB2 LYS 9 -12.826 -0.982 -3.314 65 HB3 LYS 9 HB1 LYS 9 -11.539 -0.621 -4.455 66 HG2 LYS 9 HG2 LYS 9 -14.048 -2.177 -5.041 67 HG3 LYS 9 HG1 LYS 9 -13.703 -0.518 -5.533 68 HD2 LYS 9 HD2 LYS 9 -11.856 -1.280 -6.911 69 HD3 LYS 9 HD1 LYS 9 -12.102 -2.938 -6.360 70 HE2 LYS 9 HE2 LYS 9 -14.078 -1.287 -7.927 71 HE3 LYS 9 HE1 LYS 9 -13.064 -2.573 -8.578 72 HZ1 LYS 9 HZ1 LYS 9 -15.321 -3.319 -8.099 73 HZ2 LYS 9 HZ2 LYS 9 -15.122 -2.930 -6.468 74 HZ3 LYS 9 HZ3 LYS 9 -14.187 -4.156 -7.166 75 H VAL 10 HN VAL 10 -12.010 -2.332 -1.325 76 HA VAL 10 HA VAL 10 -9.599 -1.196 -0.449 77 HB VAL 10 HB VAL 10 -11.183 -3.037 1.313 78 HG11 VAL 10 HG11 VAL 10 -9.820 -0.404 1.801 79 HG12 VAL 10 HG12 VAL 10 -9.168 -1.996 2.202 80 HG13 VAL 10 HG13 VAL 10 -10.614 -1.403 3.021 81 HG21 VAL 10 HG21 VAL 10 -12.811 -1.656 0.057 82 HG22 VAL 10 HG22 VAL 10 -11.999 -0.214 0.668 83 HG23 VAL 10 HG23 VAL 10 -12.793 -1.319 1.787 84 H GLU 11 HN GLU 11 -10.695 -4.567 -0.494 85 HA GLU 11 HA GLU 11 -8.350 -5.723 0.572 86 HB2 GLU 11 HB2 GLU 11 -10.457 -6.926 0.538 87 HB3 GLU 11 HB1 GLU 11 -10.523 -6.856 -1.214 88 HG2 GLU 11 HG2 GLU 11 -9.906 -9.066 -0.508 89 HG3 GLU 11 HG1 GLU 11 -8.545 -8.309 -1.331 90 H GLU 12 HN GLU 12 -9.185 -4.661 -2.645 91 HA GLU 12 HA GLU 12 -7.174 -6.111 -4.039 92 HB2 GLU 12 HB2 GLU 12 -9.319 -4.688 -4.844 93 HB3 GLU 12 HB1 GLU 12 -8.067 -3.482 -5.095 94 HG2 GLU 12 HG2 GLU 12 -8.053 -6.254 -6.269 95 HG3 GLU 12 HG1 GLU 12 -8.572 -4.798 -7.111 96 H LEU 13 HN LEU 13 -7.385 -2.830 -2.694 97 HA LEU 13 HA LEU 13 -4.685 -2.150 -3.267 98 HB2 LEU 13 HB2 LEU 13 -6.747 -1.067 -1.387 99 HB3 LEU 13 HB1 LEU 13 -5.082 -0.546 -1.240 100 HG LEU 13 HG LEU 13 -5.198 0.160 -3.663 101 HD11 LEU 13 HD11 LEU 13 -8.151 -0.223 -3.214 102 HD12 LEU 13 HD12 LEU 13 -7.141 -1.180 -4.301 103 HD13 LEU 13 HD13 LEU 13 -7.399 0.535 -4.619 104 HD21 LEU 13 HD21 LEU 13 -6.400 2.231 -3.146 105 HD22 LEU 13 HD22 LEU 13 -5.302 1.757 -1.850 106 HD23 LEU 13 HD23 LEU 13 -7.036 1.484 -1.682 107 H LEU 14 HN LEU 14 -6.304 -3.797 -0.664 108 HA LEU 14 HA LEU 14 -4.195 -3.949 1.189 109 HB2 LEU 14 HB2 LEU 14 -6.717 -4.642 1.348 110 HB3 LEU 14 HB1 LEU 14 -6.144 -6.186 0.757 111 HG LEU 14 HG LEU 14 -4.528 -6.198 2.724 112 HD11 LEU 14 HD11 LEU 14 -6.402 -4.069 3.730 113 HD12 LEU 14 HD12 LEU 14 -4.727 -3.795 3.240 114 HD13 LEU 14 HD13 LEU 14 -5.086 -4.826 4.626 115 HD21 LEU 14 HD21 LEU 14 -6.227 -7.025 4.263 116 HD22 LEU 14 HD22 LEU 14 -6.530 -7.594 2.622 117 HD23 LEU 14 HD23 LEU 14 -7.487 -6.271 3.288 118 H SER 15 HN SER 15 -4.818 -5.578 -1.780 119 HA SER 15 HA SER 15 -3.159 -7.842 -1.319 120 HB2 SER 15 HB2 SER 15 -5.036 -7.833 -2.956 121 HB3 SER 15 HB1 SER 15 -4.114 -6.717 -3.961 122 HG SER 15 HG SER 15 -2.943 -9.142 -3.150 123 H LYS 16 HN LYS 16 -2.716 -4.819 -3.222 124 HA LYS 16 HA LYS 16 0.024 -5.505 -3.688 125 HB2 LYS 16 HB2 LYS 16 0.356 -3.370 -4.679 126 HB3 LYS 16 HB1 LYS 16 -1.179 -4.001 -5.253 127 HG2 LYS 16 HG2 LYS 16 -2.406 -2.418 -4.091 128 HG3 LYS 16 HG1 LYS 16 -1.097 -2.097 -2.947 129 HD2 LYS 16 HD2 LYS 16 0.210 -1.042 -4.719 130 HD3 LYS 16 HD1 LYS 16 -1.065 -1.393 -5.885 131 HE2 LYS 16 HE2 LYS 16 -1.597 0.235 -3.426 132 HE3 LYS 16 HE1 LYS 16 -0.938 0.975 -4.884 133 HZ1 LYS 16 HZ1 LYS 16 -3.505 -0.508 -4.684 134 HZ2 LYS 16 HZ2 LYS 16 -2.869 0.149 -6.101 135 HZ3 LYS 16 HZ3 LYS 16 -3.329 1.168 -4.836 136 H ASN 17 HN ASN 17 -1.689 -3.473 -1.361 137 HA ASN 17 HA ASN 17 0.448 -2.360 0.041 138 HB2 ASN 17 HB2 ASN 17 -2.326 -3.148 0.657 139 HB3 ASN 17 HB1 ASN 17 -1.260 -3.192 2.054 140 HD21 ASN 17 HD21 ASN 17 -3.512 -1.420 1.205 141 HD22 ASN 17 HD22 ASN 17 -2.878 0.182 1.331 142 H TYR 18 HN TYR 18 -0.923 -5.635 0.190 143 HA TYR 18 HA TYR 18 0.628 -6.616 2.305 144 HB2 TYR 18 HB2 TYR 18 -1.287 -7.827 1.354 145 HB3 TYR 18 HB1 TYR 18 -0.381 -8.103 -0.129 146 HD1 TYR 18 HD1 TYR 18 -0.642 -8.988 3.437 147 HD2 TYR 18 HD2 TYR 18 1.267 -9.830 -0.266 148 HE1 TYR 18 HE1 TYR 18 0.251 -11.078 4.378 149 HE2 TYR 18 HE2 TYR 18 2.163 -11.916 0.660 150 HH TYR 18 HH TYR 18 1.070 -13.242 3.595 151 H HIS 19 HN HIS 19 1.264 -6.753 -1.191 152 HA HIS 19 HA HIS 19 3.820 -7.981 -0.901 153 HB2 HIS 19 HB2 HIS 19 2.387 -8.139 -2.947 154 HB3 HIS 19 HB1 HIS 19 2.735 -6.445 -3.273 155 HD1 HIS 19 HD1 HIS 19 4.113 -9.848 -3.628 156 HD2 HIS 19 HD2 HIS 19 5.447 -5.937 -4.066 157 HE1 HIS 19 HE1 HIS 19 6.266 -10.009 -4.915 158 HE2 HIS 19 HE2 HIS 19 6.995 -7.623 -5.268 159 H LEU 20 HN LEU 20 2.718 -4.673 -1.474 160 HA LEU 20 HA LEU 20 5.235 -3.517 -1.830 161 HB2 LEU 20 HB2 LEU 20 3.365 -2.436 -2.718 162 HB3 LEU 20 HB1 LEU 20 2.465 -2.553 -1.227 163 HG LEU 20 HG LEU 20 3.640 -0.790 -0.262 164 HD11 LEU 20 HD11 LEU 20 5.878 -1.348 -1.089 165 HD12 LEU 20 HD12 LEU 20 5.493 0.358 -1.334 166 HD13 LEU 20 HD13 LEU 20 5.416 -0.771 -2.690 167 HD21 LEU 20 HD21 LEU 20 3.356 1.038 -1.953 168 HD22 LEU 20 HD22 LEU 20 1.937 0.020 -1.671 169 HD23 LEU 20 HD23 LEU 20 2.929 -0.221 -3.111 170 H GLU 21 HN GLU 21 3.304 -4.077 1.116 171 HA GLU 21 HA GLU 21 5.010 -2.614 2.849 172 HB2 GLU 21 HB2 GLU 21 3.013 -4.813 3.279 173 HB3 GLU 21 HB1 GLU 21 4.060 -4.309 4.597 174 HG2 GLU 21 HG2 GLU 21 3.205 -2.047 4.434 175 HG3 GLU 21 HG1 GLU 21 2.203 -2.510 3.061 176 H ASN 22 HN ASN 22 5.052 -5.895 1.614 177 HA ASN 22 HA ASN 22 7.276 -6.740 3.212 178 HB2 ASN 22 HB2 ASN 22 5.930 -7.884 0.767 179 HB3 ASN 22 HB1 ASN 22 7.381 -8.608 1.445 180 HD21 ASN 22 HD21 ASN 22 4.944 -7.109 3.440 181 HD22 ASN 22 HD22 ASN 22 4.353 -8.568 4.151 182 H GLU 23 HN GLU 23 6.826 -5.206 0.125 183 HA GLU 23 HA GLU 23 9.380 -5.577 -0.967 184 HB2 GLU 23 HB2 GLU 23 7.371 -4.732 -2.195 185 HB3 GLU 23 HB1 GLU 23 7.553 -3.199 -1.354 186 HG2 GLU 23 HG2 GLU 23 8.475 -3.035 -3.568 187 HG3 GLU 23 HG1 GLU 23 9.770 -2.921 -2.376 188 H VAL 24 HN VAL 24 8.065 -2.921 1.013 189 HA VAL 24 HA VAL 24 10.438 -1.432 1.171 190 HB VAL 24 HB VAL 24 8.074 -1.606 3.082 191 HG11 VAL 24 HG11 VAL 24 10.153 -1.034 4.341 192 HG12 VAL 24 HG12 VAL 24 8.996 0.296 4.276 193 HG13 VAL 24 HG13 VAL 24 10.413 0.309 3.223 194 HG21 VAL 24 HG21 VAL 24 7.648 -0.529 0.979 195 HG22 VAL 24 HG22 VAL 24 9.070 0.496 1.178 196 HG23 VAL 24 HG23 VAL 24 7.695 0.673 2.269 197 H ALA 25 HN ALA 25 9.174 -4.066 3.164 198 HA ALA 25 HA ALA 25 11.044 -4.041 5.224 199 HB1 ALA 25 HB1 ALA 25 10.389 -6.352 5.638 200 HB2 ALA 25 HB2 ALA 25 9.657 -6.445 4.036 201 HB3 ALA 25 HB3 ALA 25 8.974 -5.369 5.255 202 H ARG 26 HN ARG 26 11.146 -5.776 2.120 203 HA ARG 26 HA ARG 26 13.588 -7.102 2.543 204 HB2 ARG 26 HB2 ARG 26 12.392 -6.128 -0.060 205 HB3 ARG 26 HB1 ARG 26 13.715 -7.277 0.078 206 HG2 ARG 26 HG2 ARG 26 12.169 -8.782 1.336 207 HG3 ARG 26 HG1 ARG 26 10.861 -7.662 0.947 208 HD2 ARG 26 HD2 ARG 26 10.853 -9.453 -0.659 209 HD3 ARG 26 HD1 ARG 26 11.376 -7.972 -1.459 210 HE ARG 26 HE ARG 26 13.648 -9.342 -0.562 211 HH11 ARG 26 HH11 ARG 26 11.113 -9.674 -2.945 212 HH12 ARG 26 HH12 ARG 26 12.070 -10.647 -4.015 213 HH21 ARG 26 HH21 ARG 26 14.915 -10.616 -1.970 214 HH22 ARG 26 HH22 ARG 26 14.232 -11.180 -3.463 215 H LEU 27 HN LEU 27 12.890 -4.042 0.890 216 HA LEU 27 HA LEU 27 15.511 -3.332 0.247 217 HB2 LEU 27 HB2 LEU 27 12.932 -1.917 0.553 218 HB3 LEU 27 HB1 LEU 27 14.374 -0.930 0.590 219 HG LEU 27 HG LEU 27 14.944 -1.473 -1.636 220 HD11 LEU 27 HD11 LEU 27 13.792 -3.142 -2.970 221 HD12 LEU 27 HD12 LEU 27 12.798 -3.587 -1.582 222 HD13 LEU 27 HD13 LEU 27 14.537 -3.882 -1.553 223 HD21 LEU 27 HD21 LEU 27 13.141 0.122 -1.463 224 HD22 LEU 27 HD22 LEU 27 11.956 -1.184 -1.438 225 HD23 LEU 27 HD23 LEU 27 12.916 -0.892 -2.886 226 H LYS 28 HN LYS 28 13.646 -2.772 3.197 227 HA LYS 28 HA LYS 28 15.450 -1.055 4.485 228 HB2 LYS 28 HB2 LYS 28 13.353 -2.952 5.495 229 HB3 LYS 28 HB1 LYS 28 14.402 -2.104 6.621 230 HG2 LYS 28 HG2 LYS 28 12.571 -0.826 4.602 231 HG3 LYS 28 HG1 LYS 28 12.291 -0.944 6.339 232 HD2 LYS 28 HD2 LYS 28 14.392 0.356 6.694 233 HD3 LYS 28 HD1 LYS 28 14.486 0.588 4.948 234 HE2 LYS 28 HE2 LYS 28 13.488 2.537 5.889 235 HE3 LYS 28 HE1 LYS 28 12.229 1.645 5.041 236 HZ1 LYS 28 HZ1 LYS 28 11.510 0.740 7.175 237 HZ2 LYS 28 HZ2 LYS 28 11.444 2.428 7.169 238 HZ3 LYS 28 HZ3 LYS 28 12.702 1.638 7.971 239 H LYS 29 HN LYS 29 15.523 -4.510 4.012 240 HA LYS 29 HA LYS 29 17.511 -4.993 6.036 241 HB2 LYS 29 HB2 LYS 29 15.950 -6.762 5.313 242 HB3 LYS 29 HB1 LYS 29 16.668 -6.729 3.708 243 HG2 LYS 29 HG2 LYS 29 18.803 -7.448 4.629 244 HG3 LYS 29 HG1 LYS 29 18.104 -7.453 6.253 245 HD2 LYS 29 HD2 LYS 29 16.500 -9.172 5.540 246 HD3 LYS 29 HD1 LYS 29 17.242 -9.182 3.931 247 HE2 LYS 29 HE2 LYS 29 18.079 -11.029 5.289 248 HE3 LYS 29 HE1 LYS 29 19.367 -9.885 4.918 249 HZ1 LYS 29 HZ1 LYS 29 19.101 -8.931 7.124 250 HZ2 LYS 29 HZ2 LYS 29 19.446 -10.580 7.225 251 HZ3 LYS 29 HZ3 LYS 29 17.867 -10.031 7.478 252 H LEU 30 HN LEU 30 17.482 -4.343 2.603 253 HA LEU 30 HA LEU 30 20.234 -4.943 2.159 254 HB2 LEU 30 HB2 LEU 30 18.122 -3.519 0.580 255 HB3 LEU 30 HB1 LEU 30 19.797 -3.441 0.071 256 HG LEU 30 HG LEU 30 19.829 -5.928 -0.058 257 HD11 LEU 30 HD11 LEU 30 17.723 -7.148 -0.065 258 HD12 LEU 30 HD12 LEU 30 16.866 -5.682 0.411 259 HD13 LEU 30 HD13 LEU 30 18.034 -6.418 1.508 260 HD21 LEU 30 HD21 LEU 30 17.736 -4.531 -1.716 261 HD22 LEU 30 HD22 LEU 30 18.497 -6.071 -2.113 262 HD23 LEU 30 HD23 LEU 30 19.465 -4.601 -2.051 263 H VAL 31 HN VAL 31 18.407 -1.948 2.684 264 HA VAL 31 HA VAL 31 20.742 -0.286 2.781 265 HB VAL 31 HB VAL 31 18.001 0.232 3.964 266 HG11 VAL 31 HG11 VAL 31 20.222 2.138 3.232 267 HG12 VAL 31 HG12 VAL 31 19.715 1.708 4.866 268 HG13 VAL 31 HG13 VAL 31 18.620 2.597 3.808 269 HG21 VAL 31 HG21 VAL 31 17.550 1.492 1.905 270 HG22 VAL 31 HG22 VAL 31 17.825 -0.221 1.587 271 HG23 VAL 31 HG23 VAL 31 19.096 0.955 1.250 272 H GLY 32 HN GLY 32 19.032 -2.325 4.948 273 HA2 GLY 32 HA2 GLY 32 19.859 -1.197 7.411 274 HA3 GLY 32 HA1 GLY 32 19.193 -2.806 7.161 275 H GLU 33 HN GLU 33 21.297 -3.509 5.242 276 HA GLU 33 HA GLU 33 23.310 -4.538 5.180 277 HB2 GLU 33 HB2 GLU 33 24.159 -2.248 5.714 278 HB3 GLU 33 HB1 GLU 33 24.114 -2.670 7.419 279 HG2 GLU 33 HG2 GLU 33 25.709 -4.506 6.956 280 HG3 GLU 33 HG1 GLU 33 25.814 -3.945 5.290 281 H1 GLY 1 HT1 GLY 1 -24.160 6.121 4.804 282 H2 GLY 1 HT2 GLY 1 -22.771 6.380 3.877 283 H3 GLY 1 HT3 GLY 1 -22.699 5.391 5.247 284 HA2 GLY 1 HA1 GLY 1 -24.182 3.798 4.203 285 HA3 GLY 1 HA2 GLY 1 -24.233 4.822 2.777 286 H SER 2 HN SER 2 -23.426 2.179 2.642 287 HA SER 2 HA SER 2 -20.738 1.619 3.011 288 HB2 SER 2 HB2 SER 2 -21.139 -0.054 1.087 289 HB3 SER 2 HB1 SER 2 -22.150 -0.202 2.533 290 HG SER 2 HG SER 2 -23.682 -0.136 1.064 291 H MET 3 HN MET 3 -22.314 3.189 0.267 292 HA MET 3 HA MET 3 -20.305 2.857 -1.609 293 HB2 MET 3 HB2 MET 3 -22.267 5.128 -1.347 294 HB3 MET 3 HB1 MET 3 -21.272 4.829 -2.765 295 HG2 MET 3 HG2 MET 3 -22.326 2.577 -2.937 296 HG3 MET 3 HG1 MET 3 -23.422 3.052 -1.643 297 HE1 MET 3 HE1 MET 3 -23.284 4.877 -5.866 298 HE2 MET 3 HE2 MET 3 -22.283 3.544 -5.285 299 HE3 MET 3 HE3 MET 3 -22.007 5.179 -4.687 300 H LYS 4 HN LYS 4 -20.708 5.568 0.667 301 HA LYS 4 HA LYS 4 -18.265 6.781 -0.343 302 HB2 LYS 4 HB2 LYS 4 -20.138 7.675 1.853 303 HB3 LYS 4 HB1 LYS 4 -18.793 8.612 1.222 304 HG2 LYS 4 HG2 LYS 4 -21.193 7.729 -0.371 305 HG3 LYS 4 HG1 LYS 4 -20.960 9.334 0.322 306 HD2 LYS 4 HD2 LYS 4 -19.146 8.043 -1.719 307 HD3 LYS 4 HD1 LYS 4 -20.397 9.231 -2.082 308 HE2 LYS 4 HE2 LYS 4 -19.254 10.853 -0.628 309 HE3 LYS 4 HE1 LYS 4 -17.989 9.665 -0.319 310 HZ1 LYS 4 HZ1 LYS 4 -17.470 9.667 -2.684 311 HZ2 LYS 4 HZ2 LYS 4 -17.317 11.216 -2.026 312 HZ3 LYS 4 HZ3 LYS 4 -18.667 10.829 -2.964 313 H GLN 5 HN GLN 5 -19.180 4.709 2.211 314 HA GLN 5 HA GLN 5 -17.054 5.578 3.983 315 HB2 GLN 5 HB2 GLN 5 -19.216 3.495 4.314 316 HB3 GLN 5 HB1 GLN 5 -17.978 3.820 5.520 317 HG2 GLN 5 HG2 GLN 5 -18.776 6.130 5.700 318 HG3 GLN 5 HG1 GLN 5 -20.038 5.773 4.520 319 HE21 GLN 5 HE21 GLN 5 -18.913 5.258 7.756 320 HE22 GLN 5 HE22 GLN 5 -20.386 4.604 8.384 321 H LEU 6 HN LEU 6 -18.004 2.755 2.079 322 HA LEU 6 HA LEU 6 -15.657 1.267 2.764 323 HB2 LEU 6 HB2 LEU 6 -17.460 0.915 0.372 324 HB3 LEU 6 HB1 LEU 6 -16.309 -0.255 0.985 325 HG LEU 6 HG LEU 6 -18.897 0.625 2.249 326 HD11 LEU 6 HD11 LEU 6 -19.142 -1.049 0.550 327 HD12 LEU 6 HD12 LEU 6 -19.400 -1.774 2.137 328 HD13 LEU 6 HD13 LEU 6 -17.877 -2.033 1.286 329 HD21 LEU 6 HD21 LEU 6 -18.348 -0.872 4.115 330 HD22 LEU 6 HD22 LEU 6 -17.218 0.476 4.008 331 HD23 LEU 6 HD23 LEU 6 -16.740 -1.122 3.436 332 H GLU 7 HN GLU 7 -16.664 3.363 0.096 333 HA GLU 7 HA GLU 7 -14.285 3.231 -1.385 334 HB2 GLU 7 HB2 GLU 7 -16.398 4.339 -2.133 335 HB3 GLU 7 HB1 GLU 7 -16.047 5.661 -1.030 336 HG2 GLU 7 HG2 GLU 7 -15.412 6.216 -3.304 337 HG3 GLU 7 HG1 GLU 7 -14.000 6.154 -2.250 338 H ASP 8 HN ASP 8 -15.216 5.220 1.423 339 HA ASP 8 HA ASP 8 -12.818 6.706 1.548 340 HB2 ASP 8 HB2 ASP 8 -15.040 6.165 3.367 341 HB3 ASP 8 HB1 ASP 8 -13.503 6.407 4.193 342 H LYS 9 HN LYS 9 -13.571 3.457 2.635 343 HA LYS 9 HA LYS 9 -11.221 3.076 4.175 344 HB2 LYS 9 HB2 LYS 9 -12.932 1.028 2.751 345 HB3 LYS 9 HB1 LYS 9 -11.694 0.659 3.943 346 HG2 LYS 9 HG2 LYS 9 -14.214 2.232 4.429 347 HG3 LYS 9 HG1 LYS 9 -13.902 0.571 4.934 348 HD2 LYS 9 HD2 LYS 9 -12.109 1.318 6.385 349 HD3 LYS 9 HD1 LYS 9 -12.317 2.978 5.826 350 HE2 LYS 9 HE2 LYS 9 -14.372 1.345 7.305 351 HE3 LYS 9 HE1 LYS 9 -13.373 2.615 8.004 352 HZ1 LYS 9 HZ1 LYS 9 -15.606 3.386 7.433 353 HZ2 LYS 9 HZ2 LYS 9 -15.332 3.009 5.809 354 HZ3 LYS 9 HZ3 LYS 9 -14.420 4.216 6.560 355 H VAL 10 HN VAL 10 -12.027 2.374 0.798 356 HA VAL 10 HA VAL 10 -9.591 1.222 0.021 357 HB VAL 10 HB VAL 10 -11.088 3.076 -1.799 358 HG11 VAL 10 HG11 VAL 10 -9.729 0.432 -2.237 359 HG12 VAL 10 HG12 VAL 10 -9.048 2.019 -2.609 360 HG13 VAL 10 HG13 VAL 10 -10.465 1.438 -3.487 361 HG21 VAL 10 HG21 VAL 10 -12.777 1.709 -0.612 362 HG22 VAL 10 HG22 VAL 10 -11.952 0.259 -1.189 363 HG23 VAL 10 HG23 VAL 10 -12.691 1.370 -2.339 364 H GLU 11 HN GLU 11 -10.663 4.601 0.026 365 HA GLU 11 HA GLU 11 -8.270 5.741 -0.949 366 HB2 GLU 11 HB2 GLU 11 -10.368 6.955 -0.991 367 HB3 GLU 11 HB1 GLU 11 -10.500 6.883 0.757 368 HG2 GLU 11 HG2 GLU 11 -9.841 9.090 0.068 369 HG3 GLU 11 HG1 GLU 11 -8.525 8.324 0.954 370 H GLU 12 HN GLU 12 -9.242 4.695 2.236 371 HA GLU 12 HA GLU 12 -7.276 6.118 3.709 372 HB2 GLU 12 HB2 GLU 12 -9.465 4.713 4.423 373 HB3 GLU 12 HB1 GLU 12 -8.236 3.495 4.723 374 HG2 GLU 12 HG2 GLU 12 -8.249 6.265 5.902 375 HG3 GLU 12 HG1 GLU 12 -8.809 4.810 6.720 376 H LEU 13 HN LEU 13 -7.458 2.836 2.354 377 HA LEU 13 HA LEU 13 -4.787 2.138 3.035 378 HB2 LEU 13 HB2 LEU 13 -6.777 1.074 1.069 379 HB3 LEU 13 HB1 LEU 13 -5.111 0.538 0.991 380 HG LEU 13 HG LEU 13 -5.337 -0.166 3.407 381 HD11 LEU 13 HD11 LEU 13 -8.265 0.238 2.836 382 HD12 LEU 13 HD12 LEU 13 -7.293 1.186 3.965 383 HD13 LEU 13 HD13 LEU 13 -7.576 -0.529 4.268 384 HD21 LEU 13 HD21 LEU 13 -6.527 -2.228 2.839 385 HD22 LEU 13 HD22 LEU 13 -5.375 -1.761 1.590 386 HD23 LEU 13 HD23 LEU 13 -7.099 -1.478 1.350 387 H LEU 14 HN LEU 14 -6.288 3.800 0.374 388 HA LEU 14 HA LEU 14 -4.109 3.933 -1.399 389 HB2 LEU 14 HB2 LEU 14 -6.615 4.646 -1.656 390 HB3 LEU 14 HB1 LEU 14 -6.055 6.186 -1.042 391 HG LEU 14 HG LEU 14 -4.364 6.187 -2.944 392 HD11 LEU 14 HD11 LEU 14 -6.214 4.075 -4.023 393 HD12 LEU 14 HD12 LEU 14 -4.564 3.784 -3.465 394 HD13 LEU 14 HD13 LEU 14 -4.853 4.818 -4.864 395 HD21 LEU 14 HD21 LEU 14 -5.991 7.029 -4.548 396 HD22 LEU 14 HD22 LEU 14 -6.357 7.596 -2.919 397 HD23 LEU 14 HD23 LEU 14 -7.298 6.283 -3.627 398 H SER 15 HN SER 15 -4.836 5.573 1.539 399 HA SER 15 HA SER 15 -3.143 7.821 1.150 400 HB2 SER 15 HB2 SER 15 -5.096 7.803 2.708 401 HB3 SER 15 HB1 SER 15 -4.201 6.706 3.757 402 HG SER 15 HG SER 15 -2.945 9.077 2.986 403 H LYS 16 HN LYS 16 -2.799 4.799 3.076 404 HA LYS 16 HA LYS 16 -0.074 5.459 3.646 405 HB2 LYS 16 HB2 LYS 16 0.200 3.323 4.651 406 HB3 LYS 16 HB1 LYS 16 -1.353 3.966 5.162 407 HG2 LYS 16 HG2 LYS 16 -2.542 2.389 3.950 408 HG3 LYS 16 HG1 LYS 16 -1.190 2.061 2.859 409 HD2 LYS 16 HD2 LYS 16 0.037 0.993 4.676 410 HD3 LYS 16 HD1 LYS 16 -1.276 1.355 5.795 411 HE2 LYS 16 HE2 LYS 16 -1.734 -0.267 3.315 412 HE3 LYS 16 HE1 LYS 16 -1.134 -1.014 4.795 413 HZ1 LYS 16 HZ1 LYS 16 -3.677 0.494 4.511 414 HZ2 LYS 16 HZ2 LYS 16 -3.098 -0.178 5.944 415 HZ3 LYS 16 HZ3 LYS 16 -3.523 -1.185 4.659 416 H ASN 17 HN ASN 17 -1.706 3.434 1.256 417 HA ASN 17 HA ASN 17 0.476 2.312 -0.064 418 HB2 ASN 17 HB2 ASN 17 -2.265 3.122 -0.793 419 HB3 ASN 17 HB1 ASN 17 -1.140 3.153 -2.145 420 HD21 ASN 17 HD21 ASN 17 -3.441 1.403 -1.395 421 HD22 ASN 17 HD22 ASN 17 -2.815 -0.205 -1.490 422 H TYR 18 HN TYR 18 -0.856 5.599 -0.251 423 HA TYR 18 HA TYR 18 0.779 6.568 -2.315 424 HB2 TYR 18 HB2 TYR 18 -1.166 7.793 -1.436 425 HB3 TYR 18 HB1 TYR 18 -0.316 8.061 0.080 426 HD1 TYR 18 HD1 TYR 18 -0.427 8.946 -3.495 427 HD2 TYR 18 HD2 TYR 18 1.329 9.786 0.288 428 HE1 TYR 18 HE1 TYR 18 0.520 11.027 -4.401 429 HE2 TYR 18 HE2 TYR 18 2.278 11.866 -0.610 430 HH TYR 18 HH TYR 18 1.320 13.201 -3.569 431 H HIS 19 HN HIS 19 1.271 6.716 1.203 432 HA HIS 19 HA HIS 19 3.851 7.911 1.017 433 HB2 HIS 19 HB2 HIS 19 2.333 8.073 3.006 434 HB3 HIS 19 HB1 HIS 19 2.660 6.378 3.342 435 HD1 HIS 19 HD1 HIS 19 4.052 9.777 3.744 436 HD2 HIS 19 HD2 HIS 19 5.326 5.852 4.254 437 HE1 HIS 19 HE1 HIS 19 6.148 9.920 5.127 438 HE2 HIS 19 HE2 HIS 19 6.853 7.529 5.498 439 H LEU 20 HN LEU 20 2.697 4.608 1.539 440 HA LEU 20 HA LEU 20 5.190 3.433 1.999 441 HB2 LEU 20 HB2 LEU 20 3.276 2.367 2.811 442 HB3 LEU 20 HB1 LEU 20 2.440 2.490 1.284 443 HG LEU 20 HG LEU 20 3.638 0.718 0.368 444 HD11 LEU 20 HD11 LEU 20 5.846 1.259 1.282 445 HD12 LEU 20 HD12 LEU 20 5.437 -0.444 1.510 446 HD13 LEU 20 HD13 LEU 20 5.315 0.684 2.863 447 HD21 LEU 20 HD21 LEU 20 3.273 -1.108 2.042 448 HD22 LEU 20 HD22 LEU 20 1.874 -0.078 1.707 449 HD23 LEU 20 HD23 LEU 20 2.811 0.152 3.185 450 H GLU 21 HN GLU 21 3.380 4.005 -1.024 451 HA GLU 21 HA GLU 21 5.146 2.532 -2.682 452 HB2 GLU 21 HB2 GLU 21 3.188 4.746 -3.200 453 HB3 GLU 21 HB1 GLU 21 4.286 4.229 -4.472 454 HG2 GLU 21 HG2 GLU 21 3.405 1.974 -4.338 455 HG3 GLU 21 HG1 GLU 21 2.349 2.451 -3.011 456 H ASN 22 HN ASN 22 5.165 5.817 -1.448 457 HA ASN 22 HA ASN 22 7.460 6.639 -2.956 458 HB2 ASN 22 HB2 ASN 22 6.030 7.798 -0.565 459 HB3 ASN 22 HB1 ASN 22 7.511 8.510 -1.191 460 HD21 ASN 22 HD21 ASN 22 5.136 7.024 -3.274 461 HD22 ASN 22 HD22 ASN 22 4.573 8.487 -3.999 462 H GLU 23 HN GLU 23 6.875 5.115 0.112 463 HA GLU 23 HA GLU 23 9.388 5.461 1.304 464 HB2 GLU 23 HB2 GLU 23 7.323 4.636 2.446 465 HB3 GLU 23 HB1 GLU 23 7.526 3.100 1.616 466 HG2 GLU 23 HG2 GLU 23 8.358 2.934 3.864 467 HG3 GLU 23 HG1 GLU 23 9.698 2.809 2.726 468 H VAL 24 HN VAL 24 8.130 2.816 -0.729 469 HA VAL 24 HA VAL 24 10.497 1.312 -0.797 470 HB VAL 24 HB VAL 24 8.212 1.504 -2.796 471 HG11 VAL 24 HG11 VAL 24 10.335 0.918 -3.973 472 HG12 VAL 24 HG12 VAL 24 9.166 -0.404 -3.956 473 HG13 VAL 24 HG13 VAL 24 10.540 -0.429 -2.847 474 HG21 VAL 24 HG21 VAL 24 7.690 0.428 -0.715 475 HG22 VAL 24 HG22 VAL 24 9.111 -0.609 -0.854 476 HG23 VAL 24 HG23 VAL 24 7.781 -0.774 -2.001 477 H ALA 25 HN ALA 25 9.335 3.964 -2.826 478 HA ALA 25 HA ALA 25 11.281 3.921 -4.816 479 HB1 ALA 25 HB1 ALA 25 10.662 6.236 -5.254 480 HB2 ALA 25 HB2 ALA 25 9.873 6.337 -3.680 481 HB3 ALA 25 HB3 ALA 25 9.225 5.267 -4.922 482 H ARG 26 HN ARG 26 11.272 5.665 -1.714 483 HA ARG 26 HA ARG 26 13.745 6.959 -2.030 484 HB2 ARG 26 HB2 ARG 26 12.437 5.992 0.521 485 HB3 ARG 26 HB1 ARG 26 13.773 7.132 0.436 486 HG2 ARG 26 HG2 ARG 26 12.288 8.649 -0.880 487 HG3 ARG 26 HG1 ARG 26 10.959 7.537 -0.544 488 HD2 ARG 26 HD2 ARG 26 10.902 9.326 1.063 489 HD3 ARG 26 HD1 ARG 26 11.385 7.841 1.879 490 HE ARG 26 HE ARG 26 13.699 9.197 1.070 491 HH11 ARG 26 HH11 ARG 26 11.071 9.546 3.355 492 HH12 ARG 26 HH12 ARG 26 11.994 10.505 4.465 493 HH21 ARG 26 HH21 ARG 26 14.920 10.457 2.528 494 HH22 ARG 26 HH22 ARG 26 14.184 11.024 3.994 495 H LEU 27 HN LEU 27 12.954 3.906 -0.406 496 HA LEU 27 HA LEU 27 15.541 3.174 0.338 497 HB2 LEU 27 HB2 LEU 27 12.967 1.777 -0.075 498 HB3 LEU 27 HB1 LEU 27 14.403 0.780 -0.053 499 HG LEU 27 HG LEU 27 14.885 1.320 2.195 500 HD11 LEU 27 HD11 LEU 27 13.696 2.997 3.483 501 HD12 LEU 27 HD12 LEU 27 12.756 3.448 2.059 502 HD13 LEU 27 HD13 LEU 27 14.496 3.731 2.095 503 HD21 LEU 27 HD21 LEU 27 13.081 -0.264 1.949 504 HD22 LEU 27 HD22 LEU 27 11.907 1.048 1.877 505 HD23 LEU 27 HD23 LEU 27 12.806 0.750 3.362 506 H LYS 28 HN LYS 28 13.792 2.626 -2.684 507 HA LYS 28 HA LYS 28 15.635 0.897 -3.900 508 HB2 LYS 28 HB2 LYS 28 13.592 2.809 -4.990 509 HB3 LYS 28 HB1 LYS 28 14.677 1.954 -6.075 510 HG2 LYS 28 HG2 LYS 28 12.762 0.686 -4.129 511 HG3 LYS 28 HG1 LYS 28 12.550 0.805 -5.875 512 HD2 LYS 28 HD2 LYS 28 14.660 -0.504 -6.146 513 HD3 LYS 28 HD1 LYS 28 14.676 -0.742 -4.399 514 HE2 LYS 28 HE2 LYS 28 13.709 -2.683 -5.394 515 HE3 LYS 28 HE1 LYS 28 12.421 -1.788 -4.592 516 HZ1 LYS 28 HZ1 LYS 28 11.802 -0.860 -6.753 517 HZ2 LYS 28 HZ2 LYS 28 11.716 -2.549 -6.758 518 HZ3 LYS 28 HZ3 LYS 28 13.016 -1.769 -7.502 519 H LYS 29 HN LYS 29 15.719 4.351 -3.421 520 HA LYS 29 HA LYS 29 17.784 4.817 -5.370 521 HB2 LYS 29 HB2 LYS 29 16.214 6.600 -4.708 522 HB3 LYS 29 HB1 LYS 29 16.866 6.560 -3.075 523 HG2 LYS 29 HG2 LYS 29 19.043 7.264 -3.908 524 HG3 LYS 29 HG1 LYS 29 18.412 7.274 -5.558 525 HD2 LYS 29 HD2 LYS 29 16.796 9.007 -4.917 526 HD3 LYS 29 HD1 LYS 29 17.463 9.009 -3.276 527 HE2 LYS 29 HE2 LYS 29 18.376 10.849 -4.590 528 HE3 LYS 29 HE1 LYS 29 19.636 9.692 -4.165 529 HZ1 LYS 29 HZ1 LYS 29 19.456 8.744 -6.386 530 HZ2 LYS 29 HZ2 LYS 29 19.826 10.391 -6.466 531 HZ3 LYS 29 HZ3 LYS 29 18.254 9.862 -6.788 532 H LEU 30 HN LEU 30 17.617 4.176 -1.938 533 HA LEU 30 HA LEU 30 20.351 4.750 -1.384 534 HB2 LEU 30 HB2 LEU 30 18.166 3.340 0.109 535 HB3 LEU 30 HB1 LEU 30 19.818 3.253 0.686 536 HG LEU 30 HG LEU 30 19.859 5.738 0.816 537 HD11 LEU 30 HD11 LEU 30 17.764 6.972 0.738 538 HD12 LEU 30 HD12 LEU 30 16.916 5.513 0.227 539 HD13 LEU 30 HD13 LEU 30 18.132 6.239 -0.822 540 HD21 LEU 30 HD21 LEU 30 17.690 4.359 2.387 541 HD22 LEU 30 HD22 LEU 30 18.449 5.892 2.817 542 HD23 LEU 30 HD23 LEU 30 19.406 4.412 2.790 543 H VAL 31 HN VAL 31 18.531 1.769 -1.983 544 HA VAL 31 HA VAL 31 20.853 0.089 -1.990 545 HB VAL 31 HB VAL 31 18.155 -0.411 -3.276 546 HG11 VAL 31 HG11 VAL 31 20.330 -2.332 -2.458 547 HG12 VAL 31 HG12 VAL 31 19.891 -1.898 -4.109 548 HG13 VAL 31 HG13 VAL 31 18.749 -2.780 -3.096 549 HG21 VAL 31 HG21 VAL 31 17.612 -1.662 -1.235 550 HG22 VAL 31 HG22 VAL 31 17.886 0.049 -0.909 551 HG23 VAL 31 HG23 VAL 31 19.134 -1.134 -0.518 552 H GLY 32 HN GLY 32 19.258 2.155 -4.214 553 HA2 GLY 32 HA2 GLY 32 20.169 1.011 -6.646 554 HA3 GLY 32 HA1 GLY 32 19.501 2.623 -6.427 555 H GLU 33 HN GLU 33 21.521 3.320 -4.416 556 HA GLU 33 HA GLU 33 23.539 4.333 -4.270 557 HB2 GLU 33 HB2 GLU 33 24.393 2.037 -4.775 558 HB3 GLU 33 HB1 GLU 33 24.412 2.459 -6.481 559 HG2 GLU 33 HG2 GLU 33 26.011 4.276 -5.967 560 HG3 GLU 33 HG1 GLU 33 26.046 3.724 -4.294 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 -26.670 -6.057 -4.826 2 H2 GLY 1 HT2 GLY 1 -25.605 -5.414 -5.965 3 H3 GLY 1 HT3 GLY 1 -26.196 -4.440 -4.717 4 HA2 GLY 1 HA1 GLY 1 -25.038 -5.773 -3.082 5 HA3 GLY 1 HA2 GLY 1 -24.431 -6.795 -4.375 6 H SER 2 HN SER 2 -23.804 -4.125 -2.456 7 HA SER 2 HA SER 2 -21.741 -3.167 -4.324 8 HB2 SER 2 HB2 SER 2 -21.819 -1.100 -2.744 9 HB3 SER 2 HB1 SER 2 -23.120 -1.319 -3.921 10 HG SER 2 HG SER 2 -23.838 -0.830 -1.753 11 H MET 3 HN MET 3 -22.392 -4.357 -1.112 12 HA MET 3 HA MET 3 -20.158 -3.459 0.250 13 HB2 MET 3 HB2 MET 3 -21.709 -6.020 0.597 14 HB3 MET 3 HB1 MET 3 -20.484 -5.460 1.725 15 HG2 MET 3 HG2 MET 3 -23.038 -4.039 1.017 16 HG3 MET 3 HG1 MET 3 -22.695 -4.900 2.515 17 HE1 MET 3 HE1 MET 3 -19.910 -2.652 4.118 18 HE2 MET 3 HE2 MET 3 -19.652 -4.039 3.062 19 HE3 MET 3 HE3 MET 3 -20.902 -4.097 4.305 20 H LYS 4 HN LYS 4 -20.503 -6.583 -1.442 21 HA LYS 4 HA LYS 4 -17.827 -7.369 -0.843 22 HB2 LYS 4 HB2 LYS 4 -19.977 -8.481 -2.612 23 HB3 LYS 4 HB1 LYS 4 -18.345 -9.120 -2.697 24 HG2 LYS 4 HG2 LYS 4 -19.588 -10.523 -1.249 25 HG3 LYS 4 HG1 LYS 4 -18.482 -9.587 -0.249 26 HD2 LYS 4 HD2 LYS 4 -20.294 -8.074 0.359 27 HD3 LYS 4 HD1 LYS 4 -21.404 -8.970 -0.680 28 HE2 LYS 4 HE2 LYS 4 -21.710 -9.633 1.628 29 HE3 LYS 4 HE1 LYS 4 -21.049 -10.974 0.698 30 HZ1 LYS 4 HZ1 LYS 4 -18.847 -10.400 1.564 31 HZ2 LYS 4 HZ2 LYS 4 -19.928 -10.792 2.802 32 HZ3 LYS 4 HZ3 LYS 4 -19.533 -9.178 2.507 33 H GLN 5 HN GLN 5 -19.019 -5.187 -3.042 34 HA GLN 5 HA GLN 5 -17.017 -5.737 -5.101 35 HB2 GLN 5 HB2 GLN 5 -19.279 -3.728 -5.095 36 HB3 GLN 5 HB1 GLN 5 -18.217 -4.079 -6.449 37 HG2 GLN 5 HG2 GLN 5 -20.099 -6.058 -5.187 38 HG3 GLN 5 HG1 GLN 5 -20.444 -5.117 -6.633 39 HE21 GLN 5 HE21 GLN 5 -20.686 -6.900 -7.926 40 HE22 GLN 5 HE22 GLN 5 -19.364 -7.903 -8.405 41 H LEU 6 HN LEU 6 -18.156 -3.250 -2.886 42 HA LEU 6 HA LEU 6 -16.008 -1.451 -3.349 43 HB2 LEU 6 HB2 LEU 6 -18.042 -1.813 -1.181 44 HB3 LEU 6 HB1 LEU 6 -16.674 -0.765 -0.892 45 HG LEU 6 HG LEU 6 -18.730 0.439 -1.590 46 HD11 LEU 6 HD11 LEU 6 -16.446 1.348 -1.986 47 HD12 LEU 6 HD12 LEU 6 -17.669 1.941 -3.107 48 HD13 LEU 6 HD13 LEU 6 -16.525 0.709 -3.628 49 HD21 LEU 6 HD21 LEU 6 -19.643 -1.211 -3.126 50 HD22 LEU 6 HD22 LEU 6 -18.290 -0.954 -4.227 51 HD23 LEU 6 HD23 LEU 6 -19.441 0.348 -3.924 52 H GLU 7 HN GLU 7 -16.628 -3.998 -0.949 53 HA GLU 7 HA GLU 7 -14.176 -3.806 0.405 54 HB2 GLU 7 HB2 GLU 7 -16.049 -6.133 -0.008 55 HB3 GLU 7 HB1 GLU 7 -14.608 -6.241 0.993 56 HG2 GLU 7 HG2 GLU 7 -16.798 -4.228 1.436 57 HG3 GLU 7 HG1 GLU 7 -16.739 -5.803 2.222 58 H ASP 8 HN ASP 8 -15.050 -5.443 -2.609 59 HA ASP 8 HA ASP 8 -12.676 -6.926 -2.921 60 HB2 ASP 8 HB2 ASP 8 -14.757 -5.912 -4.766 61 HB3 ASP 8 HB1 ASP 8 -13.195 -6.280 -5.491 62 H LYS 9 HN LYS 9 -13.413 -3.563 -3.647 63 HA LYS 9 HA LYS 9 -10.927 -3.028 -4.943 64 HB2 LYS 9 HB2 LYS 9 -12.974 -1.154 -3.740 65 HB3 LYS 9 HB1 LYS 9 -11.616 -0.651 -4.738 66 HG2 LYS 9 HG2 LYS 9 -12.502 -1.831 -6.635 67 HG3 LYS 9 HG1 LYS 9 -13.791 -2.523 -5.649 68 HD2 LYS 9 HD2 LYS 9 -14.729 -0.314 -5.284 69 HD3 LYS 9 HD1 LYS 9 -13.403 0.419 -6.193 70 HE2 LYS 9 HE2 LYS 9 -15.408 0.227 -7.570 71 HE3 LYS 9 HE1 LYS 9 -14.106 -0.781 -8.199 72 HZ1 LYS 9 HZ1 LYS 9 -16.158 -1.991 -8.248 73 HZ2 LYS 9 HZ2 LYS 9 -16.435 -1.701 -6.608 74 HZ3 LYS 9 HZ3 LYS 9 -15.151 -2.690 -7.084 75 H VAL 10 HN VAL 10 -12.156 -2.607 -1.655 76 HA VAL 10 HA VAL 10 -9.958 -1.194 -0.616 77 HB VAL 10 HB VAL 10 -11.513 -3.215 0.986 78 HG11 VAL 10 HG11 VAL 10 -9.640 -2.192 2.117 79 HG12 VAL 10 HG12 VAL 10 -11.153 -1.601 2.803 80 HG13 VAL 10 HG13 VAL 10 -10.234 -0.585 1.691 81 HG21 VAL 10 HG21 VAL 10 -12.402 -0.382 0.558 82 HG22 VAL 10 HG22 VAL 10 -13.262 -1.681 1.382 83 HG23 VAL 10 HG23 VAL 10 -13.046 -1.737 -0.367 84 H GLU 11 HN GLU 11 -10.655 -4.686 -0.682 85 HA GLU 11 HA GLU 11 -8.199 -5.461 0.535 86 HB2 GLU 11 HB2 GLU 11 -10.129 -7.042 -1.179 87 HB3 GLU 11 HB1 GLU 11 -8.797 -7.739 -0.268 88 HG2 GLU 11 HG2 GLU 11 -9.803 -7.004 1.810 89 HG3 GLU 11 HG1 GLU 11 -11.118 -6.237 0.918 90 H GLU 12 HN GLU 12 -9.070 -4.598 -2.676 91 HA GLU 12 HA GLU 12 -6.984 -5.905 -4.079 92 HB2 GLU 12 HB2 GLU 12 -8.950 -5.010 -5.229 93 HB3 GLU 12 HB1 GLU 12 -8.522 -3.381 -4.731 94 HG2 GLU 12 HG2 GLU 12 -6.508 -3.479 -6.086 95 HG3 GLU 12 HG1 GLU 12 -6.902 -5.130 -6.567 96 H LEU 13 HN LEU 13 -7.367 -2.614 -2.804 97 HA LEU 13 HA LEU 13 -4.674 -1.861 -3.290 98 HB2 LEU 13 HB2 LEU 13 -6.703 -0.759 -1.348 99 HB3 LEU 13 HB1 LEU 13 -5.155 -0.014 -1.695 100 HG LEU 13 HG LEU 13 -7.460 -0.364 -3.609 101 HD11 LEU 13 HD11 LEU 13 -6.142 2.094 -2.472 102 HD12 LEU 13 HD12 LEU 13 -7.704 1.441 -1.980 103 HD13 LEU 13 HD13 LEU 13 -7.486 2.064 -3.616 104 HD21 LEU 13 HD21 LEU 13 -4.705 0.757 -4.102 105 HD22 LEU 13 HD22 LEU 13 -6.063 0.862 -5.221 106 HD23 LEU 13 HD23 LEU 13 -5.380 -0.711 -4.808 107 H LEU 14 HN LEU 14 -6.334 -3.511 -0.728 108 HA LEU 14 HA LEU 14 -4.370 -3.455 1.277 109 HB2 LEU 14 HB2 LEU 14 -6.757 -4.297 1.427 110 HB3 LEU 14 HB1 LEU 14 -6.206 -5.754 0.629 111 HG LEU 14 HG LEU 14 -4.570 -6.046 2.547 112 HD11 LEU 14 HD11 LEU 14 -4.693 -3.746 3.396 113 HD12 LEU 14 HD12 LEU 14 -5.097 -4.938 4.633 114 HD13 LEU 14 HD13 LEU 14 -6.379 -4.019 3.845 115 HD21 LEU 14 HD21 LEU 14 -6.282 -7.029 3.999 116 HD22 LEU 14 HD22 LEU 14 -6.572 -7.400 2.300 117 HD23 LEU 14 HD23 LEU 14 -7.528 -6.159 3.107 118 H SER 15 HN SER 15 -4.702 -5.334 -1.626 119 HA SER 15 HA SER 15 -2.822 -7.360 -0.975 120 HB2 SER 15 HB2 SER 15 -4.600 -7.697 -2.652 121 HB3 SER 15 HB1 SER 15 -3.855 -6.478 -3.682 122 HG SER 15 HG SER 15 -2.925 -8.215 -4.467 123 H LYS 16 HN LYS 16 -2.662 -4.497 -3.112 124 HA LYS 16 HA LYS 16 0.124 -4.791 -3.540 125 HB2 LYS 16 HB2 LYS 16 0.098 -2.490 -4.398 126 HB3 LYS 16 HB1 LYS 16 -1.142 -3.497 -5.130 127 HG2 LYS 16 HG2 LYS 16 -2.813 -2.466 -3.646 128 HG3 LYS 16 HG1 LYS 16 -1.553 -1.435 -2.975 129 HD2 LYS 16 HD2 LYS 16 -2.097 -1.495 -5.923 130 HD3 LYS 16 HD1 LYS 16 -3.072 -0.501 -4.845 131 HE2 LYS 16 HE2 LYS 16 -1.352 0.883 -5.724 132 HE3 LYS 16 HE1 LYS 16 -0.952 0.558 -4.042 133 HZ1 LYS 16 HZ1 LYS 16 0.936 0.412 -5.635 134 HZ2 LYS 16 HZ2 LYS 16 0.210 -0.958 -6.310 135 HZ3 LYS 16 HZ3 LYS 16 0.708 -0.974 -4.697 136 H ASN 17 HN ASN 17 -1.777 -3.105 -1.107 137 HA ASN 17 HA ASN 17 0.266 -1.777 0.258 138 HB2 ASN 17 HB2 ASN 17 -2.396 -2.831 0.932 139 HB3 ASN 17 HB1 ASN 17 -1.287 -2.776 2.298 140 HD21 ASN 17 HD21 ASN 17 -3.714 -1.206 1.544 141 HD22 ASN 17 HD22 ASN 17 -3.216 0.446 1.650 142 H TYR 18 HN TYR 18 -0.782 -5.165 0.397 143 HA TYR 18 HA TYR 18 1.090 -5.994 2.349 144 HB2 TYR 18 HB2 TYR 18 -0.831 -7.375 1.669 145 HB3 TYR 18 HB1 TYR 18 -0.113 -7.593 0.078 146 HD1 TYR 18 HD1 TYR 18 1.444 -9.318 -0.312 147 HD2 TYR 18 HD2 TYR 18 0.398 -8.297 3.682 148 HE1 TYR 18 HE1 TYR 18 2.656 -11.294 0.504 149 HE2 TYR 18 HE2 TYR 18 1.604 -10.271 4.509 150 HH TYR 18 HH TYR 18 2.348 -12.445 3.695 151 H HIS 19 HN HIS 19 1.251 -5.838 -1.171 152 HA HIS 19 HA HIS 19 3.792 -7.026 -1.448 153 HB2 HIS 19 HB2 HIS 19 2.129 -5.269 -3.220 154 HB3 HIS 19 HB1 HIS 19 3.772 -5.697 -3.680 155 HD1 HIS 19 HD1 HIS 19 3.845 -7.655 -5.174 156 HD2 HIS 19 HD2 HIS 19 0.629 -7.851 -2.546 157 HE1 HIS 19 HE1 HIS 19 2.613 -9.764 -5.766 158 HE2 HIS 19 HE2 HIS 19 0.615 -9.810 -4.232 159 H LEU 20 HN LEU 20 2.852 -3.580 -1.465 160 HA LEU 20 HA LEU 20 5.410 -2.480 -1.687 161 HB2 LEU 20 HB2 LEU 20 3.167 -1.335 -0.031 162 HB3 LEU 20 HB1 LEU 20 4.486 -0.443 -0.748 163 HG LEU 20 HG LEU 20 2.119 -1.661 -2.060 164 HD11 LEU 20 HD11 LEU 20 1.796 0.545 -1.195 165 HD12 LEU 20 HD12 LEU 20 1.823 0.599 -2.958 166 HD13 LEU 20 HD13 LEU 20 3.235 1.117 -2.039 167 HD21 LEU 20 HD21 LEU 20 4.590 -0.629 -3.436 168 HD22 LEU 20 HD22 LEU 20 3.074 -1.030 -4.243 169 HD23 LEU 20 HD23 LEU 20 4.008 -2.294 -3.443 170 H GLU 21 HN GLU 21 3.487 -3.109 1.208 171 HA GLU 21 HA GLU 21 5.311 -2.243 3.118 172 HB2 GLU 21 HB2 GLU 21 2.814 -3.319 3.198 173 HB3 GLU 21 HB1 GLU 21 3.762 -4.634 3.879 174 HG2 GLU 21 HG2 GLU 21 3.739 -1.792 4.879 175 HG3 GLU 21 HG1 GLU 21 2.857 -3.142 5.595 176 H ASN 22 HN ASN 22 4.975 -5.496 1.716 177 HA ASN 22 HA ASN 22 7.122 -6.611 3.217 178 HB2 ASN 22 HB2 ASN 22 5.607 -7.486 0.776 179 HB3 ASN 22 HB1 ASN 22 7.034 -8.371 1.306 180 HD21 ASN 22 HD21 ASN 22 5.792 -10.199 1.731 181 HD22 ASN 22 HD22 ASN 22 4.761 -10.305 3.115 182 H GLU 23 HN GLU 23 6.877 -5.013 0.100 183 HA GLU 23 HA GLU 23 9.506 -5.648 -0.782 184 HB2 GLU 23 HB2 GLU 23 7.617 -4.896 -2.245 185 HB3 GLU 23 HB1 GLU 23 7.794 -3.284 -1.571 186 HG2 GLU 23 HG2 GLU 23 9.957 -3.037 -2.532 187 HG3 GLU 23 HG1 GLU 23 9.995 -4.733 -3.017 188 H VAL 24 HN VAL 24 8.110 -2.968 1.035 189 HA VAL 24 HA VAL 24 10.358 -1.316 1.225 190 HB VAL 24 HB VAL 24 8.187 -1.786 3.291 191 HG11 VAL 24 HG11 VAL 24 10.177 -0.804 4.305 192 HG12 VAL 24 HG12 VAL 24 8.855 0.362 4.239 193 HG13 VAL 24 HG13 VAL 24 10.180 0.465 3.079 194 HG21 VAL 24 HG21 VAL 24 8.488 0.363 1.198 195 HG22 VAL 24 HG22 VAL 24 7.222 0.289 2.424 196 HG23 VAL 24 HG23 VAL 24 7.316 -0.954 1.176 197 H ALA 25 HN ALA 25 9.267 -3.953 3.340 198 HA ALA 25 HA ALA 25 11.278 -3.779 5.266 199 HB1 ALA 25 HB1 ALA 25 9.824 -6.265 4.359 200 HB2 ALA 25 HB2 ALA 25 9.206 -5.093 5.522 201 HB3 ALA 25 HB3 ALA 25 10.647 -6.038 5.903 202 H ARG 26 HN ARG 26 11.192 -5.499 2.198 203 HA ARG 26 HA ARG 26 13.610 -6.925 2.511 204 HB2 ARG 26 HB2 ARG 26 12.181 -6.000 0.014 205 HB3 ARG 26 HB1 ARG 26 13.533 -7.127 0.027 206 HG2 ARG 26 HG2 ARG 26 12.252 -8.739 1.255 207 HG3 ARG 26 HG1 ARG 26 10.923 -7.594 1.448 208 HD2 ARG 26 HD2 ARG 26 10.436 -9.197 -0.315 209 HD3 ARG 26 HD1 ARG 26 10.590 -7.570 -0.971 210 HE ARG 26 HE ARG 26 13.080 -8.854 -1.140 211 HH11 ARG 26 HH11 ARG 26 9.879 -9.027 -2.540 212 HH12 ARG 26 HH12 ARG 26 10.434 -9.679 -4.048 213 HH21 ARG 26 HH21 ARG 26 13.818 -9.704 -3.126 214 HH22 ARG 26 HH22 ARG 26 12.677 -10.069 -4.379 215 H LEU 27 HN LEU 27 12.898 -3.899 0.771 216 HA LEU 27 HA LEU 27 15.553 -3.324 0.051 217 HB2 LEU 27 HB2 LEU 27 13.094 -1.638 0.396 218 HB3 LEU 27 HB1 LEU 27 14.638 -0.894 0.085 219 HG LEU 27 HG LEU 27 14.751 -1.650 -2.095 220 HD11 LEU 27 HD11 LEU 27 14.379 -4.026 -1.665 221 HD12 LEU 27 HD12 LEU 27 13.427 -3.456 -3.035 222 HD13 LEU 27 HD13 LEU 27 12.651 -3.723 -1.474 223 HD21 LEU 27 HD21 LEU 27 12.558 -1.200 -3.093 224 HD22 LEU 27 HD22 LEU 27 12.991 -0.025 -1.852 225 HD23 LEU 27 HD23 LEU 27 11.826 -1.301 -1.492 226 H LYS 28 HN LYS 28 13.636 -2.443 2.887 227 HA LYS 28 HA LYS 28 15.596 -0.721 4.010 228 HB2 LYS 28 HB2 LYS 28 13.082 -0.805 4.522 229 HB3 LYS 28 HB1 LYS 28 13.464 -2.151 5.584 230 HG2 LYS 28 HG2 LYS 28 13.346 -0.131 6.877 231 HG3 LYS 28 HG1 LYS 28 15.022 -0.684 6.826 232 HD2 LYS 28 HD2 LYS 28 15.454 0.918 4.989 233 HD3 LYS 28 HD1 LYS 28 13.801 1.507 5.148 234 HE2 LYS 28 HE2 LYS 28 15.957 1.620 7.251 235 HE3 LYS 28 HE1 LYS 28 15.350 2.970 6.292 236 HZ1 LYS 28 HZ1 LYS 28 13.800 1.391 8.274 237 HZ2 LYS 28 HZ2 LYS 28 13.166 2.633 7.316 238 HZ3 LYS 28 HZ3 LYS 28 14.353 2.977 8.469 239 H LYS 29 HN LYS 29 15.385 -4.096 3.783 240 HA LYS 29 HA LYS 29 16.931 -4.709 6.130 241 HB2 LYS 29 HB2 LYS 29 15.378 -6.324 4.975 242 HB3 LYS 29 HB1 LYS 29 16.525 -6.391 3.647 243 HG2 LYS 29 HG2 LYS 29 16.847 -8.306 5.032 244 HG3 LYS 29 HG1 LYS 29 18.237 -7.233 5.232 245 HD2 LYS 29 HD2 LYS 29 17.550 -8.099 7.388 246 HD3 LYS 29 HD1 LYS 29 17.232 -6.361 7.311 247 HE2 LYS 29 HE2 LYS 29 15.370 -7.521 8.354 248 HE3 LYS 29 HE1 LYS 29 14.874 -6.827 6.814 249 HZ1 LYS 29 HZ1 LYS 29 15.588 -9.672 7.286 250 HZ2 LYS 29 HZ2 LYS 29 15.124 -9.014 5.799 251 HZ3 LYS 29 HZ3 LYS 29 14.023 -9.064 7.078 252 H LEU 30 HN LEU 30 17.499 -4.035 2.756 253 HA LEU 30 HA LEU 30 20.326 -4.582 2.879 254 HB2 LEU 30 HB2 LEU 30 18.502 -3.465 0.774 255 HB3 LEU 30 HB1 LEU 30 20.240 -3.377 0.585 256 HG LEU 30 HG LEU 30 20.313 -5.874 0.814 257 HD11 LEU 30 HD11 LEU 30 18.195 -6.219 1.951 258 HD12 LEU 30 HD12 LEU 30 18.261 -7.132 0.446 259 HD13 LEU 30 HD13 LEU 30 17.327 -5.639 0.530 260 HD21 LEU 30 HD21 LEU 30 20.438 -4.774 -1.354 261 HD22 LEU 30 HD22 LEU 30 18.677 -4.768 -1.459 262 HD23 LEU 30 HD23 LEU 30 19.556 -6.296 -1.464 263 H VAL 31 HN VAL 31 18.226 -1.754 2.925 264 HA VAL 31 HA VAL 31 20.398 0.113 3.204 265 HB VAL 31 HB VAL 31 17.474 0.495 3.905 266 HG11 VAL 31 HG11 VAL 31 17.923 2.878 3.630 267 HG12 VAL 31 HG12 VAL 31 19.622 2.527 3.312 268 HG13 VAL 31 HG13 VAL 31 18.931 2.181 4.897 269 HG21 VAL 31 HG21 VAL 31 17.721 -0.177 1.578 270 HG22 VAL 31 HG22 VAL 31 18.908 1.101 1.324 271 HG23 VAL 31 HG23 VAL 31 17.236 1.513 1.697 272 H GLY 32 HN GLY 32 18.852 -2.110 5.190 273 HA2 GLY 32 HA2 GLY 32 19.128 -0.664 7.678 274 HA3 GLY 32 HA1 GLY 32 18.513 -2.297 7.463 275 H GLU 33 HN GLU 33 20.200 -3.918 6.776 276 HA GLU 33 HA GLU 33 22.032 -5.139 7.286 277 HB2 GLU 33 HB2 GLU 33 23.147 -3.294 6.015 278 HB3 GLU 33 HB1 GLU 33 23.454 -2.487 7.546 279 HG2 GLU 33 HG2 GLU 33 25.427 -3.653 6.812 280 HG3 GLU 33 HG1 GLU 33 24.794 -4.407 8.274 281 H1 GLY 1 HT1 GLY 1 -26.791 6.252 3.669 282 H2 GLY 1 HT2 GLY 1 -25.777 5.595 4.848 283 H3 GLY 1 HT3 GLY 1 -26.333 4.628 3.578 284 HA2 GLY 1 HA1 GLY 1 -25.097 5.941 1.987 285 HA3 GLY 1 HA2 GLY 1 -24.534 6.965 3.301 286 H SER 2 HN SER 2 -23.855 4.273 1.424 287 HA SER 2 HA SER 2 -21.876 3.319 3.380 288 HB2 SER 2 HB2 SER 2 -21.892 1.238 1.829 289 HB3 SER 2 HB1 SER 2 -23.257 1.479 2.927 290 HG SER 2 HG SER 2 -23.882 0.964 0.758 291 H MET 3 HN MET 3 -22.379 4.495 0.137 292 HA MET 3 HA MET 3 -20.097 3.571 -1.125 293 HB2 MET 3 HB2 MET 3 -21.615 6.140 -1.555 294 HB3 MET 3 HB1 MET 3 -20.347 5.565 -2.627 295 HG2 MET 3 HG2 MET 3 -22.939 4.166 -2.019 296 HG3 MET 3 HG1 MET 3 -22.531 5.016 -3.506 297 HE1 MET 3 HE1 MET 3 -19.698 2.736 -4.981 298 HE2 MET 3 HE2 MET 3 -19.474 4.127 -3.921 299 HE3 MET 3 HE3 MET 3 -20.670 4.190 -5.216 300 H LYS 4 HN LYS 4 -20.489 6.709 0.534 301 HA LYS 4 HA LYS 4 -17.783 7.469 0.040 302 HB2 LYS 4 HB2 LYS 4 -19.993 8.612 1.715 303 HB3 LYS 4 HB1 LYS 4 -18.360 9.238 1.857 304 HG2 LYS 4 HG2 LYS 4 -19.540 10.641 0.354 305 HG3 LYS 4 HG1 LYS 4 -18.399 9.692 -0.597 306 HD2 LYS 4 HD2 LYS 4 -20.197 8.186 -1.268 307 HD3 LYS 4 HD1 LYS 4 -21.342 9.098 -0.284 308 HE2 LYS 4 HE2 LYS 4 -21.543 9.748 -2.610 309 HE3 LYS 4 HE1 LYS 4 -20.914 11.091 -1.658 310 HZ1 LYS 4 HZ1 LYS 4 -18.680 10.507 -2.429 311 HZ2 LYS 4 HZ2 LYS 4 -19.707 10.882 -3.716 312 HZ3 LYS 4 HZ3 LYS 4 -19.326 9.271 -3.384 313 H GLN 5 HN GLN 5 -19.090 5.314 2.206 314 HA GLN 5 HA GLN 5 -17.170 5.859 4.342 315 HB2 GLN 5 HB2 GLN 5 -19.447 3.867 4.251 316 HB3 GLN 5 HB1 GLN 5 -18.440 4.214 5.648 317 HG2 GLN 5 HG2 GLN 5 -20.250 6.203 4.296 318 HG3 GLN 5 HG1 GLN 5 -20.665 5.278 5.736 319 HE21 GLN 5 HE21 GLN 5 -20.939 7.078 7.002 320 HE22 GLN 5 HE22 GLN 5 -19.619 8.066 7.526 321 H LEU 6 HN LEU 6 -18.230 3.367 2.094 322 HA LEU 6 HA LEU 6 -16.116 1.557 2.654 323 HB2 LEU 6 HB2 LEU 6 -18.054 1.918 0.400 324 HB3 LEU 6 HB1 LEU 6 -16.684 0.858 0.178 325 HG LEU 6 HG LEU 6 -18.778 -0.325 0.797 326 HD11 LEU 6 HD11 LEU 6 -16.516 -1.248 1.292 327 HD12 LEU 6 HD12 LEU 6 -17.788 -1.828 2.364 328 HD13 LEU 6 HD13 LEU 6 -16.660 -0.600 2.926 329 HD21 LEU 6 HD21 LEU 6 -19.741 1.338 2.291 330 HD22 LEU 6 HD22 LEU 6 -18.436 1.077 3.447 331 HD23 LEU 6 HD23 LEU 6 -19.581 -0.219 3.102 332 H GLU 7 HN GLU 7 -16.619 4.093 0.216 333 HA GLU 7 HA GLU 7 -14.114 3.874 -1.036 334 HB2 GLU 7 HB2 GLU 7 -15.982 6.218 -0.717 335 HB3 GLU 7 HB1 GLU 7 -14.500 6.306 -1.661 336 HG2 GLU 7 HG2 GLU 7 -16.688 4.309 -2.177 337 HG3 GLU 7 HG1 GLU 7 -16.586 5.879 -2.969 338 H ASP 8 HN ASP 8 -15.099 5.534 1.932 339 HA ASP 8 HA ASP 8 -12.729 7.005 2.331 340 HB2 ASP 8 HB2 ASP 8 -14.889 6.015 4.095 341 HB3 ASP 8 HB1 ASP 8 -13.356 6.379 4.881 342 H LYS 9 HN LYS 9 -13.521 3.653 3.051 343 HA LYS 9 HA LYS 9 -11.095 3.108 4.451 344 HB2 LYS 9 HB2 LYS 9 -13.103 1.240 3.173 345 HB3 LYS 9 HB1 LYS 9 -11.792 0.733 4.232 346 HG2 LYS 9 HG2 LYS 9 -12.749 1.930 6.082 347 HG3 LYS 9 HG1 LYS 9 -13.987 2.629 5.039 348 HD2 LYS 9 HD2 LYS 9 -14.932 0.426 4.651 349 HD3 LYS 9 HD1 LYS 9 -13.653 -0.313 5.619 350 HE2 LYS 9 HE2 LYS 9 -15.718 -0.092 6.901 351 HE3 LYS 9 HE1 LYS 9 -14.429 0.894 7.586 352 HZ1 LYS 9 HZ1 LYS 9 -16.456 2.144 7.554 353 HZ2 LYS 9 HZ2 LYS 9 -16.682 1.848 5.907 354 HZ3 LYS 9 HZ3 LYS 9 -15.399 2.822 6.421 355 H VAL 10 HN VAL 10 -12.188 2.677 1.117 356 HA VAL 10 HA VAL 10 -9.960 1.241 0.176 357 HB VAL 10 HB VAL 10 -11.433 3.262 -1.501 358 HG11 VAL 10 HG11 VAL 10 -9.521 2.220 -2.543 359 HG12 VAL 10 HG12 VAL 10 -11.005 1.630 -3.289 360 HG13 VAL 10 HG13 VAL 10 -10.139 0.619 -2.130 361 HG21 VAL 10 HG21 VAL 10 -12.359 0.438 -1.094 362 HG22 VAL 10 HG22 VAL 10 -13.176 1.738 -1.960 363 HG23 VAL 10 HG23 VAL 10 -13.030 1.802 -0.203 364 H GLU 11 HN GLU 11 -10.635 4.738 0.190 365 HA GLU 11 HA GLU 11 -8.124 5.486 -0.923 366 HB2 GLU 11 HB2 GLU 11 -10.112 7.093 0.697 367 HB3 GLU 11 HB1 GLU 11 -8.739 7.775 -0.161 368 HG2 GLU 11 HG2 GLU 11 -9.660 7.029 -2.274 369 HG3 GLU 11 HG1 GLU 11 -11.014 6.274 -1.432 370 H GLU 12 HN GLU 12 -9.133 4.652 2.256 371 HA GLU 12 HA GLU 12 -7.101 5.956 3.738 372 HB2 GLU 12 HB2 GLU 12 -9.120 5.076 4.805 373 HB3 GLU 12 HB1 GLU 12 -8.678 3.443 4.337 374 HG2 GLU 12 HG2 GLU 12 -6.728 3.538 5.779 375 HG3 GLU 12 HG1 GLU 12 -7.129 5.195 6.228 376 H LEU 13 HN LEU 13 -7.450 2.663 2.464 377 HA LEU 13 HA LEU 13 -4.787 1.891 3.065 378 HB2 LEU 13 HB2 LEU 13 -6.743 0.791 1.048 379 HB3 LEU 13 HB1 LEU 13 -5.215 0.038 1.461 380 HG LEU 13 HG LEU 13 -7.593 0.413 3.279 381 HD11 LEU 13 HD11 LEU 13 -6.250 -2.062 2.213 382 HD12 LEU 13 HD12 LEU 13 -7.785 -1.400 1.652 383 HD13 LEU 13 HD13 LEU 13 -7.637 -2.013 3.300 384 HD21 LEU 13 HD21 LEU 13 -4.869 -0.730 3.892 385 HD22 LEU 13 HD22 LEU 13 -6.276 -0.815 4.953 386 HD23 LEU 13 HD23 LEU 13 -5.561 0.748 4.562 387 H LEU 14 HN LEU 14 -6.326 3.534 0.425 388 HA LEU 14 HA LEU 14 -4.284 3.449 -1.496 389 HB2 LEU 14 HB2 LEU 14 -6.654 4.311 -1.746 390 HB3 LEU 14 HB1 LEU 14 -6.125 5.766 -0.933 391 HG LEU 14 HG LEU 14 -4.412 6.043 -2.786 392 HD11 LEU 14 HD11 LEU 14 -4.515 3.736 -3.626 393 HD12 LEU 14 HD12 LEU 14 -4.856 4.923 -4.885 394 HD13 LEU 14 HD13 LEU 14 -6.177 4.017 -4.146 395 HD21 LEU 14 HD21 LEU 14 -6.054 7.020 -4.319 396 HD22 LEU 14 HD22 LEU 14 -6.420 7.405 -2.638 397 HD23 LEU 14 HD23 LEU 14 -7.345 6.162 -3.479 398 H SER 15 HN SER 15 -4.724 5.355 1.376 399 HA SER 15 HA SER 15 -2.800 7.354 0.786 400 HB2 SER 15 HB2 SER 15 -4.653 7.714 2.384 401 HB3 SER 15 HB1 SER 15 -3.936 6.523 3.469 402 HG SER 15 HG SER 15 -2.999 8.260 4.241 403 H LYS 16 HN LYS 16 -2.752 4.508 2.951 404 HA LYS 16 HA LYS 16 0.016 4.787 3.497 405 HB2 LYS 16 HB2 LYS 16 -0.060 2.493 4.365 406 HB3 LYS 16 HB1 LYS 16 -1.323 3.511 5.038 407 HG2 LYS 16 HG2 LYS 16 -2.937 2.480 3.492 408 HG3 LYS 16 HG1 LYS 16 -1.657 1.438 2.880 409 HD2 LYS 16 HD2 LYS 16 -2.324 1.521 5.803 410 HD3 LYS 16 HD1 LYS 16 -3.260 0.527 4.691 411 HE2 LYS 16 HE2 LYS 16 -1.593 -0.867 5.648 412 HE3 LYS 16 HE1 LYS 16 -1.111 -0.550 3.985 413 HZ1 LYS 16 HZ1 LYS 16 0.705 -0.410 5.663 414 HZ2 LYS 16 HZ2 LYS 16 -0.046 0.962 6.304 415 HZ3 LYS 16 HZ3 LYS 16 0.526 0.976 4.716 416 H ASN 17 HN ASN 17 -1.790 3.098 0.995 417 HA ASN 17 HA ASN 17 0.295 1.745 -0.273 418 HB2 ASN 17 HB2 ASN 17 -2.324 2.821 -1.063 419 HB3 ASN 17 HB1 ASN 17 -1.160 2.746 -2.382 420 HD21 ASN 17 HD21 ASN 17 -3.632 1.201 -1.720 421 HD22 ASN 17 HD22 ASN 17 -3.145 -0.454 -1.795 422 H TYR 18 HN TYR 18 -0.724 5.138 -0.482 423 HA TYR 18 HA TYR 18 1.234 5.943 -2.358 424 HB2 TYR 18 HB2 TYR 18 -0.703 7.344 -1.765 425 HB3 TYR 18 HB1 TYR 18 -0.052 7.561 -0.145 426 HD1 TYR 18 HD1 TYR 18 1.494 9.288 0.306 427 HD2 TYR 18 HD2 TYR 18 0.625 8.239 -3.724 428 HE1 TYR 18 HE1 TYR 18 2.751 11.255 -0.473 429 HE2 TYR 18 HE2 TYR 18 1.873 10.203 -4.508 430 HH TYR 18 HH TYR 18 2.610 12.359 -3.708 431 H HIS 19 HN HIS 19 1.251 5.807 1.170 432 HA HIS 19 HA HIS 19 3.790 6.980 1.541 433 HB2 HIS 19 HB2 HIS 19 2.047 5.246 3.258 434 HB3 HIS 19 HB1 HIS 19 3.672 5.671 3.781 435 HD1 HIS 19 HD1 HIS 19 3.699 7.633 5.257 436 HD2 HIS 19 HD2 HIS 19 0.582 7.828 2.517 437 HE1 HIS 19 HE1 HIS 19 2.460 9.753 5.791 438 HE2 HIS 19 HE2 HIS 19 0.531 9.812 4.177 439 H LEU 20 HN LEU 20 2.823 3.544 1.542 440 HA LEU 20 HA LEU 20 5.359 2.425 1.879 441 HB2 LEU 20 HB2 LEU 20 3.178 1.288 0.137 442 HB3 LEU 20 HB1 LEU 20 4.460 0.389 0.911 443 HG LEU 20 HG LEU 20 2.046 1.629 2.116 444 HD11 LEU 20 HD11 LEU 20 1.747 -0.582 1.255 445 HD12 LEU 20 HD12 LEU 20 1.700 -0.620 3.018 446 HD13 LEU 20 HD13 LEU 20 3.147 -1.154 2.161 447 HD21 LEU 20 HD21 LEU 20 4.450 0.592 3.603 448 HD22 LEU 20 HD22 LEU 20 2.903 1.016 4.336 449 HD23 LEU 20 HD23 LEU 20 3.884 2.263 3.567 450 H GLU 21 HN GLU 21 3.562 3.048 -1.099 451 HA GLU 21 HA GLU 21 5.459 2.157 -2.923 452 HB2 GLU 21 HB2 GLU 21 2.975 3.252 -3.119 453 HB3 GLU 21 HB1 GLU 21 3.962 4.556 -3.760 454 HG2 GLU 21 HG2 GLU 21 3.962 1.712 -4.753 455 HG3 GLU 21 HG1 GLU 21 3.123 3.067 -5.510 456 H ASN 22 HN ASN 22 5.087 5.416 -1.552 457 HA ASN 22 HA ASN 22 7.296 6.511 -2.972 458 HB2 ASN 22 HB2 ASN 22 5.691 7.413 -0.598 459 HB3 ASN 22 HB1 ASN 22 7.143 8.286 -1.076 460 HD21 ASN 22 HD21 ASN 22 5.950 10.121 -1.572 461 HD22 ASN 22 HD22 ASN 22 4.975 10.227 -2.997 462 H GLU 23 HN GLU 23 6.919 4.936 0.139 463 HA GLU 23 HA GLU 23 9.512 5.560 1.126 464 HB2 GLU 23 HB2 GLU 23 7.561 4.833 2.513 465 HB3 GLU 23 HB1 GLU 23 7.751 3.216 1.858 466 HG2 GLU 23 HG2 GLU 23 9.869 2.953 2.910 467 HG3 GLU 23 HG1 GLU 23 9.906 4.653 3.382 468 H VAL 24 HN VAL 24 8.174 2.881 -0.733 469 HA VAL 24 HA VAL 24 10.416 1.210 -0.817 470 HB VAL 24 HB VAL 24 8.337 1.685 -2.973 471 HG11 VAL 24 HG11 VAL 24 10.358 0.684 -3.903 472 HG12 VAL 24 HG12 VAL 24 9.026 -0.474 -3.884 473 HG13 VAL 24 HG13 VAL 24 10.304 -0.578 -2.672 474 HG21 VAL 24 HG21 VAL 24 8.533 -0.458 -0.860 475 HG22 VAL 24 HG22 VAL 24 7.321 -0.380 -2.139 476 HG23 VAL 24 HG23 VAL 24 7.371 0.868 -0.893 477 H ALA 25 HN ALA 25 9.434 3.840 -2.993 478 HA ALA 25 HA ALA 25 11.521 3.640 -4.830 479 HB1 ALA 25 HB1 ALA 25 10.052 6.141 -4.002 480 HB2 ALA 25 HB2 ALA 25 9.473 4.966 -5.181 481 HB3 ALA 25 HB3 ALA 25 10.935 5.896 -5.510 482 H ARG 26 HN ARG 26 11.320 5.377 -1.779 483 HA ARG 26 HA ARG 26 13.758 6.787 -2.002 484 HB2 ARG 26 HB2 ARG 26 12.222 5.891 0.441 485 HB3 ARG 26 HB1 ARG 26 13.578 7.009 0.474 486 HG2 ARG 26 HG2 ARG 26 12.356 8.620 -0.817 487 HG3 ARG 26 HG1 ARG 26 11.031 7.481 -1.055 488 HD2 ARG 26 HD2 ARG 26 10.483 9.104 0.674 489 HD3 ARG 26 HD1 ARG 26 10.598 7.479 1.347 490 HE ARG 26 HE ARG 26 13.088 8.746 1.610 491 HH11 ARG 26 HH11 ARG 26 9.833 8.940 2.878 492 HH12 ARG 26 HH12 ARG 26 10.330 9.595 4.406 493 HH21 ARG 26 HH21 ARG 26 13.746 9.614 3.619 494 HH22 ARG 26 HH22 ARG 26 12.555 9.986 4.821 495 H LEU 27 HN LEU 27 12.953 3.778 -0.273 496 HA LEU 27 HA LEU 27 15.571 3.189 0.562 497 HB2 LEU 27 HB2 LEU 27 13.115 1.523 0.123 498 HB3 LEU 27 HB1 LEU 27 14.639 0.766 0.499 499 HG LEU 27 HG LEU 27 14.669 1.531 2.679 500 HD11 LEU 27 HD11 LEU 27 14.336 3.909 2.220 501 HD12 LEU 27 HD12 LEU 27 13.326 3.356 3.555 502 HD13 LEU 27 HD13 LEU 27 12.616 3.619 1.962 503 HD21 LEU 27 HD21 LEU 27 12.433 1.105 3.590 504 HD22 LEU 27 HD22 LEU 27 12.907 -0.079 2.372 505 HD23 LEU 27 HD23 LEU 27 11.768 1.204 1.959 506 H LYS 28 HN LYS 28 13.769 2.308 -2.349 507 HA LYS 28 HA LYS 28 15.762 0.562 -3.376 508 HB2 LYS 28 HB2 LYS 28 13.272 0.657 -3.995 509 HB3 LYS 28 HB1 LYS 28 13.706 1.996 -5.051 510 HG2 LYS 28 HG2 LYS 28 13.629 -0.035 -6.333 511 HG3 LYS 28 HG1 LYS 28 15.303 0.512 -6.215 512 HD2 LYS 28 HD2 LYS 28 15.651 -1.080 -4.354 513 HD3 LYS 28 HD1 LYS 28 14.002 -1.662 -4.576 514 HE2 LYS 28 HE2 LYS 28 16.241 -1.800 -6.588 515 HE3 LYS 28 HE1 LYS 28 15.590 -3.141 -5.649 516 HZ1 LYS 28 HZ1 LYS 28 14.136 -1.569 -7.704 517 HZ2 LYS 28 HZ2 LYS 28 13.451 -2.789 -6.759 518 HZ3 LYS 28 HZ3 LYS 28 14.676 -3.163 -7.858 519 H LYS 29 HN LYS 29 15.565 3.940 -3.181 520 HA LYS 29 HA LYS 29 17.213 4.526 -5.464 521 HB2 LYS 29 HB2 LYS 29 15.624 6.161 -4.380 522 HB3 LYS 29 HB1 LYS 29 16.721 6.229 -3.012 523 HG2 LYS 29 HG2 LYS 29 17.109 8.133 -4.399 524 HG3 LYS 29 HG1 LYS 29 18.499 7.048 -4.531 525 HD2 LYS 29 HD2 LYS 29 17.907 7.905 -6.722 526 HD3 LYS 29 HD1 LYS 29 17.578 6.168 -6.645 527 HE2 LYS 29 HE2 LYS 29 15.767 7.333 -7.773 528 HE3 LYS 29 HE1 LYS 29 15.202 6.647 -6.253 529 HZ1 LYS 29 HZ1 LYS 29 15.938 9.487 -6.709 530 HZ2 LYS 29 HZ2 LYS 29 15.416 8.841 -5.239 531 HZ3 LYS 29 HZ3 LYS 29 14.367 8.882 -6.564 532 H LEU 30 HN LEU 30 17.633 3.876 -2.062 533 HA LEU 30 HA LEU 30 20.467 4.396 -2.071 534 HB2 LEU 30 HB2 LEU 30 18.550 3.307 -0.037 535 HB3 LEU 30 HB1 LEU 30 20.280 3.206 0.222 536 HG LEU 30 HG LEU 30 20.385 5.702 -0.018 537 HD11 LEU 30 HD11 LEU 30 18.316 6.055 -1.246 538 HD12 LEU 30 HD12 LEU 30 18.329 6.979 0.258 539 HD13 LEU 30 HD13 LEU 30 17.387 5.492 0.145 540 HD21 LEU 30 HD21 LEU 30 20.409 4.614 2.158 541 HD22 LEU 30 HD22 LEU 30 18.645 4.621 2.190 542 HD23 LEU 30 HD23 LEU 30 19.534 6.144 2.225 543 H VAL 31 HN VAL 31 18.351 1.586 -2.192 544 HA VAL 31 HA VAL 31 20.519 -0.301 -2.372 545 HB VAL 31 HB VAL 31 17.622 -0.664 -3.189 546 HG11 VAL 31 HG11 VAL 31 18.044 -3.047 -2.883 547 HG12 VAL 31 HG12 VAL 31 19.730 -2.705 -2.497 548 HG13 VAL 31 HG13 VAL 31 19.110 -2.365 -4.111 549 HG21 VAL 31 HG21 VAL 31 17.779 0.019 -0.858 550 HG22 VAL 31 HG22 VAL 31 18.946 -1.268 -0.549 551 HG23 VAL 31 HG23 VAL 31 17.287 -1.670 -0.989 552 H GLY 32 HN GLY 32 19.078 1.929 -4.427 553 HA2 GLY 32 HA2 GLY 32 19.443 0.459 -6.893 554 HA3 GLY 32 HA1 GLY 32 18.825 2.096 -6.716 555 H GLU 33 HN GLU 33 20.496 3.718 -5.973 556 HA GLU 33 HA GLU 33 22.357 4.919 -6.418 557 HB2 GLU 33 HB2 GLU 33 23.396 3.067 -5.088 558 HB3 GLU 33 HB1 GLU 33 23.765 2.251 -6.599 559 HG2 GLU 33 HG2 GLU 33 25.712 3.400 -5.788 560 HG3 GLU 33 HG1 GLU 33 25.150 4.159 -7.275 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 -25.414 -4.913 -7.321 2 H2 GLY 1 HT2 GLY 1 -23.857 -4.387 -7.714 3 H3 GLY 1 HT3 GLY 1 -25.059 -3.261 -7.345 4 HA2 GLY 1 HA1 GLY 1 -25.171 -4.045 -5.081 5 HA3 GLY 1 HA2 GLY 1 -23.949 -5.254 -5.456 6 H SER 2 HN SER 2 -23.453 -3.574 -3.398 7 HA SER 2 HA SER 2 -21.422 -1.772 -4.529 8 HB2 SER 2 HB2 SER 2 -21.820 -0.383 -2.409 9 HB3 SER 2 HB1 SER 2 -23.061 -0.307 -3.663 10 HG SER 2 HG SER 2 -23.971 -0.615 -1.590 11 H MET 3 HN MET 3 -22.374 -3.443 -1.546 12 HA MET 3 HA MET 3 -20.134 -3.042 -0.047 13 HB2 MET 3 HB2 MET 3 -21.876 -5.501 -0.101 14 HB3 MET 3 HB1 MET 3 -20.728 -5.120 1.174 15 HG2 MET 3 HG2 MET 3 -23.129 -3.478 0.408 16 HG3 MET 3 HG1 MET 3 -22.993 -4.530 1.814 17 HE1 MET 3 HE1 MET 3 -21.305 -4.108 3.803 18 HE2 MET 3 HE2 MET 3 -20.272 -2.686 3.946 19 HE3 MET 3 HE3 MET 3 -19.932 -3.901 2.715 20 H LYS 4 HN LYS 4 -20.634 -5.957 -2.081 21 HA LYS 4 HA LYS 4 -18.124 -7.058 -1.355 22 HB2 LYS 4 HB2 LYS 4 -20.043 -7.716 -3.581 23 HB3 LYS 4 HB1 LYS 4 -18.567 -8.626 -3.293 24 HG2 LYS 4 HG2 LYS 4 -20.758 -8.256 -1.262 25 HG3 LYS 4 HG1 LYS 4 -20.587 -9.665 -2.313 26 HD2 LYS 4 HD2 LYS 4 -18.393 -10.127 -1.347 27 HD3 LYS 4 HD1 LYS 4 -18.539 -8.705 -0.313 28 HE2 LYS 4 HE2 LYS 4 -20.406 -11.072 -0.265 29 HE3 LYS 4 HE1 LYS 4 -19.062 -10.829 0.848 30 HZ1 LYS 4 HZ1 LYS 4 -20.114 -8.782 1.601 31 HZ2 LYS 4 HZ2 LYS 4 -21.137 -10.106 1.824 32 HZ3 LYS 4 HZ3 LYS 4 -21.411 -9.038 0.545 33 H GLN 5 HN GLN 5 -18.991 -4.767 -3.750 34 HA GLN 5 HA GLN 5 -16.692 -5.324 -5.431 35 HB2 GLN 5 HB2 GLN 5 -18.977 -3.366 -5.675 36 HB3 GLN 5 HB1 GLN 5 -17.589 -3.327 -6.751 37 HG2 GLN 5 HG2 GLN 5 -19.303 -4.509 -7.866 38 HG3 GLN 5 HG1 GLN 5 -18.102 -5.695 -7.365 39 HE21 GLN 5 HE21 GLN 5 -20.473 -4.218 -5.248 40 HE22 GLN 5 HE22 GLN 5 -21.371 -5.664 -4.945 41 H LEU 6 HN LEU 6 -17.997 -2.773 -3.384 42 HA LEU 6 HA LEU 6 -15.772 -1.058 -3.469 43 HB2 LEU 6 HB2 LEU 6 -18.038 -1.510 -1.575 44 HB3 LEU 6 HB1 LEU 6 -16.675 -0.572 -1.018 45 HG LEU 6 HG LEU 6 -18.597 0.784 -1.854 46 HD11 LEU 6 HD11 LEU 6 -16.071 1.164 -3.459 47 HD12 LEU 6 HD12 LEU 6 -16.278 1.653 -1.778 48 HD13 LEU 6 HD13 LEU 6 -17.266 2.389 -3.040 49 HD21 LEU 6 HD21 LEU 6 -19.303 -0.645 -3.689 50 HD22 LEU 6 HD22 LEU 6 -17.785 -0.340 -4.532 51 HD23 LEU 6 HD23 LEU 6 -18.928 0.977 -4.272 52 H GLU 7 HN GLU 7 -16.693 -3.655 -1.230 53 HA GLU 7 HA GLU 7 -14.380 -3.665 0.337 54 HB2 GLU 7 HB2 GLU 7 -16.455 -4.921 0.867 55 HB3 GLU 7 HB1 GLU 7 -16.085 -6.043 -0.434 56 HG2 GLU 7 HG2 GLU 7 -15.471 -7.011 1.674 57 HG3 GLU 7 HG1 GLU 7 -14.019 -6.681 0.732 58 H ASP 8 HN ASP 8 -15.084 -5.203 -2.788 59 HA ASP 8 HA ASP 8 -12.700 -6.690 -2.997 60 HB2 ASP 8 HB2 ASP 8 -14.608 -5.562 -4.985 61 HB3 ASP 8 HB1 ASP 8 -13.027 -6.064 -5.570 62 H LYS 9 HN LYS 9 -13.384 -3.333 -3.911 63 HA LYS 9 HA LYS 9 -10.860 -2.750 -5.000 64 HB2 LYS 9 HB2 LYS 9 -12.813 -0.893 -3.630 65 HB3 LYS 9 HB1 LYS 9 -11.453 -0.379 -4.616 66 HG2 LYS 9 HG2 LYS 9 -13.835 -1.963 -5.555 67 HG3 LYS 9 HG1 LYS 9 -13.515 -0.258 -5.875 68 HD2 LYS 9 HD2 LYS 9 -11.472 -0.885 -7.088 69 HD3 LYS 9 HD1 LYS 9 -11.824 -2.586 -6.785 70 HE2 LYS 9 HE2 LYS 9 -12.528 -2.003 -9.015 71 HE3 LYS 9 HE1 LYS 9 -13.941 -2.338 -8.018 72 HZ1 LYS 9 HZ1 LYS 9 -14.211 -0.365 -9.418 73 HZ2 LYS 9 HZ2 LYS 9 -12.910 0.374 -8.634 74 HZ3 LYS 9 HZ3 LYS 9 -14.318 0.009 -7.773 75 H VAL 10 HN VAL 10 -12.104 -2.394 -1.704 76 HA VAL 10 HA VAL 10 -9.883 -1.150 -0.546 77 HB VAL 10 HB VAL 10 -11.517 -3.215 0.914 78 HG11 VAL 10 HG11 VAL 10 -9.642 -2.238 2.113 79 HG12 VAL 10 HG12 VAL 10 -11.177 -1.733 2.821 80 HG13 VAL 10 HG13 VAL 10 -10.273 -0.620 1.790 81 HG21 VAL 10 HG21 VAL 10 -13.012 -1.675 -0.392 82 HG22 VAL 10 HG22 VAL 10 -12.362 -0.356 0.586 83 HG23 VAL 10 HG23 VAL 10 -13.248 -1.669 1.355 84 H GLU 11 HN GLU 11 -10.676 -4.592 -0.867 85 HA GLU 11 HA GLU 11 -8.366 -5.513 0.527 86 HB2 GLU 11 HB2 GLU 11 -10.397 -6.843 0.410 87 HB3 GLU 11 HB1 GLU 11 -10.303 -6.918 -1.339 88 HG2 GLU 11 HG2 GLU 11 -9.610 -9.016 -0.440 89 HG3 GLU 11 HG1 GLU 11 -8.204 -8.207 -1.128 90 H GLU 12 HN GLU 12 -9.026 -4.830 -2.871 91 HA GLU 12 HA GLU 12 -6.797 -6.177 -3.962 92 HB2 GLU 12 HB2 GLU 12 -8.352 -3.780 -4.929 93 HB3 GLU 12 HB1 GLU 12 -7.036 -4.495 -5.850 94 HG2 GLU 12 HG2 GLU 12 -8.240 -6.604 -5.960 95 HG3 GLU 12 HG1 GLU 12 -9.550 -5.914 -5.003 96 H LEU 13 HN LEU 13 -7.252 -2.833 -2.879 97 HA LEU 13 HA LEU 13 -4.565 -2.037 -3.265 98 HB2 LEU 13 HB2 LEU 13 -6.600 -1.017 -1.282 99 HB3 LEU 13 HB1 LEU 13 -5.097 -0.214 -1.696 100 HG LEU 13 HG LEU 13 -7.404 -0.702 -3.577 101 HD11 LEU 13 HD11 LEU 13 -6.384 1.820 -2.290 102 HD12 LEU 13 HD12 LEU 13 -7.879 0.979 -1.884 103 HD13 LEU 13 HD13 LEU 13 -7.685 1.714 -3.475 104 HD21 LEU 13 HD21 LEU 13 -4.819 0.796 -3.994 105 HD22 LEU 13 HD22 LEU 13 -6.161 0.708 -5.136 106 HD23 LEU 13 HD23 LEU 13 -5.250 -0.747 -4.733 107 H LEU 14 HN LEU 14 -6.309 -3.559 -0.649 108 HA LEU 14 HA LEU 14 -4.345 -3.483 1.345 109 HB2 LEU 14 HB2 LEU 14 -6.845 -4.256 1.376 110 HB3 LEU 14 HB1 LEU 14 -6.172 -5.826 0.987 111 HG LEU 14 HG LEU 14 -4.750 -5.663 3.038 112 HD11 LEU 14 HD11 LEU 14 -5.336 -4.014 4.714 113 HD12 LEU 14 HD12 LEU 14 -6.528 -3.312 3.621 114 HD13 LEU 14 HD13 LEU 14 -4.807 -3.214 3.230 115 HD21 LEU 14 HD21 LEU 14 -6.833 -6.944 3.014 116 HD22 LEU 14 HD22 LEU 14 -7.730 -5.493 3.462 117 HD23 LEU 14 HD23 LEU 14 -6.561 -6.187 4.583 118 H SER 15 HN SER 15 -4.785 -5.539 -1.408 119 HA SER 15 HA SER 15 -3.030 -7.614 -0.566 120 HB2 SER 15 HB2 SER 15 -4.928 -7.806 -2.271 121 HB3 SER 15 HB1 SER 15 -3.842 -7.018 -3.415 122 HG SER 15 HG SER 15 -3.119 -9.350 -1.972 123 H LYS 16 HN LYS 16 -2.725 -4.711 -2.588 124 HA LYS 16 HA LYS 16 0.056 -5.313 -3.037 125 HB2 LYS 16 HB2 LYS 16 0.236 -3.336 -4.308 126 HB3 LYS 16 HB1 LYS 16 -1.305 -4.058 -4.727 127 HG2 LYS 16 HG2 LYS 16 -2.420 -2.425 -3.232 128 HG3 LYS 16 HG1 LYS 16 -0.848 -1.663 -2.962 129 HD2 LYS 16 HD2 LYS 16 -0.672 -1.433 -5.475 130 HD3 LYS 16 HD1 LYS 16 -2.362 -1.917 -5.554 131 HE2 LYS 16 HE2 LYS 16 -2.908 0.004 -4.061 132 HE3 LYS 16 HE1 LYS 16 -1.222 0.520 -4.187 133 HZ1 LYS 16 HZ1 LYS 16 -2.664 1.683 -5.762 134 HZ2 LYS 16 HZ2 LYS 16 -3.091 0.212 -6.480 135 HZ3 LYS 16 HZ3 LYS 16 -1.495 0.760 -6.561 136 H ASN 17 HN ASN 17 -1.851 -3.331 -0.819 137 HA ASN 17 HA ASN 17 0.150 -2.035 0.626 138 HB2 ASN 17 HB2 ASN 17 -2.300 -3.561 1.583 139 HB3 ASN 17 HB1 ASN 17 -1.211 -2.778 2.711 140 HD21 ASN 17 HD21 ASN 17 -0.696 -0.430 1.256 141 HD22 ASN 17 HD22 ASN 17 -2.168 0.472 1.191 142 H TYR 18 HN TYR 18 -0.927 -5.413 0.760 143 HA TYR 18 HA TYR 18 0.801 -6.279 2.795 144 HB2 TYR 18 HB2 TYR 18 -1.132 -7.579 1.990 145 HB3 TYR 18 HB1 TYR 18 -0.302 -7.868 0.466 146 HD1 TYR 18 HD1 TYR 18 1.275 -9.627 0.251 147 HD2 TYR 18 HD2 TYR 18 -0.207 -8.576 4.097 148 HE1 TYR 18 HE1 TYR 18 2.290 -11.659 1.191 149 HE2 TYR 18 HE2 TYR 18 0.805 -10.605 5.047 150 HH TYR 18 HH TYR 18 1.521 -12.829 4.274 151 H HIS 19 HN HIS 19 1.191 -6.780 -0.721 152 HA HIS 19 HA HIS 19 3.775 -7.894 -0.447 153 HB2 HIS 19 HB2 HIS 19 2.265 -6.826 -2.820 154 HB3 HIS 19 HB1 HIS 19 3.904 -7.450 -2.965 155 HD1 HIS 19 HD1 HIS 19 4.228 -9.978 -2.842 156 HD2 HIS 19 HD2 HIS 19 0.295 -8.778 -2.230 157 HE1 HIS 19 HE1 HIS 19 2.854 -12.081 -2.937 158 HE2 HIS 19 HE2 HIS 19 0.517 -11.351 -2.353 159 H LEU 20 HN LEU 20 2.699 -4.624 -1.264 160 HA LEU 20 HA LEU 20 5.261 -3.594 -1.806 161 HB2 LEU 20 HB2 LEU 20 3.505 -2.426 -2.751 162 HB3 LEU 20 HB1 LEU 20 2.521 -2.535 -1.313 163 HG LEU 20 HG LEU 20 3.667 -0.768 -0.288 164 HD11 LEU 20 HD11 LEU 20 5.927 -1.319 -1.091 165 HD12 LEU 20 HD12 LEU 20 5.533 0.392 -1.284 166 HD13 LEU 20 HD13 LEU 20 5.484 -0.690 -2.678 167 HD21 LEU 20 HD21 LEU 20 3.106 -0.131 -3.159 168 HD22 LEU 20 HD22 LEU 20 3.322 1.068 -1.885 169 HD23 LEU 20 HD23 LEU 20 1.963 -0.062 -1.815 170 H GLU 21 HN GLU 21 3.376 -3.941 1.177 171 HA GLU 21 HA GLU 21 5.117 -2.485 2.857 172 HB2 GLU 21 HB2 GLU 21 2.954 -4.425 3.219 173 HB3 GLU 21 HB1 GLU 21 4.207 -4.553 4.449 174 HG2 GLU 21 HG2 GLU 21 3.917 -2.209 5.002 175 HG3 GLU 21 HG1 GLU 21 2.716 -2.044 3.723 176 H ASN 22 HN ASN 22 5.112 -5.867 1.800 177 HA ASN 22 HA ASN 22 7.426 -6.633 3.246 178 HB2 ASN 22 HB2 ASN 22 6.127 -7.784 0.776 179 HB3 ASN 22 HB1 ASN 22 7.569 -8.485 1.499 180 HD21 ASN 22 HD21 ASN 22 7.414 -9.404 3.581 181 HD22 ASN 22 HD22 ASN 22 5.894 -9.922 4.216 182 H GLU 23 HN GLU 23 6.927 -5.092 0.139 183 HA GLU 23 HA GLU 23 9.509 -5.411 -0.919 184 HB2 GLU 23 HB2 GLU 23 7.578 -3.115 -1.302 185 HB3 GLU 23 HB1 GLU 23 9.007 -3.403 -2.284 186 HG2 GLU 23 HG2 GLU 23 6.634 -5.236 -2.044 187 HG3 GLU 23 HG1 GLU 23 6.984 -4.160 -3.395 188 H VAL 24 HN VAL 24 8.144 -2.761 1.047 189 HA VAL 24 HA VAL 24 10.526 -1.288 1.250 190 HB VAL 24 HB VAL 24 8.121 -1.418 3.114 191 HG11 VAL 24 HG11 VAL 24 9.035 0.490 4.298 192 HG12 VAL 24 HG12 VAL 24 10.459 0.497 3.254 193 HG13 VAL 24 HG13 VAL 24 10.197 -0.837 4.383 194 HG21 VAL 24 HG21 VAL 24 7.812 0.881 2.260 195 HG22 VAL 24 HG22 VAL 24 7.689 -0.367 1.023 196 HG23 VAL 24 HG23 VAL 24 9.154 0.611 1.147 197 H ALA 25 HN ALA 25 9.181 -3.879 3.255 198 HA ALA 25 HA ALA 25 11.013 -3.859 5.345 199 HB1 ALA 25 HB1 ALA 25 9.625 -6.257 4.143 200 HB2 ALA 25 HB2 ALA 25 8.945 -5.177 5.360 201 HB3 ALA 25 HB3 ALA 25 10.347 -6.174 5.751 202 H ARG 26 HN ARG 26 11.157 -5.646 2.268 203 HA ARG 26 HA ARG 26 13.599 -6.945 2.718 204 HB2 ARG 26 HB2 ARG 26 12.335 -6.002 0.140 205 HB3 ARG 26 HB1 ARG 26 13.776 -7.006 0.208 206 HG2 ARG 26 HG2 ARG 26 12.471 -8.732 1.397 207 HG3 ARG 26 HG1 ARG 26 11.029 -7.731 1.202 208 HD2 ARG 26 HD2 ARG 26 11.226 -7.857 -1.204 209 HD3 ARG 26 HD1 ARG 26 12.736 -8.751 -1.062 210 HE ARG 26 HE ARG 26 10.222 -9.859 -0.001 211 HH11 ARG 26 HH11 ARG 26 13.011 -10.090 -2.111 212 HH12 ARG 26 HH12 ARG 26 12.688 -11.731 -2.568 213 HH21 ARG 26 HH21 ARG 26 9.790 -12.021 -0.623 214 HH22 ARG 26 HH22 ARG 26 10.867 -12.828 -1.721 215 H LEU 27 HN LEU 27 12.986 -3.986 0.846 216 HA LEU 27 HA LEU 27 15.612 -3.353 0.225 217 HB2 LEU 27 HB2 LEU 27 13.138 -1.701 0.564 218 HB3 LEU 27 HB1 LEU 27 14.671 -0.933 0.260 219 HG LEU 27 HG LEU 27 14.824 -1.784 -1.920 220 HD11 LEU 27 HD11 LEU 27 12.560 -3.671 -1.287 221 HD12 LEU 27 HD12 LEU 27 14.258 -4.118 -1.452 222 HD13 LEU 27 HD13 LEU 27 13.373 -3.497 -2.843 223 HD21 LEU 27 HD21 LEU 27 12.613 -1.232 -2.910 224 HD22 LEU 27 HD22 LEU 27 13.236 -0.023 -1.791 225 HD23 LEU 27 HD23 LEU 27 11.965 -1.132 -1.275 226 H LYS 28 HN LYS 28 13.734 -2.526 3.088 227 HA LYS 28 HA LYS 28 15.411 -0.602 4.206 228 HB2 LYS 28 HB2 LYS 28 13.033 -1.572 4.895 229 HB3 LYS 28 HB1 LYS 28 14.007 -2.541 5.992 230 HG2 LYS 28 HG2 LYS 28 13.253 -0.594 7.149 231 HG3 LYS 28 HG1 LYS 28 14.993 -0.444 6.883 232 HD2 LYS 28 HD2 LYS 28 14.581 1.002 4.962 233 HD3 LYS 28 HD1 LYS 28 12.843 0.821 5.192 234 HE2 LYS 28 HE2 LYS 28 13.651 2.936 6.071 235 HE3 LYS 28 HE1 LYS 28 12.996 1.913 7.351 236 HZ1 LYS 28 HZ1 LYS 28 15.020 2.913 8.092 237 HZ2 LYS 28 HZ2 LYS 28 15.858 2.371 6.730 238 HZ3 LYS 28 HZ3 LYS 28 15.305 1.255 7.879 239 H LYS 29 HN LYS 29 15.467 -4.122 4.447 240 HA LYS 29 HA LYS 29 17.616 -4.194 6.341 241 HB2 LYS 29 HB2 LYS 29 15.936 -5.987 6.196 242 HB3 LYS 29 HB1 LYS 29 16.467 -6.364 4.567 243 HG2 LYS 29 HG2 LYS 29 18.496 -6.480 6.730 244 HG3 LYS 29 HG1 LYS 29 17.262 -7.742 6.688 245 HD2 LYS 29 HD2 LYS 29 18.977 -6.986 4.321 246 HD3 LYS 29 HD1 LYS 29 19.379 -8.284 5.454 247 HE2 LYS 29 HE2 LYS 29 16.883 -8.124 3.761 248 HE3 LYS 29 HE1 LYS 29 18.282 -9.142 3.436 249 HZ1 LYS 29 HZ1 LYS 29 16.522 -9.326 5.818 250 HZ2 LYS 29 HZ2 LYS 29 17.875 -10.295 5.524 251 HZ3 LYS 29 HZ3 LYS 29 16.528 -10.394 4.508 252 H LEU 30 HN LEU 30 17.338 -4.098 2.897 253 HA LEU 30 HA LEU 30 19.998 -4.969 2.316 254 HB2 LEU 30 HB2 LEU 30 17.745 -3.819 0.748 255 HB3 LEU 30 HB1 LEU 30 19.358 -3.697 0.073 256 HG LEU 30 HG LEU 30 19.563 -6.176 0.309 257 HD11 LEU 30 HD11 LEU 30 16.620 -6.037 0.893 258 HD12 LEU 30 HD12 LEU 30 17.882 -6.550 2.013 259 HD13 LEU 30 HD13 LEU 30 17.545 -7.503 0.567 260 HD21 LEU 30 HD21 LEU 30 17.312 -5.172 -1.416 261 HD22 LEU 30 HD22 LEU 30 18.203 -6.675 -1.652 262 HD23 LEU 30 HD23 LEU 30 19.027 -5.124 -1.819 263 H VAL 31 HN VAL 31 18.396 -1.864 2.774 264 HA VAL 31 HA VAL 31 20.763 -0.314 2.327 265 HB VAL 31 HB VAL 31 18.332 0.414 3.990 266 HG11 VAL 31 HG11 VAL 31 19.018 2.733 3.556 267 HG12 VAL 31 HG12 VAL 31 20.463 2.144 2.735 268 HG13 VAL 31 HG13 VAL 31 20.242 1.841 4.458 269 HG21 VAL 31 HG21 VAL 31 17.684 -0.149 1.710 270 HG22 VAL 31 HG22 VAL 31 18.897 0.964 1.078 271 HG23 VAL 31 HG23 VAL 31 17.525 1.583 1.998 272 H GLY 32 HN GLY 32 19.410 -2.155 4.883 273 HA2 GLY 32 HA2 GLY 32 20.583 -3.088 6.653 274 HA3 GLY 32 HA1 GLY 32 21.893 -1.948 6.366 275 H GLU 33 HN GLU 33 18.528 -1.037 6.710 276 HA GLU 33 HA GLU 33 19.197 0.164 9.323 277 HB2 GLU 33 HB2 GLU 33 17.660 1.417 7.045 278 HB3 GLU 33 HB1 GLU 33 17.683 2.069 8.676 279 HG2 GLU 33 HG2 GLU 33 20.130 1.668 6.972 280 HG3 GLU 33 HG1 GLU 33 19.246 3.187 7.113 281 H1 GLY 1 HT1 GLY 1 -25.640 5.070 6.262 282 H2 GLY 1 HT2 GLY 1 -24.106 4.520 6.713 283 H3 GLY 1 HT3 GLY 1 -25.312 3.411 6.299 284 HA2 GLY 1 HA1 GLY 1 -25.325 4.193 4.031 285 HA3 GLY 1 HA2 GLY 1 -24.110 5.391 4.451 286 H SER 2 HN SER 2 -23.542 3.708 2.414 287 HA SER 2 HA SER 2 -21.569 1.892 3.627 288 HB2 SER 2 HB2 SER 2 -21.899 0.507 1.486 289 HB3 SER 2 HB1 SER 2 -23.174 0.433 2.705 290 HG SER 2 HG SER 2 -23.982 0.753 0.565 291 H MET 3 HN MET 3 -22.388 3.560 0.601 292 HA MET 3 HA MET 3 -20.095 3.143 -0.806 293 HB2 MET 3 HB2 MET 3 -21.822 5.614 -0.823 294 HB3 MET 3 HB1 MET 3 -20.624 5.227 -2.051 295 HG2 MET 3 HG2 MET 3 -23.065 3.601 -1.382 296 HG3 MET 3 HG1 MET 3 -22.861 4.644 -2.787 297 HE1 MET 3 HE1 MET 3 -21.105 4.202 -4.697 298 HE2 MET 3 HE2 MET 3 -20.077 2.773 -4.797 299 HE3 MET 3 HE3 MET 3 -19.775 3.991 -3.560 300 H LYS 4 HN LYS 4 -20.651 6.066 1.201 301 HA LYS 4 HA LYS 4 -18.107 7.148 0.576 302 HB2 LYS 4 HB2 LYS 4 -20.114 7.821 2.720 303 HB3 LYS 4 HB1 LYS 4 -18.621 8.721 2.495 304 HG2 LYS 4 HG2 LYS 4 -20.728 8.363 0.375 305 HG3 LYS 4 HG1 LYS 4 -20.592 9.772 1.430 306 HD2 LYS 4 HD2 LYS 4 -18.357 10.223 0.548 307 HD3 LYS 4 HD1 LYS 4 -18.468 8.798 -0.484 308 HE2 LYS 4 HE2 LYS 4 -20.320 11.172 -0.616 309 HE3 LYS 4 HE1 LYS 4 -18.940 10.911 -1.681 310 HZ1 LYS 4 HZ1 LYS 4 -19.978 8.862 -2.449 311 HZ2 LYS 4 HZ2 LYS 4 -20.986 10.191 -2.719 312 HZ3 LYS 4 HZ3 LYS 4 -21.309 9.136 -1.441 313 H GLN 5 HN GLN 5 -19.089 4.870 2.934 314 HA GLN 5 HA GLN 5 -16.857 5.413 4.708 315 HB2 GLN 5 HB2 GLN 5 -19.167 3.473 4.864 316 HB3 GLN 5 HB1 GLN 5 -17.826 3.431 5.997 317 HG2 GLN 5 HG2 GLN 5 -19.578 4.628 7.033 318 HG3 GLN 5 HG1 GLN 5 -18.348 5.802 6.582 319 HE21 GLN 5 HE21 GLN 5 -20.643 4.341 4.370 320 HE22 GLN 5 HE22 GLN 5 -21.515 5.794 4.021 321 H LEU 6 HN LEU 6 -18.099 2.865 2.618 322 HA LEU 6 HA LEU 6 -15.889 1.136 2.796 323 HB2 LEU 6 HB2 LEU 6 -18.072 1.597 0.813 324 HB3 LEU 6 HB1 LEU 6 -16.694 0.648 0.313 325 HG LEU 6 HG LEU 6 -18.660 -0.689 1.073 326 HD11 LEU 6 HD11 LEU 6 -16.205 -1.084 2.778 327 HD12 LEU 6 HD12 LEU 6 -16.349 -1.578 1.093 328 HD13 LEU 6 HD13 LEU 6 -17.392 -2.303 2.317 329 HD21 LEU 6 HD21 LEU 6 -19.430 0.747 2.875 330 HD22 LEU 6 HD22 LEU 6 -17.949 0.433 3.779 331 HD23 LEU 6 HD23 LEU 6 -19.090 -0.877 3.474 332 H GLU 7 HN GLU 7 -16.700 3.732 0.517 333 HA GLU 7 HA GLU 7 -14.327 3.721 -0.958 334 HB2 GLU 7 HB2 GLU 7 -16.372 4.989 -1.572 335 HB3 GLU 7 HB1 GLU 7 -16.044 6.111 -0.261 336 HG2 GLU 7 HG2 GLU 7 -15.338 7.071 -2.345 337 HG3 GLU 7 HG1 GLU 7 -13.927 6.730 -1.347 338 H ASP 8 HN ASP 8 -15.142 5.270 2.137 339 HA ASP 8 HA ASP 8 -12.758 6.743 2.431 340 HB2 ASP 8 HB2 ASP 8 -14.751 5.637 4.346 341 HB3 ASP 8 HB1 ASP 8 -13.190 6.134 4.991 342 H LYS 9 HN LYS 9 -13.504 3.397 3.334 343 HA LYS 9 HA LYS 9 -11.032 2.798 4.521 344 HB2 LYS 9 HB2 LYS 9 -12.942 0.952 3.077 345 HB3 LYS 9 HB1 LYS 9 -11.624 0.431 4.117 346 HG2 LYS 9 HG2 LYS 9 -14.033 2.033 4.959 347 HG3 LYS 9 HG1 LYS 9 -13.737 0.326 5.296 348 HD2 LYS 9 HD2 LYS 9 -11.741 0.942 6.590 349 HD3 LYS 9 HD1 LYS 9 -12.065 2.645 6.266 350 HE2 LYS 9 HE2 LYS 9 -12.864 2.078 8.467 351 HE3 LYS 9 HE1 LYS 9 -14.234 2.420 7.413 352 HZ1 LYS 9 HZ1 LYS 9 -14.576 0.455 8.810 353 HZ2 LYS 9 HZ2 LYS 9 -13.250 -0.300 8.084 354 HZ3 LYS 9 HZ3 LYS 9 -14.621 0.074 7.164 355 H VAL 10 HN VAL 10 -12.144 2.438 1.180 356 HA VAL 10 HA VAL 10 -9.885 1.177 0.114 357 HB VAL 10 HB VAL 10 -11.446 3.247 -1.414 358 HG11 VAL 10 HG11 VAL 10 -9.532 2.255 -2.535 359 HG12 VAL 10 HG12 VAL 10 -11.042 1.761 -3.302 360 HG13 VAL 10 HG13 VAL 10 -10.188 0.642 -2.235 361 HG21 VAL 10 HG21 VAL 10 -13.006 1.725 -0.169 362 HG22 VAL 10 HG22 VAL 10 -12.329 0.397 -1.114 363 HG23 VAL 10 HG23 VAL 10 -13.170 1.715 -1.924 364 H GLU 11 HN GLU 11 -10.666 4.624 0.401 365 HA GLU 11 HA GLU 11 -8.299 5.522 -0.908 366 HB2 GLU 11 HB2 GLU 11 -10.321 6.872 -0.876 367 HB3 GLU 11 HB1 GLU 11 -10.298 6.947 0.877 368 HG2 GLU 11 HG2 GLU 11 -9.549 9.035 0.010 369 HG3 GLU 11 HG1 GLU 11 -8.176 8.216 0.748 370 H GLU 12 HN GLU 12 -9.099 4.857 2.463 371 HA GLU 12 HA GLU 12 -6.909 6.193 3.640 372 HB2 GLU 12 HB2 GLU 12 -8.517 3.808 4.552 373 HB3 GLU 12 HB1 GLU 12 -7.234 4.518 5.523 374 HG2 GLU 12 HG2 GLU 12 -8.428 6.635 5.573 375 HG3 GLU 12 HG1 GLU 12 -9.704 5.949 4.570 376 H LEU 13 HN LEU 13 -7.341 2.847 2.554 377 HA LEU 13 HA LEU 13 -4.678 2.034 3.044 378 HB2 LEU 13 HB2 LEU 13 -6.641 1.023 0.986 379 HB3 LEU 13 HB1 LEU 13 -5.161 0.211 1.461 380 HG LEU 13 HG LEU 13 -7.538 0.722 3.250 381 HD11 LEU 13 HD11 LEU 13 -6.483 -1.810 2.008 382 HD12 LEU 13 HD12 LEU 13 -7.954 -0.960 1.538 383 HD13 LEU 13 HD13 LEU 13 -7.831 -1.692 3.137 384 HD21 LEU 13 HD21 LEU 13 -4.980 -0.793 3.768 385 HD22 LEU 13 HD22 LEU 13 -6.364 -0.694 4.857 386 HD23 LEU 13 HD23 LEU 13 -5.430 0.754 4.487 387 H LEU 14 HN LEU 14 -6.302 3.566 0.361 388 HA LEU 14 HA LEU 14 -4.262 3.466 -1.553 389 HB2 LEU 14 HB2 LEU 14 -6.752 4.254 -1.692 390 HB3 LEU 14 HB1 LEU 14 -6.089 5.822 -1.280 391 HG LEU 14 HG LEU 14 -4.582 5.642 -3.273 392 HD11 LEU 14 HD11 LEU 14 -5.114 3.995 -4.969 393 HD12 LEU 14 HD12 LEU 14 -6.354 3.303 -3.923 394 HD13 LEU 14 HD13 LEU 14 -4.651 3.192 -3.462 395 HD21 LEU 14 HD21 LEU 14 -6.654 6.941 -3.337 396 HD22 LEU 14 HD22 LEU 14 -7.544 5.498 -3.820 397 HD23 LEU 14 HD23 LEU 14 -6.322 6.180 -4.892 398 H SER 15 HN SER 15 -4.792 5.528 1.173 399 HA SER 15 HA SER 15 -2.997 7.591 0.398 400 HB2 SER 15 HB2 SER 15 -4.958 7.800 2.022 401 HB3 SER 15 HB1 SER 15 -3.931 6.997 3.209 402 HG SER 15 HG SER 15 -3.149 9.336 1.811 403 H LYS 16 HN LYS 16 -2.791 4.699 2.444 404 HA LYS 16 HA LYS 16 -0.025 5.276 2.993 405 HB2 LYS 16 HB2 LYS 16 0.086 3.303 4.275 406 HB3 LYS 16 HB1 LYS 16 -1.468 4.037 4.628 407 HG2 LYS 16 HG2 LYS 16 -2.532 2.406 3.098 408 HG3 LYS 16 HG1 LYS 16 -0.955 1.634 2.890 409 HD2 LYS 16 HD2 LYS 16 -0.874 1.408 5.408 410 HD3 LYS 16 HD1 LYS 16 -2.565 1.904 5.423 411 HE2 LYS 16 HE2 LYS 16 -3.065 -0.017 3.914 412 HE3 LYS 16 HE1 LYS 16 -1.388 -0.545 4.106 413 HZ1 LYS 16 HZ1 LYS 16 -2.898 -1.695 5.622 414 HZ2 LYS 16 HZ2 LYS 16 -3.343 -0.224 6.323 415 HZ3 LYS 16 HZ3 LYS 16 -1.753 -0.781 6.467 416 H ASN 17 HN ASN 17 -1.859 3.304 0.707 417 HA ASN 17 HA ASN 17 0.191 1.990 -0.652 418 HB2 ASN 17 HB2 ASN 17 -2.206 3.530 -1.711 419 HB3 ASN 17 HB1 ASN 17 -1.077 2.735 -2.792 420 HD21 ASN 17 HD21 ASN 17 -0.639 0.387 -1.314 421 HD22 ASN 17 HD22 ASN 17 -2.121 -0.504 -1.305 422 H TYR 18 HN TYR 18 -0.856 5.376 -0.831 423 HA TYR 18 HA TYR 18 0.958 6.221 -2.802 424 HB2 TYR 18 HB2 TYR 18 -0.996 7.536 -2.088 425 HB3 TYR 18 HB1 TYR 18 -0.234 7.825 -0.530 426 HD1 TYR 18 HD1 TYR 18 1.350 9.571 -0.250 427 HD2 TYR 18 HD2 TYR 18 0.017 8.521 -4.152 428 HE1 TYR 18 HE1 TYR 18 2.419 11.591 -1.154 429 HE2 TYR 18 HE2 TYR 18 1.085 10.536 -5.064 430 HH TYR 18 HH TYR 18 1.804 12.751 -4.284 431 H HIS 19 HN HIS 19 1.210 6.727 0.727 432 HA HIS 19 HA HIS 19 3.810 7.825 0.551 433 HB2 HIS 19 HB2 HIS 19 2.202 6.776 2.867 434 HB3 HIS 19 HB1 HIS 19 3.840 7.391 3.075 435 HD1 HIS 19 HD1 HIS 19 4.177 9.919 2.972 436 HD2 HIS 19 HD2 HIS 19 0.269 8.737 2.183 437 HE1 HIS 19 HE1 HIS 19 2.813 12.028 3.001 438 HE2 HIS 19 HE2 HIS 19 0.497 11.310 2.324 439 H LEU 20 HN LEU 20 2.679 4.566 1.329 440 HA LEU 20 HA LEU 20 5.209 3.518 1.978 441 HB2 LEU 20 HB2 LEU 20 3.409 2.365 2.855 442 HB3 LEU 20 HB1 LEU 20 2.487 2.476 1.380 443 HG LEU 20 HG LEU 20 3.658 0.698 0.406 444 HD11 LEU 20 HD11 LEU 20 5.887 1.234 1.298 445 HD12 LEU 20 HD12 LEU 20 5.473 -0.474 1.477 446 HD13 LEU 20 HD13 LEU 20 5.378 0.613 2.867 447 HD21 LEU 20 HD21 LEU 20 2.977 0.072 3.256 448 HD22 LEU 20 HD22 LEU 20 3.237 -1.131 1.994 449 HD23 LEU 20 HD23 LEU 20 1.891 0.007 1.865 450 H GLU 21 HN GLU 21 3.449 3.865 -1.081 451 HA GLU 21 HA GLU 21 5.249 2.396 -2.681 452 HB2 GLU 21 HB2 GLU 21 3.118 4.350 -3.136 453 HB3 GLU 21 HB1 GLU 21 4.419 4.465 -4.316 454 HG2 GLU 21 HG2 GLU 21 4.137 2.120 -4.869 455 HG3 GLU 21 HG1 GLU 21 2.886 1.968 -3.638 456 H ASN 22 HN ASN 22 5.227 5.778 -1.635 457 HA ASN 22 HA ASN 22 7.602 6.521 -2.989 458 HB2 ASN 22 HB2 ASN 22 6.199 7.694 -0.588 459 HB3 ASN 22 HB1 ASN 22 7.677 8.384 -1.249 460 HD21 ASN 22 HD21 ASN 22 7.630 9.303 -3.329 461 HD22 ASN 22 HD22 ASN 22 6.144 9.833 -4.034 462 H GLU 23 HN GLU 23 6.968 4.996 0.100 463 HA GLU 23 HA GLU 23 9.507 5.304 1.259 464 HB2 GLU 23 HB2 GLU 23 7.545 3.024 1.571 465 HB3 GLU 23 HB1 GLU 23 8.933 3.305 2.611 466 HG2 GLU 23 HG2 GLU 23 6.576 5.145 2.270 467 HG3 GLU 23 HG1 GLU 23 6.873 4.078 3.640 468 H VAL 24 HN VAL 24 8.200 2.655 -0.751 469 HA VAL 24 HA VAL 24 10.578 1.166 -0.853 470 HB VAL 24 HB VAL 24 8.253 1.307 -2.813 471 HG11 VAL 24 HG11 VAL 24 9.195 -0.611 -3.957 472 HG12 VAL 24 HG12 VAL 24 10.577 -0.627 -2.858 473 HG13 VAL 24 HG13 VAL 24 10.372 0.706 -4.000 474 HG21 VAL 24 HG21 VAL 24 7.892 -0.986 -1.969 475 HG22 VAL 24 HG22 VAL 24 7.727 0.267 -0.740 476 HG23 VAL 24 HG23 VAL 24 9.188 -0.723 -0.800 477 H ALA 25 HN ALA 25 9.336 3.762 -2.913 478 HA ALA 25 HA ALA 25 11.248 3.719 -4.933 479 HB1 ALA 25 HB1 ALA 25 9.830 6.132 -3.798 480 HB2 ALA 25 HB2 ALA 25 9.192 5.053 -5.038 481 HB3 ALA 25 HB3 ALA 25 10.617 6.039 -5.373 482 H ARG 26 HN ARG 26 11.281 5.510 -1.857 483 HA ARG 26 HA ARG 26 13.748 6.795 -2.216 484 HB2 ARG 26 HB2 ARG 26 12.376 5.873 0.312 485 HB3 ARG 26 HB1 ARG 26 13.825 6.867 0.298 486 HG2 ARG 26 HG2 ARG 26 12.583 8.598 -0.947 487 HG3 ARG 26 HG1 ARG 26 11.127 7.608 -0.810 488 HD2 ARG 26 HD2 ARG 26 11.222 7.739 1.602 489 HD3 ARG 26 HD1 ARG 26 12.744 8.618 1.522 490 HE ARG 26 HE ARG 26 10.289 9.749 0.360 491 HH11 ARG 26 HH11 ARG 26 13.008 9.965 2.560 492 HH12 ARG 26 HH12 ARG 26 12.667 11.600 3.021 493 HH21 ARG 26 HH21 ARG 26 9.839 11.904 0.964 494 HH22 ARG 26 HH22 ARG 26 10.872 12.708 2.106 495 H LEU 27 HN LEU 27 13.039 3.849 -0.360 496 HA LEU 27 HA LEU 27 15.633 3.199 0.371 497 HB2 LEU 27 HB2 LEU 27 13.161 1.565 -0.064 498 HB3 LEU 27 HB1 LEU 27 14.674 0.784 0.303 499 HG LEU 27 HG LEU 27 14.750 1.641 2.485 500 HD11 LEU 27 HD11 LEU 27 12.523 3.537 1.756 501 HD12 LEU 27 HD12 LEU 27 14.215 3.977 1.987 502 HD13 LEU 27 HD13 LEU 27 13.271 3.364 3.343 503 HD21 LEU 27 HD21 LEU 27 12.496 1.103 3.387 504 HD22 LEU 27 HD22 LEU 27 13.159 -0.112 2.298 505 HD23 LEU 27 HD23 LEU 27 11.915 1.000 1.728 506 H LYS 28 HN LYS 28 13.868 2.386 -2.567 507 HA LYS 28 HA LYS 28 15.573 0.440 -3.605 508 HB2 LYS 28 HB2 LYS 28 13.232 1.418 -4.395 509 HB3 LYS 28 HB1 LYS 28 14.253 2.379 -5.452 510 HG2 LYS 28 HG2 LYS 28 13.540 0.433 -6.637 511 HG3 LYS 28 HG1 LYS 28 15.265 0.274 -6.296 512 HD2 LYS 28 HD2 LYS 28 14.764 -1.166 -4.393 513 HD3 LYS 28 HD1 LYS 28 13.040 -0.975 -4.695 514 HE2 LYS 28 HE2 LYS 28 13.873 -3.099 -5.534 515 HE3 LYS 28 HE1 LYS 28 13.270 -2.079 -6.841 516 HZ1 LYS 28 HZ1 LYS 28 15.314 -3.085 -7.504 517 HZ2 LYS 28 HZ2 LYS 28 16.105 -2.548 -6.112 518 HZ3 LYS 28 HZ3 LYS 28 15.601 -1.430 -7.281 519 H LYS 29 HN LYS 29 15.666 3.956 -3.863 520 HA LYS 29 HA LYS 29 17.895 4.005 -5.660 521 HB2 LYS 29 HB2 LYS 29 16.221 5.809 -5.594 522 HB3 LYS 29 HB1 LYS 29 16.685 6.188 -3.946 523 HG2 LYS 29 HG2 LYS 29 18.804 6.288 -6.023 524 HG3 LYS 29 HG1 LYS 29 17.577 7.556 -6.033 525 HD2 LYS 29 HD2 LYS 29 19.191 6.799 -3.598 526 HD3 LYS 29 HD1 LYS 29 19.647 8.092 -4.718 527 HE2 LYS 29 HE2 LYS 29 17.085 7.947 -3.122 528 HE3 LYS 29 HE1 LYS 29 18.473 8.966 -2.754 529 HZ1 LYS 29 HZ1 LYS 29 16.789 9.138 -5.192 530 HZ2 LYS 29 HZ2 LYS 29 18.142 10.098 -4.872 531 HZ3 LYS 29 HZ3 LYS 29 16.770 10.218 -3.895 532 H LEU 30 HN LEU 30 17.472 3.930 -2.229 533 HA LEU 30 HA LEU 30 20.112 4.776 -1.545 534 HB2 LEU 30 HB2 LEU 30 17.791 3.648 -0.067 535 HB3 LEU 30 HB1 LEU 30 19.375 3.516 0.673 536 HG LEU 30 HG LEU 30 19.607 5.993 0.440 537 HD11 LEU 30 HD11 LEU 30 16.689 5.869 -0.261 538 HD12 LEU 30 HD12 LEU 30 17.996 6.371 -1.332 539 HD13 LEU 30 HD13 LEU 30 17.608 7.332 0.094 540 HD21 LEU 30 HD21 LEU 30 17.281 5.008 2.078 541 HD22 LEU 30 HD22 LEU 30 18.171 6.507 2.344 542 HD23 LEU 30 HD23 LEU 30 18.980 4.953 2.550 543 H VAL 31 HN VAL 31 18.506 1.682 -2.058 544 HA VAL 31 HA VAL 31 20.841 0.116 -1.512 545 HB VAL 31 HB VAL 31 18.475 -0.598 -3.272 546 HG11 VAL 31 HG11 VAL 31 19.125 -2.923 -2.805 547 HG12 VAL 31 HG12 VAL 31 20.540 -2.340 -1.932 548 HG13 VAL 31 HG13 VAL 31 20.390 -2.042 -3.662 549 HG21 VAL 31 HG21 VAL 31 17.739 -0.025 -1.023 550 HG22 VAL 31 HG22 VAL 31 18.918 -1.144 -0.340 551 HG23 VAL 31 HG23 VAL 31 17.580 -1.757 -1.310 552 H GLY 32 HN GLY 32 19.605 1.956 -4.131 553 HA2 GLY 32 HA2 GLY 32 20.863 2.878 -5.847 554 HA3 GLY 32 HA1 GLY 32 22.145 1.722 -5.511 555 H GLU 33 HN GLU 33 18.787 0.844 -5.985 556 HA GLU 33 HA GLU 33 19.547 -0.360 -8.570 557 HB2 GLU 33 HB2 GLU 33 17.915 -1.610 -6.355 558 HB3 GLU 33 HB1 GLU 33 18.008 -2.264 -7.984 559 HG2 GLU 33 HG2 GLU 33 20.376 -1.870 -6.168 560 HG3 GLU 33 HG1 GLU 33 19.496 -3.386 -6.352 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 -23.699 -5.890 -6.012 2 H2 GLY 1 HT2 GLY 1 -24.224 -4.608 -6.981 3 H3 GLY 1 HT3 GLY 1 -25.352 -5.611 -6.226 4 HA2 GLY 1 HA1 GLY 1 -25.185 -3.506 -5.069 5 HA3 GLY 1 HA2 GLY 1 -24.657 -4.845 -4.062 6 H SER 2 HN SER 2 -23.788 -2.543 -3.187 7 HA SER 2 HA SER 2 -21.242 -1.877 -4.431 8 HB2 SER 2 HB2 SER 2 -21.237 -0.113 -2.566 9 HB3 SER 2 HB1 SER 2 -22.481 0.034 -3.808 10 HG SER 2 HG SER 2 -23.557 0.240 -1.919 11 H MET 3 HN MET 3 -22.448 -3.749 -1.831 12 HA MET 3 HA MET 3 -20.540 -3.438 0.142 13 HB2 MET 3 HB2 MET 3 -22.661 -4.685 0.397 14 HB3 MET 3 HB1 MET 3 -21.993 -5.986 -0.571 15 HG2 MET 3 HG2 MET 3 -21.579 -6.836 1.478 16 HG3 MET 3 HG1 MET 3 -20.103 -5.897 1.280 17 HE1 MET 3 HE1 MET 3 -20.717 -2.794 3.546 18 HE2 MET 3 HE2 MET 3 -21.175 -2.826 1.847 19 HE3 MET 3 HE3 MET 3 -19.667 -3.579 2.366 20 H LYS 4 HN LYS 4 -20.545 -5.991 -2.373 21 HA LYS 4 HA LYS 4 -17.953 -6.872 -1.431 22 HB2 LYS 4 HB2 LYS 4 -18.196 -8.745 -2.887 23 HB3 LYS 4 HB1 LYS 4 -19.751 -8.473 -2.117 24 HG2 LYS 4 HG2 LYS 4 -20.561 -7.370 -4.145 25 HG3 LYS 4 HG1 LYS 4 -18.999 -7.653 -4.915 26 HD2 LYS 4 HD2 LYS 4 -19.333 -10.089 -4.579 27 HD3 LYS 4 HD1 LYS 4 -20.942 -9.745 -3.944 28 HE2 LYS 4 HE2 LYS 4 -21.151 -10.377 -6.242 29 HE3 LYS 4 HE1 LYS 4 -21.498 -8.655 -6.105 30 HZ1 LYS 4 HZ1 LYS 4 -19.259 -8.178 -6.884 31 HZ2 LYS 4 HZ2 LYS 4 -20.087 -9.134 -8.008 32 HZ3 LYS 4 HZ3 LYS 4 -18.923 -9.832 -7.001 33 H GLN 5 HN GLN 5 -19.041 -4.644 -3.682 34 HA GLN 5 HA GLN 5 -16.925 -5.081 -5.618 35 HB2 GLN 5 HB2 GLN 5 -19.145 -3.030 -5.510 36 HB3 GLN 5 HB1 GLN 5 -17.963 -3.146 -6.806 37 HG2 GLN 5 HG2 GLN 5 -19.978 -5.246 -6.037 38 HG3 GLN 5 HG1 GLN 5 -20.053 -4.186 -7.444 39 HE21 GLN 5 HE21 GLN 5 -18.641 -4.542 -9.166 40 HE22 GLN 5 HE22 GLN 5 -17.800 -6.041 -9.367 41 H LEU 6 HN LEU 6 -18.035 -2.589 -3.364 42 HA LEU 6 HA LEU 6 -15.753 -0.941 -3.615 43 HB2 LEU 6 HB2 LEU 6 -17.911 -1.264 -1.569 44 HB3 LEU 6 HB1 LEU 6 -16.486 -0.341 -1.156 45 HG LEU 6 HG LEU 6 -18.446 1.020 -1.909 46 HD11 LEU 6 HD11 LEU 6 -16.011 1.293 -3.664 47 HD12 LEU 6 HD12 LEU 6 -16.110 1.837 -1.991 48 HD13 LEU 6 HD13 LEU 6 -17.152 2.559 -3.214 49 HD21 LEU 6 HD21 LEU 6 -17.805 -0.176 -4.602 50 HD22 LEU 6 HD22 LEU 6 -18.935 1.144 -4.293 51 HD23 LEU 6 HD23 LEU 6 -19.267 -0.468 -3.660 52 H GLU 7 HN GLU 7 -16.666 -3.525 -1.369 53 HA GLU 7 HA GLU 7 -14.311 -3.553 0.146 54 HB2 GLU 7 HB2 GLU 7 -16.406 -4.774 0.725 55 HB3 GLU 7 HB1 GLU 7 -16.043 -5.930 -0.547 56 HG2 GLU 7 HG2 GLU 7 -13.955 -6.518 0.611 57 HG3 GLU 7 HG1 GLU 7 -14.384 -5.403 1.908 58 H ASP 8 HN ASP 8 -15.096 -5.024 -2.977 59 HA ASP 8 HA ASP 8 -12.848 -6.676 -3.237 60 HB2 ASP 8 HB2 ASP 8 -14.737 -5.420 -5.110 61 HB3 ASP 8 HB1 ASP 8 -13.151 -5.760 -5.795 62 H LYS 9 HN LYS 9 -13.206 -3.226 -3.945 63 HA LYS 9 HA LYS 9 -10.548 -2.965 -4.958 64 HB2 LYS 9 HB2 LYS 9 -12.470 -0.844 -3.980 65 HB3 LYS 9 HB1 LYS 9 -10.975 -0.529 -4.847 66 HG2 LYS 9 HG2 LYS 9 -11.876 -1.788 -6.783 67 HG3 LYS 9 HG1 LYS 9 -13.395 -1.978 -5.906 68 HD2 LYS 9 HD2 LYS 9 -12.130 0.662 -6.632 69 HD3 LYS 9 HD1 LYS 9 -13.431 -0.116 -7.531 70 HE2 LYS 9 HE2 LYS 9 -14.850 -0.014 -5.524 71 HE3 LYS 9 HE1 LYS 9 -13.549 0.813 -4.665 72 HZ1 LYS 9 HZ1 LYS 9 -14.928 1.825 -7.092 73 HZ2 LYS 9 HZ2 LYS 9 -13.689 2.617 -6.263 74 HZ3 LYS 9 HZ3 LYS 9 -15.183 2.375 -5.514 75 H VAL 10 HN VAL 10 -12.057 -2.457 -1.802 76 HA VAL 10 HA VAL 10 -9.936 -1.165 -0.510 77 HB VAL 10 HB VAL 10 -11.617 -3.249 0.865 78 HG11 VAL 10 HG11 VAL 10 -10.417 -0.653 1.802 79 HG12 VAL 10 HG12 VAL 10 -9.807 -2.273 2.158 80 HG13 VAL 10 HG13 VAL 10 -11.372 -1.760 2.791 81 HG21 VAL 10 HG21 VAL 10 -12.469 -0.395 0.559 82 HG22 VAL 10 HG22 VAL 10 -13.394 -1.752 1.200 83 HG23 VAL 10 HG23 VAL 10 -13.028 -1.668 -0.523 84 H GLU 11 HN GLU 11 -10.679 -4.632 -0.724 85 HA GLU 11 HA GLU 11 -8.305 -5.391 0.701 86 HB2 GLU 11 HB2 GLU 11 -10.199 -7.105 -0.928 87 HB3 GLU 11 HB1 GLU 11 -9.021 -7.682 0.242 88 HG2 GLU 11 HG2 GLU 11 -11.398 -5.942 0.863 89 HG3 GLU 11 HG1 GLU 11 -11.291 -7.679 1.142 90 H GLU 12 HN GLU 12 -9.019 -4.709 -2.593 91 HA GLU 12 HA GLU 12 -6.860 -6.231 -3.710 92 HB2 GLU 12 HB2 GLU 12 -8.820 -5.561 -5.064 93 HB3 GLU 12 HB1 GLU 12 -8.356 -3.876 -4.880 94 HG2 GLU 12 HG2 GLU 12 -6.278 -4.307 -6.068 95 HG3 GLU 12 HG1 GLU 12 -6.720 -6.004 -6.238 96 H LEU 13 HN LEU 13 -7.409 -2.840 -2.826 97 HA LEU 13 HA LEU 13 -4.748 -2.001 -3.309 98 HB2 LEU 13 HB2 LEU 13 -6.850 -0.916 -1.437 99 HB3 LEU 13 HB1 LEU 13 -5.310 -0.134 -1.735 100 HG LEU 13 HG LEU 13 -7.504 -0.594 -3.756 101 HD11 LEU 13 HD11 LEU 13 -7.951 1.197 -2.158 102 HD12 LEU 13 HD12 LEU 13 -7.651 1.836 -3.774 103 HD13 LEU 13 HD13 LEU 13 -6.393 1.929 -2.540 104 HD21 LEU 13 HD21 LEU 13 -4.790 0.681 -4.090 105 HD22 LEU 13 HD22 LEU 13 -6.087 0.714 -5.285 106 HD23 LEU 13 HD23 LEU 13 -5.343 -0.819 -4.835 107 H LEU 14 HN LEU 14 -6.321 -3.684 -0.739 108 HA LEU 14 HA LEU 14 -4.323 -3.481 1.247 109 HB2 LEU 14 HB2 LEU 14 -6.720 -4.338 1.451 110 HB3 LEU 14 HB1 LEU 14 -6.131 -5.840 0.773 111 HG LEU 14 HG LEU 14 -4.498 -5.956 2.698 112 HD11 LEU 14 HD11 LEU 14 -4.593 -3.598 3.345 113 HD12 LEU 14 HD12 LEU 14 -5.021 -4.660 4.686 114 HD13 LEU 14 HD13 LEU 14 -6.286 -3.798 3.808 115 HD21 LEU 14 HD21 LEU 14 -6.506 -7.325 2.607 116 HD22 LEU 14 HD22 LEU 14 -7.446 -6.015 3.322 117 HD23 LEU 14 HD23 LEU 14 -6.179 -6.804 4.259 118 H SER 15 HN SER 15 -4.650 -5.367 -1.630 119 HA SER 15 HA SER 15 -2.771 -7.401 -0.944 120 HB2 SER 15 HB2 SER 15 -4.582 -7.783 -2.592 121 HB3 SER 15 HB1 SER 15 -3.835 -6.602 -3.668 122 HG SER 15 HG SER 15 -2.686 -9.042 -2.771 123 H LYS 16 HN LYS 16 -2.678 -4.498 -3.007 124 HA LYS 16 HA LYS 16 0.120 -4.766 -3.470 125 HB2 LYS 16 HB2 LYS 16 0.056 -2.445 -4.306 126 HB3 LYS 16 HB1 LYS 16 -1.108 -3.503 -5.085 127 HG2 LYS 16 HG2 LYS 16 -2.889 -2.540 -3.690 128 HG3 LYS 16 HG1 LYS 16 -1.707 -1.460 -2.954 129 HD2 LYS 16 HD2 LYS 16 -2.303 -1.572 -5.907 130 HD3 LYS 16 HD1 LYS 16 -3.049 -0.429 -4.790 131 HE2 LYS 16 HE2 LYS 16 -0.910 0.541 -4.276 132 HE3 LYS 16 HE1 LYS 16 -0.078 -0.683 -5.235 133 HZ1 LYS 16 HZ1 LYS 16 -1.143 0.180 -7.211 134 HZ2 LYS 16 HZ2 LYS 16 -0.300 1.416 -6.429 135 HZ3 LYS 16 HZ3 LYS 16 -1.981 1.327 -6.301 136 H ASN 17 HN ASN 17 -1.825 -3.086 -1.065 137 HA ASN 17 HA ASN 17 0.184 -1.724 0.305 138 HB2 ASN 17 HB2 ASN 17 -2.455 -2.839 0.985 139 HB3 ASN 17 HB1 ASN 17 -1.348 -2.736 2.350 140 HD21 ASN 17 HD21 ASN 17 -3.819 -1.242 1.581 141 HD22 ASN 17 HD22 ASN 17 -3.365 0.424 1.656 142 H TYR 18 HN TYR 18 -0.797 -5.128 0.452 143 HA TYR 18 HA TYR 18 1.097 -5.923 2.394 144 HB2 TYR 18 HB2 TYR 18 -0.811 -7.332 1.694 145 HB3 TYR 18 HB1 TYR 18 -0.067 -7.542 0.114 146 HD1 TYR 18 HD1 TYR 18 1.783 -9.062 -0.194 147 HD2 TYR 18 HD2 TYR 18 0.131 -8.427 3.673 148 HE1 TYR 18 HE1 TYR 18 2.992 -11.031 0.636 149 HE2 TYR 18 HE2 TYR 18 1.339 -10.396 4.516 150 HH TYR 18 HH TYR 18 2.303 -12.505 3.571 151 H HIS 19 HN HIS 19 1.228 -5.862 -1.139 152 HA HIS 19 HA HIS 19 3.777 -6.980 -1.456 153 HB2 HIS 19 HB2 HIS 19 2.189 -6.766 -3.306 154 HB3 HIS 19 HB1 HIS 19 2.317 -5.013 -3.233 155 HD1 HIS 19 HD1 HIS 19 3.709 -4.161 -5.084 156 HD2 HIS 19 HD2 HIS 19 5.049 -7.851 -3.730 157 HE1 HIS 19 HE1 HIS 19 5.723 -4.700 -6.483 158 HE2 HIS 19 HE2 HIS 19 6.397 -7.021 -5.775 159 H LEU 20 HN LEU 20 2.801 -3.554 -1.365 160 HA LEU 20 HA LEU 20 5.361 -2.437 -1.678 161 HB2 LEU 20 HB2 LEU 20 3.096 -1.283 -0.060 162 HB3 LEU 20 HB1 LEU 20 4.409 -0.384 -0.782 163 HG LEU 20 HG LEU 20 2.095 -1.692 -2.109 164 HD11 LEU 20 HD11 LEU 20 1.653 0.492 -1.261 165 HD12 LEU 20 HD12 LEU 20 1.720 0.550 -3.021 166 HD13 LEU 20 HD13 LEU 20 3.085 1.130 -2.067 167 HD21 LEU 20 HD21 LEU 20 4.037 -2.244 -3.455 168 HD22 LEU 20 HD22 LEU 20 4.539 -0.553 -3.448 169 HD23 LEU 20 HD23 LEU 20 3.056 -1.029 -4.275 170 H GLU 21 HN GLU 21 3.445 -3.024 1.220 171 HA GLU 21 HA GLU 21 5.230 -2.021 3.104 172 HB2 GLU 21 HB2 GLU 21 2.762 -2.993 3.284 173 HB3 GLU 21 HB1 GLU 21 3.627 -4.423 3.829 174 HG2 GLU 21 HG2 GLU 21 4.732 -3.048 5.557 175 HG3 GLU 21 HG1 GLU 21 3.753 -1.672 5.037 176 H ASN 22 HN ASN 22 4.906 -5.372 1.947 177 HA ASN 22 HA ASN 22 7.076 -6.363 3.481 178 HB2 ASN 22 HB2 ASN 22 5.549 -7.415 1.121 179 HB3 ASN 22 HB1 ASN 22 7.002 -8.239 1.673 180 HD21 ASN 22 HD21 ASN 22 6.997 -9.278 3.649 181 HD22 ASN 22 HD22 ASN 22 5.539 -9.621 4.511 182 H GLU 23 HN GLU 23 6.833 -4.912 0.283 183 HA GLU 23 HA GLU 23 9.469 -5.557 -0.544 184 HB2 GLU 23 HB2 GLU 23 7.621 -4.746 -2.046 185 HB3 GLU 23 HB1 GLU 23 7.856 -3.138 -1.374 186 HG2 GLU 23 HG2 GLU 23 8.990 -3.330 -3.491 187 HG3 GLU 23 HG1 GLU 23 10.166 -3.145 -2.190 188 H VAL 24 HN VAL 24 8.083 -2.780 1.166 189 HA VAL 24 HA VAL 24 10.394 -1.216 1.382 190 HB VAL 24 HB VAL 24 8.183 -1.477 3.440 191 HG11 VAL 24 HG11 VAL 24 10.170 0.743 2.966 192 HG12 VAL 24 HG12 VAL 24 10.185 -0.391 4.320 193 HG13 VAL 24 HG13 VAL 24 8.860 0.762 4.149 194 HG21 VAL 24 HG21 VAL 24 8.448 0.460 1.144 195 HG22 VAL 24 HG22 VAL 24 7.181 0.472 2.370 196 HG23 VAL 24 HG23 VAL 24 7.303 -0.877 1.240 197 H ALA 25 HN ALA 25 9.100 -3.718 3.544 198 HA ALA 25 HA ALA 25 11.035 -3.549 5.552 199 HB1 ALA 25 HB1 ALA 25 8.918 -4.770 5.799 200 HB2 ALA 25 HB2 ALA 25 10.301 -5.784 6.217 201 HB3 ALA 25 HB3 ALA 25 9.494 -5.990 4.662 202 H ARG 26 HN ARG 26 10.997 -5.387 2.547 203 HA ARG 26 HA ARG 26 13.356 -6.872 3.006 204 HB2 ARG 26 HB2 ARG 26 11.697 -7.420 1.260 205 HB3 ARG 26 HB1 ARG 26 12.153 -5.967 0.382 206 HG2 ARG 26 HG2 ARG 26 14.412 -6.858 0.082 207 HG3 ARG 26 HG1 ARG 26 13.944 -8.320 0.955 208 HD2 ARG 26 HD2 ARG 26 12.774 -7.324 -1.641 209 HD3 ARG 26 HD1 ARG 26 13.853 -8.705 -1.440 210 HE ARG 26 HE ARG 26 11.793 -9.349 0.166 211 HH11 ARG 26 HH11 ARG 26 11.925 -8.270 -3.161 212 HH12 ARG 26 HH12 ARG 26 10.491 -9.131 -3.624 213 HH21 ARG 26 HH21 ARG 26 9.909 -10.467 -0.434 214 HH22 ARG 26 HH22 ARG 26 9.334 -10.371 -2.070 215 H LEU 27 HN LEU 27 12.794 -3.879 1.165 216 HA LEU 27 HA LEU 27 15.476 -3.392 0.483 217 HB2 LEU 27 HB2 LEU 27 12.995 -1.758 0.610 218 HB3 LEU 27 HB1 LEU 27 14.519 -0.914 0.534 219 HG LEU 27 HG LEU 27 15.020 -1.741 -1.610 220 HD11 LEU 27 HD11 LEU 27 12.712 -3.661 -1.330 221 HD12 LEU 27 HD12 LEU 27 14.422 -4.085 -1.257 222 HD13 LEU 27 HD13 LEU 27 13.732 -3.462 -2.754 223 HD21 LEU 27 HD21 LEU 27 12.067 -1.187 -1.477 224 HD22 LEU 27 HD22 LEU 27 13.048 -1.142 -2.942 225 HD23 LEU 27 HD23 LEU 27 13.356 0.004 -1.638 226 H LYS 28 HN LYS 28 13.582 -2.521 3.309 227 HA LYS 28 HA LYS 28 15.358 -0.651 4.411 228 HB2 LYS 28 HB2 LYS 28 12.994 -0.969 5.115 229 HB3 LYS 28 HB1 LYS 28 13.453 -2.478 5.885 230 HG2 LYS 28 HG2 LYS 28 13.302 -0.839 7.585 231 HG3 LYS 28 HG1 LYS 28 15.013 -1.168 7.337 232 HD2 LYS 28 HD2 LYS 28 13.807 1.061 5.789 233 HD3 LYS 28 HD1 LYS 28 14.044 1.307 7.519 234 HE2 LYS 28 HE2 LYS 28 16.176 0.526 5.530 235 HE3 LYS 28 HE1 LYS 28 15.950 2.125 6.227 236 HZ1 LYS 28 HZ1 LYS 28 16.665 -0.347 7.708 237 HZ2 LYS 28 HZ2 LYS 28 16.384 1.162 8.417 238 HZ3 LYS 28 HZ3 LYS 28 17.694 0.954 7.368 239 H LYS 29 HN LYS 29 15.334 -4.143 4.446 240 HA LYS 29 HA LYS 29 17.267 -4.446 6.529 241 HB2 LYS 29 HB2 LYS 29 16.432 -6.322 4.314 242 HB3 LYS 29 HB1 LYS 29 17.512 -6.761 5.629 243 HG2 LYS 29 HG2 LYS 29 14.652 -5.873 5.936 244 HG3 LYS 29 HG1 LYS 29 15.231 -7.543 6.006 245 HD2 LYS 29 HD2 LYS 29 16.682 -6.886 7.927 246 HD3 LYS 29 HD1 LYS 29 15.911 -5.290 7.897 247 HE2 LYS 29 HE2 LYS 29 14.860 -6.692 9.573 248 HE3 LYS 29 HE1 LYS 29 13.729 -6.359 8.261 249 HZ1 LYS 29 HZ1 LYS 29 15.314 -8.854 8.550 250 HZ2 LYS 29 HZ2 LYS 29 14.165 -8.537 7.350 251 HZ3 LYS 29 HZ3 LYS 29 13.684 -8.684 8.964 252 H LEU 30 HN LEU 30 17.396 -4.081 3.049 253 HA LEU 30 HA LEU 30 20.210 -4.581 2.858 254 HB2 LEU 30 HB2 LEU 30 18.148 -3.505 0.966 255 HB3 LEU 30 HB1 LEU 30 19.852 -3.395 0.570 256 HG LEU 30 HG LEU 30 20.010 -5.876 0.802 257 HD11 LEU 30 HD11 LEU 30 17.007 -5.733 0.960 258 HD12 LEU 30 HD12 LEU 30 18.092 -6.243 2.254 259 HD13 LEU 30 HD13 LEU 30 17.970 -7.200 0.777 260 HD21 LEU 30 HD21 LEU 30 18.914 -6.370 -1.326 261 HD22 LEU 30 HD22 LEU 30 19.780 -4.835 -1.380 262 HD23 LEU 30 HD23 LEU 30 18.023 -4.852 -1.218 263 H VAL 31 HN VAL 31 18.167 -1.780 3.278 264 HA VAL 31 HA VAL 31 20.516 -0.040 3.484 265 HB VAL 31 HB VAL 31 17.643 0.784 3.936 266 HG11 VAL 31 HG11 VAL 31 19.345 2.356 4.690 267 HG12 VAL 31 HG12 VAL 31 18.458 3.001 3.310 268 HG13 VAL 31 HG13 VAL 31 20.080 2.346 3.086 269 HG21 VAL 31 HG21 VAL 31 19.129 0.773 1.312 270 HG22 VAL 31 HG22 VAL 31 17.542 1.488 1.598 271 HG23 VAL 31 HG23 VAL 31 17.761 -0.257 1.737 272 H GLY 32 HN GLY 32 20.145 -2.209 5.277 273 HA2 GLY 32 HA2 GLY 32 19.824 -0.767 7.819 274 HA3 GLY 32 HA1 GLY 32 18.960 -2.276 7.551 275 H GLU 33 HN GLU 33 20.702 -3.917 6.425 276 HA GLU 33 HA GLU 33 22.857 -4.109 8.415 277 HB2 GLU 33 HB2 GLU 33 21.508 -6.278 6.794 278 HB3 GLU 33 HB1 GLU 33 22.829 -6.538 7.925 279 HG2 GLU 33 HG2 GLU 33 21.438 -5.793 9.762 280 HG3 GLU 33 HG1 GLU 33 20.120 -5.442 8.647 281 H1 GLY 1 HT1 GLY 1 -23.876 6.040 5.000 282 H2 GLY 1 HT2 GLY 1 -24.457 4.775 5.957 283 H3 GLY 1 HT3 GLY 1 -25.541 5.785 5.146 284 HA2 GLY 1 HA1 GLY 1 -25.356 3.670 4.011 285 HA3 GLY 1 HA2 GLY 1 -24.757 4.989 3.017 286 H SER 2 HN SER 2 -23.869 2.687 2.189 287 HA SER 2 HA SER 2 -21.389 2.002 3.550 288 HB2 SER 2 HB2 SER 2 -21.323 0.220 1.703 289 HB3 SER 2 HB1 SER 2 -22.622 0.094 2.892 290 HG SER 2 HG SER 2 -23.645 -0.094 0.983 291 H MET 3 HN MET 3 -22.481 3.861 0.895 292 HA MET 3 HA MET 3 -20.501 3.521 -1.004 293 HB2 MET 3 HB2 MET 3 -22.604 4.773 -1.358 294 HB3 MET 3 HB1 MET 3 -21.972 6.082 -0.371 295 HG2 MET 3 HG2 MET 3 -21.466 6.914 -2.405 296 HG3 MET 3 HG1 MET 3 -20.006 5.965 -2.143 297 HE1 MET 3 HE1 MET 3 -20.556 2.850 -4.407 298 HE2 MET 3 HE2 MET 3 -21.084 2.900 -2.727 299 HE3 MET 3 HE3 MET 3 -19.549 3.637 -3.189 300 H LYS 4 HN LYS 4 -20.590 6.089 1.495 301 HA LYS 4 HA LYS 4 -17.958 6.954 0.649 302 HB2 LYS 4 HB2 LYS 4 -18.248 8.835 2.087 303 HB3 LYS 4 HB1 LYS 4 -19.770 8.570 1.256 304 HG2 LYS 4 HG2 LYS 4 -20.672 7.486 3.251 305 HG3 LYS 4 HG1 LYS 4 -19.141 7.759 4.085 306 HD2 LYS 4 HD2 LYS 4 -19.438 10.196 3.725 307 HD3 LYS 4 HD1 LYS 4 -21.021 9.865 3.022 308 HE2 LYS 4 HE2 LYS 4 -21.332 10.507 5.304 309 HE3 LYS 4 HE1 LYS 4 -21.679 8.785 5.162 310 HZ1 LYS 4 HZ1 LYS 4 -19.478 8.303 6.040 311 HZ2 LYS 4 HZ2 LYS 4 -20.346 9.273 7.120 312 HZ3 LYS 4 HZ3 LYS 4 -19.138 9.955 6.158 313 H GLN 5 HN GLN 5 -19.147 4.742 2.861 314 HA GLN 5 HA GLN 5 -17.111 5.180 4.882 315 HB2 GLN 5 HB2 GLN 5 -19.337 3.142 4.702 316 HB3 GLN 5 HB1 GLN 5 -18.208 3.264 6.042 317 HG2 GLN 5 HG2 GLN 5 -20.166 5.376 5.178 318 HG3 GLN 5 HG1 GLN 5 -20.317 4.321 6.583 319 HE21 GLN 5 HE21 GLN 5 -18.975 4.658 8.361 320 HE22 GLN 5 HE22 GLN 5 -18.144 6.154 8.605 321 H LEU 6 HN LEU 6 -18.143 2.682 2.603 322 HA LEU 6 HA LEU 6 -15.885 1.021 2.962 323 HB2 LEU 6 HB2 LEU 6 -17.955 1.344 0.828 324 HB3 LEU 6 HB1 LEU 6 -16.520 0.412 0.476 325 HG LEU 6 HG LEU 6 -18.517 -0.934 1.158 326 HD11 LEU 6 HD11 LEU 6 -16.156 -1.212 3.011 327 HD12 LEU 6 HD12 LEU 6 -16.195 -1.768 1.338 328 HD13 LEU 6 HD13 LEU 6 -17.289 -2.473 2.528 329 HD21 LEU 6 HD21 LEU 6 -17.980 0.279 3.865 330 HD22 LEU 6 HD22 LEU 6 -19.104 -1.036 3.522 331 HD23 LEU 6 HD23 LEU 6 -19.400 0.573 2.862 332 H GLU 7 HN GLU 7 -16.689 3.594 0.660 333 HA GLU 7 HA GLU 7 -14.276 3.597 -0.755 334 HB2 GLU 7 HB2 GLU 7 -16.337 4.827 -1.427 335 HB3 GLU 7 HB1 GLU 7 -16.016 5.992 -0.149 336 HG2 GLU 7 HG2 GLU 7 -13.882 6.555 -1.227 337 HG3 GLU 7 HG1 GLU 7 -14.264 5.433 -2.531 338 H ASP 8 HN ASP 8 -15.176 5.098 2.323 339 HA ASP 8 HA ASP 8 -12.932 6.737 2.661 340 HB2 ASP 8 HB2 ASP 8 -14.899 5.503 4.465 341 HB3 ASP 8 HB1 ASP 8 -13.343 5.851 5.211 342 H LYS 9 HN LYS 9 -13.334 3.296 3.377 343 HA LYS 9 HA LYS 9 -10.722 3.026 4.496 344 HB2 LYS 9 HB2 LYS 9 -12.618 0.909 3.457 345 HB3 LYS 9 HB1 LYS 9 -11.161 0.590 4.384 346 HG2 LYS 9 HG2 LYS 9 -12.127 1.864 6.275 347 HG3 LYS 9 HG1 LYS 9 -13.609 2.063 5.338 348 HD2 LYS 9 HD2 LYS 9 -12.397 -0.582 6.132 349 HD3 LYS 9 HD1 LYS 9 -13.729 0.210 6.970 350 HE2 LYS 9 HE2 LYS 9 -15.064 0.100 4.905 351 HE3 LYS 9 HE1 LYS 9 -13.733 -0.738 4.107 352 HZ1 LYS 9 HZ1 LYS 9 -15.215 -1.720 6.482 353 HZ2 LYS 9 HZ2 LYS 9 -13.944 -2.527 5.715 354 HZ3 LYS 9 HZ3 LYS 9 -15.405 -2.286 4.903 355 H VAL 10 HN VAL 10 -12.106 2.499 1.288 356 HA VAL 10 HA VAL 10 -9.943 1.188 0.088 357 HB VAL 10 HB VAL 10 -11.560 3.273 -1.363 358 HG11 VAL 10 HG11 VAL 10 -10.337 0.667 -2.241 359 HG12 VAL 10 HG12 VAL 10 -9.706 2.281 -2.580 360 HG13 VAL 10 HG13 VAL 10 -11.248 1.774 -3.270 361 HG21 VAL 10 HG21 VAL 10 -12.441 0.426 -1.076 362 HG22 VAL 10 HG22 VAL 10 -13.329 1.786 -1.759 363 HG23 VAL 10 HG23 VAL 10 -13.033 1.709 -0.022 364 H GLU 11 HN GLU 11 -10.675 4.662 0.260 365 HA GLU 11 HA GLU 11 -8.243 5.395 -1.085 366 HB2 GLU 11 HB2 GLU 11 -10.188 7.130 0.456 367 HB3 GLU 11 HB1 GLU 11 -8.959 7.692 -0.667 368 HG2 GLU 11 HG2 GLU 11 -11.321 5.967 -1.378 369 HG3 GLU 11 HG1 GLU 11 -11.190 7.701 -1.659 370 H GLU 12 HN GLU 12 -9.093 4.743 2.184 371 HA GLU 12 HA GLU 12 -6.967 6.256 3.374 372 HB2 GLU 12 HB2 GLU 12 -8.981 5.608 4.654 373 HB3 GLU 12 HB1 GLU 12 -8.522 3.919 4.499 374 HG2 GLU 12 HG2 GLU 12 -6.492 4.341 5.773 375 HG3 GLU 12 HG1 GLU 12 -6.922 6.045 5.907 376 H LEU 13 HN LEU 13 -7.501 2.862 2.494 377 HA LEU 13 HA LEU 13 -4.868 2.011 3.086 378 HB2 LEU 13 HB2 LEU 13 -6.899 0.924 1.138 379 HB3 LEU 13 HB1 LEU 13 -5.377 0.136 1.502 380 HG LEU 13 HG LEU 13 -7.649 0.621 3.430 381 HD11 LEU 13 HD11 LEU 13 -8.044 -1.176 1.829 382 HD12 LEU 13 HD12 LEU 13 -7.812 -1.807 3.459 383 HD13 LEU 13 HD13 LEU 13 -6.508 -1.919 2.277 384 HD21 LEU 13 HD21 LEU 13 -4.959 -0.665 3.881 385 HD22 LEU 13 HD22 LEU 13 -6.303 -0.685 5.022 386 HD23 LEU 13 HD23 LEU 13 -5.533 0.842 4.594 387 H LEU 14 HN LEU 14 -6.326 3.689 0.450 388 HA LEU 14 HA LEU 14 -4.250 3.463 -1.457 389 HB2 LEU 14 HB2 LEU 14 -6.635 4.329 -1.766 390 HB3 LEU 14 HB1 LEU 14 -6.067 5.833 -1.074 391 HG LEU 14 HG LEU 14 -4.351 5.926 -2.929 392 HD11 LEU 14 HD11 LEU 14 -4.436 3.567 -3.567 393 HD12 LEU 14 HD12 LEU 14 -4.804 4.621 -4.932 394 HD13 LEU 14 HD13 LEU 14 -6.107 3.774 -4.098 395 HD21 LEU 14 HD21 LEU 14 -6.352 7.307 -2.926 396 HD22 LEU 14 HD22 LEU 14 -7.273 6.001 -3.671 397 HD23 LEU 14 HD23 LEU 14 -5.964 6.778 -4.562 398 H SER 15 HN SER 15 -4.685 5.368 1.392 399 HA SER 15 HA SER 15 -2.766 7.385 0.774 400 HB2 SER 15 HB2 SER 15 -4.640 7.787 2.341 401 HB3 SER 15 HB1 SER 15 -3.955 6.600 3.449 402 HG SER 15 HG SER 15 -2.746 9.035 2.614 403 H LYS 16 HN LYS 16 -2.772 4.492 2.851 404 HA LYS 16 HA LYS 16 0.008 4.752 3.431 405 HB2 LYS 16 HB2 LYS 16 -0.106 2.438 4.284 406 HB3 LYS 16 HB1 LYS 16 -1.298 3.508 5.007 407 HG2 LYS 16 HG2 LYS 16 -3.021 2.544 3.541 408 HG3 LYS 16 HG1 LYS 16 -1.813 1.453 2.863 409 HD2 LYS 16 HD2 LYS 16 -2.534 1.585 5.788 410 HD3 LYS 16 HD1 LYS 16 -3.243 0.444 4.646 411 HE2 LYS 16 HE2 LYS 16 -1.098 -0.552 4.224 412 HE3 LYS 16 HE1 LYS 16 -0.289 0.673 5.202 413 HZ1 LYS 16 HZ1 LYS 16 -1.436 -0.162 7.146 414 HZ2 LYS 16 HZ2 LYS 16 -0.573 -1.409 6.400 415 HZ3 LYS 16 HZ3 LYS 16 -2.246 -1.314 6.212 416 H ASN 17 HN ASN 17 -1.850 3.066 0.957 417 HA ASN 17 HA ASN 17 0.203 1.679 -0.320 418 HB2 ASN 17 HB2 ASN 17 -2.396 2.809 -1.109 419 HB3 ASN 17 HB1 ASN 17 -1.239 2.689 -2.430 420 HD21 ASN 17 HD21 ASN 17 -3.747 1.217 -1.760 421 HD22 ASN 17 HD22 ASN 17 -3.303 -0.452 -1.808 422 H TYR 18 HN TYR 18 -0.752 5.088 -0.544 423 HA TYR 18 HA TYR 18 1.226 5.854 -2.408 424 HB2 TYR 18 HB2 TYR 18 -0.696 7.282 -1.793 425 HB3 TYR 18 HB1 TYR 18 -0.016 7.494 -0.185 426 HD1 TYR 18 HD1 TYR 18 1.826 9.006 0.194 427 HD2 TYR 18 HD2 TYR 18 0.334 8.363 -3.739 428 HE1 TYR 18 HE1 TYR 18 3.076 10.969 -0.594 429 HE2 TYR 18 HE2 TYR 18 1.584 10.326 -4.537 430 HH TYR 18 HH TYR 18 2.528 12.410 -3.603 431 H HIS 19 HN HIS 19 1.212 5.828 1.130 432 HA HIS 19 HA HIS 19 3.756 6.921 1.542 433 HB2 HIS 19 HB2 HIS 19 2.091 6.734 3.327 434 HB3 HIS 19 HB1 HIS 19 2.209 4.980 3.273 435 HD1 HIS 19 HD1 HIS 19 3.517 4.128 5.180 436 HD2 HIS 19 HD2 HIS 19 4.935 7.808 3.869 437 HE1 HIS 19 HE1 HIS 19 5.469 4.668 6.664 438 HE2 HIS 19 HE2 HIS 19 6.210 6.969 5.952 439 H LEU 20 HN LEU 20 2.760 3.502 1.444 440 HA LEU 20 HA LEU 20 5.299 2.374 1.860 441 HB2 LEU 20 HB2 LEU 20 3.093 1.220 0.163 442 HB3 LEU 20 HB1 LEU 20 4.373 0.321 0.941 443 HG LEU 20 HG LEU 20 2.015 1.648 2.169 444 HD11 LEU 20 HD11 LEU 20 1.593 -0.537 1.316 445 HD12 LEU 20 HD12 LEU 20 1.591 -0.583 3.079 446 HD13 LEU 20 HD13 LEU 20 2.988 -1.178 2.182 447 HD21 LEU 20 HD21 LEU 20 3.906 2.198 3.585 448 HD22 LEU 20 HD22 LEU 20 4.397 0.504 3.608 449 HD23 LEU 20 HD23 LEU 20 2.887 0.994 4.374 450 H GLU 21 HN GLU 21 3.502 2.950 -1.117 451 HA GLU 21 HA GLU 21 5.359 1.922 -2.915 452 HB2 GLU 21 HB2 GLU 21 2.909 2.904 -3.202 453 HB3 GLU 21 HB1 GLU 21 3.803 4.325 -3.720 454 HG2 GLU 21 HG2 GLU 21 4.966 2.941 -5.396 455 HG3 GLU 21 HG1 GLU 21 3.966 1.569 -4.908 456 H ASN 22 HN ASN 22 5.006 5.283 -1.797 457 HA ASN 22 HA ASN 22 7.244 6.249 -3.249 458 HB2 ASN 22 HB2 ASN 22 5.627 7.324 -0.962 459 HB3 ASN 22 HB1 ASN 22 7.111 8.135 -1.456 460 HD21 ASN 22 HD21 ASN 22 7.195 9.182 -3.419 461 HD22 ASN 22 HD22 ASN 22 5.782 9.516 -4.360 462 H GLU 23 HN GLU 23 6.863 4.829 -0.050 463 HA GLU 23 HA GLU 23 9.470 5.460 0.872 464 HB2 GLU 23 HB2 GLU 23 7.561 4.672 2.308 465 HB3 GLU 23 HB1 GLU 23 7.812 3.059 1.657 466 HG2 GLU 23 HG2 GLU 23 8.866 3.260 3.816 467 HG3 GLU 23 HG1 GLU 23 10.088 3.054 2.561 468 H VAL 24 HN VAL 24 8.136 2.679 -0.871 469 HA VAL 24 HA VAL 24 10.443 1.097 -0.984 470 HB VAL 24 HB VAL 24 8.321 1.364 -3.132 471 HG11 VAL 24 HG11 VAL 24 10.269 -0.867 -2.568 472 HG12 VAL 24 HG12 VAL 24 10.347 0.257 -3.927 473 HG13 VAL 24 HG13 VAL 24 9.007 -0.884 -3.801 474 HG21 VAL 24 HG21 VAL 24 8.478 -0.560 -0.818 475 HG22 VAL 24 HG22 VAL 24 7.263 -0.572 -2.095 476 HG23 VAL 24 HG23 VAL 24 7.346 0.784 -0.969 477 H ALA 25 HN ALA 25 9.256 3.592 -3.214 478 HA ALA 25 HA ALA 25 11.267 3.398 -5.143 479 HB1 ALA 25 HB1 ALA 25 9.171 4.633 -5.484 480 HB2 ALA 25 HB2 ALA 25 10.577 5.633 -5.853 481 HB3 ALA 25 HB3 ALA 25 9.709 5.857 -4.333 482 H ARG 26 HN ARG 26 11.121 5.261 -2.158 483 HA ARG 26 HA ARG 26 13.506 6.729 -2.527 484 HB2 ARG 26 HB2 ARG 26 11.777 7.297 -0.854 485 HB3 ARG 26 HB1 ARG 26 12.192 5.850 0.052 486 HG2 ARG 26 HG2 ARG 26 14.440 6.734 0.433 487 HG3 ARG 26 HG1 ARG 26 14.012 8.192 -0.466 488 HD2 ARG 26 HD2 ARG 26 12.733 7.214 2.082 489 HD3 ARG 26 HD1 ARG 26 13.828 8.587 1.923 490 HE ARG 26 HE ARG 26 11.842 9.237 0.230 491 HH11 ARG 26 HH11 ARG 26 11.841 8.177 3.566 492 HH12 ARG 26 HH12 ARG 26 10.397 9.047 3.973 493 HH21 ARG 26 HH21 ARG 26 9.936 10.369 0.757 494 HH22 ARG 26 HH22 ARG 26 9.307 10.288 2.372 495 H LEU 27 HN LEU 27 12.849 3.746 -0.703 496 HA LEU 27 HA LEU 27 15.499 3.254 0.102 497 HB2 LEU 27 HB2 LEU 27 13.014 1.636 -0.115 498 HB3 LEU 27 HB1 LEU 27 14.527 0.781 0.025 499 HG LEU 27 HG LEU 27 14.947 1.613 2.185 500 HD11 LEU 27 HD11 LEU 27 12.667 3.546 1.801 501 HD12 LEU 27 HD12 LEU 27 14.381 3.960 1.800 502 HD13 LEU 27 HD13 LEU 27 13.625 3.345 3.269 503 HD21 LEU 27 HD21 LEU 27 11.998 1.079 1.938 504 HD22 LEU 27 HD22 LEU 27 12.919 1.038 3.441 505 HD23 LEU 27 HD23 LEU 27 13.270 -0.120 2.159 506 H LYS 28 HN LYS 28 13.715 2.366 -2.793 507 HA LYS 28 HA LYS 28 15.526 0.487 -3.811 508 HB2 LYS 28 HB2 LYS 28 13.195 0.807 -4.609 509 HB3 LYS 28 HB1 LYS 28 13.688 2.310 -5.368 510 HG2 LYS 28 HG2 LYS 28 13.600 0.665 -7.065 511 HG3 LYS 28 HG1 LYS 28 15.302 0.983 -6.750 512 HD2 LYS 28 HD2 LYS 28 14.012 -1.228 -5.244 513 HD3 LYS 28 HD1 LYS 28 14.318 -1.485 -6.960 514 HE2 LYS 28 HE2 LYS 28 16.372 -0.719 -4.886 515 HE3 LYS 28 HE1 LYS 28 16.161 -2.317 -5.590 516 HZ1 LYS 28 HZ1 LYS 28 16.956 0.146 -7.046 517 HZ2 LYS 28 HZ2 LYS 28 16.699 -1.364 -7.759 518 HZ3 LYS 28 HZ3 LYS 28 17.963 -1.156 -6.656 519 H LYS 29 HN LYS 29 15.526 3.975 -3.864 520 HA LYS 29 HA LYS 29 17.537 4.251 -5.875 521 HB2 LYS 29 HB2 LYS 29 16.631 6.150 -3.709 522 HB3 LYS 29 HB1 LYS 29 17.761 6.573 -4.985 523 HG2 LYS 29 HG2 LYS 29 14.907 5.703 -5.392 524 HG3 LYS 29 HG1 LYS 29 15.502 7.366 -5.456 525 HD2 LYS 29 HD2 LYS 29 17.019 6.679 -7.313 526 HD3 LYS 29 HD1 LYS 29 16.234 5.091 -7.301 527 HE2 LYS 29 HE2 LYS 29 15.263 6.490 -9.026 528 HE3 LYS 29 HE1 LYS 29 14.077 6.180 -7.759 529 HZ1 LYS 29 HZ1 LYS 29 15.702 8.654 -8.005 530 HZ2 LYS 29 HZ2 LYS 29 14.504 8.360 -6.848 531 HZ3 LYS 29 HZ3 LYS 29 14.087 8.502 -8.479 532 H LEU 30 HN LEU 30 17.531 3.911 -2.390 533 HA LEU 30 HA LEU 30 20.338 4.394 -2.090 534 HB2 LEU 30 HB2 LEU 30 18.195 3.340 -0.276 535 HB3 LEU 30 HB1 LEU 30 19.880 3.224 0.190 536 HG LEU 30 HG LEU 30 20.060 5.703 -0.049 537 HD11 LEU 30 HD11 LEU 30 17.066 5.576 -0.327 538 HD12 LEU 30 HD12 LEU 30 18.205 6.070 -1.579 539 HD13 LEU 30 HD13 LEU 30 18.029 7.036 -0.115 540 HD21 LEU 30 HD21 LEU 30 18.883 6.218 2.029 541 HD22 LEU 30 HD22 LEU 30 19.735 4.678 2.129 542 HD23 LEU 30 HD23 LEU 30 17.987 4.704 1.895 543 H VAL 31 HN VAL 31 18.293 1.607 -2.575 544 HA VAL 31 HA VAL 31 20.635 -0.153 -2.668 545 HB VAL 31 HB VAL 31 17.775 -0.955 -3.234 546 HG11 VAL 31 HG11 VAL 31 19.492 -2.545 -3.909 547 HG12 VAL 31 HG12 VAL 31 18.544 -3.175 -2.561 548 HG13 VAL 31 HG13 VAL 31 20.161 -2.530 -2.277 549 HG21 VAL 31 HG21 VAL 31 19.154 -0.941 -0.554 550 HG22 VAL 31 HG22 VAL 31 17.574 -1.645 -0.898 551 HG23 VAL 31 HG23 VAL 31 17.814 0.098 -1.039 552 H GLY 32 HN GLY 32 20.345 2.013 -4.493 553 HA2 GLY 32 HA2 GLY 32 20.120 0.548 -7.034 554 HA3 GLY 32 HA1 GLY 32 19.257 2.067 -6.812 555 H GLU 33 HN GLU 33 20.959 3.705 -5.632 556 HA GLU 33 HA GLU 33 23.198 3.867 -7.532 557 HB2 GLU 33 HB2 GLU 33 21.795 6.055 -5.985 558 HB3 GLU 33 HB1 GLU 33 23.160 6.299 -7.064 559 HG2 GLU 33 HG2 GLU 33 21.841 5.558 -8.951 560 HG3 GLU 33 HG1 GLU 33 20.479 5.211 -7.886 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 -24.717 -5.001 -7.250 2 H2 GLY 1 HT2 GLY 1 -24.692 -6.678 -7.039 3 H3 GLY 1 HT3 GLY 1 -23.245 -5.831 -7.258 4 HA2 GLY 1 HA1 GLY 1 -25.069 -5.552 -4.935 5 HA3 GLY 1 HA2 GLY 1 -23.555 -6.447 -4.939 6 H SER 2 HN SER 2 -23.164 -4.891 -3.107 7 HA SER 2 HA SER 2 -21.843 -2.514 -4.197 8 HB2 SER 2 HB2 SER 2 -22.597 -1.288 -2.084 9 HB3 SER 2 HB1 SER 2 -23.836 -1.581 -3.306 10 HG SER 2 HG SER 2 -24.495 -3.409 -2.071 11 H MET 3 HN MET 3 -22.293 -4.279 -1.133 12 HA MET 3 HA MET 3 -20.015 -3.355 0.124 13 HB2 MET 3 HB2 MET 3 -21.603 -5.876 0.485 14 HB3 MET 3 HB1 MET 3 -20.207 -5.517 1.493 15 HG2 MET 3 HG2 MET 3 -22.641 -3.772 1.198 16 HG3 MET 3 HG1 MET 3 -22.313 -4.858 2.548 17 HE1 MET 3 HE1 MET 3 -22.953 -1.700 2.817 18 HE2 MET 3 HE2 MET 3 -21.799 -1.269 4.080 19 HE3 MET 3 HE3 MET 3 -22.701 -2.780 4.189 20 H LYS 4 HN LYS 4 -20.331 -6.338 -1.802 21 HA LYS 4 HA LYS 4 -17.636 -7.142 -1.237 22 HB2 LYS 4 HB2 LYS 4 -19.563 -8.167 -3.329 23 HB3 LYS 4 HB1 LYS 4 -18.060 -8.945 -2.855 24 HG2 LYS 4 HG2 LYS 4 -18.934 -9.269 -0.600 25 HG3 LYS 4 HG1 LYS 4 -20.443 -8.491 -1.073 26 HD2 LYS 4 HD2 LYS 4 -20.851 -10.235 -2.716 27 HD3 LYS 4 HD1 LYS 4 -19.312 -10.997 -2.310 28 HE2 LYS 4 HE2 LYS 4 -21.629 -10.612 -0.420 29 HE3 LYS 4 HE1 LYS 4 -21.221 -12.118 -1.241 30 HZ1 LYS 4 HZ1 LYS 4 -20.368 -12.131 0.993 31 HZ2 LYS 4 HZ2 LYS 4 -19.534 -10.687 0.739 32 HZ3 LYS 4 HZ3 LYS 4 -19.073 -12.087 -0.092 33 H GLN 5 HN GLN 5 -19.068 -5.072 -3.524 34 HA GLN 5 HA GLN 5 -16.955 -5.387 -5.492 35 HB2 GLN 5 HB2 GLN 5 -19.397 -3.602 -5.469 36 HB3 GLN 5 HB1 GLN 5 -18.253 -3.726 -6.799 37 HG2 GLN 5 HG2 GLN 5 -18.809 -6.103 -7.038 38 HG3 GLN 5 HG1 GLN 5 -19.985 -5.946 -5.734 39 HE21 GLN 5 HE21 GLN 5 -19.431 -3.466 -8.123 40 HE22 GLN 5 HE22 GLN 5 -20.952 -3.629 -8.925 41 H LEU 6 HN LEU 6 -18.231 -3.026 -3.209 42 HA LEU 6 HA LEU 6 -16.176 -1.113 -3.570 43 HB2 LEU 6 HB2 LEU 6 -18.123 -1.740 -1.382 44 HB3 LEU 6 HB1 LEU 6 -16.797 -0.652 -1.046 45 HG LEU 6 HG LEU 6 -18.955 0.474 -1.619 46 HD11 LEU 6 HD11 LEU 6 -17.979 2.170 -3.005 47 HD12 LEU 6 HD12 LEU 6 -16.731 1.061 -3.563 48 HD13 LEU 6 HD13 LEU 6 -16.757 1.579 -1.878 49 HD21 LEU 6 HD21 LEU 6 -19.653 0.569 -3.953 50 HD22 LEU 6 HD22 LEU 6 -19.746 -1.077 -3.326 51 HD23 LEU 6 HD23 LEU 6 -18.413 -0.609 -4.379 52 H GLU 7 HN GLU 7 -16.597 -3.894 -1.422 53 HA GLU 7 HA GLU 7 -14.119 -3.782 -0.119 54 HB2 GLU 7 HB2 GLU 7 -16.027 -5.268 0.512 55 HB3 GLU 7 HB1 GLU 7 -15.657 -6.272 -0.881 56 HG2 GLU 7 HG2 GLU 7 -13.433 -6.726 0.065 57 HG3 GLU 7 HG1 GLU 7 -13.860 -5.766 1.481 58 H ASP 8 HN ASP 8 -15.056 -5.119 -3.270 59 HA ASP 8 HA ASP 8 -12.666 -6.394 -3.941 60 HB2 ASP 8 HB2 ASP 8 -14.725 -4.979 -5.589 61 HB3 ASP 8 HB1 ASP 8 -13.230 -5.509 -6.349 62 H LYS 9 HN LYS 9 -13.473 -2.969 -4.048 63 HA LYS 9 HA LYS 9 -11.032 -2.149 -5.273 64 HB2 LYS 9 HB2 LYS 9 -12.921 -0.523 -3.558 65 HB3 LYS 9 HB1 LYS 9 -11.702 0.112 -4.653 66 HG2 LYS 9 HG2 LYS 9 -12.912 -0.820 -6.553 67 HG3 LYS 9 HG1 LYS 9 -14.129 -1.478 -5.457 68 HD2 LYS 9 HD2 LYS 9 -14.647 0.810 -4.699 69 HD3 LYS 9 HD1 LYS 9 -13.465 1.441 -5.847 70 HE2 LYS 9 HE2 LYS 9 -14.758 0.445 -7.688 71 HE3 LYS 9 HE1 LYS 9 -15.954 -0.122 -6.524 72 HZ1 LYS 9 HZ1 LYS 9 -15.259 2.715 -7.065 73 HZ2 LYS 9 HZ2 LYS 9 -16.378 2.191 -5.915 74 HZ3 LYS 9 HZ3 LYS 9 -16.670 1.925 -7.558 75 H VAL 10 HN VAL 10 -12.222 -2.232 -1.942 76 HA VAL 10 HA VAL 10 -10.043 -1.036 -0.676 77 HB VAL 10 HB VAL 10 -11.607 -3.294 0.557 78 HG11 VAL 10 HG11 VAL 10 -11.273 -2.019 2.620 79 HG12 VAL 10 HG12 VAL 10 -10.377 -0.801 1.710 80 HG13 VAL 10 HG13 VAL 10 -9.742 -2.442 1.854 81 HG21 VAL 10 HG21 VAL 10 -13.351 -1.813 1.198 82 HG22 VAL 10 HG22 VAL 10 -13.149 -1.661 -0.548 83 HG23 VAL 10 HG23 VAL 10 -12.497 -0.427 0.530 84 H GLU 11 HN GLU 11 -10.718 -4.505 -1.152 85 HA GLU 11 HA GLU 11 -8.285 -5.340 0.069 86 HB2 GLU 11 HB2 GLU 11 -10.341 -6.740 -0.072 87 HB3 GLU 11 HB1 GLU 11 -10.084 -6.901 -1.802 88 HG2 GLU 11 HG2 GLU 11 -7.914 -7.982 -1.345 89 HG3 GLU 11 HG1 GLU 11 -8.260 -7.887 0.380 90 H GLU 12 HN GLU 12 -9.089 -4.330 -3.148 91 HA GLU 12 HA GLU 12 -6.943 -5.568 -4.523 92 HB2 GLU 12 HB2 GLU 12 -8.888 -4.523 -5.669 93 HB3 GLU 12 HB1 GLU 12 -8.307 -2.942 -5.164 94 HG2 GLU 12 HG2 GLU 12 -6.236 -3.330 -6.439 95 HG3 GLU 12 HG1 GLU 12 -6.894 -4.867 -6.996 96 H LEU 13 HN LEU 13 -7.362 -2.387 -3.031 97 HA LEU 13 HA LEU 13 -4.679 -1.547 -3.386 98 HB2 LEU 13 HB2 LEU 13 -6.716 -0.715 -1.318 99 HB3 LEU 13 HB1 LEU 13 -5.207 0.118 -1.636 100 HG LEU 13 HG LEU 13 -7.554 -0.141 -3.515 101 HD11 LEU 13 HD11 LEU 13 -6.316 2.241 -2.153 102 HD12 LEU 13 HD12 LEU 13 -7.846 1.480 -1.718 103 HD13 LEU 13 HD13 LEU 13 -7.670 2.278 -3.282 104 HD21 LEU 13 HD21 LEU 13 -4.862 1.143 -3.946 105 HD22 LEU 13 HD22 LEU 13 -6.255 1.314 -5.014 106 HD23 LEU 13 HD23 LEU 13 -5.504 -0.267 -4.791 107 H LEU 14 HN LEU 14 -6.377 -3.355 -0.931 108 HA LEU 14 HA LEU 14 -4.420 -3.520 1.060 109 HB2 LEU 14 HB2 LEU 14 -6.844 -4.327 1.083 110 HB3 LEU 14 HB1 LEU 14 -6.271 -5.751 0.244 111 HG LEU 14 HG LEU 14 -4.711 -6.146 2.199 112 HD11 LEU 14 HD11 LEU 14 -5.261 -5.090 4.303 113 HD12 LEU 14 HD12 LEU 14 -6.517 -4.132 3.520 114 HD13 LEU 14 HD13 LEU 14 -4.821 -3.865 3.113 115 HD21 LEU 14 HD21 LEU 14 -6.729 -7.451 1.864 116 HD22 LEU 14 HD22 LEU 14 -7.689 -6.209 2.669 117 HD23 LEU 14 HD23 LEU 14 -6.490 -7.127 3.580 118 H SER 15 HN SER 15 -4.758 -5.137 -1.983 119 HA SER 15 HA SER 15 -3.021 -7.317 -1.456 120 HB2 SER 15 HB2 SER 15 -3.974 -6.181 -4.096 121 HB3 SER 15 HB1 SER 15 -3.171 -7.737 -3.883 122 HG SER 15 HG SER 15 -5.637 -6.977 -2.676 123 H LYS 16 HN LYS 16 -2.600 -4.234 -3.234 124 HA LYS 16 HA LYS 16 0.185 -4.828 -3.600 125 HB2 LYS 16 HB2 LYS 16 0.424 -2.592 -4.535 126 HB3 LYS 16 HB1 LYS 16 -0.890 -3.476 -5.290 127 HG2 LYS 16 HG2 LYS 16 -2.507 -2.194 -3.988 128 HG3 LYS 16 HG1 LYS 16 -1.183 -1.316 -3.209 129 HD2 LYS 16 HD2 LYS 16 -0.449 -0.511 -5.417 130 HD3 LYS 16 HD1 LYS 16 -1.810 -1.348 -6.163 131 HE2 LYS 16 HE2 LYS 16 -3.347 0.037 -4.814 132 HE3 LYS 16 HE1 LYS 16 -1.957 0.911 -4.172 133 HZ1 LYS 16 HZ1 LYS 16 -2.797 0.797 -7.021 134 HZ2 LYS 16 HZ2 LYS 16 -1.406 1.574 -6.452 135 HZ3 LYS 16 HZ3 LYS 16 -2.930 2.130 -5.986 136 H ASN 17 HN ASN 17 -1.730 -2.979 -1.302 137 HA ASN 17 HA ASN 17 0.270 -1.780 0.215 138 HB2 ASN 17 HB2 ASN 17 -2.434 -2.818 0.727 139 HB3 ASN 17 HB1 ASN 17 -1.390 -2.840 2.143 140 HD21 ASN 17 HD21 ASN 17 -3.756 -1.226 1.407 141 HD22 ASN 17 HD22 ASN 17 -3.254 0.417 1.586 142 H TYR 18 HN TYR 18 -0.942 -5.106 0.275 143 HA TYR 18 HA TYR 18 0.727 -6.120 2.281 144 HB2 TYR 18 HB2 TYR 18 -1.155 -7.387 1.426 145 HB3 TYR 18 HB1 TYR 18 -0.423 -7.473 -0.170 146 HD1 TYR 18 HD1 TYR 18 0.156 -8.495 3.364 147 HD2 TYR 18 HD2 TYR 18 0.872 -9.314 -0.747 148 HE1 TYR 18 HE1 TYR 18 1.216 -10.624 3.979 149 HE2 TYR 18 HE2 TYR 18 1.937 -11.446 -0.142 150 HH TYR 18 HH TYR 18 3.028 -12.480 1.770 151 H HIS 19 HN HIS 19 1.316 -5.622 -1.149 152 HA HIS 19 HA HIS 19 3.814 -7.052 -1.108 153 HB2 HIS 19 HB2 HIS 19 2.336 -5.500 -3.211 154 HB3 HIS 19 HB1 HIS 19 3.989 -6.043 -3.477 155 HD1 HIS 19 HD1 HIS 19 0.473 -7.281 -3.233 156 HD2 HIS 19 HD2 HIS 19 4.299 -8.826 -3.766 157 HE1 HIS 19 HE1 HIS 19 0.149 -9.663 -3.965 158 HE2 HIS 19 HE2 HIS 19 2.470 -10.527 -4.427 159 H LEU 20 HN LEU 20 2.850 -3.636 -1.356 160 HA LEU 20 HA LEU 20 5.401 -2.512 -1.602 161 HB2 LEU 20 HB2 LEU 20 3.129 -1.313 -0.028 162 HB3 LEU 20 HB1 LEU 20 4.439 -0.445 -0.786 163 HG LEU 20 HG LEU 20 2.076 -1.737 -2.038 164 HD11 LEU 20 HD11 LEU 20 1.774 0.476 -3.044 165 HD12 LEU 20 HD12 LEU 20 3.178 1.044 -2.140 166 HD13 LEU 20 HD13 LEU 20 1.736 0.499 -1.281 167 HD21 LEU 20 HD21 LEU 20 4.538 -0.758 -3.468 168 HD22 LEU 20 HD22 LEU 20 3.025 -1.214 -4.249 169 HD23 LEU 20 HD23 LEU 20 3.974 -2.428 -3.392 170 H GLU 21 HN GLU 21 3.426 -3.086 1.262 171 HA GLU 21 HA GLU 21 5.177 -2.035 3.158 172 HB2 GLU 21 HB2 GLU 21 2.695 -3.033 3.287 173 HB3 GLU 21 HB1 GLU 21 3.572 -4.404 3.952 174 HG2 GLU 21 HG2 GLU 21 4.547 -2.971 5.659 175 HG3 GLU 21 HG1 GLU 21 3.702 -1.578 4.979 176 H ASN 22 HN ASN 22 4.984 -5.340 1.880 177 HA ASN 22 HA ASN 22 7.105 -6.314 3.538 178 HB2 ASN 22 HB2 ASN 22 5.716 -7.422 1.107 179 HB3 ASN 22 HB1 ASN 22 7.104 -8.233 1.827 180 HD21 ASN 22 HD21 ASN 22 4.362 -9.139 1.576 181 HD22 ASN 22 HD22 ASN 22 3.816 -9.469 3.183 182 H GLU 23 HN GLU 23 6.870 -4.968 0.296 183 HA GLU 23 HA GLU 23 9.504 -5.529 -0.544 184 HB2 GLU 23 HB2 GLU 23 7.637 -4.739 -2.016 185 HB3 GLU 23 HB1 GLU 23 7.805 -3.143 -1.300 186 HG2 GLU 23 HG2 GLU 23 8.933 -3.098 -3.371 187 HG3 GLU 23 HG1 GLU 23 10.169 -3.122 -2.116 188 H VAL 24 HN VAL 24 8.088 -2.763 1.159 189 HA VAL 24 HA VAL 24 10.365 -1.155 1.362 190 HB VAL 24 HB VAL 24 8.137 -1.464 3.397 191 HG11 VAL 24 HG11 VAL 24 8.765 0.766 4.154 192 HG12 VAL 24 HG12 VAL 24 10.093 0.792 2.993 193 HG13 VAL 24 HG13 VAL 24 10.110 -0.363 4.327 194 HG21 VAL 24 HG21 VAL 24 7.140 0.491 2.331 195 HG22 VAL 24 HG22 VAL 24 7.290 -0.848 1.194 196 HG23 VAL 24 HG23 VAL 24 8.429 0.498 1.127 197 H ALA 25 HN ALA 25 9.173 -3.728 3.483 198 HA ALA 25 HA ALA 25 10.935 -3.389 5.608 199 HB1 ALA 25 HB1 ALA 25 9.675 -5.955 4.645 200 HB2 ALA 25 HB2 ALA 25 8.918 -4.776 5.715 201 HB3 ALA 25 HB3 ALA 25 10.342 -5.667 6.252 202 H ARG 26 HN ARG 26 11.228 -5.645 2.856 203 HA ARG 26 HA ARG 26 13.754 -6.629 3.671 204 HB2 ARG 26 HB2 ARG 26 13.895 -7.578 1.387 205 HB3 ARG 26 HB1 ARG 26 12.391 -7.960 2.207 206 HG2 ARG 26 HG2 ARG 26 11.345 -6.061 0.936 207 HG3 ARG 26 HG1 ARG 26 12.837 -5.979 -0.006 208 HD2 ARG 26 HD2 ARG 26 11.193 -7.318 -1.176 209 HD3 ARG 26 HD1 ARG 26 12.535 -8.333 -0.648 210 HE ARG 26 HE ARG 26 10.543 -8.400 1.320 211 HH11 ARG 26 HH11 ARG 26 11.082 -9.478 -1.962 212 HH12 ARG 26 HH12 ARG 26 10.005 -10.830 -1.829 213 HH21 ARG 26 HH21 ARG 26 9.125 -10.189 1.506 214 HH22 ARG 26 HH22 ARG 26 8.899 -11.238 0.142 215 H LEU 27 HN LEU 27 12.784 -4.000 1.543 216 HA LEU 27 HA LEU 27 15.325 -3.316 0.556 217 HB2 LEU 27 HB2 LEU 27 12.711 -1.978 0.861 218 HB3 LEU 27 HB1 LEU 27 14.095 -0.915 0.736 219 HG LEU 27 HG LEU 27 14.542 -1.536 -1.465 220 HD11 LEU 27 HD11 LEU 27 13.651 -3.497 -2.576 221 HD12 LEU 27 HD12 LEU 27 12.802 -3.969 -1.103 222 HD13 LEU 27 HD13 LEU 27 14.565 -3.960 -1.143 223 HD21 LEU 27 HD21 LEU 27 11.576 -1.636 -1.010 224 HD22 LEU 27 HD22 LEU 27 12.309 -1.543 -2.608 225 HD23 LEU 27 HD23 LEU 27 12.562 -0.241 -1.447 226 H LYS 28 HN LYS 28 13.587 -2.270 3.469 227 HA LYS 28 HA LYS 28 15.632 -0.526 4.378 228 HB2 LYS 28 HB2 LYS 28 13.262 -1.797 5.719 229 HB3 LYS 28 HB1 LYS 28 14.409 -0.823 6.628 230 HG2 LYS 28 HG2 LYS 28 13.353 0.368 4.152 231 HG3 LYS 28 HG1 LYS 28 12.207 0.163 5.471 232 HD2 LYS 28 HD2 LYS 28 13.258 2.386 5.478 233 HD3 LYS 28 HD1 LYS 28 13.615 1.480 6.943 234 HE2 LYS 28 HE2 LYS 28 15.543 1.384 4.665 235 HE3 LYS 28 HE1 LYS 28 15.483 2.825 5.672 236 HZ1 LYS 28 HZ1 LYS 28 15.953 0.067 6.676 237 HZ2 LYS 28 HZ2 LYS 28 15.941 1.472 7.610 238 HZ3 LYS 28 HZ3 LYS 28 17.148 1.239 6.448 239 H LYS 29 HN LYS 29 15.408 -3.909 4.339 240 HA LYS 29 HA LYS 29 17.129 -4.405 6.581 241 HB2 LYS 29 HB2 LYS 29 15.613 -6.146 5.811 242 HB3 LYS 29 HB1 LYS 29 16.345 -6.122 4.217 243 HG2 LYS 29 HG2 LYS 29 17.317 -7.985 5.105 244 HG3 LYS 29 HG1 LYS 29 18.516 -6.763 5.531 245 HD2 LYS 29 HD2 LYS 29 16.305 -7.558 7.411 246 HD3 LYS 29 HD1 LYS 29 17.835 -8.441 7.336 247 HE2 LYS 29 HE2 LYS 29 19.031 -6.345 7.858 248 HE3 LYS 29 HE1 LYS 29 17.482 -5.517 7.991 249 HZ1 LYS 29 HZ1 LYS 29 18.328 -6.175 10.153 250 HZ2 LYS 29 HZ2 LYS 29 18.359 -7.794 9.676 251 HZ3 LYS 29 HZ3 LYS 29 16.881 -6.979 9.807 252 H LEU 30 HN LEU 30 17.481 -4.032 3.111 253 HA LEU 30 HA LEU 30 20.320 -4.438 3.119 254 HB2 LEU 30 HB2 LEU 30 18.335 -3.518 1.063 255 HB3 LEU 30 HB1 LEU 30 20.055 -3.372 0.765 256 HG LEU 30 HG LEU 30 20.285 -5.824 1.076 257 HD11 LEU 30 HD11 LEU 30 18.304 -7.236 1.047 258 HD12 LEU 30 HD12 LEU 30 17.276 -5.807 1.154 259 HD13 LEU 30 HD13 LEU 30 18.348 -6.225 2.492 260 HD21 LEU 30 HD21 LEU 30 18.306 -4.974 -1.029 261 HD22 LEU 30 HD22 LEU 30 19.278 -6.445 -1.058 262 HD23 LEU 30 HD23 LEU 30 20.062 -4.868 -1.151 263 H VAL 31 HN VAL 31 18.119 -1.686 3.139 264 HA VAL 31 HA VAL 31 20.340 0.179 3.454 265 HB VAL 31 HB VAL 31 17.410 0.828 3.815 266 HG11 VAL 31 HG11 VAL 31 19.760 2.530 2.993 267 HG12 VAL 31 HG12 VAL 31 19.003 2.513 4.585 268 HG13 VAL 31 HG13 VAL 31 18.096 3.082 3.185 269 HG21 VAL 31 HG21 VAL 31 18.974 0.854 1.238 270 HG22 VAL 31 HG22 VAL 31 17.345 1.495 1.460 271 HG23 VAL 31 HG23 VAL 31 17.645 -0.234 1.641 272 H GLY 32 HN GLY 32 20.012 -1.981 5.266 273 HA2 GLY 32 HA2 GLY 32 19.614 -0.494 7.775 274 HA3 GLY 32 HA1 GLY 32 18.996 -2.131 7.570 275 H GLU 33 HN GLU 33 20.816 -3.627 6.610 276 HA GLU 33 HA GLU 33 23.354 -3.072 7.988 277 HB2 GLU 33 HB2 GLU 33 21.812 -5.673 7.940 278 HB3 GLU 33 HB1 GLU 33 23.494 -5.552 8.436 279 HG2 GLU 33 HG2 GLU 33 21.229 -4.072 9.748 280 HG3 GLU 33 HG1 GLU 33 21.875 -5.611 10.312 281 H1 GLY 1 HT1 GLY 1 -24.959 5.121 6.205 282 H2 GLY 1 HT2 GLY 1 -24.898 6.799 6.006 283 H3 GLY 1 HT3 GLY 1 -23.474 5.926 6.281 284 HA2 GLY 1 HA1 GLY 1 -25.201 5.687 3.882 285 HA3 GLY 1 HA2 GLY 1 -23.681 6.566 3.956 286 H SER 2 HN SER 2 -23.221 5.025 2.133 287 HA SER 2 HA SER 2 -21.973 2.625 3.255 288 HB2 SER 2 HB2 SER 2 -22.649 1.425 1.100 289 HB3 SER 2 HB1 SER 2 -23.930 1.714 2.279 290 HG SER 2 HG SER 2 -24.510 3.577 1.033 291 H MET 3 HN MET 3 -22.275 4.427 0.191 292 HA MET 3 HA MET 3 -19.953 3.481 -0.976 293 HB2 MET 3 HB2 MET 3 -21.502 6.020 -1.393 294 HB3 MET 3 HB1 MET 3 -20.072 5.645 -2.345 295 HG2 MET 3 HG2 MET 3 -22.538 3.931 -2.154 296 HG3 MET 3 HG1 MET 3 -22.142 5.018 -3.485 297 HE1 MET 3 HE1 MET 3 -22.811 1.865 -3.794 298 HE2 MET 3 HE2 MET 3 -21.614 1.429 -5.013 299 HE3 MET 3 HE3 MET 3 -22.496 2.951 -5.147 300 H LYS 4 HN LYS 4 -20.328 6.459 0.953 301 HA LYS 4 HA LYS 4 -17.605 7.236 0.499 302 HB2 LYS 4 HB2 LYS 4 -19.594 8.278 2.518 303 HB3 LYS 4 HB1 LYS 4 -18.067 9.037 2.099 304 HG2 LYS 4 HG2 LYS 4 -18.856 9.382 -0.181 305 HG3 LYS 4 HG1 LYS 4 -20.386 8.605 0.229 306 HD2 LYS 4 HD2 LYS 4 -20.856 10.343 1.860 307 HD3 LYS 4 HD1 LYS 4 -19.298 11.101 1.526 308 HE2 LYS 4 HE2 LYS 4 -21.531 10.740 -0.466 309 HE3 LYS 4 HE1 LYS 4 -21.157 12.235 0.385 310 HZ1 LYS 4 HZ1 LYS 4 -20.207 12.267 -1.811 311 HZ2 LYS 4 HZ2 LYS 4 -19.384 10.818 -1.529 312 HZ3 LYS 4 HZ3 LYS 4 -18.963 12.211 -0.666 313 H GLN 5 HN GLN 5 -19.148 5.173 2.715 314 HA GLN 5 HA GLN 5 -17.113 5.453 4.767 315 HB2 GLN 5 HB2 GLN 5 -19.568 3.688 4.635 316 HB3 GLN 5 HB1 GLN 5 -18.474 3.792 6.008 317 HG2 GLN 5 HG2 GLN 5 -19.023 6.171 6.250 318 HG3 GLN 5 HG1 GLN 5 -20.146 6.036 4.900 319 HE21 GLN 5 HE21 GLN 5 -19.713 3.528 7.285 320 HE22 GLN 5 HE22 GLN 5 -21.262 3.700 8.033 321 H LEU 6 HN LEU 6 -18.315 3.119 2.414 322 HA LEU 6 HA LEU 6 -16.294 1.184 2.851 323 HB2 LEU 6 HB2 LEU 6 -18.146 1.842 0.592 324 HB3 LEU 6 HB1 LEU 6 -16.814 0.747 0.301 325 HG LEU 6 HG LEU 6 -19.002 -0.367 0.778 326 HD11 LEU 6 HD11 LEU 6 -18.097 -2.079 2.192 327 HD12 LEU 6 HD12 LEU 6 -16.861 -0.985 2.807 328 HD13 LEU 6 HD13 LEU 6 -16.827 -1.494 1.119 329 HD21 LEU 6 HD21 LEU 6 -19.797 -0.468 3.079 330 HD22 LEU 6 HD22 LEU 6 -19.848 1.182 2.460 331 HD23 LEU 6 HD23 LEU 6 -18.562 0.693 3.565 332 H GLU 7 HN GLU 7 -16.604 3.979 0.701 333 HA GLU 7 HA GLU 7 -14.074 3.855 -0.492 334 HB2 GLU 7 HB2 GLU 7 -15.941 5.361 -1.195 335 HB3 GLU 7 HB1 GLU 7 -15.621 6.354 0.218 336 HG2 GLU 7 HG2 GLU 7 -13.359 6.800 -0.629 337 HG3 GLU 7 HG1 GLU 7 -13.730 5.849 -2.068 338 H ASP 8 HN ASP 8 -15.128 5.187 2.624 339 HA ASP 8 HA ASP 8 -12.754 6.435 3.399 340 HB2 ASP 8 HB2 ASP 8 -14.896 5.034 4.954 341 HB3 ASP 8 HB1 ASP 8 -13.426 5.539 5.777 342 H LYS 9 HN LYS 9 -13.593 3.016 3.445 343 HA LYS 9 HA LYS 9 -11.213 2.167 4.770 344 HB2 LYS 9 HB2 LYS 9 -13.042 0.570 2.965 345 HB3 LYS 9 HB1 LYS 9 -11.876 -0.085 4.104 346 HG2 LYS 9 HG2 LYS 9 -13.157 0.846 5.959 347 HG3 LYS 9 HG1 LYS 9 -14.322 1.521 4.818 348 HD2 LYS 9 HD2 LYS 9 -14.824 -0.755 4.024 349 HD3 LYS 9 HD1 LYS 9 -13.696 -1.403 5.215 350 HE2 LYS 9 HE2 LYS 9 -15.054 -0.404 7.005 351 HE3 LYS 9 HE1 LYS 9 -16.196 0.174 5.795 352 HZ1 LYS 9 HZ1 LYS 9 -15.544 -2.669 6.352 353 HZ2 LYS 9 HZ2 LYS 9 -16.611 -2.129 5.159 354 HZ3 LYS 9 HZ3 LYS 9 -16.969 -1.870 6.788 355 H VAL 10 HN VAL 10 -12.265 2.273 1.394 356 HA VAL 10 HA VAL 10 -10.046 1.070 0.209 357 HB VAL 10 HB VAL 10 -11.540 3.351 -1.071 358 HG11 VAL 10 HG11 VAL 10 -11.137 2.086 -3.127 359 HG12 VAL 10 HG12 VAL 10 -10.287 0.854 -2.191 360 HG13 VAL 10 HG13 VAL 10 -9.632 2.490 -2.299 361 HG21 VAL 10 HG21 VAL 10 -13.270 1.889 -1.791 362 HG22 VAL 10 HG22 VAL 10 -13.142 1.723 -0.039 363 HG23 VAL 10 HG23 VAL 10 -12.457 0.490 -1.100 364 H GLU 11 HN GLU 11 -10.712 4.543 0.677 365 HA GLU 11 HA GLU 11 -8.225 5.368 -0.435 366 HB2 GLU 11 HB2 GLU 11 -10.274 6.785 -0.368 367 HB3 GLU 11 HB1 GLU 11 -10.083 6.934 1.374 368 HG2 GLU 11 HG2 GLU 11 -7.889 7.999 1.010 369 HG3 GLU 11 HG1 GLU 11 -8.166 7.916 -0.728 370 H GLU 12 HN GLU 12 -9.165 4.332 2.737 371 HA GLU 12 HA GLU 12 -7.069 5.553 4.208 372 HB2 GLU 12 HB2 GLU 12 -9.068 4.517 5.268 373 HB3 GLU 12 HB1 GLU 12 -8.480 2.935 4.777 374 HG2 GLU 12 HG2 GLU 12 -6.460 3.292 6.139 375 HG3 GLU 12 HG1 GLU 12 -7.124 4.835 6.675 376 H LEU 13 HN LEU 13 -7.454 2.389 2.675 377 HA LEU 13 HA LEU 13 -4.796 1.523 3.137 378 HB2 LEU 13 HB2 LEU 13 -6.752 0.718 0.982 379 HB3 LEU 13 HB1 LEU 13 -5.264 -0.129 1.359 380 HG LEU 13 HG LEU 13 -7.685 0.140 3.140 381 HD11 LEU 13 HD11 LEU 13 -6.411 -2.245 1.820 382 HD12 LEU 13 HD12 LEU 13 -7.916 -1.469 1.325 383 HD13 LEU 13 HD13 LEU 13 -7.810 -2.275 2.891 384 HD21 LEU 13 HD21 LEU 13 -5.025 -1.170 3.680 385 HD22 LEU 13 HD22 LEU 13 -6.464 -1.331 4.687 386 HD23 LEU 13 HD23 LEU 13 -5.688 0.242 4.504 387 H LEU 14 HN LEU 14 -6.375 3.361 0.629 388 HA LEU 14 HA LEU 14 -4.337 3.517 -1.279 389 HB2 LEU 14 HB2 LEU 14 -6.750 4.345 -1.398 390 HB3 LEU 14 HB1 LEU 14 -6.200 5.761 -0.529 391 HG LEU 14 HG LEU 14 -4.556 6.153 -2.415 392 HD11 LEU 14 HD11 LEU 14 -5.033 5.116 -4.547 393 HD12 LEU 14 HD12 LEU 14 -6.327 4.164 -3.821 394 HD13 LEU 14 HD13 LEU 14 -4.650 3.879 -3.348 395 HD21 LEU 14 HD21 LEU 14 -6.573 7.475 -2.152 396 HD22 LEU 14 HD22 LEU 14 -7.513 6.251 -3.005 397 HD23 LEU 14 HD23 LEU 14 -6.268 7.163 -3.860 398 H SER 15 HN SER 15 -4.787 5.124 1.756 399 HA SER 15 HA SER 15 -3.005 7.286 1.314 400 HB2 SER 15 HB2 SER 15 -4.098 6.147 3.896 401 HB3 SER 15 HB1 SER 15 -3.245 7.682 3.743 402 HG SER 15 HG SER 15 -5.684 6.988 2.445 403 H LYS 16 HN LYS 16 -2.690 4.186 3.084 404 HA LYS 16 HA LYS 16 0.083 4.759 3.570 405 HB2 LYS 16 HB2 LYS 16 0.268 2.516 4.499 406 HB3 LYS 16 HB1 LYS 16 -1.069 3.406 5.208 407 HG2 LYS 16 HG2 LYS 16 -2.641 2.145 3.834 408 HG3 LYS 16 HG1 LYS 16 -1.296 1.262 3.104 409 HD2 LYS 16 HD2 LYS 16 -0.657 0.436 5.336 410 HD3 LYS 16 HD1 LYS 16 -2.043 1.276 6.029 411 HE2 LYS 16 HE2 LYS 16 -3.531 -0.085 4.608 412 HE3 LYS 16 HE1 LYS 16 -2.124 -0.960 4.009 413 HZ1 LYS 16 HZ1 LYS 16 -3.064 -0.874 6.822 414 HZ2 LYS 16 HZ2 LYS 16 -1.667 -1.664 6.294 415 HZ3 LYS 16 HZ3 LYS 16 -3.183 -2.191 5.769 416 H ASN 17 HN ASN 17 -1.751 2.941 1.183 417 HA ASN 17 HA ASN 17 0.299 1.732 -0.258 418 HB2 ASN 17 HB2 ASN 17 -2.374 2.797 -0.873 419 HB3 ASN 17 HB1 ASN 17 -1.271 2.821 -2.244 420 HD21 ASN 17 HD21 ASN 17 -3.682 1.221 -1.613 421 HD22 ASN 17 HD22 ASN 17 -3.187 -0.426 -1.786 422 H TYR 18 HN TYR 18 -0.885 5.071 -0.353 423 HA TYR 18 HA TYR 18 0.878 6.082 -2.276 424 HB2 TYR 18 HB2 TYR 18 -1.029 7.358 -1.497 425 HB3 TYR 18 HB1 TYR 18 -0.365 7.428 0.130 426 HD1 TYR 18 HD1 TYR 18 0.371 8.474 -3.371 427 HD2 TYR 18 HD2 TYR 18 0.922 9.251 0.775 428 HE1 TYR 18 HE1 TYR 18 1.478 10.598 -3.922 429 HE2 TYR 18 HE2 TYR 18 2.031 11.375 0.234 430 HH TYR 18 HH TYR 18 3.219 12.418 -1.612 431 H HIS 19 HN HIS 19 1.324 5.551 1.170 432 HA HIS 19 HA HIS 19 3.831 6.968 1.238 433 HB2 HIS 19 HB2 HIS 19 2.260 5.415 3.272 434 HB3 HIS 19 HB1 HIS 19 3.906 5.946 3.607 435 HD1 HIS 19 HD1 HIS 19 0.412 7.215 3.213 436 HD2 HIS 19 HD2 HIS 19 4.222 8.717 3.936 437 HE1 HIS 19 HE1 HIS 19 0.076 9.592 3.954 438 HE2 HIS 19 HE2 HIS 19 2.382 10.432 4.522 439 H LEU 20 HN LEU 20 2.829 3.560 1.425 440 HA LEU 20 HA LEU 20 5.360 2.411 1.771 441 HB2 LEU 20 HB2 LEU 20 3.143 1.243 0.096 442 HB3 LEU 20 HB1 LEU 20 4.413 0.356 0.901 443 HG LEU 20 HG LEU 20 2.015 1.666 2.064 444 HD11 LEU 20 HD11 LEU 20 1.650 -0.552 3.043 445 HD12 LEU 20 HD12 LEU 20 3.083 -1.126 2.193 446 HD13 LEU 20 HD13 LEU 20 1.683 -0.563 1.281 447 HD21 LEU 20 HD21 LEU 20 4.407 0.653 3.590 448 HD22 LEU 20 HD22 LEU 20 2.864 1.116 4.309 449 HD23 LEU 20 HD23 LEU 20 3.858 2.328 3.500 450 H GLU 21 HN GLU 21 3.507 3.022 -1.167 451 HA GLU 21 HA GLU 21 5.324 1.968 -2.995 452 HB2 GLU 21 HB2 GLU 21 2.857 2.987 -3.218 453 HB3 GLU 21 HB1 GLU 21 3.773 4.352 -3.843 454 HG2 GLU 21 HG2 GLU 21 4.804 2.917 -5.512 455 HG3 GLU 21 HG1 GLU 21 3.922 1.528 -4.870 456 H ASN 22 HN ASN 22 5.107 5.269 -1.711 457 HA ASN 22 HA ASN 22 7.304 6.232 -3.273 458 HB2 ASN 22 HB2 ASN 22 5.834 7.339 -0.889 459 HB3 ASN 22 HB1 ASN 22 7.250 8.143 -1.556 460 HD21 ASN 22 HD21 ASN 22 4.515 9.078 -1.398 461 HD22 ASN 22 HD22 ASN 22 4.021 9.408 -3.021 462 H GLU 23 HN GLU 23 6.924 4.875 -0.047 463 HA GLU 23 HA GLU 23 9.529 5.399 0.897 464 HB2 GLU 23 HB2 GLU 23 7.595 4.613 2.282 465 HB3 GLU 23 HB1 GLU 23 7.780 3.022 1.564 466 HG2 GLU 23 HG2 GLU 23 8.824 2.961 3.684 467 HG3 GLU 23 HG1 GLU 23 10.107 2.976 2.476 468 H VAL 24 HN VAL 24 8.159 2.661 -0.882 469 HA VAL 24 HA VAL 24 10.427 1.032 -1.001 470 HB VAL 24 HB VAL 24 8.286 1.369 -3.124 471 HG11 VAL 24 HG11 VAL 24 8.926 -0.861 -3.866 472 HG12 VAL 24 HG12 VAL 24 10.205 -0.904 -2.650 473 HG13 VAL 24 HG13 VAL 24 10.287 0.257 -3.976 474 HG21 VAL 24 HG21 VAL 24 7.229 -0.583 -2.110 475 HG22 VAL 24 HG22 VAL 24 7.344 0.750 -0.959 476 HG23 VAL 24 HG23 VAL 24 8.466 -0.606 -0.853 477 H ALA 25 HN ALA 25 9.342 3.628 -3.150 478 HA ALA 25 HA ALA 25 11.186 3.287 -5.206 479 HB1 ALA 25 HB1 ALA 25 9.914 5.860 -4.273 480 HB2 ALA 25 HB2 ALA 25 9.189 4.696 -5.382 481 HB3 ALA 25 HB3 ALA 25 10.644 5.578 -5.852 482 H ARG 26 HN ARG 26 11.388 5.523 -2.426 483 HA ARG 26 HA ARG 26 13.954 6.489 -3.131 484 HB2 ARG 26 HB2 ARG 26 14.007 7.424 -0.837 485 HB3 ARG 26 HB1 ARG 26 12.541 7.823 -1.716 486 HG2 ARG 26 HG2 ARG 26 11.428 5.926 -0.504 487 HG3 ARG 26 HG1 ARG 26 12.879 5.822 0.496 488 HD2 ARG 26 HD2 ARG 26 11.204 7.169 1.608 489 HD3 ARG 26 HD1 ARG 26 12.574 8.175 1.141 490 HE ARG 26 HE ARG 26 10.658 8.269 -0.904 491 HH11 ARG 26 HH11 ARG 26 11.084 9.330 2.401 492 HH12 ARG 26 HH12 ARG 26 10.016 10.685 2.236 493 HH21 ARG 26 HH21 ARG 26 9.272 10.065 -1.131 494 HH22 ARG 26 HH22 ARG 26 8.995 11.114 0.226 495 H LEU 27 HN LEU 27 12.874 3.852 -1.073 496 HA LEU 27 HA LEU 27 15.367 3.146 0.023 497 HB2 LEU 27 HB2 LEU 27 12.759 1.831 -0.400 498 HB3 LEU 27 HB1 LEU 27 14.127 0.756 -0.222 499 HG LEU 27 HG LEU 27 14.489 1.361 1.998 500 HD11 LEU 27 HD11 LEU 27 13.566 3.325 3.084 501 HD12 LEU 27 HD12 LEU 27 12.783 3.810 1.579 502 HD13 LEU 27 HD13 LEU 27 14.543 3.787 1.692 503 HD21 LEU 27 HD21 LEU 27 11.544 1.488 1.424 504 HD22 LEU 27 HD22 LEU 27 12.210 1.381 3.050 505 HD23 LEU 27 HD23 LEU 27 12.500 0.082 1.893 506 H LYS 28 HN LYS 28 13.741 2.132 -2.960 507 HA LYS 28 HA LYS 28 15.803 0.373 -3.794 508 HB2 LYS 28 HB2 LYS 28 13.502 1.675 -5.223 509 HB3 LYS 28 HB1 LYS 28 14.677 0.695 -6.088 510 HG2 LYS 28 HG2 LYS 28 13.511 -0.500 -3.668 511 HG3 LYS 28 HG1 LYS 28 12.422 -0.277 -5.033 512 HD2 LYS 28 HD2 LYS 28 13.458 -2.504 -5.012 513 HD3 LYS 28 HD1 LYS 28 13.882 -1.592 -6.456 514 HE2 LYS 28 HE2 LYS 28 15.714 -1.528 -4.102 515 HE3 LYS 28 HE1 LYS 28 15.682 -2.966 -5.116 516 HZ1 LYS 28 HZ1 LYS 28 16.220 -0.206 -6.089 517 HZ2 LYS 28 HZ2 LYS 28 16.232 -1.613 -7.024 518 HZ3 LYS 28 HZ3 LYS 28 17.394 -1.395 -5.816 519 H LYS 29 HN LYS 29 15.610 3.760 -3.753 520 HA LYS 29 HA LYS 29 17.428 4.254 -5.917 521 HB2 LYS 29 HB2 LYS 29 15.895 6.007 -5.198 522 HB3 LYS 29 HB1 LYS 29 16.564 5.968 -3.577 523 HG2 LYS 29 HG2 LYS 29 17.591 7.825 -4.414 524 HG3 LYS 29 HG1 LYS 29 18.791 6.591 -4.805 525 HD2 LYS 29 HD2 LYS 29 16.657 7.423 -6.758 526 HD3 LYS 29 HD1 LYS 29 18.192 8.289 -6.624 527 HE2 LYS 29 HE2 LYS 29 19.383 6.181 -7.106 528 HE3 LYS 29 HE1 LYS 29 17.832 5.372 -7.304 529 HZ1 LYS 29 HZ1 LYS 29 18.775 6.024 -9.428 530 HZ2 LYS 29 HZ2 LYS 29 18.795 7.644 -8.947 531 HZ3 LYS 29 HZ3 LYS 29 17.321 6.837 -9.138 532 H LEU 30 HN LEU 30 17.633 3.851 -2.440 533 HA LEU 30 HA LEU 30 20.473 4.233 -2.327 534 HB2 LEU 30 HB2 LEU 30 18.396 3.322 -0.363 535 HB3 LEU 30 HB1 LEU 30 20.101 3.160 0.008 536 HG LEU 30 HG LEU 30 20.364 5.612 -0.277 537 HD11 LEU 30 HD11 LEU 30 18.397 7.043 -0.327 538 HD12 LEU 30 HD12 LEU 30 17.361 5.625 -0.487 539 HD13 LEU 30 HD13 LEU 30 18.493 6.041 -1.775 540 HD21 LEU 30 HD21 LEU 30 18.289 4.766 1.731 541 HD22 LEU 30 HD22 LEU 30 19.271 6.227 1.814 542 HD23 LEU 30 HD23 LEU 30 20.036 4.643 1.927 543 H VAL 31 HN VAL 31 18.253 1.505 -2.462 544 HA VAL 31 HA VAL 31 20.468 -0.377 -2.696 545 HB VAL 31 HB VAL 31 17.548 -0.998 -3.177 546 HG11 VAL 31 HG11 VAL 31 19.848 -2.722 -2.264 547 HG12 VAL 31 HG12 VAL 31 19.162 -2.689 -3.888 548 HG13 VAL 31 HG13 VAL 31 18.190 -3.259 -2.532 549 HG21 VAL 31 HG21 VAL 31 19.005 -1.053 -0.538 550 HG22 VAL 31 HG22 VAL 31 17.383 -1.678 -0.831 551 HG23 VAL 31 HG23 VAL 31 17.704 0.049 -0.989 552 H GLY 32 HN GLY 32 20.240 1.797 -4.506 553 HA2 GLY 32 HA2 GLY 32 19.927 0.328 -7.042 554 HA3 GLY 32 HA1 GLY 32 19.312 1.968 -6.850 555 H GLU 33 HN GLU 33 21.104 3.445 -5.800 556 HA GLU 33 HA GLU 33 23.694 2.882 -7.074 557 HB2 GLU 33 HB2 GLU 33 22.172 5.493 -7.076 558 HB3 GLU 33 HB1 GLU 33 23.869 5.360 -7.506 559 HG2 GLU 33 HG2 GLU 33 21.645 3.909 -8.920 560 HG3 GLU 33 HG1 GLU 33 22.327 5.447 -9.445 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 -24.123 -5.696 -6.076 2 H2 GLY 1 HT2 GLY 1 -25.047 -6.785 -5.172 3 H3 GLY 1 HT3 GLY 1 -23.360 -6.873 -5.137 4 HA2 GLY 1 HA1 GLY 1 -24.992 -4.629 -4.097 5 HA3 GLY 1 HA2 GLY 1 -24.203 -5.858 -3.118 6 H SER 2 HN SER 2 -23.675 -3.163 -2.728 7 HA SER 2 HA SER 2 -21.293 -2.461 -4.203 8 HB2 SER 2 HB2 SER 2 -21.338 -0.476 -2.573 9 HB3 SER 2 HB1 SER 2 -22.678 -0.620 -3.713 10 HG SER 2 HG SER 2 -23.548 -0.239 -1.710 11 H MET 3 HN MET 3 -22.100 -3.802 -1.086 12 HA MET 3 HA MET 3 -19.862 -3.084 0.387 13 HB2 MET 3 HB2 MET 3 -21.533 -5.590 0.583 14 HB3 MET 3 HB1 MET 3 -20.359 -5.085 1.788 15 HG2 MET 3 HG2 MET 3 -22.821 -3.564 0.968 16 HG3 MET 3 HG1 MET 3 -22.618 -4.497 2.449 17 HE1 MET 3 HE1 MET 3 -20.919 -3.862 4.371 18 HE2 MET 3 HE2 MET 3 -19.892 -2.429 4.352 19 HE3 MET 3 HE3 MET 3 -19.576 -3.756 3.234 20 H LYS 4 HN LYS 4 -20.311 -5.996 -1.615 21 HA LYS 4 HA LYS 4 -17.706 -7.000 -0.927 22 HB2 LYS 4 HB2 LYS 4 -19.723 -7.895 -2.983 23 HB3 LYS 4 HB1 LYS 4 -18.212 -8.735 -2.662 24 HG2 LYS 4 HG2 LYS 4 -18.915 -9.129 -0.361 25 HG3 LYS 4 HG1 LYS 4 -20.428 -8.277 -0.675 26 HD2 LYS 4 HD2 LYS 4 -21.007 -9.938 -2.376 27 HD3 LYS 4 HD1 LYS 4 -19.492 -10.786 -2.067 28 HE2 LYS 4 HE2 LYS 4 -21.362 -11.860 -0.928 29 HE3 LYS 4 HE1 LYS 4 -20.192 -11.221 0.225 30 HZ1 LYS 4 HZ1 LYS 4 -21.621 -9.328 0.595 31 HZ2 LYS 4 HZ2 LYS 4 -22.483 -10.754 0.876 32 HZ3 LYS 4 HZ3 LYS 4 -22.727 -9.888 -0.555 33 H GLN 5 HN GLN 5 -18.920 -4.904 -3.346 34 HA GLN 5 HA GLN 5 -16.803 -5.474 -5.237 35 HB2 GLN 5 HB2 GLN 5 -19.066 -3.469 -5.318 36 HB3 GLN 5 HB1 GLN 5 -17.895 -3.700 -6.610 37 HG2 GLN 5 HG2 GLN 5 -19.872 -5.727 -5.592 38 HG3 GLN 5 HG1 GLN 5 -19.933 -4.865 -7.130 39 HE21 GLN 5 HE21 GLN 5 -19.829 -7.734 -6.538 40 HE22 GLN 5 HE22 GLN 5 -18.449 -8.337 -7.391 41 H LEU 6 HN LEU 6 -17.870 -2.897 -3.089 42 HA LEU 6 HA LEU 6 -15.652 -1.202 -3.544 43 HB2 LEU 6 HB2 LEU 6 -17.692 -1.493 -1.382 44 HB3 LEU 6 HB1 LEU 6 -16.265 -0.540 -1.058 45 HG LEU 6 HG LEU 6 -18.271 0.776 -1.768 46 HD11 LEU 6 HD11 LEU 6 -15.923 1.017 -3.642 47 HD12 LEU 6 HD12 LEU 6 -15.961 1.628 -1.989 48 HD13 LEU 6 HD13 LEU 6 -17.066 2.281 -3.197 49 HD21 LEU 6 HD21 LEU 6 -19.163 -0.774 -3.425 50 HD22 LEU 6 HD22 LEU 6 -17.749 -0.510 -4.445 51 HD23 LEU 6 HD23 LEU 6 -18.871 0.813 -4.131 52 H GLU 7 HN GLU 7 -16.332 -3.781 -1.209 53 HA GLU 7 HA GLU 7 -13.840 -3.758 0.081 54 HB2 GLU 7 HB2 GLU 7 -15.793 -5.016 0.919 55 HB3 GLU 7 HB1 GLU 7 -15.639 -6.136 -0.428 56 HG2 GLU 7 HG2 GLU 7 -13.468 -6.850 0.383 57 HG3 GLU 7 HG1 GLU 7 -13.561 -5.686 1.703 58 H ASP 8 HN ASP 8 -14.913 -5.319 -2.932 59 HA ASP 8 HA ASP 8 -12.555 -6.780 -3.435 60 HB2 ASP 8 HB2 ASP 8 -14.620 -5.574 -5.246 61 HB3 ASP 8 HB1 ASP 8 -13.159 -6.276 -5.931 62 H LYS 9 HN LYS 9 -13.295 -3.395 -3.842 63 HA LYS 9 HA LYS 9 -10.907 -2.779 -5.302 64 HB2 LYS 9 HB2 LYS 9 -12.936 -1.425 -5.542 65 HB3 LYS 9 HB1 LYS 9 -12.852 -0.978 -3.845 66 HG2 LYS 9 HG2 LYS 9 -10.745 0.193 -4.256 67 HG3 LYS 9 HG1 LYS 9 -10.828 -0.259 -5.959 68 HD2 LYS 9 HD2 LYS 9 -12.894 1.397 -4.512 69 HD3 LYS 9 HD1 LYS 9 -11.606 2.051 -5.523 70 HE2 LYS 9 HE2 LYS 9 -13.798 0.184 -6.428 71 HE3 LYS 9 HE1 LYS 9 -13.716 1.916 -6.746 72 HZ1 LYS 9 HZ1 LYS 9 -11.801 -0.135 -7.720 73 HZ2 LYS 9 HZ2 LYS 9 -11.651 1.528 -7.976 74 HZ3 LYS 9 HZ3 LYS 9 -12.951 0.685 -8.648 75 H VAL 10 HN VAL 10 -11.960 -2.529 -1.928 76 HA VAL 10 HA VAL 10 -9.662 -1.270 -0.900 77 HB VAL 10 HB VAL 10 -11.211 -3.366 0.615 78 HG11 VAL 10 HG11 VAL 10 -9.838 -0.840 1.505 79 HG12 VAL 10 HG12 VAL 10 -9.198 -2.478 1.672 80 HG13 VAL 10 HG13 VAL 10 -10.653 -2.006 2.550 81 HG21 VAL 10 HG21 VAL 10 -12.875 -1.822 1.232 82 HG22 VAL 10 HG22 VAL 10 -12.736 -1.690 -0.522 83 HG23 VAL 10 HG23 VAL 10 -11.996 -0.474 0.519 84 H GLU 11 HN GLU 11 -10.491 -4.702 -1.263 85 HA GLU 11 HA GLU 11 -8.048 -5.670 -0.166 86 HB2 GLU 11 HB2 GLU 11 -10.428 -6.801 -0.607 87 HB3 GLU 11 HB1 GLU 11 -9.638 -7.319 -2.084 88 HG2 GLU 11 HG2 GLU 11 -8.540 -7.837 0.667 89 HG3 GLU 11 HG1 GLU 11 -9.579 -8.958 -0.204 90 H GLU 12 HN GLU 12 -8.934 -4.448 -3.252 91 HA GLU 12 HA GLU 12 -6.950 -5.732 -4.833 92 HB2 GLU 12 HB2 GLU 12 -9.084 -4.227 -5.451 93 HB3 GLU 12 HB1 GLU 12 -7.858 -2.970 -5.502 94 HG2 GLU 12 HG2 GLU 12 -7.751 -5.527 -7.084 95 HG3 GLU 12 HG1 GLU 12 -8.346 -3.989 -7.700 96 H LEU 13 HN LEU 13 -7.129 -2.655 -3.083 97 HA LEU 13 HA LEU 13 -4.406 -1.954 -3.433 98 HB2 LEU 13 HB2 LEU 13 -6.289 -1.324 -1.152 99 HB3 LEU 13 HB1 LEU 13 -4.722 -0.578 -1.392 100 HG LEU 13 HG LEU 13 -7.099 -0.320 -3.234 101 HD11 LEU 13 HD11 LEU 13 -5.798 1.635 -1.348 102 HD12 LEU 13 HD12 LEU 13 -7.383 0.887 -1.148 103 HD13 LEU 13 HD13 LEU 13 -7.097 2.007 -2.479 104 HD21 LEU 13 HD21 LEU 13 -5.003 -0.247 -4.466 105 HD22 LEU 13 HD22 LEU 13 -4.373 0.960 -3.345 106 HD23 LEU 13 HD23 LEU 13 -5.739 1.354 -4.389 107 H LEU 14 HN LEU 14 -6.161 -3.600 -0.855 108 HA LEU 14 HA LEU 14 -4.176 -4.057 0.975 109 HB2 LEU 14 HB2 LEU 14 -6.745 -4.677 0.847 110 HB3 LEU 14 HB1 LEU 14 -6.109 -6.247 0.407 111 HG LEU 14 HG LEU 14 -4.760 -6.201 2.535 112 HD11 LEU 14 HD11 LEU 14 -6.578 -3.880 3.160 113 HD12 LEU 14 HD12 LEU 14 -4.834 -3.781 2.908 114 HD13 LEU 14 HD13 LEU 14 -5.477 -4.672 4.288 115 HD21 LEU 14 HD21 LEU 14 -6.819 -7.490 2.299 116 HD22 LEU 14 HD22 LEU 14 -7.762 -6.082 2.783 117 HD23 LEU 14 HD23 LEU 14 -6.656 -6.840 3.929 118 H SER 15 HN SER 15 -4.755 -5.825 -2.001 119 HA SER 15 HA SER 15 -3.030 -7.998 -1.313 120 HB2 SER 15 HB2 SER 15 -3.277 -8.499 -3.839 121 HB3 SER 15 HB1 SER 15 -4.709 -8.617 -2.814 122 HG SER 15 HG SER 15 -5.519 -6.836 -3.692 123 H LYS 16 HN LYS 16 -2.688 -5.093 -3.404 124 HA LYS 16 HA LYS 16 0.053 -5.795 -3.886 125 HB2 LYS 16 HB2 LYS 16 0.387 -3.670 -4.933 126 HB3 LYS 16 HB1 LYS 16 -1.104 -4.381 -5.524 127 HG2 LYS 16 HG2 LYS 16 -2.423 -2.790 -4.456 128 HG3 LYS 16 HG1 LYS 16 -1.137 -2.345 -3.326 129 HD2 LYS 16 HD2 LYS 16 0.080 -1.205 -4.993 130 HD3 LYS 16 HD1 LYS 16 -0.867 -1.927 -6.291 131 HE2 LYS 16 HE2 LYS 16 -2.009 -0.028 -4.247 132 HE3 LYS 16 HE1 LYS 16 -1.363 0.482 -5.808 133 HZ1 LYS 16 HZ1 LYS 16 -3.624 -1.401 -5.411 134 HZ2 LYS 16 HZ2 LYS 16 -2.990 -0.933 -6.904 135 HZ3 LYS 16 HZ3 LYS 16 -3.751 0.208 -5.918 136 H ASN 17 HN ASN 17 -1.636 -3.811 -1.533 137 HA ASN 17 HA ASN 17 0.533 -2.662 -0.181 138 HB2 ASN 17 HB2 ASN 17 -2.052 -3.852 0.863 139 HB3 ASN 17 HB1 ASN 17 -0.884 -3.059 1.910 140 HD21 ASN 17 HD21 ASN 17 -2.302 -1.472 2.491 141 HD22 ASN 17 HD22 ASN 17 -2.745 -0.191 1.411 142 H TYR 18 HN TYR 18 -0.874 -5.921 0.038 143 HA TYR 18 HA TYR 18 0.685 -6.987 2.063 144 HB2 TYR 18 HB2 TYR 18 -1.174 -8.178 0.955 145 HB3 TYR 18 HB1 TYR 18 -0.186 -8.371 -0.487 146 HD1 TYR 18 HD1 TYR 18 -0.521 -9.362 3.059 147 HD2 TYR 18 HD2 TYR 18 1.393 -10.131 -0.661 148 HE1 TYR 18 HE1 TYR 18 0.343 -11.483 3.949 149 HE2 TYR 18 HE2 TYR 18 2.265 -12.252 0.222 150 HH TYR 18 HH TYR 18 1.135 -13.659 3.076 151 H HIS 19 HN HIS 19 1.435 -6.748 -1.384 152 HA HIS 19 HA HIS 19 4.049 -7.913 -1.059 153 HB2 HIS 19 HB2 HIS 19 2.702 -6.596 -3.421 154 HB3 HIS 19 HB1 HIS 19 4.311 -7.307 -3.484 155 HD1 HIS 19 HD1 HIS 19 0.736 -8.153 -3.694 156 HD2 HIS 19 HD2 HIS 19 4.332 -10.166 -3.112 157 HE1 HIS 19 HE1 HIS 19 0.225 -10.581 -4.083 158 HE2 HIS 19 HE2 HIS 19 2.442 -11.757 -3.871 159 H LEU 20 HN LEU 20 2.763 -4.669 -1.657 160 HA LEU 20 HA LEU 20 5.213 -3.375 -2.004 161 HB2 LEU 20 HB2 LEU 20 3.313 -2.337 -2.875 162 HB3 LEU 20 HB1 LEU 20 2.391 -2.554 -1.414 163 HG LEU 20 HG LEU 20 3.416 -0.736 -0.376 164 HD11 LEU 20 HD11 LEU 20 5.711 -1.317 -1.262 165 HD12 LEU 20 HD12 LEU 20 5.333 0.396 -1.116 166 HD13 LEU 20 HD13 LEU 20 5.275 -0.391 -2.698 167 HD21 LEU 20 HD21 LEU 20 2.957 1.112 -1.824 168 HD22 LEU 20 HD22 LEU 20 1.749 -0.152 -2.082 169 HD23 LEU 20 HD23 LEU 20 3.066 0.067 -3.240 170 H GLU 21 HN GLU 21 3.301 -4.044 0.918 171 HA GLU 21 HA GLU 21 4.908 -2.370 2.582 172 HB2 GLU 21 HB2 GLU 21 2.487 -3.283 2.971 173 HB3 GLU 21 HB1 GLU 21 3.329 -4.665 3.661 174 HG2 GLU 21 HG2 GLU 21 4.483 -3.165 5.219 175 HG3 GLU 21 HG1 GLU 21 3.585 -1.803 4.538 176 H ASN 22 HN ASN 22 4.934 -5.775 1.692 177 HA ASN 22 HA ASN 22 7.118 -6.446 3.416 178 HB2 ASN 22 HB2 ASN 22 5.870 -7.811 1.038 179 HB3 ASN 22 HB1 ASN 22 7.328 -8.442 1.795 180 HD21 ASN 22 HD21 ASN 22 4.684 -9.628 1.595 181 HD22 ASN 22 HD22 ASN 22 4.166 -9.927 3.220 182 H GLU 23 HN GLU 23 6.782 -5.108 0.234 183 HA GLU 23 HA GLU 23 9.392 -5.517 -0.721 184 HB2 GLU 23 HB2 GLU 23 7.476 -4.743 -2.106 185 HB3 GLU 23 HB1 GLU 23 7.550 -3.188 -1.295 186 HG2 GLU 23 HG2 GLU 23 8.620 -2.999 -3.416 187 HG3 GLU 23 HG1 GLU 23 9.845 -2.890 -2.158 188 H VAL 24 HN VAL 24 7.964 -2.799 1.102 189 HA VAL 24 HA VAL 24 10.333 -1.301 1.298 190 HB VAL 24 HB VAL 24 7.918 -1.375 3.150 191 HG11 VAL 24 HG11 VAL 24 9.986 -0.734 4.391 192 HG12 VAL 24 HG12 VAL 24 8.829 0.590 4.246 193 HG13 VAL 24 HG13 VAL 24 10.255 0.546 3.204 194 HG21 VAL 24 HG21 VAL 24 8.934 0.592 1.114 195 HG22 VAL 24 HG22 VAL 24 7.584 0.880 2.211 196 HG23 VAL 24 HG23 VAL 24 7.483 -0.407 1.010 197 H ALA 25 HN ALA 25 8.911 -3.723 3.481 198 HA ALA 25 HA ALA 25 10.750 -3.621 5.547 199 HB1 ALA 25 HB1 ALA 25 9.329 -6.071 4.499 200 HB2 ALA 25 HB2 ALA 25 8.658 -4.901 5.637 201 HB3 ALA 25 HB3 ALA 25 10.042 -5.891 6.102 202 H ARG 26 HN ARG 26 10.881 -5.524 2.567 203 HA ARG 26 HA ARG 26 13.293 -6.863 3.054 204 HB2 ARG 26 HB2 ARG 26 11.810 -7.486 1.225 205 HB3 ARG 26 HB1 ARG 26 12.070 -5.932 0.448 206 HG2 ARG 26 HG2 ARG 26 14.445 -6.514 0.142 207 HG3 ARG 26 HG1 ARG 26 14.122 -8.100 0.847 208 HD2 ARG 26 HD2 ARG 26 12.572 -8.615 -0.933 209 HD3 ARG 26 HD1 ARG 26 12.753 -6.995 -1.601 210 HE ARG 26 HE ARG 26 15.221 -8.471 -1.419 211 HH11 ARG 26 HH11 ARG 26 12.396 -7.826 -3.378 212 HH12 ARG 26 HH12 ARG 26 13.177 -8.236 -4.871 213 HH21 ARG 26 HH21 ARG 26 16.259 -9.010 -3.390 214 HH22 ARG 26 HH22 ARG 26 15.374 -8.911 -4.880 215 H LEU 27 HN LEU 27 12.722 -3.896 1.164 216 HA LEU 27 HA LEU 27 15.408 -3.324 0.632 217 HB2 LEU 27 HB2 LEU 27 12.882 -1.759 0.615 218 HB3 LEU 27 HB1 LEU 27 14.391 -0.889 0.558 219 HG LEU 27 HG LEU 27 14.968 -1.737 -1.545 220 HD11 LEU 27 HD11 LEU 27 14.504 -4.103 -1.104 221 HD12 LEU 27 HD12 LEU 27 13.825 -3.588 -2.647 222 HD13 LEU 27 HD13 LEU 27 12.774 -3.789 -1.245 223 HD21 LEU 27 HD21 LEU 27 11.975 -1.387 -1.527 224 HD22 LEU 27 HD22 LEU 27 13.009 -1.307 -2.954 225 HD23 LEU 27 HD23 LEU 27 13.180 -0.107 -1.673 226 H LYS 28 HN LYS 28 13.380 -2.500 3.366 227 HA LYS 28 HA LYS 28 15.036 -0.543 4.523 228 HB2 LYS 28 HB2 LYS 28 12.640 -0.977 5.094 229 HB3 LYS 28 HB1 LYS 28 13.150 -2.429 5.938 230 HG2 LYS 28 HG2 LYS 28 12.802 -0.721 7.548 231 HG3 LYS 28 HG1 LYS 28 14.536 -1.003 7.429 232 HD2 LYS 28 HD2 LYS 28 13.484 1.086 5.643 233 HD3 LYS 28 HD1 LYS 28 13.366 1.446 7.367 234 HE2 LYS 28 HE2 LYS 28 15.803 0.864 7.549 235 HE3 LYS 28 HE1 LYS 28 15.845 0.782 5.789 236 HZ1 LYS 28 HZ1 LYS 28 16.566 2.938 6.537 237 HZ2 LYS 28 HZ2 LYS 28 15.141 3.162 7.416 238 HZ3 LYS 28 HZ3 LYS 28 15.089 3.099 5.729 239 H LYS 29 HN LYS 29 15.172 -4.021 4.530 240 HA LYS 29 HA LYS 29 17.216 -4.090 6.595 241 HB2 LYS 29 HB2 LYS 29 15.614 -5.950 6.378 242 HB3 LYS 29 HB1 LYS 29 16.212 -6.272 4.756 243 HG2 LYS 29 HG2 LYS 29 18.405 -6.818 5.666 244 HG3 LYS 29 HG1 LYS 29 17.817 -6.477 7.295 245 HD2 LYS 29 HD2 LYS 29 16.183 -8.275 7.089 246 HD3 LYS 29 HD1 LYS 29 16.746 -8.608 5.443 247 HE2 LYS 29 HE2 LYS 29 18.404 -8.823 7.956 248 HE3 LYS 29 HE1 LYS 29 17.699 -10.175 7.073 249 HZ1 LYS 29 HZ1 LYS 29 20.028 -9.865 6.518 250 HZ2 LYS 29 HZ2 LYS 29 19.726 -8.285 6.002 251 HZ3 LYS 29 HZ3 LYS 29 19.056 -9.592 5.163 252 H LEU 30 HN LEU 30 16.944 -4.346 3.108 253 HA LEU 30 HA LEU 30 19.583 -5.017 2.494 254 HB2 LEU 30 HB2 LEU 30 17.309 -3.806 1.034 255 HB3 LEU 30 HB1 LEU 30 18.900 -3.648 0.323 256 HG LEU 30 HG LEU 30 19.148 -6.080 0.309 257 HD11 LEU 30 HD11 LEU 30 17.791 -6.644 2.236 258 HD12 LEU 30 HD12 LEU 30 17.258 -7.535 0.811 259 HD13 LEU 30 HD13 LEU 30 16.338 -6.141 1.375 260 HD21 LEU 30 HD21 LEU 30 18.230 -4.990 -1.650 261 HD22 LEU 30 HD22 LEU 30 16.606 -5.106 -0.972 262 HD23 LEU 30 HD23 LEU 30 17.480 -6.570 -1.419 263 H VAL 31 HN VAL 31 18.061 -1.777 2.578 264 HA VAL 31 HA VAL 31 20.703 -0.561 2.419 265 HB VAL 31 HB VAL 31 18.733 0.445 1.229 266 HG11 VAL 31 HG11 VAL 31 17.850 1.188 4.007 267 HG12 VAL 31 HG12 VAL 31 17.004 0.130 2.877 268 HG13 VAL 31 HG13 VAL 31 17.184 1.848 2.512 269 HG21 VAL 31 HG21 VAL 31 19.226 2.816 2.091 270 HG22 VAL 31 HG22 VAL 31 20.550 1.872 1.412 271 HG23 VAL 31 HG23 VAL 31 20.381 2.024 3.161 272 H GLY 32 HN GLY 32 18.736 -1.828 4.770 273 HA2 GLY 32 HA2 GLY 32 19.220 -0.014 6.916 274 HA3 GLY 32 HA1 GLY 32 18.634 -1.667 7.054 275 H GLU 33 HN GLU 33 20.520 -3.238 6.195 276 HA GLU 33 HA GLU 33 22.468 -4.266 6.711 277 HB2 GLU 33 HB2 GLU 33 23.506 -1.430 6.851 278 HB3 GLU 33 HB1 GLU 33 24.513 -2.870 6.821 279 HG2 GLU 33 HG2 GLU 33 22.625 -2.007 4.641 280 HG3 GLU 33 HG1 GLU 33 24.375 -1.796 4.631 281 H1 GLY 1 HT1 GLY 1 -24.307 5.833 5.051 282 H2 GLY 1 HT2 GLY 1 -25.183 6.922 4.106 283 H3 GLY 1 HT3 GLY 1 -23.493 7.002 4.143 284 HA2 GLY 1 HA1 GLY 1 -25.094 4.763 3.041 285 HA3 GLY 1 HA2 GLY 1 -24.259 5.983 2.092 286 H SER 2 HN SER 2 -23.744 3.279 1.755 287 HA SER 2 HA SER 2 -21.420 2.568 3.309 288 HB2 SER 2 HB2 SER 2 -21.419 0.579 1.684 289 HB3 SER 2 HB1 SER 2 -22.804 0.738 2.766 290 HG SER 2 HG SER 2 -23.569 0.346 0.709 291 H MET 3 HN MET 3 -22.097 3.903 0.154 292 HA MET 3 HA MET 3 -19.808 3.169 -1.225 293 HB2 MET 3 HB2 MET 3 -21.447 5.689 -1.495 294 HB3 MET 3 HB1 MET 3 -20.228 5.170 -2.650 295 HG2 MET 3 HG2 MET 3 -22.738 3.675 -1.932 296 HG3 MET 3 HG1 MET 3 -22.464 4.602 -3.403 297 HE1 MET 3 HE1 MET 3 -20.691 3.939 -5.255 298 HE2 MET 3 HE2 MET 3 -19.680 2.497 -5.184 299 HE3 MET 3 HE3 MET 3 -19.402 3.825 -4.057 300 H LYS 4 HN LYS 4 -20.313 6.095 0.751 301 HA LYS 4 HA LYS 4 -17.677 7.077 0.162 302 HB2 LYS 4 HB2 LYS 4 -19.767 7.996 2.132 303 HB3 LYS 4 HB1 LYS 4 -18.238 8.822 1.868 304 HG2 LYS 4 HG2 LYS 4 -18.844 9.212 -0.462 305 HG3 LYS 4 HG1 LYS 4 -20.373 8.369 -0.207 306 HD2 LYS 4 HD2 LYS 4 -21.012 10.040 1.463 307 HD3 LYS 4 HD1 LYS 4 -19.481 10.878 1.211 308 HE2 LYS 4 HE2 LYS 4 -21.295 11.959 -0.012 309 HE3 LYS 4 HE1 LYS 4 -20.084 11.303 -1.111 310 HZ1 LYS 4 HZ1 LYS 4 -21.511 9.418 -1.530 311 HZ2 LYS 4 HZ2 LYS 4 -22.348 10.852 -1.852 312 HZ3 LYS 4 HZ3 LYS 4 -22.659 9.995 -0.431 313 H GLN 5 HN GLN 5 -18.998 5.002 2.540 314 HA GLN 5 HA GLN 5 -16.958 5.562 4.514 315 HB2 GLN 5 HB2 GLN 5 -19.233 3.570 4.505 316 HB3 GLN 5 HB1 GLN 5 -18.116 3.799 5.845 317 HG2 GLN 5 HG2 GLN 5 -20.038 5.832 4.737 318 HG3 GLN 5 HG1 GLN 5 -20.169 4.978 6.274 319 HE21 GLN 5 HE21 GLN 5 -20.020 7.844 5.680 320 HE22 GLN 5 HE22 GLN 5 -18.674 8.442 6.583 321 H LEU 6 HN LEU 6 -17.953 2.984 2.334 322 HA LEU 6 HA LEU 6 -15.767 1.277 2.880 323 HB2 LEU 6 HB2 LEU 6 -17.716 1.573 0.636 324 HB3 LEU 6 HB1 LEU 6 -16.282 0.608 0.376 325 HG LEU 6 HG LEU 6 -18.326 -0.692 1.005 326 HD11 LEU 6 HD11 LEU 6 -16.059 -0.943 2.976 327 HD12 LEU 6 HD12 LEU 6 -16.031 -1.558 1.325 328 HD13 LEU 6 HD13 LEU 6 -17.191 -2.201 2.486 329 HD21 LEU 6 HD21 LEU 6 -19.274 0.870 2.619 330 HD22 LEU 6 HD22 LEU 6 -17.905 0.600 3.698 331 HD23 LEU 6 HD23 LEU 6 -19.021 -0.718 3.342 332 H GLU 7 HN GLU 7 -16.336 3.852 0.508 333 HA GLU 7 HA GLU 7 -13.796 3.803 -0.680 334 HB2 GLU 7 HB2 GLU 7 -15.703 5.073 -1.602 335 HB3 GLU 7 HB1 GLU 7 -15.595 6.198 -0.254 336 HG2 GLU 7 HG2 GLU 7 -13.386 6.892 -0.976 337 HG3 GLU 7 HG1 GLU 7 -13.432 5.725 -2.296 338 H ASP 8 HN ASP 8 -14.977 5.382 2.282 339 HA ASP 8 HA ASP 8 -12.628 6.829 2.873 340 HB2 ASP 8 HB2 ASP 8 -14.778 5.656 4.608 341 HB3 ASP 8 HB1 ASP 8 -13.339 6.346 5.346 342 H LYS 9 HN LYS 9 -13.408 3.450 3.248 343 HA LYS 9 HA LYS 9 -11.090 2.827 4.821 344 HB2 LYS 9 HB2 LYS 9 -13.137 1.487 4.984 345 HB3 LYS 9 HB1 LYS 9 -12.988 1.030 3.295 346 HG2 LYS 9 HG2 LYS 9 -10.908 -0.151 3.794 347 HG3 LYS 9 HG1 LYS 9 -11.055 0.310 5.490 348 HD2 LYS 9 HD2 LYS 9 -13.072 -1.339 3.972 349 HD3 LYS 9 HD1 LYS 9 -11.828 -1.997 5.035 350 HE2 LYS 9 HE2 LYS 9 -14.037 -0.110 5.851 351 HE3 LYS 9 HE1 LYS 9 -13.988 -1.841 6.172 352 HZ1 LYS 9 HZ1 LYS 9 -12.096 0.191 7.226 353 HZ2 LYS 9 HZ2 LYS 9 -11.965 -1.473 7.481 354 HZ3 LYS 9 HZ3 LYS 9 -13.286 -0.625 8.107 355 H VAL 10 HN VAL 10 -12.001 2.579 1.410 356 HA VAL 10 HA VAL 10 -9.676 1.294 0.479 357 HB VAL 10 HB VAL 10 -11.149 3.397 -1.103 358 HG11 VAL 10 HG11 VAL 10 -9.756 0.858 -1.929 359 HG12 VAL 10 HG12 VAL 10 -9.101 2.491 -2.077 360 HG13 VAL 10 HG13 VAL 10 -10.522 2.025 -3.011 361 HG21 VAL 10 HG21 VAL 10 -12.797 1.861 -1.782 362 HG22 VAL 10 HG22 VAL 10 -12.729 1.735 -0.023 363 HG23 VAL 10 HG23 VAL 10 -11.955 0.511 -1.028 364 H GLU 11 HN GLU 11 -10.494 4.734 0.793 365 HA GLU 11 HA GLU 11 -8.000 5.681 -0.200 366 HB2 GLU 11 HB2 GLU 11 -10.392 6.827 0.133 367 HB3 GLU 11 HB1 GLU 11 -9.661 7.351 1.640 368 HG2 GLU 11 HG2 GLU 11 -8.449 7.847 -1.068 369 HG3 GLU 11 HG1 GLU 11 -9.514 8.980 -0.246 370 H GLU 12 HN GLU 12 -9.024 4.488 2.856 371 HA GLU 12 HA GLU 12 -7.094 5.756 4.507 372 HB2 GLU 12 HB2 GLU 12 -9.258 4.263 5.042 373 HB3 GLU 12 HB1 GLU 12 -8.042 3.001 5.140 374 HG2 GLU 12 HG2 GLU 12 -7.983 5.556 6.722 375 HG3 GLU 12 HG1 GLU 12 -8.608 4.023 7.317 376 H LEU 13 HN LEU 13 -7.224 2.680 2.748 377 HA LEU 13 HA LEU 13 -4.524 1.953 3.221 378 HB2 LEU 13 HB2 LEU 13 -6.314 1.326 0.867 379 HB3 LEU 13 HB1 LEU 13 -4.762 0.573 1.170 380 HG LEU 13 HG LEU 13 -7.209 0.332 2.917 381 HD11 LEU 13 HD11 LEU 13 -5.851 -1.637 1.092 382 HD12 LEU 13 HD12 LEU 13 -7.420 -0.879 0.826 383 HD13 LEU 13 HD13 LEU 13 -7.197 -1.996 2.172 384 HD21 LEU 13 HD21 LEU 13 -5.165 0.250 4.233 385 HD22 LEU 13 HD22 LEU 13 -4.498 -0.963 3.141 386 HD23 LEU 13 HD23 LEU 13 -5.906 -1.346 4.131 387 H LEU 14 HN LEU 14 -6.159 3.606 0.572 388 HA LEU 14 HA LEU 14 -4.103 4.035 -1.183 389 HB2 LEU 14 HB2 LEU 14 -6.669 4.675 -1.155 390 HB3 LEU 14 HB1 LEU 14 -6.036 6.241 -0.697 391 HG LEU 14 HG LEU 14 -4.607 6.176 -2.771 392 HD11 LEU 14 HD11 LEU 14 -6.418 3.868 -3.459 393 HD12 LEU 14 HD12 LEU 14 -4.685 3.757 -3.140 394 HD13 LEU 14 HD13 LEU 14 -5.269 4.649 -4.545 395 HD21 LEU 14 HD21 LEU 14 -6.665 7.483 -2.624 396 HD22 LEU 14 HD22 LEU 14 -7.596 6.077 -3.142 397 HD23 LEU 14 HD23 LEU 14 -6.437 6.820 -4.242 398 H SER 15 HN SER 15 -4.790 5.825 1.755 399 HA SER 15 HA SER 15 -3.018 7.975 1.135 400 HB2 SER 15 HB2 SER 15 -3.366 8.495 3.644 401 HB3 SER 15 HB1 SER 15 -4.751 8.624 2.561 402 HG SER 15 HG SER 15 -5.607 6.836 3.396 403 H LYS 16 HN LYS 16 -2.783 5.082 3.256 404 HA LYS 16 HA LYS 16 -0.057 5.763 3.840 405 HB2 LYS 16 HB2 LYS 16 0.219 3.641 4.905 406 HB3 LYS 16 HB1 LYS 16 -1.291 4.362 5.429 407 HG2 LYS 16 HG2 LYS 16 -2.574 2.778 4.315 408 HG3 LYS 16 HG1 LYS 16 -1.246 2.320 3.237 409 HD2 LYS 16 HD2 LYS 16 -0.104 1.178 4.954 410 HD3 LYS 16 HD1 LYS 16 -1.093 1.912 6.213 411 HE2 LYS 16 HE2 LYS 16 -2.172 0.012 4.136 412 HE3 LYS 16 HE1 LYS 16 -1.589 -0.494 5.720 413 HZ1 LYS 16 HZ1 LYS 16 -3.820 1.399 5.230 414 HZ2 LYS 16 HZ2 LYS 16 -3.242 0.942 6.748 415 HZ3 LYS 16 HZ3 LYS 16 -3.972 -0.207 5.744 416 H ASN 17 HN ASN 17 -1.666 3.788 1.422 417 HA ASN 17 HA ASN 17 0.548 2.617 0.164 418 HB2 ASN 17 HB2 ASN 17 -1.987 3.817 -0.990 419 HB3 ASN 17 HB1 ASN 17 -0.782 3.011 -1.985 420 HD21 ASN 17 HD21 ASN 17 -2.193 1.433 -2.612 421 HD22 ASN 17 HD22 ASN 17 -2.678 0.157 -1.547 422 H TYR 18 HN TYR 18 -0.824 5.884 -0.114 423 HA TYR 18 HA TYR 18 0.818 6.931 -2.084 424 HB2 TYR 18 HB2 TYR 18 -1.073 8.139 -1.061 425 HB3 TYR 18 HB1 TYR 18 -0.147 8.327 0.423 426 HD1 TYR 18 HD1 TYR 18 -0.326 9.308 -3.134 427 HD2 TYR 18 HD2 TYR 18 1.438 10.078 0.661 428 HE1 TYR 18 HE1 TYR 18 0.589 11.423 -3.992 429 HE2 TYR 18 HE2 TYR 18 2.359 12.193 -0.189 430 HH TYR 18 HH TYR 18 1.362 13.575 -3.126 431 H HIS 19 HN HIS 19 1.431 6.706 1.392 432 HA HIS 19 HA HIS 19 4.065 7.848 1.164 433 HB2 HIS 19 HB2 HIS 19 2.611 6.546 3.470 434 HB3 HIS 19 HB1 HIS 19 4.221 7.245 3.599 435 HD1 HIS 19 HD1 HIS 19 0.651 8.120 3.652 436 HD2 HIS 19 HD2 HIS 19 4.280 10.102 3.217 437 HE1 HIS 19 HE1 HIS 19 0.142 10.551 4.012 438 HE2 HIS 19 HE2 HIS 19 2.378 11.699 3.937 439 H LEU 20 HN LEU 20 2.733 4.612 1.731 440 HA LEU 20 HA LEU 20 5.158 3.303 2.174 441 HB2 LEU 20 HB2 LEU 20 3.218 2.281 2.972 442 HB3 LEU 20 HB1 LEU 20 2.356 2.499 1.476 443 HG LEU 20 HG LEU 20 3.411 0.670 0.485 444 HD11 LEU 20 HD11 LEU 20 5.670 1.237 1.461 445 HD12 LEU 20 HD12 LEU 20 5.285 -0.474 1.307 446 HD13 LEU 20 HD13 LEU 20 5.170 0.320 2.881 447 HD21 LEU 20 HD21 LEU 20 2.879 -1.168 1.916 448 HD22 LEU 20 HD22 LEU 20 1.669 0.105 2.122 449 HD23 LEU 20 HD23 LEU 20 2.939 -0.120 3.331 450 H GLU 21 HN GLU 21 3.370 3.975 -0.822 451 HA GLU 21 HA GLU 21 5.027 2.285 -2.420 452 HB2 GLU 21 HB2 GLU 21 2.631 3.216 -2.904 453 HB3 GLU 21 HB1 GLU 21 3.510 4.591 -3.563 454 HG2 GLU 21 HG2 GLU 21 4.710 3.078 -5.075 455 HG3 GLU 21 HG1 GLU 21 3.777 1.724 -4.427 456 H ASN 22 HN ASN 22 5.052 5.688 -1.530 457 HA ASN 22 HA ASN 22 7.302 6.340 -3.178 458 HB2 ASN 22 HB2 ASN 22 5.965 7.719 -0.859 459 HB3 ASN 22 HB1 ASN 22 7.455 8.341 -1.558 460 HD21 ASN 22 HD21 ASN 22 4.828 9.554 -1.471 461 HD22 ASN 22 HD22 ASN 22 4.372 9.846 -3.116 462 H GLU 23 HN GLU 23 6.831 5.030 0.002 463 HA GLU 23 HA GLU 23 9.402 5.417 1.055 464 HB2 GLU 23 HB2 GLU 23 7.427 4.667 2.366 465 HB3 GLU 23 HB1 GLU 23 7.515 3.107 1.563 466 HG2 GLU 23 HG2 GLU 23 8.496 2.916 3.729 467 HG3 GLU 23 HG1 GLU 23 9.772 2.790 2.521 468 H VAL 24 HN VAL 24 8.027 2.698 -0.810 469 HA VAL 24 HA VAL 24 10.393 1.186 -0.910 470 HB VAL 24 HB VAL 24 8.054 1.269 -2.859 471 HG11 VAL 24 HG11 VAL 24 10.166 0.610 -4.016 472 HG12 VAL 24 HG12 VAL 24 8.996 -0.706 -3.911 473 HG13 VAL 24 HG13 VAL 24 10.380 -0.668 -2.815 474 HG21 VAL 24 HG21 VAL 24 8.973 -0.698 -0.777 475 HG22 VAL 24 HG22 VAL 24 7.668 -0.982 -1.927 476 HG23 VAL 24 HG23 VAL 24 7.526 0.311 -0.736 477 H ALA 25 HN ALA 25 9.079 3.618 -3.149 478 HA ALA 25 HA ALA 25 10.995 3.485 -5.148 479 HB1 ALA 25 HB1 ALA 25 9.549 5.950 -4.171 480 HB2 ALA 25 HB2 ALA 25 8.917 4.781 -5.329 481 HB3 ALA 25 HB3 ALA 25 10.326 5.760 -5.743 482 H ARG 26 HN ARG 26 11.022 5.389 -2.165 483 HA ARG 26 HA ARG 26 13.457 6.720 -2.564 484 HB2 ARG 26 HB2 ARG 26 11.906 7.361 -0.800 485 HB3 ARG 26 HB1 ARG 26 12.125 5.808 -0.007 486 HG2 ARG 26 HG2 ARG 26 14.491 6.374 0.389 487 HG3 ARG 26 HG1 ARG 26 14.207 7.960 -0.332 488 HD2 ARG 26 HD2 ARG 26 12.592 8.492 1.384 489 HD3 ARG 26 HD1 ARG 26 12.738 6.873 2.065 490 HE ARG 26 HE ARG 26 15.220 8.333 1.971 491 HH11 ARG 26 HH11 ARG 26 12.314 7.717 3.824 492 HH12 ARG 26 HH12 ARG 26 13.041 8.125 5.344 493 HH21 ARG 26 HH21 ARG 26 16.187 8.867 3.982 494 HH22 ARG 26 HH22 ARG 26 15.241 8.779 5.434 495 H LEU 27 HN LEU 27 12.794 3.764 -0.691 496 HA LEU 27 HA LEU 27 15.454 3.176 -0.047 497 HB2 LEU 27 HB2 LEU 27 12.914 1.633 -0.127 498 HB3 LEU 27 HB1 LEU 27 14.411 0.749 -0.005 499 HG LEU 27 HG LEU 27 14.910 1.599 2.118 500 HD11 LEU 27 HD11 LEU 27 14.483 3.966 1.653 501 HD12 LEU 27 HD12 LEU 27 13.738 3.462 3.168 502 HD13 LEU 27 HD13 LEU 27 12.747 3.668 1.725 503 HD21 LEU 27 HD21 LEU 27 11.919 1.270 1.978 504 HD22 LEU 27 HD22 LEU 27 12.892 1.188 3.447 505 HD23 LEU 27 HD23 LEU 27 13.108 -0.017 2.177 506 H LYS 28 HN LYS 28 13.528 2.357 -2.856 507 HA LYS 28 HA LYS 28 15.215 0.383 -3.938 508 HB2 LYS 28 HB2 LYS 28 12.847 0.832 -4.610 509 HB3 LYS 28 HB1 LYS 28 13.403 2.276 -5.438 510 HG2 LYS 28 HG2 LYS 28 13.106 0.562 -7.054 511 HG3 LYS 28 HG1 LYS 28 14.835 0.836 -6.866 512 HD2 LYS 28 HD2 LYS 28 13.699 -1.247 -5.123 513 HD3 LYS 28 HD1 LYS 28 13.656 -1.608 -6.850 514 HE2 LYS 28 HE2 LYS 28 16.099 -1.032 -6.926 515 HE3 LYS 28 HE1 LYS 28 16.067 -0.947 -5.166 516 HZ1 LYS 28 HZ1 LYS 28 16.820 -3.103 -5.887 517 HZ2 LYS 28 HZ2 LYS 28 15.427 -3.329 -6.817 518 HZ3 LYS 28 HZ3 LYS 28 15.312 -3.263 -5.132 519 H LYS 29 HN LYS 29 15.372 3.864 -3.963 520 HA LYS 29 HA LYS 29 17.498 3.907 -5.939 521 HB2 LYS 29 HB2 LYS 29 15.906 5.782 -5.789 522 HB3 LYS 29 HB1 LYS 29 16.442 6.103 -4.145 523 HG2 LYS 29 HG2 LYS 29 18.673 6.633 -4.962 524 HG3 LYS 29 HG1 LYS 29 18.152 6.288 -6.617 525 HD2 LYS 29 HD2 LYS 29 16.516 8.095 -6.486 526 HD3 LYS 29 HD1 LYS 29 17.013 8.433 -4.821 527 HE2 LYS 29 HE2 LYS 29 18.775 8.631 -7.265 528 HE3 LYS 29 HE1 LYS 29 18.037 9.990 -6.417 529 HZ1 LYS 29 HZ1 LYS 29 20.331 9.684 -5.754 530 HZ2 LYS 29 HZ2 LYS 29 20.016 8.099 -5.262 531 HZ3 LYS 29 HZ3 LYS 29 19.304 9.394 -4.445 532 H LEU 30 HN LEU 30 17.096 4.180 -2.465 533 HA LEU 30 HA LEU 30 19.711 4.834 -1.745 534 HB2 LEU 30 HB2 LEU 30 17.371 3.640 -0.377 535 HB3 LEU 30 HB1 LEU 30 18.930 3.477 0.400 536 HG LEU 30 HG LEU 30 19.189 5.907 0.418 537 HD11 LEU 30 HD11 LEU 30 17.919 6.472 -1.568 538 HD12 LEU 30 HD12 LEU 30 17.336 7.371 -0.170 539 HD13 LEU 30 HD13 LEU 30 16.427 5.982 -0.765 540 HD21 LEU 30 HD21 LEU 30 18.182 4.830 2.339 541 HD22 LEU 30 HD22 LEU 30 16.590 4.954 1.595 542 HD23 LEU 30 HD23 LEU 30 17.456 6.414 2.073 543 H VAL 31 HN VAL 31 18.168 1.608 -1.887 544 HA VAL 31 HA VAL 31 20.793 0.373 -1.615 545 HB VAL 31 HB VAL 31 18.772 -0.614 -0.496 546 HG11 VAL 31 HG11 VAL 31 17.990 -1.359 -3.304 547 HG12 VAL 31 HG12 VAL 31 17.110 -0.294 -2.207 548 HG13 VAL 31 HG13 VAL 31 17.265 -2.013 -1.836 549 HG21 VAL 31 HG21 VAL 31 19.291 -2.993 -1.335 550 HG22 VAL 31 HG22 VAL 31 20.586 -2.052 -0.601 551 HG23 VAL 31 HG23 VAL 31 20.491 -2.204 -2.356 552 H GLY 32 HN GLY 32 18.937 1.650 -4.041 553 HA2 GLY 32 HA2 GLY 32 19.484 -0.180 -6.162 554 HA3 GLY 32 HA1 GLY 32 18.916 1.476 -6.328 555 H GLU 33 HN GLU 33 20.782 3.037 -5.393 556 HA GLU 33 HA GLU 33 22.756 4.050 -5.845 557 HB2 GLU 33 HB2 GLU 33 23.778 1.206 -5.928 558 HB3 GLU 33 HB1 GLU 33 24.793 2.639 -5.862 559 HG2 GLU 33 HG2 GLU 33 22.810 1.798 -3.760 560 HG3 GLU 33 HG1 GLU 33 24.556 1.575 -3.677 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 -26.415 -4.723 -5.779 2 H2 GLY 1 HT2 GLY 1 -27.013 -3.778 -4.512 3 H3 GLY 1 HT3 GLY 1 -27.389 -5.424 -4.590 4 HA2 GLY 1 HA1 GLY 1 -25.705 -5.022 -2.919 5 HA3 GLY 1 HA2 GLY 1 -25.089 -6.014 -4.233 6 H SER 2 HN SER 2 -23.480 -4.517 -2.469 7 HA SER 2 HA SER 2 -21.986 -2.964 -4.381 8 HB2 SER 2 HB2 SER 2 -21.917 -0.987 -2.701 9 HB3 SER 2 HB1 SER 2 -23.334 -1.149 -3.745 10 HG SER 2 HG SER 2 -24.533 -1.640 -2.063 11 H MET 3 HN MET 3 -22.392 -4.218 -1.141 12 HA MET 3 HA MET 3 -20.054 -3.463 0.068 13 HB2 MET 3 HB2 MET 3 -21.725 -5.935 0.394 14 HB3 MET 3 HB1 MET 3 -20.297 -5.654 1.380 15 HG2 MET 3 HG2 MET 3 -22.664 -3.806 1.188 16 HG3 MET 3 HG1 MET 3 -22.362 -4.952 2.493 17 HE1 MET 3 HE1 MET 3 -22.631 -2.913 4.216 18 HE2 MET 3 HE2 MET 3 -22.865 -1.784 2.881 19 HE3 MET 3 HE3 MET 3 -21.671 -1.435 4.131 20 H LYS 4 HN LYS 4 -20.506 -6.443 -1.871 21 HA LYS 4 HA LYS 4 -17.822 -7.283 -1.361 22 HB2 LYS 4 HB2 LYS 4 -18.252 -9.115 -2.853 23 HB3 LYS 4 HB1 LYS 4 -19.652 -8.880 -1.819 24 HG2 LYS 4 HG2 LYS 4 -20.827 -7.768 -3.634 25 HG3 LYS 4 HG1 LYS 4 -19.409 -7.943 -4.670 26 HD2 LYS 4 HD2 LYS 4 -19.575 -10.390 -4.445 27 HD3 LYS 4 HD1 LYS 4 -21.031 -10.187 -3.468 28 HE2 LYS 4 HE2 LYS 4 -20.711 -9.237 -6.311 29 HE3 LYS 4 HE1 LYS 4 -21.495 -10.740 -5.836 30 HZ1 LYS 4 HZ1 LYS 4 -23.122 -9.027 -6.211 31 HZ2 LYS 4 HZ2 LYS 4 -22.374 -8.004 -5.098 32 HZ3 LYS 4 HZ3 LYS 4 -23.106 -9.433 -4.570 33 H GLN 5 HN GLN 5 -19.027 -4.948 -3.385 34 HA GLN 5 HA GLN 5 -17.037 -5.348 -5.490 35 HB2 GLN 5 HB2 GLN 5 -19.282 -3.330 -5.258 36 HB3 GLN 5 HB1 GLN 5 -18.195 -3.480 -6.630 37 HG2 GLN 5 HG2 GLN 5 -19.051 -5.704 -7.090 38 HG3 GLN 5 HG1 GLN 5 -20.112 -5.597 -5.684 39 HE21 GLN 5 HE21 GLN 5 -19.504 -4.456 -8.909 40 HE22 GLN 5 HE22 GLN 5 -21.058 -3.741 -9.165 41 H LEU 6 HN LEU 6 -18.181 -2.980 -3.153 42 HA LEU 6 HA LEU 6 -16.027 -1.172 -3.444 43 HB2 LEU 6 HB2 LEU 6 -18.093 -1.674 -1.331 44 HB3 LEU 6 HB1 LEU 6 -16.761 -0.596 -0.998 45 HG LEU 6 HG LEU 6 -18.853 0.561 -1.674 46 HD11 LEU 6 HD11 LEU 6 -17.826 2.149 -3.139 47 HD12 LEU 6 HD12 LEU 6 -16.614 0.978 -3.647 48 HD13 LEU 6 HD13 LEU 6 -16.616 1.580 -1.989 49 HD21 LEU 6 HD21 LEU 6 -18.332 -0.711 -4.356 50 HD22 LEU 6 HD22 LEU 6 -19.533 0.535 -4.017 51 HD23 LEU 6 HD23 LEU 6 -19.687 -1.062 -3.284 52 H GLU 7 HN GLU 7 -16.684 -3.853 -1.216 53 HA GLU 7 HA GLU 7 -14.278 -3.695 0.227 54 HB2 GLU 7 HB2 GLU 7 -16.254 -5.027 0.918 55 HB3 GLU 7 HB1 GLU 7 -15.908 -6.169 -0.373 56 HG2 GLU 7 HG2 GLU 7 -13.789 -6.732 0.662 57 HG3 GLU 7 HG1 GLU 7 -14.081 -5.547 1.934 58 H ASP 8 HN ASP 8 -15.072 -5.221 -2.871 59 HA ASP 8 HA ASP 8 -12.646 -6.620 -3.211 60 HB2 ASP 8 HB2 ASP 8 -14.771 -5.648 -5.011 61 HB3 ASP 8 HB1 ASP 8 -13.193 -5.857 -5.762 62 H LYS 9 HN LYS 9 -13.498 -3.261 -3.783 63 HA LYS 9 HA LYS 9 -11.087 -2.493 -5.057 64 HB2 LYS 9 HB2 LYS 9 -13.005 -0.811 -3.427 65 HB3 LYS 9 HB1 LYS 9 -11.773 -0.192 -4.516 66 HG2 LYS 9 HG2 LYS 9 -14.096 -1.912 -5.356 67 HG3 LYS 9 HG1 LYS 9 -14.044 -0.154 -5.474 68 HD2 LYS 9 HD2 LYS 9 -12.079 -2.008 -6.813 69 HD3 LYS 9 HD1 LYS 9 -13.504 -1.333 -7.601 70 HE2 LYS 9 HE2 LYS 9 -12.658 0.920 -7.220 71 HE3 LYS 9 HE1 LYS 9 -11.244 0.263 -6.399 72 HZ1 LYS 9 HZ1 LYS 9 -11.955 -0.269 -9.232 73 HZ2 LYS 9 HZ2 LYS 9 -10.555 -0.785 -8.432 74 HZ3 LYS 9 HZ3 LYS 9 -10.805 0.864 -8.718 75 H VAL 10 HN VAL 10 -12.165 -2.459 -1.698 76 HA VAL 10 HA VAL 10 -9.951 -1.118 -0.597 77 HB VAL 10 HB VAL 10 -11.502 -3.230 0.881 78 HG11 VAL 10 HG11 VAL 10 -9.622 -2.280 2.063 79 HG12 VAL 10 HG12 VAL 10 -11.130 -1.733 2.795 80 HG13 VAL 10 HG13 VAL 10 -10.217 -0.649 1.742 81 HG21 VAL 10 HG21 VAL 10 -13.230 -1.689 1.405 82 HG22 VAL 10 HG22 VAL 10 -13.062 -1.702 -0.351 83 HG23 VAL 10 HG23 VAL 10 -12.386 -0.375 0.594 84 H GLU 11 HN GLU 11 -10.662 -4.602 -0.855 85 HA GLU 11 HA GLU 11 -8.247 -5.381 0.448 86 HB2 GLU 11 HB2 GLU 11 -10.168 -6.987 -1.251 87 HB3 GLU 11 HB1 GLU 11 -8.849 -7.672 -0.312 88 HG2 GLU 11 HG2 GLU 11 -9.878 -6.744 1.734 89 HG3 GLU 11 HG1 GLU 11 -11.235 -6.186 0.757 90 H GLU 12 HN GLU 12 -9.010 -4.596 -2.836 91 HA GLU 12 HA GLU 12 -6.840 -5.960 -4.062 92 HB2 GLU 12 HB2 GLU 12 -8.766 -5.060 -5.347 93 HB3 GLU 12 HB1 GLU 12 -8.231 -3.427 -4.972 94 HG2 GLU 12 HG2 GLU 12 -6.133 -3.850 -6.168 95 HG3 GLU 12 HG1 GLU 12 -6.701 -5.469 -6.569 96 H LEU 13 HN LEU 13 -7.308 -2.681 -2.824 97 HA LEU 13 HA LEU 13 -4.624 -1.857 -3.225 98 HB2 LEU 13 HB2 LEU 13 -6.716 -0.837 -1.306 99 HB3 LEU 13 HB1 LEU 13 -5.180 -0.051 -1.614 100 HG LEU 13 HG LEU 13 -7.461 -0.407 -3.555 101 HD11 LEU 13 HD11 LEU 13 -7.729 1.382 -1.920 102 HD12 LEU 13 HD12 LEU 13 -7.494 2.022 -3.546 103 HD13 LEU 13 HD13 LEU 13 -6.165 2.047 -2.387 104 HD21 LEU 13 HD21 LEU 13 -4.708 0.731 -4.030 105 HD22 LEU 13 HD22 LEU 13 -6.067 0.851 -5.146 106 HD23 LEU 13 HD23 LEU 13 -5.383 -0.727 -4.758 107 H LEU 14 HN LEU 14 -6.315 -3.579 -0.734 108 HA LEU 14 HA LEU 14 -4.400 -3.501 1.320 109 HB2 LEU 14 HB2 LEU 14 -6.790 -4.372 1.382 110 HB3 LEU 14 HB1 LEU 14 -6.182 -5.830 0.632 111 HG LEU 14 HG LEU 14 -4.629 -6.086 2.607 112 HD11 LEU 14 HD11 LEU 14 -6.444 -3.990 3.784 113 HD12 LEU 14 HD12 LEU 14 -4.739 -3.768 3.389 114 HD13 LEU 14 HD13 LEU 14 -5.212 -4.908 4.649 115 HD21 LEU 14 HD21 LEU 14 -6.650 -7.417 2.349 116 HD22 LEU 14 HD22 LEU 14 -7.601 -6.146 3.116 117 HD23 LEU 14 HD23 LEU 14 -6.377 -7.013 4.044 118 H SER 15 HN SER 15 -4.712 -5.457 -1.549 119 HA SER 15 HA SER 15 -2.774 -7.412 -0.866 120 HB2 SER 15 HB2 SER 15 -4.545 -7.835 -2.521 121 HB3 SER 15 HB1 SER 15 -3.846 -6.616 -3.584 122 HG SER 15 HG SER 15 -2.481 -8.945 -2.688 123 H LYS 16 HN LYS 16 -2.671 -4.515 -2.954 124 HA LYS 16 HA LYS 16 0.112 -4.824 -3.459 125 HB2 LYS 16 HB2 LYS 16 0.076 -2.507 -4.299 126 HB3 LYS 16 HB1 LYS 16 -1.134 -3.534 -5.051 127 HG2 LYS 16 HG2 LYS 16 -2.843 -2.536 -3.589 128 HG3 LYS 16 HG1 LYS 16 -1.612 -1.482 -2.901 129 HD2 LYS 16 HD2 LYS 16 -2.156 -1.553 -5.853 130 HD3 LYS 16 HD1 LYS 16 -3.118 -0.555 -4.766 131 HE2 LYS 16 HE2 LYS 16 -1.452 0.873 -5.589 132 HE3 LYS 16 HE1 LYS 16 -0.917 0.436 -3.970 133 HZ1 LYS 16 HZ1 LYS 16 0.852 0.391 -5.678 134 HZ2 LYS 16 HZ2 LYS 16 0.050 -0.881 -6.448 135 HZ3 LYS 16 HZ3 LYS 16 0.655 -1.087 -4.885 136 H ASN 17 HN ASN 17 -1.755 -3.088 -1.025 137 HA ASN 17 HA ASN 17 0.317 -1.789 0.325 138 HB2 ASN 17 HB2 ASN 17 -2.343 -2.857 1.047 139 HB3 ASN 17 HB1 ASN 17 -1.213 -2.711 2.389 140 HD21 ASN 17 HD21 ASN 17 -3.696 -1.239 1.581 141 HD22 ASN 17 HD22 ASN 17 -3.241 0.427 1.612 142 H TYR 18 HN TYR 18 -0.873 -5.120 0.593 143 HA TYR 18 HA TYR 18 0.956 -6.036 2.507 144 HB2 TYR 18 HB2 TYR 18 -0.958 -7.365 1.892 145 HB3 TYR 18 HB1 TYR 18 -0.413 -7.470 0.224 146 HD1 TYR 18 HD1 TYR 18 0.825 -9.309 -0.470 147 HD2 TYR 18 HD2 TYR 18 0.577 -8.441 3.687 148 HE1 TYR 18 HE1 TYR 18 1.968 -11.425 0.034 149 HE2 TYR 18 HE2 TYR 18 1.722 -10.554 4.201 150 HH TYR 18 HH TYR 18 2.069 -12.769 3.127 151 H HIS 19 HN HIS 19 1.250 -5.714 -0.987 152 HA HIS 19 HA HIS 19 3.762 -7.074 -1.129 153 HB2 HIS 19 HB2 HIS 19 2.265 -5.379 -3.126 154 HB3 HIS 19 HB1 HIS 19 3.816 -6.134 -3.478 155 HD1 HIS 19 HD1 HIS 19 0.536 -6.721 -4.311 156 HD2 HIS 19 HD2 HIS 19 3.405 -9.117 -2.501 157 HE1 HIS 19 HE1 HIS 19 -0.236 -9.086 -4.664 158 HE2 HIS 19 HE2 HIS 19 1.588 -10.520 -3.683 159 H LEU 20 HN LEU 20 2.829 -3.628 -1.363 160 HA LEU 20 HA LEU 20 5.384 -2.534 -1.640 161 HB2 LEU 20 HB2 LEU 20 3.141 -1.348 -0.012 162 HB3 LEU 20 HB1 LEU 20 4.467 -0.467 -0.731 163 HG LEU 20 HG LEU 20 2.124 -1.724 -2.049 164 HD11 LEU 20 HD11 LEU 20 1.768 0.493 -1.213 165 HD12 LEU 20 HD12 LEU 20 1.799 0.516 -2.975 166 HD13 LEU 20 HD13 LEU 20 3.202 1.070 -2.061 167 HD21 LEU 20 HD21 LEU 20 4.604 -0.680 -3.402 168 HD22 LEU 20 HD22 LEU 20 3.104 -1.104 -4.226 169 HD23 LEU 20 HD23 LEU 20 4.037 -2.351 -3.400 170 H GLU 21 HN GLU 21 3.487 -3.089 1.279 171 HA GLU 21 HA GLU 21 5.292 -2.116 3.151 172 HB2 GLU 21 HB2 GLU 21 2.822 -3.220 3.286 173 HB3 GLU 21 HB1 GLU 21 3.784 -4.518 3.977 174 HG2 GLU 21 HG2 GLU 21 3.757 -1.665 4.941 175 HG3 GLU 21 HG1 GLU 21 2.881 -3.005 5.678 176 H ASN 22 HN ASN 22 5.065 -5.414 1.833 177 HA ASN 22 HA ASN 22 7.266 -6.345 3.423 178 HB2 ASN 22 HB2 ASN 22 5.629 -7.537 1.218 179 HB3 ASN 22 HB1 ASN 22 7.141 -8.304 1.692 180 HD21 ASN 22 HD21 ASN 22 3.890 -7.552 2.622 181 HD22 ASN 22 HD22 ASN 22 3.852 -8.549 4.038 182 H GLU 23 HN GLU 23 6.872 -4.986 0.224 183 HA GLU 23 HA GLU 23 9.461 -5.628 -0.745 184 HB2 GLU 23 HB2 GLU 23 7.561 -4.869 -2.166 185 HB3 GLU 23 HB1 GLU 23 7.718 -3.264 -1.472 186 HG2 GLU 23 HG2 GLU 23 9.859 -2.962 -2.466 187 HG3 GLU 23 HG1 GLU 23 9.921 -4.648 -2.976 188 H VAL 24 HN VAL 24 8.147 -2.921 1.095 189 HA VAL 24 HA VAL 24 10.478 -1.364 1.281 190 HB VAL 24 HB VAL 24 8.287 -1.699 3.354 191 HG11 VAL 24 HG11 VAL 24 9.023 0.445 4.230 192 HG12 VAL 24 HG12 VAL 24 10.308 0.513 3.024 193 HG13 VAL 24 HG13 VAL 24 10.343 -0.726 4.279 194 HG21 VAL 24 HG21 VAL 24 7.423 -0.934 1.204 195 HG22 VAL 24 HG22 VAL 24 8.610 0.371 1.186 196 HG23 VAL 24 HG23 VAL 24 7.347 0.346 2.415 197 H ALA 25 HN ALA 25 9.263 -4.034 3.265 198 HA ALA 25 HA ALA 25 11.191 -3.974 5.286 199 HB1 ALA 25 HB1 ALA 25 9.728 -6.377 4.194 200 HB2 ALA 25 HB2 ALA 25 9.115 -5.275 5.425 201 HB3 ALA 25 HB3 ALA 25 10.530 -6.275 5.761 202 H ARG 26 HN ARG 26 11.196 -5.626 2.157 203 HA ARG 26 HA ARG 26 13.632 -7.010 2.483 204 HB2 ARG 26 HB2 ARG 26 12.392 -5.958 -0.068 205 HB3 ARG 26 HB1 ARG 26 13.657 -7.176 0.033 206 HG2 ARG 26 HG2 ARG 26 10.838 -7.441 1.059 207 HG3 ARG 26 HG1 ARG 26 11.511 -8.209 -0.381 208 HD2 ARG 26 HD2 ARG 26 13.060 -9.478 0.988 209 HD3 ARG 26 HD1 ARG 26 12.480 -8.661 2.439 210 HE ARG 26 HE ARG 26 10.371 -9.964 1.026 211 HH11 ARG 26 HH11 ARG 26 13.015 -10.516 3.253 212 HH12 ARG 26 HH12 ARG 26 12.287 -11.919 3.969 213 HH21 ARG 26 HH21 ARG 26 9.409 -11.803 1.964 214 HH22 ARG 26 HH22 ARG 26 10.235 -12.653 3.233 215 H LEU 27 HN LEU 27 12.938 -3.937 0.844 216 HA LEU 27 HA LEU 27 15.594 -3.316 0.199 217 HB2 LEU 27 HB2 LEU 27 13.092 -1.716 0.477 218 HB3 LEU 27 HB1 LEU 27 14.618 -0.899 0.332 219 HG LEU 27 HG LEU 27 14.997 -1.692 -1.852 220 HD11 LEU 27 HD11 LEU 27 13.568 -3.330 -2.967 221 HD12 LEU 27 HD12 LEU 27 12.618 -3.518 -1.493 222 HD13 LEU 27 HD13 LEU 27 14.307 -4.024 -1.524 223 HD21 LEU 27 HD21 LEU 27 12.967 -0.983 -3.049 224 HD22 LEU 27 HD22 LEU 27 13.423 0.120 -1.750 225 HD23 LEU 27 HD23 LEU 27 12.087 -1.009 -1.521 226 H LYS 28 HN LYS 28 13.691 -2.632 3.074 227 HA LYS 28 HA LYS 28 15.422 -0.750 4.240 228 HB2 LYS 28 HB2 LYS 28 13.032 -1.280 4.897 229 HB3 LYS 28 HB1 LYS 28 13.657 -2.695 5.729 230 HG2 LYS 28 HG2 LYS 28 13.454 -1.154 7.429 231 HG3 LYS 28 HG1 LYS 28 15.154 -1.009 6.988 232 HD2 LYS 28 HD2 LYS 28 13.085 0.781 5.758 233 HD3 LYS 28 HD1 LYS 28 13.758 1.143 7.345 234 HE2 LYS 28 HE2 LYS 28 16.040 0.988 6.241 235 HE3 LYS 28 HE1 LYS 28 15.182 0.983 4.703 236 HZ1 LYS 28 HZ1 LYS 28 15.893 3.204 5.314 237 HZ2 LYS 28 HZ2 LYS 28 15.011 3.114 6.750 238 HZ3 LYS 28 HZ3 LYS 28 14.204 3.111 5.269 239 H LYS 29 HN LYS 29 15.450 -4.227 4.148 240 HA LYS 29 HA LYS 29 17.577 -4.475 6.096 241 HB2 LYS 29 HB2 LYS 29 15.747 -6.179 5.670 242 HB3 LYS 29 HB1 LYS 29 16.611 -6.582 4.193 243 HG2 LYS 29 HG2 LYS 29 18.622 -7.057 5.583 244 HG3 LYS 29 HG1 LYS 29 17.607 -6.841 7.017 245 HD2 LYS 29 HD2 LYS 29 17.115 -8.807 4.807 246 HD3 LYS 29 HD1 LYS 29 17.837 -9.208 6.371 247 HE2 LYS 29 HE2 LYS 29 15.056 -8.130 5.890 248 HE3 LYS 29 HE1 LYS 29 15.468 -9.783 6.334 249 HZ1 LYS 29 HZ1 LYS 29 15.960 -7.378 8.004 250 HZ2 LYS 29 HZ2 LYS 29 16.337 -8.968 8.431 251 HZ3 LYS 29 HZ3 LYS 29 14.724 -8.505 8.240 252 H LEU 30 HN LEU 30 17.194 -4.112 2.705 253 HA LEU 30 HA LEU 30 19.749 -5.171 1.963 254 HB2 LEU 30 HB2 LEU 30 17.741 -3.596 0.385 255 HB3 LEU 30 HB1 LEU 30 19.186 -4.334 -0.278 256 HG LEU 30 HG LEU 30 16.972 -5.885 1.059 257 HD11 LEU 30 HD11 LEU 30 17.543 -5.553 -1.872 258 HD12 LEU 30 HD12 LEU 30 16.223 -4.778 -0.999 259 HD13 LEU 30 HD13 LEU 30 16.269 -6.533 -1.144 260 HD21 LEU 30 HD21 LEU 30 19.445 -6.685 -0.456 261 HD22 LEU 30 HD22 LEU 30 18.087 -7.774 -0.194 262 HD23 LEU 30 HD23 LEU 30 18.976 -7.137 1.185 263 H VAL 31 HN VAL 31 18.369 -1.925 2.350 264 HA VAL 31 HA VAL 31 20.915 -0.698 1.759 265 HB VAL 31 HB VAL 31 18.754 0.479 1.294 266 HG11 VAL 31 HG11 VAL 31 17.501 -0.125 3.267 267 HG12 VAL 31 HG12 VAL 31 17.615 1.630 3.115 268 HG13 VAL 31 HG13 VAL 31 18.627 0.778 4.284 269 HG21 VAL 31 HG21 VAL 31 20.750 1.837 3.090 270 HG22 VAL 31 HG22 VAL 31 19.507 2.686 2.177 271 HG23 VAL 31 HG23 VAL 31 20.753 1.775 1.327 272 H GLY 32 HN GLY 32 19.561 -2.270 4.348 273 HA2 GLY 32 HA2 GLY 32 20.475 -2.820 6.373 274 HA3 GLY 32 HA1 GLY 32 21.852 -1.795 5.987 275 H GLU 33 HN GLU 33 18.379 -1.257 6.495 276 HA GLU 33 HA GLU 33 17.209 0.131 7.840 277 HB2 GLU 33 HB2 GLU 33 19.727 0.196 9.514 278 HB3 GLU 33 HB1 GLU 33 18.142 0.758 10.026 279 HG2 GLU 33 HG2 GLU 33 18.864 -2.076 9.311 280 HG3 GLU 33 HG1 GLU 33 18.649 -1.438 10.940 281 H1 GLY 1 HT1 GLY 1 -26.599 4.884 4.650 282 H2 GLY 1 HT2 GLY 1 -27.146 3.930 3.366 283 H3 GLY 1 HT3 GLY 1 -27.516 5.578 3.412 284 HA2 GLY 1 HA1 GLY 1 -25.759 5.157 1.820 285 HA3 GLY 1 HA2 GLY 1 -25.200 6.158 3.152 286 H SER 2 HN SER 2 -23.521 4.640 1.474 287 HA SER 2 HA SER 2 -22.115 3.093 3.453 288 HB2 SER 2 HB2 SER 2 -21.986 1.098 1.803 289 HB3 SER 2 HB1 SER 2 -23.445 1.276 2.782 290 HG SER 2 HG SER 2 -24.570 1.765 1.049 291 H MET 3 HN MET 3 -22.384 4.325 0.191 292 HA MET 3 HA MET 3 -20.004 3.544 -0.921 293 HB2 MET 3 HB2 MET 3 -21.645 6.027 -1.329 294 HB3 MET 3 HB1 MET 3 -20.178 5.728 -2.254 295 HG2 MET 3 HG2 MET 3 -22.565 3.901 -2.147 296 HG3 MET 3 HG1 MET 3 -22.201 5.034 -3.447 297 HE1 MET 3 HE1 MET 3 -22.417 2.985 -5.164 298 HE2 MET 3 HE2 MET 3 -22.714 1.867 -3.833 299 HE3 MET 3 HE3 MET 3 -21.473 1.501 -5.030 300 H LYS 4 HN LYS 4 -20.518 6.537 0.982 301 HA LYS 4 HA LYS 4 -17.809 7.360 0.568 302 HB2 LYS 4 HB2 LYS 4 -18.289 9.207 2.026 303 HB3 LYS 4 HB1 LYS 4 -19.645 8.972 0.937 304 HG2 LYS 4 HG2 LYS 4 -20.907 7.888 2.713 305 HG3 LYS 4 HG1 LYS 4 -19.533 8.061 3.807 306 HD2 LYS 4 HD2 LYS 4 -19.669 10.510 3.546 307 HD3 LYS 4 HD1 LYS 4 -21.085 10.305 2.518 308 HE2 LYS 4 HE2 LYS 4 -20.881 9.396 5.382 309 HE3 LYS 4 HE1 LYS 4 -21.644 10.892 4.854 310 HZ1 LYS 4 HZ1 LYS 4 -23.285 9.185 5.193 311 HZ2 LYS 4 HZ2 LYS 4 -22.494 8.145 4.125 312 HZ3 LYS 4 HZ3 LYS 4 -23.205 9.566 3.547 313 H GLN 5 HN GLN 5 -19.110 5.054 2.564 314 HA GLN 5 HA GLN 5 -17.204 5.453 4.745 315 HB2 GLN 5 HB2 GLN 5 -19.452 3.448 4.435 316 HB3 GLN 5 HB1 GLN 5 -18.421 3.602 5.849 317 HG2 GLN 5 HG2 GLN 5 -19.277 5.835 6.252 318 HG3 GLN 5 HG1 GLN 5 -20.283 5.722 4.808 319 HE21 GLN 5 HE21 GLN 5 -19.794 4.594 8.059 320 HE22 GLN 5 HE22 GLN 5 -21.364 3.895 8.266 321 H LEU 6 HN LEU 6 -18.267 3.078 2.376 322 HA LEU 6 HA LEU 6 -16.141 1.256 2.772 323 HB2 LEU 6 HB2 LEU 6 -18.113 1.755 0.569 324 HB3 LEU 6 HB1 LEU 6 -16.775 0.666 0.300 325 HG LEU 6 HG LEU 6 -18.904 -0.474 0.897 326 HD11 LEU 6 HD11 LEU 6 -17.945 -2.057 2.417 327 HD12 LEU 6 HD12 LEU 6 -16.747 -0.889 2.963 328 HD13 LEU 6 HD13 LEU 6 -16.686 -1.506 1.311 329 HD21 LEU 6 HD21 LEU 6 -18.481 0.814 3.591 330 HD22 LEU 6 HD22 LEU 6 -19.675 -0.428 3.215 331 HD23 LEU 6 HD23 LEU 6 -19.791 1.164 2.465 332 H GLU 7 HN GLU 7 -16.687 3.920 0.497 333 HA GLU 7 HA GLU 7 -14.225 3.739 -0.843 334 HB2 GLU 7 HB2 GLU 7 -16.165 5.078 -1.623 335 HB3 GLU 7 HB1 GLU 7 -15.865 6.226 -0.328 336 HG2 GLU 7 HG2 GLU 7 -13.700 6.767 -1.281 337 HG3 GLU 7 HG1 GLU 7 -13.952 5.577 -2.558 338 H ASP 8 HN ASP 8 -15.137 5.295 2.208 339 HA ASP 8 HA ASP 8 -12.716 6.678 2.641 340 HB2 ASP 8 HB2 ASP 8 -14.926 5.739 4.358 341 HB3 ASP 8 HB1 ASP 8 -13.378 5.932 5.174 342 H LYS 9 HN LYS 9 -13.613 3.328 3.193 343 HA LYS 9 HA LYS 9 -11.263 2.559 4.570 344 HB2 LYS 9 HB2 LYS 9 -13.125 0.877 2.880 345 HB3 LYS 9 HB1 LYS 9 -11.941 0.258 4.020 346 HG2 LYS 9 HG2 LYS 9 -14.283 2.000 4.758 347 HG3 LYS 9 HG1 LYS 9 -14.251 0.241 4.888 348 HD2 LYS 9 HD2 LYS 9 -12.323 2.089 6.291 349 HD3 LYS 9 HD1 LYS 9 -13.786 1.433 7.027 350 HE2 LYS 9 HE2 LYS 9 -12.945 -0.834 6.696 351 HE3 LYS 9 HE1 LYS 9 -11.495 -0.192 5.925 352 HZ1 LYS 9 HZ1 LYS 9 -12.305 0.356 8.726 353 HZ2 LYS 9 HZ2 LYS 9 -10.878 0.863 7.978 354 HZ3 LYS 9 HZ3 LYS 9 -11.143 -0.780 8.261 355 H VAL 10 HN VAL 10 -12.204 2.501 1.168 356 HA VAL 10 HA VAL 10 -9.953 1.140 0.171 357 HB VAL 10 HB VAL 10 -11.431 3.253 -1.381 358 HG11 VAL 10 HG11 VAL 10 -9.509 2.283 -2.479 359 HG12 VAL 10 HG12 VAL 10 -10.990 1.741 -3.268 360 HG13 VAL 10 HG13 VAL 10 -10.129 0.659 -2.172 361 HG21 VAL 10 HG21 VAL 10 -13.145 1.718 -1.963 362 HG22 VAL 10 HG22 VAL 10 -13.048 1.745 -0.202 363 HG23 VAL 10 HG23 VAL 10 -12.342 0.405 -1.107 364 H GLU 11 HN GLU 11 -10.650 4.633 0.370 365 HA GLU 11 HA GLU 11 -8.176 5.387 -0.830 366 HB2 GLU 11 HB2 GLU 11 -10.156 7.012 0.773 367 HB3 GLU 11 HB1 GLU 11 -8.796 7.686 -0.113 368 HG2 GLU 11 HG2 GLU 11 -9.748 6.755 -2.197 369 HG3 GLU 11 HG1 GLU 11 -11.148 6.211 -1.271 370 H GLU 12 HN GLU 12 -9.075 4.625 2.423 371 HA GLU 12 HA GLU 12 -6.950 5.987 3.728 372 HB2 GLU 12 HB2 GLU 12 -8.935 5.115 4.936 373 HB3 GLU 12 HB1 GLU 12 -8.401 3.476 4.594 374 HG2 GLU 12 HG2 GLU 12 -6.352 3.889 5.878 375 HG3 GLU 12 HG1 GLU 12 -6.928 5.512 6.247 376 H LEU 13 HN LEU 13 -7.395 2.704 2.492 377 HA LEU 13 HA LEU 13 -4.735 1.866 3.014 378 HB2 LEU 13 HB2 LEU 13 -6.751 0.841 1.016 379 HB3 LEU 13 HB1 LEU 13 -5.233 0.050 1.396 380 HG LEU 13 HG LEU 13 -7.589 0.436 3.238 381 HD11 LEU 13 HD11 LEU 13 -7.805 -1.365 1.606 382 HD12 LEU 13 HD12 LEU 13 -7.638 -1.995 3.245 383 HD13 LEU 13 HD13 LEU 13 -6.266 -2.035 2.140 384 HD21 LEU 13 HD21 LEU 13 -4.866 -0.716 3.831 385 HD22 LEU 13 HD22 LEU 13 -6.268 -0.817 4.896 386 HD23 LEU 13 HD23 LEU 13 -5.559 0.752 4.521 387 H LEU 14 HN LEU 14 -6.304 3.585 0.447 388 HA LEU 14 HA LEU 14 -4.313 3.475 -1.531 389 HB2 LEU 14 HB2 LEU 14 -6.693 4.361 -1.697 390 HB3 LEU 14 HB1 LEU 14 -6.105 5.822 -0.936 391 HG LEU 14 HG LEU 14 -4.473 6.050 -2.851 392 HD11 LEU 14 HD11 LEU 14 -6.257 3.957 -4.080 393 HD12 LEU 14 HD12 LEU 14 -4.571 3.726 -3.615 394 HD13 LEU 14 HD13 LEU 14 -4.984 4.857 -4.902 395 HD21 LEU 14 HD21 LEU 14 -6.494 7.398 -2.682 396 HD22 LEU 14 HD22 LEU 14 -7.422 6.125 -3.477 397 HD23 LEU 14 HD23 LEU 14 -6.158 6.977 -4.361 398 H SER 15 HN SER 15 -4.728 5.458 1.304 399 HA SER 15 HA SER 15 -2.751 7.395 0.692 400 HB2 SER 15 HB2 SER 15 -4.590 7.840 2.267 401 HB3 SER 15 HB1 SER 15 -3.944 6.624 3.367 402 HG SER 15 HG SER 15 -2.520 8.933 2.517 403 H LYS 16 HN LYS 16 -2.756 4.517 2.811 404 HA LYS 16 HA LYS 16 0.009 4.804 3.415 405 HB2 LYS 16 HB2 LYS 16 -0.075 2.494 4.269 406 HB3 LYS 16 HB1 LYS 16 -1.308 3.531 4.963 407 HG2 LYS 16 HG2 LYS 16 -2.965 2.536 3.438 408 HG3 LYS 16 HG1 LYS 16 -1.715 1.468 2.809 409 HD2 LYS 16 HD2 LYS 16 -2.381 1.565 5.735 410 HD3 LYS 16 HD1 LYS 16 -3.302 0.564 4.617 411 HE2 LYS 16 HE2 LYS 16 -1.679 -0.867 5.522 412 HE3 LYS 16 HE1 LYS 16 -1.075 -0.447 3.922 413 HZ1 LYS 16 HZ1 LYS 16 0.616 -0.397 5.710 414 HZ2 LYS 16 HZ2 LYS 16 -0.211 0.892 6.426 415 HZ3 LYS 16 HZ3 LYS 16 0.465 1.071 4.888 416 H ASN 17 HN ASN 17 -1.770 3.067 0.920 417 HA ASN 17 HA ASN 17 0.346 1.742 -0.333 418 HB2 ASN 17 HB2 ASN 17 -2.275 2.824 -1.174 419 HB3 ASN 17 HB1 ASN 17 -1.093 2.656 -2.467 420 HD21 ASN 17 HD21 ASN 17 -3.617 1.211 -1.747 421 HD22 ASN 17 HD22 ASN 17 -3.173 -0.459 -1.741 422 H TYR 18 HN TYR 18 -0.808 5.080 -0.675 423 HA TYR 18 HA TYR 18 1.107 5.968 -2.519 424 HB2 TYR 18 HB2 TYR 18 -0.822 7.312 -1.994 425 HB3 TYR 18 HB1 TYR 18 -0.346 7.428 -0.306 426 HD1 TYR 18 HD1 TYR 18 0.875 9.261 0.425 427 HD2 TYR 18 HD2 TYR 18 0.787 8.369 -3.733 428 HE1 TYR 18 HE1 TYR 18 2.046 11.370 -0.045 429 HE2 TYR 18 HE2 TYR 18 1.962 10.476 -4.214 430 HH TYR 18 HH TYR 18 2.311 12.668 -3.175 431 H HIS 19 HN HIS 19 1.254 5.670 0.986 432 HA HIS 19 HA HIS 19 3.768 7.014 1.215 433 HB2 HIS 19 HB2 HIS 19 2.181 5.348 3.163 434 HB3 HIS 19 HB1 HIS 19 3.724 6.094 3.570 435 HD1 HIS 19 HD1 HIS 19 0.411 6.709 4.253 436 HD2 HIS 19 HD2 HIS 19 3.384 9.078 2.574 437 HE1 HIS 19 HE1 HIS 19 -0.346 9.082 4.577 438 HE2 HIS 19 HE2 HIS 19 1.487 10.501 3.607 439 H LEU 20 HN LEU 20 2.803 3.577 1.442 440 HA LEU 20 HA LEU 20 5.336 2.469 1.829 441 HB2 LEU 20 HB2 LEU 20 3.151 1.280 0.122 442 HB3 LEU 20 HB1 LEU 20 4.443 0.398 0.900 443 HG LEU 20 HG LEU 20 2.057 1.677 2.116 444 HD11 LEU 20 HD11 LEU 20 1.722 -0.542 1.277 445 HD12 LEU 20 HD12 LEU 20 1.682 -0.556 3.039 446 HD13 LEU 20 HD13 LEU 20 3.117 -1.123 2.186 447 HD21 LEU 20 HD21 LEU 20 4.476 0.627 3.573 448 HD22 LEU 20 HD22 LEU 20 2.946 1.064 4.335 449 HD23 LEU 20 HD23 LEU 20 3.920 2.302 3.540 450 H GLU 21 HN GLU 21 3.564 3.009 -1.168 451 HA GLU 21 HA GLU 21 5.437 2.015 -2.960 452 HB2 GLU 21 HB2 GLU 21 2.980 3.134 -3.201 453 HB3 GLU 21 HB1 GLU 21 3.978 4.421 -3.861 454 HG2 GLU 21 HG2 GLU 21 3.968 1.562 -4.804 455 HG3 GLU 21 HG1 GLU 21 3.135 2.903 -5.586 456 H ASN 22 HN ASN 22 5.176 5.325 -1.675 457 HA ASN 22 HA ASN 22 7.444 6.230 -3.181 458 HB2 ASN 22 HB2 ASN 22 5.729 7.447 -1.053 459 HB3 ASN 22 HB1 ASN 22 7.265 8.201 -1.470 460 HD21 ASN 22 HD21 ASN 22 4.048 7.468 -2.524 461 HD22 ASN 22 HD22 ASN 22 4.077 8.450 -3.951 462 H GLU 23 HN GLU 23 6.916 4.903 0.011 463 HA GLU 23 HA GLU 23 9.467 5.534 1.078 464 HB2 GLU 23 HB2 GLU 23 7.505 4.800 2.425 465 HB3 GLU 23 HB1 GLU 23 7.677 3.189 1.748 466 HG2 GLU 23 HG2 GLU 23 9.774 2.877 2.830 467 HG3 GLU 23 HG1 GLU 23 9.823 4.565 3.337 468 H VAL 24 HN VAL 24 8.212 2.818 -0.791 469 HA VAL 24 HA VAL 24 10.536 1.244 -0.869 470 HB VAL 24 HB VAL 24 8.435 1.579 -3.034 471 HG11 VAL 24 HG11 VAL 24 9.190 -0.577 -3.862 472 HG12 VAL 24 HG12 VAL 24 10.424 -0.645 -2.604 473 HG13 VAL 24 HG13 VAL 24 10.519 0.585 -3.866 474 HG21 VAL 24 HG21 VAL 24 7.476 0.834 -0.915 475 HG22 VAL 24 HG22 VAL 24 8.653 -0.479 -0.841 476 HG23 VAL 24 HG23 VAL 24 7.440 -0.453 -2.121 477 H ALA 25 HN ALA 25 9.420 3.904 -2.925 478 HA ALA 25 HA ALA 25 11.428 3.814 -4.867 479 HB1 ALA 25 HB1 ALA 25 9.936 6.239 -3.855 480 HB2 ALA 25 HB2 ALA 25 9.368 5.131 -5.104 481 HB3 ALA 25 HB3 ALA 25 10.803 6.118 -5.387 482 H ARG 26 HN ARG 26 11.319 5.486 -1.751 483 HA ARG 26 HA ARG 26 13.773 6.857 -1.989 484 HB2 ARG 26 HB2 ARG 26 12.427 5.835 0.519 485 HB3 ARG 26 HB1 ARG 26 13.703 7.043 0.458 486 HG2 ARG 26 HG2 ARG 26 10.930 7.324 -0.682 487 HG3 ARG 26 HG1 ARG 26 11.549 8.094 0.779 488 HD2 ARG 26 HD2 ARG 26 13.161 9.347 -0.533 489 HD3 ARG 26 HD1 ARG 26 12.634 8.524 -2.002 490 HE ARG 26 HE ARG 26 10.484 9.857 -0.679 491 HH11 ARG 26 HH11 ARG 26 13.215 10.373 -2.815 492 HH12 ARG 26 HH12 ARG 26 12.514 11.768 -3.570 493 HH21 ARG 26 HH21 ARG 26 9.572 11.686 -1.677 494 HH22 ARG 26 HH22 ARG 26 10.444 12.510 -2.929 495 H LEU 27 HN LEU 27 12.998 3.803 -0.346 496 HA LEU 27 HA LEU 27 15.620 3.168 0.405 497 HB2 LEU 27 HB2 LEU 27 13.119 1.587 0.035 498 HB3 LEU 27 HB1 LEU 27 14.631 0.757 0.249 499 HG LEU 27 HG LEU 27 14.925 1.562 2.441 500 HD11 LEU 27 HD11 LEU 27 13.472 3.220 3.484 501 HD12 LEU 27 HD12 LEU 27 12.577 3.404 1.977 502 HD13 LEU 27 HD13 LEU 27 14.267 3.897 2.063 503 HD21 LEU 27 HD21 LEU 27 12.841 0.877 3.558 504 HD22 LEU 27 HD22 LEU 27 13.342 -0.239 2.287 505 HD23 LEU 27 HD23 LEU 27 12.025 0.898 1.995 506 H LYS 28 HN LYS 28 13.825 2.473 -2.540 507 HA LYS 28 HA LYS 28 15.594 0.579 -3.624 508 HB2 LYS 28 HB2 LYS 28 13.234 1.113 -4.379 509 HB3 LYS 28 HB1 LYS 28 13.900 2.516 -5.197 510 HG2 LYS 28 HG2 LYS 28 13.761 0.967 -6.890 511 HG3 LYS 28 HG1 LYS 28 15.438 0.811 -6.378 512 HD2 LYS 28 HD2 LYS 28 13.305 -0.961 -5.228 513 HD3 LYS 28 HD1 LYS 28 14.046 -1.333 -6.783 514 HE2 LYS 28 HE2 LYS 28 16.278 -1.188 -5.587 515 HE3 LYS 28 HE1 LYS 28 15.360 -1.160 -4.083 516 HZ1 LYS 28 HZ1 LYS 28 16.087 -3.392 -4.652 517 HZ2 LYS 28 HZ2 LYS 28 15.254 -3.317 -6.115 518 HZ3 LYS 28 HZ3 LYS 28 14.401 -3.294 -4.659 519 H LYS 29 HN LYS 29 15.639 4.051 -3.557 520 HA LYS 29 HA LYS 29 17.843 4.270 -5.420 521 HB2 LYS 29 HB2 LYS 29 16.009 5.990 -5.083 522 HB3 LYS 29 HB1 LYS 29 16.813 6.398 -3.573 523 HG2 LYS 29 HG2 LYS 29 18.884 6.851 -4.878 524 HG3 LYS 29 HG1 LYS 29 17.931 6.629 -6.353 525 HD2 LYS 29 HD2 LYS 29 17.355 8.614 -4.182 526 HD3 LYS 29 HD1 LYS 29 18.148 8.999 -5.714 527 HE2 LYS 29 HE2 LYS 29 15.343 7.936 -5.356 528 HE3 LYS 29 HE1 LYS 29 15.781 9.590 -5.774 529 HZ1 LYS 29 HZ1 LYS 29 16.341 7.192 -7.435 530 HZ2 LYS 29 HZ2 LYS 29 16.742 8.784 -7.834 531 HZ3 LYS 29 HZ3 LYS 29 15.119 8.325 -7.720 532 H LEU 30 HN LEU 30 17.321 3.931 -2.044 533 HA LEU 30 HA LEU 30 19.847 4.986 -1.207 534 HB2 LEU 30 HB2 LEU 30 17.768 3.437 0.301 535 HB3 LEU 30 HB1 LEU 30 19.193 4.165 1.018 536 HG LEU 30 HG LEU 30 17.049 5.728 -0.419 537 HD11 LEU 30 HD11 LEU 30 17.496 5.413 2.536 538 HD12 LEU 30 HD12 LEU 30 16.205 4.644 1.614 539 HD13 LEU 30 HD13 LEU 30 16.263 6.400 1.750 540 HD21 LEU 30 HD21 LEU 30 19.464 6.517 1.190 541 HD22 LEU 30 HD22 LEU 30 18.126 7.616 0.872 542 HD23 LEU 30 HD23 LEU 30 19.064 6.965 -0.469 543 H VAL 31 HN VAL 31 18.469 1.747 -1.626 544 HA VAL 31 HA VAL 31 20.981 0.508 -0.918 545 HB VAL 31 HB VAL 31 18.793 -0.652 -0.539 546 HG11 VAL 31 HG11 VAL 31 17.627 -0.052 -2.567 547 HG12 VAL 31 HG12 VAL 31 17.722 -1.807 -2.400 548 HG13 VAL 31 HG13 VAL 31 18.787 -0.968 -3.530 549 HG21 VAL 31 HG21 VAL 31 20.851 -2.035 -2.245 550 HG22 VAL 31 HG22 VAL 31 19.567 -2.869 -1.377 551 HG23 VAL 31 HG23 VAL 31 20.785 -1.961 -0.483 552 H GLY 32 HN GLY 32 19.734 2.063 -3.581 553 HA2 GLY 32 HA2 GLY 32 20.746 2.597 -5.566 554 HA3 GLY 32 HA1 GLY 32 22.093 1.563 -5.113 555 H GLU 33 HN GLU 33 18.645 1.041 -5.756 556 HA GLU 33 HA GLU 33 17.520 -0.347 -7.135 557 HB2 GLU 33 HB2 GLU 33 20.098 -0.439 -8.714 558 HB3 GLU 33 HB1 GLU 33 18.530 -0.994 -9.282 559 HG2 GLU 33 HG2 GLU 33 19.245 1.839 -8.556 560 HG3 GLU 33 HG1 GLU 33 19.090 1.195 -10.188 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 -26.651 -3.976 -4.992 2 H2 GLY 1 HT2 GLY 1 -27.305 -5.211 -4.045 3 H3 GLY 1 HT3 GLY 1 -25.939 -5.509 -4.996 4 HA2 GLY 1 HA1 GLY 1 -26.076 -3.690 -2.661 5 HA3 GLY 1 HA2 GLY 1 -25.309 -5.271 -2.689 6 H SER 2 HN SER 2 -23.788 -3.225 -1.907 7 HA SER 2 HA SER 2 -22.000 -2.808 -4.203 8 HB2 SER 2 HB2 SER 2 -21.430 -0.577 -3.007 9 HB3 SER 2 HB1 SER 2 -22.928 -0.668 -3.939 10 HG SER 2 HG SER 2 -22.715 -1.061 -1.129 11 H MET 3 HN MET 3 -22.378 -4.040 -1.121 12 HA MET 3 HA MET 3 -20.135 -3.124 0.262 13 HB2 MET 3 HB2 MET 3 -21.627 -5.730 0.539 14 HB3 MET 3 HB1 MET 3 -20.418 -5.161 1.678 15 HG2 MET 3 HG2 MET 3 -23.009 -3.784 1.015 16 HG3 MET 3 HG1 MET 3 -22.677 -4.724 2.466 17 HE1 MET 3 HE1 MET 3 -20.007 -2.523 4.287 18 HE2 MET 3 HE2 MET 3 -19.679 -3.837 3.159 19 HE3 MET 3 HE3 MET 3 -20.974 -3.996 4.346 20 H LYS 4 HN LYS 4 -20.496 -6.200 -1.530 21 HA LYS 4 HA LYS 4 -17.827 -6.974 -0.913 22 HB2 LYS 4 HB2 LYS 4 -18.209 -8.841 -2.509 23 HB3 LYS 4 HB1 LYS 4 -19.427 -8.708 -1.252 24 HG2 LYS 4 HG2 LYS 4 -21.014 -7.800 -2.780 25 HG3 LYS 4 HG1 LYS 4 -19.787 -7.627 -4.035 26 HD2 LYS 4 HD2 LYS 4 -21.218 -9.571 -4.441 27 HD3 LYS 4 HD1 LYS 4 -19.548 -10.050 -4.153 28 HE2 LYS 4 HE2 LYS 4 -21.076 -11.538 -2.990 29 HE3 LYS 4 HE1 LYS 4 -20.114 -10.618 -1.838 30 HZ1 LYS 4 HZ1 LYS 4 -21.982 -9.157 -1.473 31 HZ2 LYS 4 HZ2 LYS 4 -22.447 -10.756 -1.196 32 HZ3 LYS 4 HZ3 LYS 4 -22.906 -9.979 -2.624 33 H GLN 5 HN GLN 5 -19.087 -4.981 -3.392 34 HA GLN 5 HA GLN 5 -16.890 -5.492 -5.219 35 HB2 GLN 5 HB2 GLN 5 -19.055 -3.395 -5.451 36 HB3 GLN 5 HB1 GLN 5 -17.931 -3.885 -6.708 37 HG2 GLN 5 HG2 GLN 5 -19.604 -5.176 -7.406 38 HG3 GLN 5 HG1 GLN 5 -19.111 -6.249 -6.094 39 HE21 GLN 5 HE21 GLN 5 -21.402 -3.869 -7.142 40 HE22 GLN 5 HE22 GLN 5 -22.583 -4.163 -5.909 41 H LEU 6 HN LEU 6 -18.120 -2.972 -3.097 42 HA LEU 6 HA LEU 6 -15.982 -1.170 -3.467 43 HB2 LEU 6 HB2 LEU 6 -18.062 -1.618 -1.383 44 HB3 LEU 6 HB1 LEU 6 -16.682 -0.640 -0.954 45 HG LEU 6 HG LEU 6 -18.707 0.644 -1.689 46 HD11 LEU 6 HD11 LEU 6 -16.429 1.595 -1.748 47 HD12 LEU 6 HD12 LEU 6 -17.481 2.254 -2.999 48 HD13 LEU 6 HD13 LEU 6 -16.266 1.050 -3.417 49 HD21 LEU 6 HD21 LEU 6 -19.429 -0.873 -3.474 50 HD22 LEU 6 HD22 LEU 6 -17.993 -0.454 -4.408 51 HD23 LEU 6 HD23 LEU 6 -19.210 0.775 -4.062 52 H GLU 7 HN GLU 7 -16.577 -3.745 -1.086 53 HA GLU 7 HA GLU 7 -14.110 -3.627 0.222 54 HB2 GLU 7 HB2 GLU 7 -15.941 -5.968 -0.280 55 HB3 GLU 7 HB1 GLU 7 -14.511 -6.063 0.738 56 HG2 GLU 7 HG2 GLU 7 -15.449 -4.317 2.185 57 HG3 GLU 7 HG1 GLU 7 -16.897 -4.286 1.181 58 H ASP 8 HN ASP 8 -15.047 -5.186 -2.820 59 HA ASP 8 HA ASP 8 -12.697 -6.640 -3.281 60 HB2 ASP 8 HB2 ASP 8 -14.697 -5.357 -5.087 61 HB3 ASP 8 HB1 ASP 8 -13.180 -5.907 -5.788 62 H LYS 9 HN LYS 9 -13.360 -3.217 -3.760 63 HA LYS 9 HA LYS 9 -10.850 -2.645 -5.004 64 HB2 LYS 9 HB2 LYS 9 -12.813 -0.783 -3.655 65 HB3 LYS 9 HB1 LYS 9 -11.479 -0.288 -4.685 66 HG2 LYS 9 HG2 LYS 9 -13.807 -1.980 -5.570 67 HG3 LYS 9 HG1 LYS 9 -13.652 -0.243 -5.830 68 HD2 LYS 9 HD2 LYS 9 -11.674 -2.282 -6.840 69 HD3 LYS 9 HD1 LYS 9 -13.015 -1.656 -7.796 70 HE2 LYS 9 HE2 LYS 9 -10.813 0.012 -6.583 71 HE3 LYS 9 HE1 LYS 9 -10.881 -0.507 -8.265 72 HZ1 LYS 9 HZ1 LYS 9 -12.871 1.231 -6.908 73 HZ2 LYS 9 HZ2 LYS 9 -12.939 0.735 -8.522 74 HZ3 LYS 9 HZ3 LYS 9 -11.692 1.748 -8.004 75 H VAL 10 HN VAL 10 -12.149 -2.357 -1.732 76 HA VAL 10 HA VAL 10 -10.039 -0.995 -0.524 77 HB VAL 10 HB VAL 10 -11.578 -3.191 0.853 78 HG11 VAL 10 HG11 VAL 10 -10.374 -0.616 1.844 79 HG12 VAL 10 HG12 VAL 10 -9.741 -2.242 2.118 80 HG13 VAL 10 HG13 VAL 10 -11.284 -1.765 2.827 81 HG21 VAL 10 HG21 VAL 10 -13.338 -1.674 1.374 82 HG22 VAL 10 HG22 VAL 10 -13.122 -1.654 -0.377 83 HG23 VAL 10 HG23 VAL 10 -12.485 -0.338 0.609 84 H GLU 11 HN GLU 11 -10.607 -4.517 -0.571 85 HA GLU 11 HA GLU 11 -8.104 -5.094 0.664 86 HB2 GLU 11 HB2 GLU 11 -8.648 -7.436 0.243 87 HB3 GLU 11 HB1 GLU 11 -10.047 -6.583 0.879 88 HG2 GLU 11 HG2 GLU 11 -10.981 -6.426 -1.366 89 HG3 GLU 11 HG1 GLU 11 -9.574 -7.269 -2.012 90 H GLU 12 HN GLU 12 -8.983 -4.425 -2.579 91 HA GLU 12 HA GLU 12 -6.917 -5.868 -3.900 92 HB2 GLU 12 HB2 GLU 12 -9.061 -4.440 -4.771 93 HB3 GLU 12 HB1 GLU 12 -7.776 -3.276 -5.053 94 HG2 GLU 12 HG2 GLU 12 -7.949 -6.067 -6.168 95 HG3 GLU 12 HG1 GLU 12 -8.193 -4.563 -7.050 96 H LEU 13 HN LEU 13 -7.244 -2.578 -2.661 97 HA LEU 13 HA LEU 13 -4.531 -1.853 -3.168 98 HB2 LEU 13 HB2 LEU 13 -6.498 -0.669 -1.210 99 HB3 LEU 13 HB1 LEU 13 -5.016 0.084 -1.766 100 HG LEU 13 HG LEU 13 -7.418 -0.548 -3.481 101 HD11 LEU 13 HD11 LEU 13 -6.334 2.066 -2.459 102 HD12 LEU 13 HD12 LEU 13 -7.828 1.280 -1.946 103 HD13 LEU 13 HD13 LEU 13 -7.669 1.879 -3.597 104 HD21 LEU 13 HD21 LEU 13 -5.354 -0.722 -4.752 105 HD22 LEU 13 HD22 LEU 13 -4.832 0.853 -4.155 106 HD23 LEU 13 HD23 LEU 13 -6.239 0.731 -5.211 107 H LEU 14 HN LEU 14 -6.260 -3.372 -0.556 108 HA LEU 14 HA LEU 14 -4.298 -3.276 1.450 109 HB2 LEU 14 HB2 LEU 14 -6.744 -4.055 1.576 110 HB3 LEU 14 HB1 LEU 14 -6.154 -5.593 0.983 111 HG LEU 14 HG LEU 14 -4.643 -5.726 2.958 112 HD11 LEU 14 HD11 LEU 14 -4.529 -3.315 3.415 113 HD12 LEU 14 HD12 LEU 14 -5.036 -4.239 4.834 114 HD13 LEU 14 HD13 LEU 14 -6.228 -3.344 3.892 115 HD21 LEU 14 HD21 LEU 14 -6.797 -6.878 2.921 116 HD22 LEU 14 HD22 LEU 14 -7.583 -5.437 3.566 117 HD23 LEU 14 HD23 LEU 14 -6.405 -6.310 4.544 118 H SER 15 HN SER 15 -4.797 -5.383 -1.271 119 HA SER 15 HA SER 15 -2.835 -7.313 -0.673 120 HB2 SER 15 HB2 SER 15 -4.675 -7.615 -2.355 121 HB3 SER 15 HB1 SER 15 -3.841 -6.475 -3.408 122 HG SER 15 HG SER 15 -2.792 -8.162 -4.085 123 H LYS 16 HN LYS 16 -2.826 -4.228 -2.405 124 HA LYS 16 HA LYS 16 -0.080 -4.402 -3.093 125 HB2 LYS 16 HB2 LYS 16 -1.785 -1.921 -2.792 126 HB3 LYS 16 HB1 LYS 16 -0.157 -1.967 -3.452 127 HG2 LYS 16 HG2 LYS 16 -1.127 -3.653 -5.136 128 HG3 LYS 16 HG1 LYS 16 -2.695 -3.037 -4.613 129 HD2 LYS 16 HD2 LYS 16 -0.432 -1.473 -5.850 130 HD3 LYS 16 HD1 LYS 16 -2.009 -1.814 -6.559 131 HE2 LYS 16 HE2 LYS 16 -3.049 -0.502 -4.714 132 HE3 LYS 16 HE1 LYS 16 -1.423 -0.071 -4.171 133 HZ1 LYS 16 HZ1 LYS 16 -2.429 1.643 -5.572 134 HZ2 LYS 16 HZ2 LYS 16 -2.536 0.550 -6.853 135 HZ3 LYS 16 HZ3 LYS 16 -1.022 1.015 -6.264 136 H ASN 17 HN ASN 17 -1.823 -3.009 -0.294 137 HA ASN 17 HA ASN 17 0.401 -1.945 1.066 138 HB2 ASN 17 HB2 ASN 17 -1.960 -3.454 2.272 139 HB3 ASN 17 HB1 ASN 17 -0.857 -2.413 3.156 140 HD21 ASN 17 HD21 ASN 17 -0.736 -0.343 1.180 141 HD22 ASN 17 HD22 ASN 17 -2.276 0.441 1.188 142 H TYR 18 HN TYR 18 -0.847 -5.256 0.791 143 HA TYR 18 HA TYR 18 1.008 -6.439 2.577 144 HB2 TYR 18 HB2 TYR 18 -1.012 -7.604 1.831 145 HB3 TYR 18 HB1 TYR 18 -0.402 -7.638 0.180 146 HD1 TYR 18 HD1 TYR 18 0.942 -9.417 -0.553 147 HD2 TYR 18 HD2 TYR 18 0.302 -8.865 3.615 148 HE1 TYR 18 HE1 TYR 18 2.031 -11.575 -0.107 149 HE2 TYR 18 HE2 TYR 18 1.390 -11.020 4.073 150 HH TYR 18 HH TYR 18 3.205 -12.692 1.749 151 H HIS 19 HN HIS 19 1.042 -6.445 -0.996 152 HA HIS 19 HA HIS 19 3.614 -7.620 -1.163 153 HB2 HIS 19 HB2 HIS 19 1.912 -6.183 -3.192 154 HB3 HIS 19 HB1 HIS 19 3.480 -6.871 -3.591 155 HD1 HIS 19 HD1 HIS 19 3.491 -9.271 -4.268 156 HD2 HIS 19 HD2 HIS 19 -0.007 -8.207 -2.289 157 HE1 HIS 19 HE1 HIS 19 1.987 -11.278 -4.424 158 HE2 HIS 19 HE2 HIS 19 -0.172 -10.558 -3.350 159 H LEU 20 HN LEU 20 2.538 -4.266 -1.280 160 HA LEU 20 HA LEU 20 4.963 -3.194 -2.218 161 HB2 LEU 20 HB2 LEU 20 2.779 -2.133 -2.545 162 HB3 LEU 20 HB1 LEU 20 2.594 -1.936 -0.814 163 HG LEU 20 HG LEU 20 4.351 -0.393 -0.742 164 HD11 LEU 20 HD11 LEU 20 5.726 -1.389 -2.537 165 HD12 LEU 20 HD12 LEU 20 5.541 0.350 -2.698 166 HD13 LEU 20 HD13 LEU 20 4.597 -0.728 -3.716 167 HD21 LEU 20 HD21 LEU 20 3.410 1.427 -2.012 168 HD22 LEU 20 HD22 LEU 20 2.136 0.450 -1.275 169 HD23 LEU 20 HD23 LEU 20 2.498 0.280 -2.993 170 H GLU 21 HN GLU 21 3.600 -3.780 0.986 171 HA GLU 21 HA GLU 21 5.750 -2.511 2.365 172 HB2 GLU 21 HB2 GLU 21 3.407 -2.956 3.313 173 HB3 GLU 21 HB1 GLU 21 3.944 -4.620 3.530 174 HG2 GLU 21 HG2 GLU 21 5.776 -3.836 4.954 175 HG3 GLU 21 HG1 GLU 21 5.206 -2.179 4.753 176 H ASN 22 HN ASN 22 5.062 -5.750 1.218 177 HA ASN 22 HA ASN 22 7.248 -7.063 2.407 178 HB2 ASN 22 HB2 ASN 22 5.867 -7.550 -0.239 179 HB3 ASN 22 HB1 ASN 22 7.124 -8.600 0.399 180 HD21 ASN 22 HD21 ASN 22 6.230 -8.308 3.163 181 HD22 ASN 22 HD22 ASN 22 4.783 -9.242 3.292 182 H GLU 23 HN GLU 23 6.964 -4.972 -0.386 183 HA GLU 23 HA GLU 23 9.629 -5.338 -1.323 184 HB2 GLU 23 HB2 GLU 23 7.825 -2.930 -1.655 185 HB3 GLU 23 HB1 GLU 23 9.270 -3.274 -2.593 186 HG2 GLU 23 HG2 GLU 23 6.725 -4.882 -2.577 187 HG3 GLU 23 HG1 GLU 23 7.279 -3.805 -3.858 188 H VAL 24 HN VAL 24 8.084 -2.856 0.707 189 HA VAL 24 HA VAL 24 10.311 -1.279 1.206 190 HB VAL 24 HB VAL 24 7.963 -1.835 3.058 191 HG11 VAL 24 HG11 VAL 24 10.004 0.393 3.156 192 HG12 VAL 24 HG12 VAL 24 9.920 -0.961 4.287 193 HG13 VAL 24 HG13 VAL 24 8.605 0.213 4.217 194 HG21 VAL 24 HG21 VAL 24 7.281 -0.846 0.987 195 HG22 VAL 24 HG22 VAL 24 8.542 0.380 1.115 196 HG23 VAL 24 HG23 VAL 24 7.210 0.365 2.265 197 H ALA 25 HN ALA 25 9.086 -4.035 3.100 198 HA ALA 25 HA ALA 25 10.922 -3.900 5.197 199 HB1 ALA 25 HB1 ALA 25 8.871 -5.261 5.241 200 HB2 ALA 25 HB2 ALA 25 10.296 -6.201 5.691 201 HB3 ALA 25 HB3 ALA 25 9.598 -6.373 4.081 202 H ARG 26 HN ARG 26 11.121 -5.605 2.111 203 HA ARG 26 HA ARG 26 13.550 -6.951 2.643 204 HB2 ARG 26 HB2 ARG 26 11.960 -7.588 0.844 205 HB3 ARG 26 HB1 ARG 26 12.398 -6.128 -0.027 206 HG2 ARG 26 HG2 ARG 26 13.647 -7.782 -1.064 207 HG3 ARG 26 HG1 ARG 26 14.795 -7.036 0.046 208 HD2 ARG 26 HD2 ARG 26 13.240 -9.557 0.615 209 HD3 ARG 26 HD1 ARG 26 14.893 -9.517 0.018 210 HE ARG 26 HE ARG 26 14.042 -8.510 2.660 211 HH11 ARG 26 HH11 ARG 26 16.450 -9.936 0.552 212 HH12 ARG 26 HH12 ARG 26 17.598 -10.185 1.827 213 HH21 ARG 26 HH21 ARG 26 15.560 -8.824 4.333 214 HH22 ARG 26 HH22 ARG 26 17.096 -9.549 3.977 215 H LEU 27 HN LEU 27 12.817 -3.986 0.842 216 HA LEU 27 HA LEU 27 15.447 -3.324 0.139 217 HB2 LEU 27 HB2 LEU 27 12.934 -1.723 0.489 218 HB3 LEU 27 HB1 LEU 27 14.448 -0.926 0.164 219 HG LEU 27 HG LEU 27 14.583 -1.726 -2.009 220 HD11 LEU 27 HD11 LEU 27 14.223 -4.100 -1.529 221 HD12 LEU 27 HD12 LEU 27 13.276 -3.564 -2.915 222 HD13 LEU 27 HD13 LEU 27 12.494 -3.798 -1.353 223 HD21 LEU 27 HD21 LEU 27 12.820 -0.104 -1.815 224 HD22 LEU 27 HD22 LEU 27 11.663 -1.362 -1.384 225 HD23 LEU 27 HD23 LEU 27 12.359 -1.323 -3.003 226 H LYS 28 HN LYS 28 13.525 -2.492 2.984 227 HA LYS 28 HA LYS 28 15.271 -0.551 4.026 228 HB2 LYS 28 HB2 LYS 28 12.824 -1.043 4.637 229 HB3 LYS 28 HB1 LYS 28 13.471 -2.270 5.716 230 HG2 LYS 28 HG2 LYS 28 12.983 -0.144 6.855 231 HG3 LYS 28 HG1 LYS 28 14.685 -0.603 6.961 232 HD2 LYS 28 HD2 LYS 28 15.327 1.009 5.373 233 HD3 LYS 28 HD1 LYS 28 13.670 1.248 4.823 234 HE2 LYS 28 HE2 LYS 28 14.451 3.118 6.177 235 HE3 LYS 28 HE1 LYS 28 13.099 2.287 6.944 236 HZ1 LYS 28 HZ1 LYS 28 15.966 1.973 7.654 237 HZ2 LYS 28 HZ2 LYS 28 14.690 1.126 8.364 238 HZ3 LYS 28 HZ3 LYS 28 14.798 2.799 8.554 239 H LYS 29 HN LYS 29 15.316 -4.027 4.188 240 HA LYS 29 HA LYS 29 17.196 -4.214 6.331 241 HB2 LYS 29 HB2 LYS 29 15.805 -6.117 5.764 242 HB3 LYS 29 HB1 LYS 29 16.465 -6.160 4.135 243 HG2 LYS 29 HG2 LYS 29 17.419 -7.915 5.507 244 HG3 LYS 29 HG1 LYS 29 18.660 -6.744 5.039 245 HD2 LYS 29 HD2 LYS 29 18.398 -5.651 7.244 246 HD3 LYS 29 HD1 LYS 29 17.250 -6.918 7.704 247 HE2 LYS 29 HE2 LYS 29 18.987 -8.604 7.403 248 HE3 LYS 29 HE1 LYS 29 20.127 -7.353 6.911 249 HZ1 LYS 29 HZ1 LYS 29 20.483 -7.908 9.200 250 HZ2 LYS 29 HZ2 LYS 29 18.860 -7.640 9.579 251 HZ3 LYS 29 HZ3 LYS 29 19.845 -6.344 9.126 252 H LEU 30 HN LEU 30 17.422 -4.019 2.836 253 HA LEU 30 HA LEU 30 20.251 -4.436 2.742 254 HB2 LEU 30 HB2 LEU 30 18.192 -3.599 0.728 255 HB3 LEU 30 HB1 LEU 30 19.898 -3.473 0.351 256 HG LEU 30 HG LEU 30 20.127 -5.918 0.784 257 HD11 LEU 30 HD11 LEU 30 18.131 -7.307 0.857 258 HD12 LEU 30 HD12 LEU 30 17.124 -5.861 0.936 259 HD13 LEU 30 HD13 LEU 30 18.227 -6.240 2.258 260 HD21 LEU 30 HD21 LEU 30 18.115 -5.143 -1.317 261 HD22 LEU 30 HD22 LEU 30 19.064 -6.630 -1.294 262 HD23 LEU 30 HD23 LEU 30 19.870 -5.072 -1.478 263 H VAL 31 HN VAL 31 18.109 -1.648 2.797 264 HA VAL 31 HA VAL 31 20.208 0.294 2.630 265 HB VAL 31 HB VAL 31 17.453 0.577 3.867 266 HG11 VAL 31 HG11 VAL 31 18.994 2.322 4.593 267 HG12 VAL 31 HG12 VAL 31 17.758 2.977 3.517 268 HG13 VAL 31 HG13 VAL 31 19.389 2.684 2.913 269 HG21 VAL 31 HG21 VAL 31 18.396 1.214 1.073 270 HG22 VAL 31 HG22 VAL 31 16.804 1.595 1.731 271 HG23 VAL 31 HG23 VAL 31 17.297 -0.086 1.534 272 H GLY 32 HN GLY 32 18.856 -1.733 5.035 273 HA2 GLY 32 HA2 GLY 32 19.667 -0.424 7.383 274 HA3 GLY 32 HA1 GLY 32 19.347 -2.146 7.208 275 H GLU 33 HN GLU 33 21.242 -3.042 5.552 276 HA GLU 33 HA GLU 33 23.770 -2.253 6.838 277 HB2 GLU 33 HB2 GLU 33 22.913 -4.430 7.685 278 HB3 GLU 33 HB1 GLU 33 22.960 -5.058 6.043 279 HG2 GLU 33 HG2 GLU 33 25.389 -4.672 5.994 280 HG3 GLU 33 HG1 GLU 33 25.318 -4.119 7.664 281 H1 GLY 1 HT1 GLY 1 -26.805 4.140 3.873 282 H2 GLY 1 HT2 GLY 1 -27.418 5.374 2.896 283 H3 GLY 1 HT3 GLY 1 -26.092 5.669 3.898 284 HA2 GLY 1 HA1 GLY 1 -26.142 3.844 1.566 285 HA3 GLY 1 HA2 GLY 1 -25.368 5.422 1.621 286 H SER 2 HN SER 2 -23.834 3.349 0.902 287 HA SER 2 HA SER 2 -22.140 2.930 3.273 288 HB2 SER 2 HB2 SER 2 -21.539 0.693 2.102 289 HB3 SER 2 HB1 SER 2 -23.070 0.796 2.976 290 HG SER 2 HG SER 2 -22.736 1.165 0.174 291 H MET 3 HN MET 3 -22.379 4.154 0.179 292 HA MET 3 HA MET 3 -20.089 3.222 -1.110 293 HB2 MET 3 HB2 MET 3 -21.554 5.838 -1.452 294 HB3 MET 3 HB1 MET 3 -20.301 5.257 -2.539 295 HG2 MET 3 HG2 MET 3 -22.924 3.895 -1.978 296 HG3 MET 3 HG1 MET 3 -22.525 4.825 -3.420 297 HE1 MET 3 HE1 MET 3 -19.805 2.602 -5.127 298 HE2 MET 3 HE2 MET 3 -19.507 3.923 -3.998 299 HE3 MET 3 HE3 MET 3 -20.763 4.079 -5.226 300 H LYS 4 HN LYS 4 -20.499 6.303 0.661 301 HA LYS 4 HA LYS 4 -17.805 7.059 0.141 302 HB2 LYS 4 HB2 LYS 4 -18.235 8.936 1.718 303 HB3 LYS 4 HB1 LYS 4 -19.401 8.810 0.412 304 HG2 LYS 4 HG2 LYS 4 -21.054 7.912 1.875 305 HG3 LYS 4 HG1 LYS 4 -19.881 7.737 3.180 306 HD2 LYS 4 HD2 LYS 4 -21.322 9.688 3.518 307 HD3 LYS 4 HD1 LYS 4 -19.637 10.159 3.299 308 HE2 LYS 4 HE2 LYS 4 -21.108 11.647 2.064 309 HE3 LYS 4 HE1 LYS 4 -20.104 10.715 0.957 310 HZ1 LYS 4 HZ1 LYS 4 -21.963 9.260 0.522 311 HZ2 LYS 4 HZ2 LYS 4 -22.415 10.859 0.227 312 HZ3 LYS 4 HZ3 LYS 4 -22.925 10.088 1.639 313 H GLN 5 HN GLN 5 -19.175 5.081 2.576 314 HA GLN 5 HA GLN 5 -17.047 5.588 4.486 315 HB2 GLN 5 HB2 GLN 5 -19.234 3.506 4.641 316 HB3 GLN 5 HB1 GLN 5 -18.157 3.994 5.940 317 HG2 GLN 5 HG2 GLN 5 -19.850 5.297 6.566 318 HG3 GLN 5 HG1 GLN 5 -19.302 6.362 5.270 319 HE21 GLN 5 HE21 GLN 5 -21.640 4.001 6.245 320 HE22 GLN 5 HE22 GLN 5 -22.773 4.290 4.964 321 H LEU 6 HN LEU 6 -18.211 3.067 2.327 322 HA LEU 6 HA LEU 6 -16.103 1.249 2.785 323 HB2 LEU 6 HB2 LEU 6 -18.093 1.704 0.618 324 HB3 LEU 6 HB1 LEU 6 -16.702 0.714 0.249 325 HG LEU 6 HG LEU 6 -18.765 -0.552 0.905 326 HD11 LEU 6 HD11 LEU 6 -16.498 -1.519 1.061 327 HD12 LEU 6 HD12 LEU 6 -17.607 -2.164 2.270 328 HD13 LEU 6 HD13 LEU 6 -16.399 -0.970 2.734 329 HD21 LEU 6 HD21 LEU 6 -19.552 0.976 2.656 330 HD22 LEU 6 HD22 LEU 6 -18.158 0.551 3.649 331 HD23 LEU 6 HD23 LEU 6 -19.366 -0.671 3.257 332 H GLU 7 HN GLU 7 -16.581 3.820 0.381 333 HA GLU 7 HA GLU 7 -14.064 3.676 -0.831 334 HB2 GLU 7 HB2 GLU 7 -15.900 6.031 -0.409 335 HB3 GLU 7 HB1 GLU 7 -14.430 6.111 -1.371 336 HG2 GLU 7 HG2 GLU 7 -15.321 4.367 -2.847 337 HG3 GLU 7 HG1 GLU 7 -16.809 4.347 -1.900 338 H ASP 8 HN ASP 8 -15.112 5.256 2.167 339 HA ASP 8 HA ASP 8 -12.771 6.696 2.717 340 HB2 ASP 8 HB2 ASP 8 -14.850 5.435 4.446 341 HB3 ASP 8 HB1 ASP 8 -13.360 5.981 5.204 342 H LYS 9 HN LYS 9 -13.480 3.281 3.179 343 HA LYS 9 HA LYS 9 -11.027 2.691 4.525 344 HB2 LYS 9 HB2 LYS 9 -12.949 0.842 3.101 345 HB3 LYS 9 HB1 LYS 9 -11.659 0.339 4.183 346 HG2 LYS 9 HG2 LYS 9 -14.008 2.051 4.970 347 HG3 LYS 9 HG1 LYS 9 -13.876 0.316 5.243 348 HD2 LYS 9 HD2 LYS 9 -11.925 2.345 6.321 349 HD3 LYS 9 HD1 LYS 9 -13.308 1.731 7.225 350 HE2 LYS 9 HE2 LYS 9 -11.071 0.042 6.108 351 HE3 LYS 9 HE1 LYS 9 -11.202 0.569 7.784 352 HZ1 LYS 9 HZ1 LYS 9 -13.149 -1.162 6.357 353 HZ2 LYS 9 HZ2 LYS 9 -13.279 -0.657 7.964 354 HZ3 LYS 9 HZ3 LYS 9 -12.016 -1.680 7.500 355 H VAL 10 HN VAL 10 -12.193 2.410 1.204 356 HA VAL 10 HA VAL 10 -10.049 1.022 0.090 357 HB VAL 10 HB VAL 10 -11.513 3.225 -1.357 358 HG11 VAL 10 HG11 VAL 10 -10.286 0.641 -2.293 359 HG12 VAL 10 HG12 VAL 10 -9.635 2.262 -2.546 360 HG13 VAL 10 HG13 VAL 10 -11.151 1.790 -3.312 361 HG21 VAL 10 HG21 VAL 10 -13.262 1.720 -1.945 362 HG22 VAL 10 HG22 VAL 10 -13.116 1.704 -0.186 363 HG23 VAL 10 HG23 VAL 10 -12.451 0.379 -1.142 364 H GLU 11 HN GLU 11 -10.588 4.549 0.103 365 HA GLU 11 HA GLU 11 -8.032 5.102 -1.032 366 HB2 GLU 11 HB2 GLU 11 -8.577 7.452 -0.646 367 HB3 GLU 11 HB1 GLU 11 -9.952 6.603 -1.339 368 HG2 GLU 11 HG2 GLU 11 -10.983 6.462 0.864 369 HG3 GLU 11 HG1 GLU 11 -9.601 7.303 1.566 370 H GLU 12 HN GLU 12 -9.055 4.459 2.176 371 HA GLU 12 HA GLU 12 -7.030 5.888 3.570 372 HB2 GLU 12 HB2 GLU 12 -9.216 4.479 4.361 373 HB3 GLU 12 HB1 GLU 12 -7.951 3.305 4.695 374 HG2 GLU 12 HG2 GLU 12 -8.156 6.098 5.800 375 HG3 GLU 12 HG1 GLU 12 -8.432 4.594 6.671 376 H LEU 13 HN LEU 13 -7.329 2.596 2.326 377 HA LEU 13 HA LEU 13 -4.643 1.854 2.947 378 HB2 LEU 13 HB2 LEU 13 -6.538 0.674 0.916 379 HB3 LEU 13 HB1 LEU 13 -5.084 -0.086 1.536 380 HG LEU 13 HG LEU 13 -7.552 0.568 3.147 381 HD11 LEU 13 HD11 LEU 13 -6.442 -2.054 2.178 382 HD12 LEU 13 HD12 LEU 13 -7.909 -1.262 1.603 383 HD13 LEU 13 HD13 LEU 13 -7.820 -1.858 3.260 384 HD21 LEU 13 HD21 LEU 13 -5.541 0.734 4.504 385 HD22 LEU 13 HD22 LEU 13 -5.005 -0.846 3.934 386 HD23 LEU 13 HD23 LEU 13 -6.454 -0.712 4.931 387 H LEU 14 HN LEU 14 -6.257 3.375 0.261 388 HA LEU 14 HA LEU 14 -4.216 3.253 -1.662 389 HB2 LEU 14 HB2 LEU 14 -6.650 4.053 -1.885 390 HB3 LEU 14 HB1 LEU 14 -6.069 5.589 -1.277 391 HG LEU 14 HG LEU 14 -4.483 5.702 -3.195 392 HD11 LEU 14 HD11 LEU 14 -4.368 3.292 -3.638 393 HD12 LEU 14 HD12 LEU 14 -4.816 4.211 -5.078 394 HD13 LEU 14 HD13 LEU 14 -6.049 3.328 -4.178 395 HD21 LEU 14 HD21 LEU 14 -6.633 6.867 -3.248 396 HD22 LEU 14 HD22 LEU 14 -7.398 5.428 -3.918 397 HD23 LEU 14 HD23 LEU 14 -6.176 6.292 -4.850 398 H SER 15 HN SER 15 -4.814 5.385 1.024 399 HA SER 15 HA SER 15 -2.811 7.294 0.506 400 HB2 SER 15 HB2 SER 15 -4.720 7.609 2.109 401 HB3 SER 15 HB1 SER 15 -3.936 6.468 3.200 402 HG SER 15 HG SER 15 -2.894 8.142 3.920 403 H LYS 16 HN LYS 16 -2.894 4.216 2.252 404 HA LYS 16 HA LYS 16 -0.176 4.368 3.044 405 HB2 LYS 16 HB2 LYS 16 -1.886 1.900 2.685 406 HB3 LYS 16 HB1 LYS 16 -0.285 1.936 3.409 407 HG2 LYS 16 HG2 LYS 16 -1.309 3.635 5.050 408 HG3 LYS 16 HG1 LYS 16 -2.860 3.031 4.464 409 HD2 LYS 16 HD2 LYS 16 -0.666 1.451 5.796 410 HD3 LYS 16 HD1 LYS 16 -2.267 1.808 6.440 411 HE2 LYS 16 HE2 LYS 16 -3.243 0.498 4.560 412 HE3 LYS 16 HE1 LYS 16 -1.601 0.057 4.074 413 HZ1 LYS 16 HZ1 LYS 16 -2.658 -1.654 5.434 414 HZ2 LYS 16 HZ2 LYS 16 -2.817 -0.557 6.712 415 HZ3 LYS 16 HZ3 LYS 16 -1.281 -1.024 6.183 416 H ASN 17 HN ASN 17 -1.817 2.976 0.182 417 HA ASN 17 HA ASN 17 0.454 1.893 -1.082 418 HB2 ASN 17 HB2 ASN 17 -1.844 3.415 -2.387 419 HB3 ASN 17 HB1 ASN 17 -0.713 2.364 -3.222 420 HD21 ASN 17 HD21 ASN 17 -0.689 0.299 -1.233 421 HD22 ASN 17 HD22 ASN 17 -2.236 -0.472 -1.301 422 H TYR 18 HN TYR 18 -0.780 5.215 -0.865 423 HA TYR 18 HA TYR 18 1.154 6.378 -2.581 424 HB2 TYR 18 HB2 TYR 18 -0.886 7.560 -1.925 425 HB3 TYR 18 HB1 TYR 18 -0.346 7.596 -0.251 426 HD1 TYR 18 HD1 TYR 18 0.980 9.364 0.531 427 HD2 TYR 18 HD2 TYR 18 0.512 8.806 -3.657 428 HE1 TYR 18 HE1 TYR 18 2.101 11.511 0.126 429 HE2 TYR 18 HE2 TYR 18 1.633 10.952 -4.074 430 HH TYR 18 HH TYR 18 3.353 12.621 -1.664 431 H HIS 19 HN HIS 19 1.042 6.397 0.993 432 HA HIS 19 HA HIS 19 3.614 7.556 1.258 433 HB2 HIS 19 HB2 HIS 19 1.821 6.135 3.221 434 HB3 HIS 19 HB1 HIS 19 3.375 6.816 3.683 435 HD1 HIS 19 HD1 HIS 19 3.381 9.218 4.335 436 HD2 HIS 19 HD2 HIS 19 -0.050 8.168 2.236 437 HE1 HIS 19 HE1 HIS 19 1.884 11.238 4.430 438 HE2 HIS 19 HE2 HIS 19 -0.238 10.531 3.269 439 H LEU 20 HN LEU 20 2.512 4.209 1.340 440 HA LEU 20 HA LEU 20 4.891 3.123 2.376 441 HB2 LEU 20 HB2 LEU 20 2.686 2.077 2.620 442 HB3 LEU 20 HB1 LEU 20 2.571 1.873 0.885 443 HG LEU 20 HG LEU 20 4.319 0.321 0.888 444 HD11 LEU 20 HD11 LEU 20 5.631 1.313 2.729 445 HD12 LEU 20 HD12 LEU 20 5.428 -0.425 2.892 446 HD13 LEU 20 HD13 LEU 20 4.454 0.665 3.869 447 HD21 LEU 20 HD21 LEU 20 3.312 -1.491 2.123 448 HD22 LEU 20 HD22 LEU 20 2.076 -0.506 1.333 449 HD23 LEU 20 HD23 LEU 20 2.369 -0.336 3.063 450 H GLU 21 HN GLU 21 3.660 3.710 -0.882 451 HA GLU 21 HA GLU 21 5.856 2.421 -2.169 452 HB2 GLU 21 HB2 GLU 21 3.555 2.879 -3.212 453 HB3 GLU 21 HB1 GLU 21 4.114 4.536 -3.415 454 HG2 GLU 21 HG2 GLU 21 5.992 3.730 -4.767 455 HG3 GLU 21 HG1 GLU 21 5.400 2.080 -4.580 456 H ASN 22 HN ASN 22 5.144 5.670 -1.066 457 HA ASN 22 HA ASN 22 7.384 6.962 -2.169 458 HB2 ASN 22 HB2 ASN 22 5.903 7.466 0.419 459 HB3 ASN 22 HB1 ASN 22 7.195 8.504 -0.169 460 HD21 ASN 22 HD21 ASN 22 6.413 8.206 -2.967 461 HD22 ASN 22 HD22 ASN 22 4.981 9.154 -3.158 462 H GLU 23 HN GLU 23 6.976 4.886 0.621 463 HA GLU 23 HA GLU 23 9.606 5.229 1.661 464 HB2 GLU 23 HB2 GLU 23 7.768 2.838 1.927 465 HB3 GLU 23 HB1 GLU 23 9.179 3.170 2.920 466 HG2 GLU 23 HG2 GLU 23 6.653 4.800 2.801 467 HG3 GLU 23 HG1 GLU 23 7.153 3.726 4.105 468 H VAL 24 HN VAL 24 8.123 2.749 -0.419 469 HA VAL 24 HA VAL 24 10.355 1.154 -0.824 470 HB VAL 24 HB VAL 24 8.091 1.724 -2.772 471 HG11 VAL 24 HG11 VAL 24 10.120 -0.518 -2.784 472 HG12 VAL 24 HG12 VAL 24 10.087 0.832 -3.921 473 HG13 VAL 24 HG13 VAL 24 8.764 -0.334 -3.901 474 HG21 VAL 24 HG21 VAL 24 7.319 0.747 -0.724 475 HG22 VAL 24 HG22 VAL 24 8.575 -0.490 -0.798 476 HG23 VAL 24 HG23 VAL 24 7.287 -0.468 -2.000 477 H ALA 25 HN ALA 25 9.229 3.911 -2.774 478 HA ALA 25 HA ALA 25 11.149 3.758 -4.793 479 HB1 ALA 25 HB1 ALA 25 9.110 5.130 -4.920 480 HB2 ALA 25 HB2 ALA 25 10.556 6.060 -5.314 481 HB3 ALA 25 HB3 ALA 25 9.798 6.239 -3.734 482 H ARG 26 HN ARG 26 11.235 5.477 -1.707 483 HA ARG 26 HA ARG 26 13.691 6.803 -2.151 484 HB2 ARG 26 HB2 ARG 26 12.035 7.458 -0.415 485 HB3 ARG 26 HB1 ARG 26 12.429 5.997 0.477 486 HG2 ARG 26 HG2 ARG 26 13.644 7.647 1.557 487 HG3 ARG 26 HG1 ARG 26 14.832 6.891 0.498 488 HD2 ARG 26 HD2 ARG 26 13.315 9.421 -0.140 489 HD3 ARG 26 HD1 ARG 26 14.945 9.371 0.519 490 HE ARG 26 HE ARG 26 14.187 8.367 -2.150 491 HH11 ARG 26 HH11 ARG 26 16.513 9.779 0.049 492 HH12 ARG 26 HH12 ARG 26 17.727 9.992 -1.166 493 HH21 ARG 26 HH21 ARG 26 15.784 8.650 -3.761 494 HH22 ARG 26 HH22 ARG 26 17.315 9.350 -3.337 495 H LEU 27 HN LEU 27 12.868 3.853 -0.364 496 HA LEU 27 HA LEU 27 15.461 3.170 0.441 497 HB2 LEU 27 HB2 LEU 27 12.950 1.587 -0.004 498 HB3 LEU 27 HB1 LEU 27 14.443 0.782 0.387 499 HG LEU 27 HG LEU 27 14.494 1.589 2.562 500 HD11 LEU 27 HD11 LEU 27 14.173 3.967 2.061 501 HD12 LEU 27 HD12 LEU 27 13.166 3.440 3.410 502 HD13 LEU 27 HD13 LEU 27 12.450 3.677 1.816 503 HD21 LEU 27 HD21 LEU 27 12.731 -0.020 2.300 504 HD22 LEU 27 HD22 LEU 27 11.598 1.244 1.822 505 HD23 LEU 27 HD23 LEU 27 12.231 1.206 3.466 506 H LYS 28 HN LYS 28 13.650 2.347 -2.482 507 HA LYS 28 HA LYS 28 15.426 0.389 -3.443 508 HB2 LYS 28 HB2 LYS 28 13.005 0.889 -4.151 509 HB3 LYS 28 HB1 LYS 28 13.700 2.108 -5.210 510 HG2 LYS 28 HG2 LYS 28 13.244 -0.019 -6.357 511 HG3 LYS 28 HG1 LYS 28 14.952 0.427 -6.399 512 HD2 LYS 28 HD2 LYS 28 15.522 -1.179 -4.779 513 HD3 LYS 28 HD1 LYS 28 13.843 -1.404 -4.294 514 HE2 LYS 28 HE2 LYS 28 14.668 -3.286 -5.608 515 HE3 LYS 28 HE1 LYS 28 13.346 -2.454 -6.421 516 HZ1 LYS 28 HZ1 LYS 28 16.234 -2.164 -7.038 517 HZ2 LYS 28 HZ2 LYS 28 14.993 -1.302 -7.791 518 HZ3 LYS 28 HZ3 LYS 28 15.088 -2.977 -7.977 519 H LYS 29 HN LYS 29 15.501 3.860 -3.603 520 HA LYS 29 HA LYS 29 17.465 4.029 -5.674 521 HB2 LYS 29 HB2 LYS 29 16.065 5.946 -5.168 522 HB3 LYS 29 HB1 LYS 29 16.662 5.990 -3.515 523 HG2 LYS 29 HG2 LYS 29 17.688 7.730 -4.851 524 HG3 LYS 29 HG1 LYS 29 18.896 6.549 -4.332 525 HD2 LYS 29 HD2 LYS 29 18.714 5.454 -6.545 526 HD3 LYS 29 HD1 LYS 29 17.596 6.730 -7.051 527 HE2 LYS 29 HE2 LYS 29 19.333 8.401 -6.690 528 HE3 LYS 29 HE1 LYS 29 20.443 7.146 -6.140 529 HZ1 LYS 29 HZ1 LYS 29 20.900 7.681 -8.414 530 HZ2 LYS 29 HZ2 LYS 29 19.292 7.415 -8.861 531 HZ3 LYS 29 HZ3 LYS 29 20.252 6.121 -8.352 532 H LEU 30 HN LEU 30 17.546 3.851 -2.170 533 HA LEU 30 HA LEU 30 20.373 4.241 -1.966 534 HB2 LEU 30 HB2 LEU 30 18.229 3.428 -0.035 535 HB3 LEU 30 HB1 LEU 30 19.918 3.289 0.410 536 HG LEU 30 HG LEU 30 20.184 5.728 -0.023 537 HD11 LEU 30 HD11 LEU 30 18.196 7.130 -0.181 538 HD12 LEU 30 HD12 LEU 30 17.187 5.689 -0.294 539 HD13 LEU 30 HD13 LEU 30 18.345 6.057 -1.572 540 HD21 LEU 30 HD21 LEU 30 18.086 4.974 2.001 541 HD22 LEU 30 HD22 LEU 30 19.043 6.455 2.011 542 HD23 LEU 30 HD23 LEU 30 19.833 4.895 2.232 543 H VAL 31 HN VAL 31 18.211 1.464 -2.092 544 HA VAL 31 HA VAL 31 20.292 -0.491 -1.843 545 HB VAL 31 HB VAL 31 17.585 -0.760 -3.184 546 HG11 VAL 31 HG11 VAL 31 19.144 -2.518 -3.840 547 HG12 VAL 31 HG12 VAL 31 17.859 -3.158 -2.817 548 HG13 VAL 31 HG13 VAL 31 19.464 -2.876 -2.144 549 HG21 VAL 31 HG21 VAL 31 18.412 -1.393 -0.355 550 HG22 VAL 31 HG22 VAL 31 16.844 -1.763 -1.072 551 HG23 VAL 31 HG23 VAL 31 17.343 -0.084 -0.861 552 H GLY 32 HN GLY 32 19.060 1.548 -4.296 553 HA2 GLY 32 HA2 GLY 32 19.942 0.219 -6.612 554 HA3 GLY 32 HA1 GLY 32 19.636 1.944 -6.452 555 H GLU 33 HN GLU 33 21.461 2.838 -4.742 556 HA GLU 33 HA GLU 33 24.039 2.020 -5.907 557 HB2 GLU 33 HB2 GLU 33 23.230 4.200 -6.800 558 HB3 GLU 33 HB1 GLU 33 23.211 4.833 -5.161 559 HG2 GLU 33 HG2 GLU 33 25.632 4.439 -5.005 560 HG3 GLU 33 HG1 GLU 33 25.629 3.875 -6.674 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 -24.172 -6.790 -1.528 2 H2 GLY 1 HT2 GLY 1 -25.355 -7.478 -2.521 3 H3 GLY 1 HT3 GLY 1 -25.199 -5.799 -2.434 4 HA2 GLY 1 HA1 GLY 1 -23.225 -7.694 -3.572 5 HA3 GLY 1 HA2 GLY 1 -24.248 -6.593 -4.483 6 H SER 2 HN SER 2 -24.034 -4.308 -2.902 7 HA SER 2 HA SER 2 -21.782 -3.104 -3.964 8 HB2 SER 2 HB2 SER 2 -22.281 -1.306 -2.189 9 HB3 SER 2 HB1 SER 2 -23.559 -1.691 -3.344 10 HG SER 2 HG SER 2 -24.478 -1.684 -1.326 11 H MET 3 HN MET 3 -22.253 -4.489 -0.742 12 HA MET 3 HA MET 3 -19.927 -3.556 0.462 13 HB2 MET 3 HB2 MET 3 -21.584 -6.019 0.917 14 HB3 MET 3 HB1 MET 3 -20.139 -5.706 1.868 15 HG2 MET 3 HG2 MET 3 -22.498 -3.852 1.648 16 HG3 MET 3 HG1 MET 3 -22.202 -4.973 2.978 17 HE1 MET 3 HE1 MET 3 -21.476 -1.442 4.551 18 HE2 MET 3 HE2 MET 3 -22.450 -2.908 4.655 19 HE3 MET 3 HE3 MET 3 -22.675 -1.795 3.308 20 H LYS 4 HN LYS 4 -20.429 -6.561 -1.378 21 HA LYS 4 HA LYS 4 -17.750 -7.456 -0.947 22 HB2 LYS 4 HB2 LYS 4 -19.963 -8.386 -2.756 23 HB3 LYS 4 HB1 LYS 4 -18.371 -9.130 -2.765 24 HG2 LYS 4 HG2 LYS 4 -20.145 -8.916 -0.344 25 HG3 LYS 4 HG1 LYS 4 -20.025 -10.335 -1.384 26 HD2 LYS 4 HD2 LYS 4 -17.755 -9.105 0.181 27 HD3 LYS 4 HD1 LYS 4 -18.645 -10.559 0.630 28 HE2 LYS 4 HE2 LYS 4 -16.956 -10.190 -1.844 29 HE3 LYS 4 HE1 LYS 4 -16.535 -11.145 -0.425 30 HZ1 LYS 4 HZ1 LYS 4 -18.792 -11.676 -2.282 31 HZ2 LYS 4 HZ2 LYS 4 -18.454 -12.567 -0.886 32 HZ3 LYS 4 HZ3 LYS 4 -17.355 -12.563 -2.170 33 H GLN 5 HN GLN 5 -19.047 -5.183 -3.051 34 HA GLN 5 HA GLN 5 -17.047 -5.659 -5.123 35 HB2 GLN 5 HB2 GLN 5 -19.413 -3.779 -5.022 36 HB3 GLN 5 HB1 GLN 5 -18.265 -3.847 -6.353 37 HG2 GLN 5 HG2 GLN 5 -18.889 -6.153 -6.796 38 HG3 GLN 5 HG1 GLN 5 -20.006 -6.123 -5.434 39 HE21 GLN 5 HE21 GLN 5 -19.559 -3.403 -7.568 40 HE22 GLN 5 HE22 GLN 5 -21.115 -3.489 -8.317 41 H LEU 6 HN LEU 6 -18.214 -3.193 -2.897 42 HA LEU 6 HA LEU 6 -16.114 -1.354 -3.398 43 HB2 LEU 6 HB2 LEU 6 -18.182 -1.693 -1.269 44 HB3 LEU 6 HB1 LEU 6 -16.841 -0.611 -0.976 45 HG LEU 6 HG LEU 6 -18.902 0.527 -1.773 46 HD11 LEU 6 HD11 LEU 6 -17.816 2.012 -3.284 47 HD12 LEU 6 HD12 LEU 6 -16.635 0.790 -3.738 48 HD13 LEU 6 HD13 LEU 6 -16.618 1.467 -2.110 49 HD21 LEU 6 HD21 LEU 6 -19.528 0.355 -4.128 50 HD22 LEU 6 HD22 LEU 6 -19.728 -1.185 -3.292 51 HD23 LEU 6 HD23 LEU 6 -18.342 -0.930 -4.353 52 H GLU 7 HN GLU 7 -16.669 -3.824 -0.897 53 HA GLU 7 HA GLU 7 -14.207 -3.411 0.426 54 HB2 GLU 7 HB2 GLU 7 -16.158 -4.633 1.389 55 HB3 GLU 7 HB1 GLU 7 -15.800 -5.975 0.312 56 HG2 GLU 7 HG2 GLU 7 -13.662 -6.309 1.379 57 HG3 GLU 7 HG1 GLU 7 -13.922 -4.896 2.400 58 H ASP 8 HN ASP 8 -15.089 -5.341 -2.419 59 HA ASP 8 HA ASP 8 -12.644 -6.743 -2.620 60 HB2 ASP 8 HB2 ASP 8 -14.878 -6.165 -4.410 61 HB3 ASP 8 HB1 ASP 8 -13.333 -6.263 -5.250 62 H LYS 9 HN LYS 9 -13.491 -3.451 -3.375 63 HA LYS 9 HA LYS 9 -11.080 -2.858 -4.804 64 HB2 LYS 9 HB2 LYS 9 -12.942 -0.951 -3.373 65 HB3 LYS 9 HB1 LYS 9 -11.758 -0.531 -4.604 66 HG2 LYS 9 HG2 LYS 9 -13.004 -1.763 -6.267 67 HG3 LYS 9 HG1 LYS 9 -14.161 -2.290 -5.043 68 HD2 LYS 9 HD2 LYS 9 -14.723 0.095 -4.632 69 HD3 LYS 9 HD1 LYS 9 -13.663 0.535 -5.972 70 HE2 LYS 9 HE2 LYS 9 -16.112 -1.216 -6.135 71 HE3 LYS 9 HE1 LYS 9 -15.983 0.449 -6.701 72 HZ1 LYS 9 HZ1 LYS 9 -15.746 -1.129 -8.512 73 HZ2 LYS 9 HZ2 LYS 9 -14.425 -1.851 -7.746 74 HZ3 LYS 9 HZ3 LYS 9 -14.314 -0.258 -8.294 75 H VAL 10 HN VAL 10 -12.220 -2.459 -1.490 76 HA VAL 10 HA VAL 10 -10.034 -1.048 -0.453 77 HB VAL 10 HB VAL 10 -11.576 -3.092 1.132 78 HG11 VAL 10 HG11 VAL 10 -9.706 -2.070 2.271 79 HG12 VAL 10 HG12 VAL 10 -11.223 -1.500 2.967 80 HG13 VAL 10 HG13 VAL 10 -10.312 -0.462 1.867 81 HG21 VAL 10 HG21 VAL 10 -13.140 -1.659 -0.186 82 HG22 VAL 10 HG22 VAL 10 -12.471 -0.263 0.659 83 HG23 VAL 10 HG23 VAL 10 -13.311 -1.521 1.563 84 H GLU 11 HN GLU 11 -10.715 -4.545 -0.335 85 HA GLU 11 HA GLU 11 -8.237 -5.179 0.915 86 HB2 GLU 11 HB2 GLU 11 -10.289 -6.572 1.092 87 HB3 GLU 11 HB1 GLU 11 -10.119 -7.008 -0.601 88 HG2 GLU 11 HG2 GLU 11 -7.999 -8.093 -0.131 89 HG3 GLU 11 HG1 GLU 11 -8.117 -7.619 1.561 90 H GLU 12 HN GLU 12 -9.130 -4.627 -2.374 91 HA GLU 12 HA GLU 12 -7.026 -6.057 -3.630 92 HB2 GLU 12 HB2 GLU 12 -8.974 -5.182 -4.878 93 HB3 GLU 12 HB1 GLU 12 -8.439 -3.540 -4.548 94 HG2 GLU 12 HG2 GLU 12 -6.385 -3.967 -5.815 95 HG3 GLU 12 HG1 GLU 12 -6.958 -5.595 -6.176 96 H LEU 13 HN LEU 13 -7.381 -2.703 -2.530 97 HA LEU 13 HA LEU 13 -4.686 -1.990 -3.073 98 HB2 LEU 13 HB2 LEU 13 -6.709 -0.762 -1.206 99 HB3 LEU 13 HB1 LEU 13 -5.151 -0.051 -1.585 100 HG LEU 13 HG LEU 13 -7.412 -0.529 -3.529 101 HD11 LEU 13 HD11 LEU 13 -6.217 2.016 -2.455 102 HD12 LEU 13 HD12 LEU 13 -7.774 1.334 -1.989 103 HD13 LEU 13 HD13 LEU 13 -7.514 1.892 -3.642 104 HD21 LEU 13 HD21 LEU 13 -4.675 0.660 -3.968 105 HD22 LEU 13 HD22 LEU 13 -5.996 0.683 -5.136 106 HD23 LEU 13 HD23 LEU 13 -5.283 -0.852 -4.643 107 H LEU 14 HN LEU 14 -6.318 -3.543 -0.454 108 HA LEU 14 HA LEU 14 -4.295 -3.381 1.514 109 HB2 LEU 14 HB2 LEU 14 -6.727 -4.152 1.750 110 HB3 LEU 14 HB1 LEU 14 -6.185 -5.688 1.112 111 HG LEU 14 HG LEU 14 -4.557 -5.818 3.027 112 HD11 LEU 14 HD11 LEU 14 -4.993 -4.430 4.974 113 HD12 LEU 14 HD12 LEU 14 -6.225 -3.542 4.077 114 HD13 LEU 14 HD13 LEU 14 -4.530 -3.437 3.590 115 HD21 LEU 14 HD21 LEU 14 -7.498 -5.706 3.684 116 HD22 LEU 14 HD22 LEU 14 -6.261 -6.523 4.639 117 HD23 LEU 14 HD23 LEU 14 -6.631 -7.087 3.011 118 H SER 15 HN SER 15 -4.850 -5.450 -1.222 119 HA SER 15 HA SER 15 -2.982 -7.476 -0.537 120 HB2 SER 15 HB2 SER 15 -4.911 -7.866 -2.046 121 HB3 SER 15 HB1 SER 15 -4.178 -6.796 -3.238 122 HG SER 15 HG SER 15 -2.767 -8.297 -3.748 123 H LYS 16 HN LYS 16 -2.893 -4.638 -2.694 124 HA LYS 16 HA LYS 16 -0.160 -5.120 -3.358 125 HB2 LYS 16 HB2 LYS 16 -0.101 -2.842 -4.267 126 HB3 LYS 16 HB1 LYS 16 -1.412 -3.811 -4.922 127 HG2 LYS 16 HG2 LYS 16 -3.005 -2.650 -3.521 128 HG3 LYS 16 HG1 LYS 16 -1.703 -1.731 -2.762 129 HD2 LYS 16 HD2 LYS 16 -2.250 -1.668 -5.722 130 HD3 LYS 16 HD1 LYS 16 -2.984 -0.538 -4.583 131 HE2 LYS 16 HE2 LYS 16 -0.832 0.293 -3.928 132 HE3 LYS 16 HE1 LYS 16 -0.012 -0.943 -4.882 133 HZ1 LYS 16 HZ1 LYS 16 -0.028 1.206 -5.987 134 HZ2 LYS 16 HZ2 LYS 16 -1.720 1.223 -5.981 135 HZ3 LYS 16 HZ3 LYS 16 -0.889 0.060 -6.883 136 H ASN 17 HN ASN 17 -1.774 -3.093 -0.922 137 HA ASN 17 HA ASN 17 0.481 -1.920 0.264 138 HB2 ASN 17 HB2 ASN 17 -2.215 -2.774 1.186 139 HB3 ASN 17 HB1 ASN 17 -1.004 -2.615 2.450 140 HD21 ASN 17 HD21 ASN 17 -3.461 -1.071 1.573 141 HD22 ASN 17 HD22 ASN 17 -2.923 0.572 1.528 142 H TYR 18 HN TYR 18 -0.848 -5.192 0.572 143 HA TYR 18 HA TYR 18 0.949 -6.154 2.508 144 HB2 TYR 18 HB2 TYR 18 -1.033 -7.408 1.892 145 HB3 TYR 18 HB1 TYR 18 -0.453 -7.585 0.241 146 HD1 TYR 18 HD1 TYR 18 0.950 -9.381 -0.361 147 HD2 TYR 18 HD2 TYR 18 0.208 -8.579 3.750 148 HE1 TYR 18 HE1 TYR 18 2.014 -11.512 0.238 149 HE2 TYR 18 HE2 TYR 18 1.273 -10.708 4.361 150 HH TYR 18 HH TYR 18 1.755 -12.896 3.317 151 H HIS 19 HN HIS 19 1.126 -6.336 -1.044 152 HA HIS 19 HA HIS 19 3.693 -7.590 -1.023 153 HB2 HIS 19 HB2 HIS 19 2.043 -6.361 -3.226 154 HB3 HIS 19 HB1 HIS 19 3.614 -7.100 -3.511 155 HD1 HIS 19 HD1 HIS 19 0.124 -7.896 -3.513 156 HD2 HIS 19 HD2 HIS 19 3.609 -9.937 -2.536 157 HE1 HIS 19 HE1 HIS 19 -0.481 -10.334 -3.575 158 HE2 HIS 19 HE2 HIS 19 1.672 -11.551 -3.097 159 H LEU 20 HN LEU 20 2.573 -4.284 -1.376 160 HA LEU 20 HA LEU 20 5.009 -3.180 -2.217 161 HB2 LEU 20 HB2 LEU 20 2.845 -2.105 -2.577 162 HB3 LEU 20 HB1 LEU 20 2.594 -1.966 -0.850 163 HG LEU 20 HG LEU 20 4.325 -0.428 -0.649 164 HD11 LEU 20 HD11 LEU 20 5.811 -1.381 -2.374 165 HD12 LEU 20 HD12 LEU 20 5.658 0.367 -2.473 166 HD13 LEU 20 HD13 LEU 20 4.778 -0.655 -3.603 167 HD21 LEU 20 HD21 LEU 20 3.505 1.432 -2.032 168 HD22 LEU 20 HD22 LEU 20 2.210 0.527 -1.238 169 HD23 LEU 20 HD23 LEU 20 2.542 0.271 -2.951 170 H GLU 21 HN GLU 21 3.581 -3.842 0.937 171 HA GLU 21 HA GLU 21 5.649 -2.643 2.461 172 HB2 GLU 21 HB2 GLU 21 3.231 -3.576 3.122 173 HB3 GLU 21 HB1 GLU 21 4.177 -4.996 3.535 174 HG2 GLU 21 HG2 GLU 21 4.591 -2.220 4.625 175 HG3 GLU 21 HG1 GLU 21 3.812 -3.556 5.465 176 H ASN 22 HN ASN 22 5.116 -5.849 1.097 177 HA ASN 22 HA ASN 22 7.354 -7.157 2.139 178 HB2 ASN 22 HB2 ASN 22 6.050 -7.426 -0.580 179 HB3 ASN 22 HB1 ASN 22 7.314 -8.502 -0.000 180 HD21 ASN 22 HD21 ASN 22 6.365 -8.555 2.729 181 HD22 ASN 22 HD22 ASN 22 4.924 -9.506 2.728 182 H GLU 23 HN GLU 23 7.010 -5.028 -0.659 183 HA GLU 23 HA GLU 23 9.658 -5.213 -1.593 184 HB2 GLU 23 HB2 GLU 23 7.837 -2.805 -1.764 185 HB3 GLU 23 HB1 GLU 23 9.217 -3.149 -2.796 186 HG2 GLU 23 HG2 GLU 23 6.644 -4.703 -2.659 187 HG3 GLU 23 HG1 GLU 23 7.168 -3.636 -3.960 188 H VAL 24 HN VAL 24 8.140 -2.892 0.640 189 HA VAL 24 HA VAL 24 10.420 -1.355 1.157 190 HB VAL 24 HB VAL 24 8.060 -1.916 2.994 191 HG11 VAL 24 HG11 VAL 24 10.178 0.238 3.182 192 HG12 VAL 24 HG12 VAL 24 10.056 -1.164 4.249 193 HG13 VAL 24 HG13 VAL 24 8.779 0.054 4.244 194 HG21 VAL 24 HG21 VAL 24 8.707 0.366 1.146 195 HG22 VAL 24 HG22 VAL 24 7.383 0.347 2.308 196 HG23 VAL 24 HG23 VAL 24 7.400 -0.807 0.975 197 H ALA 25 HN ALA 25 9.146 -4.217 2.834 198 HA ALA 25 HA ALA 25 10.905 -4.213 5.003 199 HB1 ALA 25 HB1 ALA 25 8.857 -5.561 4.916 200 HB2 ALA 25 HB2 ALA 25 10.264 -6.548 5.322 201 HB3 ALA 25 HB3 ALA 25 9.593 -6.594 3.690 202 H ARG 26 HN ARG 26 11.207 -5.772 1.839 203 HA ARG 26 HA ARG 26 13.622 -7.131 2.420 204 HB2 ARG 26 HB2 ARG 26 12.461 -6.273 -0.237 205 HB3 ARG 26 HB1 ARG 26 13.792 -7.407 -0.034 206 HG2 ARG 26 HG2 ARG 26 12.366 -8.973 1.089 207 HG3 ARG 26 HG1 ARG 26 11.034 -7.816 1.100 208 HD2 ARG 26 HD2 ARG 26 11.051 -7.856 -1.378 209 HD3 ARG 26 HD1 ARG 26 12.284 -9.117 -1.313 210 HE ARG 26 HE ARG 26 10.114 -9.927 0.258 211 HH11 ARG 26 HH11 ARG 26 10.860 -9.340 -3.105 212 HH12 ARG 26 HH12 ARG 26 9.717 -10.501 -3.694 213 HH21 ARG 26 HH21 ARG 26 8.601 -11.442 -0.502 214 HH22 ARG 26 HH22 ARG 26 8.417 -11.694 -2.210 215 H LEU 27 HN LEU 27 12.928 -4.043 0.825 216 HA LEU 27 HA LEU 27 15.592 -3.322 0.275 217 HB2 LEU 27 HB2 LEU 27 13.006 -1.880 0.524 218 HB3 LEU 27 HB1 LEU 27 14.472 -0.931 0.582 219 HG LEU 27 HG LEU 27 15.059 -1.474 -1.633 220 HD11 LEU 27 HD11 LEU 27 14.601 -3.874 -1.565 221 HD12 LEU 27 HD12 LEU 27 13.898 -3.118 -2.995 222 HD13 LEU 27 HD13 LEU 27 12.868 -3.545 -1.628 223 HD21 LEU 27 HD21 LEU 27 13.268 0.152 -1.463 224 HD22 LEU 27 HD22 LEU 27 12.070 -1.140 -1.515 225 HD23 LEU 27 HD23 LEU 27 13.090 -0.825 -2.918 226 H LYS 28 HN LYS 28 13.547 -2.830 3.108 227 HA LYS 28 HA LYS 28 15.234 -1.142 4.571 228 HB2 LYS 28 HB2 LYS 28 13.081 -3.086 5.327 229 HB3 LYS 28 HB1 LYS 28 14.055 -2.344 6.587 230 HG2 LYS 28 HG2 LYS 28 12.458 -0.835 4.530 231 HG3 LYS 28 HG1 LYS 28 11.936 -1.167 6.183 232 HD2 LYS 28 HD2 LYS 28 13.879 0.066 7.036 233 HD3 LYS 28 HD1 LYS 28 14.382 0.413 5.382 234 HE2 LYS 28 HE2 LYS 28 12.315 1.657 5.009 235 HE3 LYS 28 HE1 LYS 28 11.792 1.291 6.651 236 HZ1 LYS 28 HZ1 LYS 28 13.620 2.551 7.515 237 HZ2 LYS 28 HZ2 LYS 28 12.776 3.517 6.414 238 HZ3 LYS 28 HZ3 LYS 28 14.246 2.814 5.968 239 H LYS 29 HN LYS 29 15.383 -4.572 4.005 240 HA LYS 29 HA LYS 29 17.161 -5.172 6.162 241 HB2 LYS 29 HB2 LYS 29 15.692 -6.852 5.036 242 HB3 LYS 29 HB1 LYS 29 16.696 -6.717 3.602 243 HG2 LYS 29 HG2 LYS 29 17.336 -8.683 4.796 244 HG3 LYS 29 HG1 LYS 29 18.633 -7.493 4.945 245 HD2 LYS 29 HD2 LYS 29 18.278 -8.552 7.083 246 HD3 LYS 29 HD1 LYS 29 17.746 -6.866 7.173 247 HE2 LYS 29 HE2 LYS 29 16.151 -8.313 8.291 248 HE3 LYS 29 HE1 LYS 29 15.420 -7.604 6.853 249 HZ1 LYS 29 HZ1 LYS 29 16.538 -10.348 7.046 250 HZ2 LYS 29 HZ2 LYS 29 15.823 -9.672 5.674 251 HZ3 LYS 29 HZ3 LYS 29 14.896 -9.953 7.058 252 H LEU 30 HN LEU 30 17.507 -4.267 2.800 253 HA LEU 30 HA LEU 30 20.340 -4.753 2.714 254 HB2 LEU 30 HB2 LEU 30 18.339 -3.616 0.802 255 HB3 LEU 30 HB1 LEU 30 20.051 -3.400 0.499 256 HG LEU 30 HG LEU 30 20.308 -5.890 0.584 257 HD11 LEU 30 HD11 LEU 30 18.321 -7.273 0.305 258 HD12 LEU 30 HD12 LEU 30 17.299 -5.854 0.538 259 HD13 LEU 30 HD13 LEU 30 18.312 -6.437 1.859 260 HD21 LEU 30 HD21 LEU 30 19.387 -6.256 -1.653 261 HD22 LEU 30 HD22 LEU 30 20.190 -4.691 -1.528 262 HD23 LEU 30 HD23 LEU 30 18.430 -4.783 -1.495 263 H VAL 31 HN VAL 31 18.247 -1.887 2.878 264 HA VAL 31 HA VAL 31 20.434 -0.042 3.066 265 HB VAL 31 HB VAL 31 17.561 0.320 3.965 266 HG11 VAL 31 HG11 VAL 31 18.003 2.713 3.747 267 HG12 VAL 31 HG12 VAL 31 19.682 2.369 3.335 268 HG13 VAL 31 HG13 VAL 31 19.070 1.970 4.940 269 HG21 VAL 31 HG21 VAL 31 18.869 0.997 1.334 270 HG22 VAL 31 HG22 VAL 31 17.228 1.439 1.806 271 HG23 VAL 31 HG23 VAL 31 17.662 -0.259 1.610 272 H GLY 32 HN GLY 32 18.713 -2.089 5.205 273 HA2 GLY 32 HA2 GLY 32 19.313 -0.839 7.670 274 HA3 GLY 32 HA1 GLY 32 18.816 -2.509 7.431 275 H GLU 33 HN GLU 33 20.775 -3.688 6.089 276 HA GLU 33 HA GLU 33 23.038 -3.425 7.941 277 HB2 GLU 33 HB2 GLU 33 21.918 -5.754 6.414 278 HB3 GLU 33 HB1 GLU 33 23.582 -5.779 6.973 279 HG2 GLU 33 HG2 GLU 33 22.144 -6.930 8.534 280 HG3 GLU 33 HG1 GLU 33 22.816 -5.480 9.274 281 H1 GLY 1 HT1 GLY 1 -24.179 6.905 0.486 282 H2 GLY 1 HT2 GLY 1 -25.392 7.607 1.430 283 H3 GLY 1 HT3 GLY 1 -25.242 5.928 1.366 284 HA2 GLY 1 HA1 GLY 1 -23.299 7.826 2.556 285 HA3 GLY 1 HA2 GLY 1 -24.360 6.739 3.439 286 H SER 2 HN SER 2 -24.099 4.436 1.893 287 HA SER 2 HA SER 2 -21.898 3.226 3.055 288 HB2 SER 2 HB2 SER 2 -22.346 1.414 1.275 289 HB3 SER 2 HB1 SER 2 -23.661 1.816 2.384 290 HG SER 2 HG SER 2 -24.504 1.791 0.327 291 H MET 3 HN MET 3 -22.237 4.592 -0.194 292 HA MET 3 HA MET 3 -19.869 3.630 -1.298 293 HB2 MET 3 HB2 MET 3 -21.489 6.102 -1.843 294 HB3 MET 3 HB1 MET 3 -20.008 5.769 -2.730 295 HG2 MET 3 HG2 MET 3 -22.387 3.931 -2.593 296 HG3 MET 3 HG1 MET 3 -22.033 5.041 -3.916 297 HE1 MET 3 HE1 MET 3 -21.262 1.491 -5.431 298 HE2 MET 3 HE2 MET 3 -22.220 2.963 -5.589 299 HE3 MET 3 HE3 MET 3 -22.507 1.866 -4.240 300 H LYS 4 HN LYS 4 -20.427 6.655 0.491 301 HA LYS 4 HA LYS 4 -17.726 7.531 0.164 302 HB2 LYS 4 HB2 LYS 4 -20.004 8.488 1.876 303 HB3 LYS 4 HB1 LYS 4 -18.409 9.222 1.944 304 HG2 LYS 4 HG2 LYS 4 -20.086 9.006 -0.543 305 HG3 LYS 4 HG1 LYS 4 -19.995 10.431 0.490 306 HD2 LYS 4 HD2 LYS 4 -17.678 9.166 -0.976 307 HD3 LYS 4 HD1 LYS 4 -18.535 10.626 -1.467 308 HE2 LYS 4 HE2 LYS 4 -16.946 10.256 1.071 309 HE3 LYS 4 HE1 LYS 4 -16.458 11.191 -0.340 310 HZ1 LYS 4 HZ1 LYS 4 -18.769 11.772 1.429 311 HZ2 LYS 4 HZ2 LYS 4 -18.377 12.641 0.035 312 HZ3 LYS 4 HZ3 LYS 4 -17.320 12.640 1.353 313 H GLN 5 HN GLN 5 -19.116 5.281 2.230 314 HA GLN 5 HA GLN 5 -17.199 5.767 4.379 315 HB2 GLN 5 HB2 GLN 5 -19.570 3.898 4.199 316 HB3 GLN 5 HB1 GLN 5 -18.476 3.971 5.575 317 HG2 GLN 5 HG2 GLN 5 -19.104 6.284 5.972 318 HG3 GLN 5 HG1 GLN 5 -20.167 6.248 4.567 319 HE21 GLN 5 HE21 GLN 5 -19.823 3.545 6.734 320 HE22 GLN 5 HE22 GLN 5 -21.397 3.656 7.437 321 H LEU 6 HN LEU 6 -18.291 3.288 2.130 322 HA LEU 6 HA LEU 6 -16.226 1.439 2.726 323 HB2 LEU 6 HB2 LEU 6 -18.206 1.774 0.515 324 HB3 LEU 6 HB1 LEU 6 -16.865 0.682 0.283 325 HG LEU 6 HG LEU 6 -18.961 -0.438 1.006 326 HD11 LEU 6 HD11 LEU 6 -17.948 -1.917 2.574 327 HD12 LEU 6 HD12 LEU 6 -16.778 -0.699 3.063 328 HD13 LEU 6 HD13 LEU 6 -16.701 -1.391 1.444 329 HD21 LEU 6 HD21 LEU 6 -19.681 -0.244 3.333 330 HD22 LEU 6 HD22 LEU 6 -19.836 1.292 2.479 331 HD23 LEU 6 HD23 LEU 6 -18.495 1.034 3.596 332 H GLU 7 HN GLU 7 -16.668 3.894 0.187 333 HA GLU 7 HA GLU 7 -14.157 3.453 -1.034 334 HB2 GLU 7 HB2 GLU 7 -16.056 4.682 -2.086 335 HB3 GLU 7 HB1 GLU 7 -15.736 6.028 -1.003 336 HG2 GLU 7 HG2 GLU 7 -13.548 6.341 -1.977 337 HG3 GLU 7 HG1 GLU 7 -13.777 4.926 -3.004 338 H ASP 8 HN ASP 8 -15.138 5.421 1.755 339 HA ASP 8 HA ASP 8 -12.692 6.800 2.046 340 HB2 ASP 8 HB2 ASP 8 -15.001 6.258 3.749 341 HB3 ASP 8 HB1 ASP 8 -13.489 6.350 4.648 342 H LYS 9 HN LYS 9 -13.595 3.520 2.792 343 HA LYS 9 HA LYS 9 -11.249 2.925 4.325 344 HB2 LYS 9 HB2 LYS 9 -13.065 1.017 2.837 345 HB3 LYS 9 HB1 LYS 9 -11.934 0.601 4.117 346 HG2 LYS 9 HG2 LYS 9 -13.233 1.857 5.719 347 HG3 LYS 9 HG1 LYS 9 -14.336 2.382 4.445 348 HD2 LYS 9 HD2 LYS 9 -14.896 -0.003 4.028 349 HD3 LYS 9 HD1 LYS 9 -13.896 -0.438 5.415 350 HE2 LYS 9 HE2 LYS 9 -16.337 1.329 5.463 351 HE3 LYS 9 HE1 LYS 9 -16.245 -0.333 6.039 352 HZ1 LYS 9 HZ1 LYS 9 -16.078 1.250 7.854 353 HZ2 LYS 9 HZ2 LYS 9 -14.721 1.959 7.145 354 HZ3 LYS 9 HZ3 LYS 9 -14.645 0.369 7.701 355 H VAL 10 HN VAL 10 -12.252 2.507 0.967 356 HA VAL 10 HA VAL 10 -10.037 1.068 0.033 357 HB VAL 10 HB VAL 10 -11.499 3.111 -1.626 358 HG11 VAL 10 HG11 VAL 10 -9.593 2.073 -2.685 359 HG12 VAL 10 HG12 VAL 10 -11.085 1.506 -3.436 360 HG13 VAL 10 HG13 VAL 10 -10.223 0.472 -2.294 361 HG21 VAL 10 HG21 VAL 10 -13.123 1.700 -0.362 362 HG22 VAL 10 HG22 VAL 10 -12.431 0.292 -1.168 363 HG23 VAL 10 HG23 VAL 10 -13.225 1.547 -2.114 364 H GLU 11 HN GLU 11 -10.687 4.568 -0.155 365 HA GLU 11 HA GLU 11 -8.156 5.180 -1.296 366 HB2 GLU 11 HB2 GLU 11 -10.193 6.579 -1.568 367 HB3 GLU 11 HB1 GLU 11 -10.091 7.027 0.129 368 HG2 GLU 11 HG2 GLU 11 -7.950 8.102 -0.262 369 HG3 GLU 11 HG1 GLU 11 -8.003 7.619 -1.956 370 H GLU 12 HN GLU 12 -9.185 4.655 1.958 371 HA GLU 12 HA GLU 12 -7.126 6.085 3.288 372 HB2 GLU 12 HB2 GLU 12 -9.129 5.235 4.464 373 HB3 GLU 12 HB1 GLU 12 -8.592 3.586 4.169 374 HG2 GLU 12 HG2 GLU 12 -6.591 4.003 5.516 375 HG3 GLU 12 HG1 GLU 12 -7.156 5.643 5.831 376 H LEU 13 HN LEU 13 -7.457 2.728 2.195 377 HA LEU 13 HA LEU 13 -4.791 2.001 2.857 378 HB2 LEU 13 HB2 LEU 13 -6.746 0.769 0.921 379 HB3 LEU 13 HB1 LEU 13 -5.208 0.053 1.368 380 HG LEU 13 HG LEU 13 -7.540 0.560 3.218 381 HD11 LEU 13 HD11 LEU 13 -6.321 -2.002 2.211 382 HD12 LEU 13 HD12 LEU 13 -7.854 -1.312 1.680 383 HD13 LEU 13 HD13 LEU 13 -7.664 -1.860 3.346 384 HD21 LEU 13 HD21 LEU 13 -4.829 -0.642 3.774 385 HD22 LEU 13 HD22 LEU 13 -6.196 -0.648 4.891 386 HD23 LEU 13 HD23 LEU 13 -5.455 0.879 4.411 387 H LEU 14 HN LEU 14 -6.307 3.547 0.164 388 HA LEU 14 HA LEU 14 -4.208 3.348 -1.722 389 HB2 LEU 14 HB2 LEU 14 -6.623 4.135 -2.061 390 HB3 LEU 14 HB1 LEU 14 -6.098 5.673 -1.412 391 HG LEU 14 HG LEU 14 -4.392 5.778 -3.263 392 HD11 LEU 14 HD11 LEU 14 -4.761 4.378 -5.217 393 HD12 LEU 14 HD12 LEU 14 -6.034 3.505 -4.362 394 HD13 LEU 14 HD13 LEU 14 -4.360 3.394 -3.809 395 HD21 LEU 14 HD21 LEU 14 -7.305 5.682 -4.035 396 HD22 LEU 14 HD22 LEU 14 -6.025 6.482 -4.947 397 HD23 LEU 14 HD23 LEU 14 -6.455 7.062 -3.339 398 H SER 15 HN SER 15 -4.858 5.443 0.972 399 HA SER 15 HA SER 15 -2.951 7.454 0.347 400 HB2 SER 15 HB2 SER 15 -4.949 7.858 1.768 401 HB3 SER 15 HB1 SER 15 -4.259 6.808 3.003 402 HG SER 15 HG SER 15 -2.846 8.315 3.530 403 H LYS 16 HN LYS 16 -2.969 4.635 2.534 404 HA LYS 16 HA LYS 16 -0.262 5.107 3.299 405 HB2 LYS 16 HB2 LYS 16 -0.253 2.838 4.232 406 HB3 LYS 16 HB1 LYS 16 -1.583 3.821 4.824 407 HG2 LYS 16 HG2 LYS 16 -3.126 2.656 3.373 408 HG3 LYS 16 HG1 LYS 16 -1.801 1.724 2.672 409 HD2 LYS 16 HD2 LYS 16 -2.464 1.685 5.609 410 HD3 LYS 16 HD1 LYS 16 -3.159 0.549 4.451 411 HE2 LYS 16 HE2 LYS 16 -0.995 -0.306 3.893 412 HE3 LYS 16 HE1 LYS 16 -0.198 0.940 4.855 413 HZ1 LYS 16 HZ1 LYS 16 -0.272 -1.184 6.002 414 HZ2 LYS 16 HZ2 LYS 16 -1.956 -1.196 5.917 415 HZ3 LYS 16 HZ3 LYS 16 -1.166 -0.022 6.838 416 H ASN 17 HN ASN 17 -1.789 3.076 0.815 417 HA ASN 17 HA ASN 17 0.504 1.875 -0.271 418 HB2 ASN 17 HB2 ASN 17 -2.147 2.738 -1.306 419 HB3 ASN 17 HB1 ASN 17 -0.886 2.563 -2.520 420 HD21 ASN 17 HD21 ASN 17 -3.385 1.039 -1.724 421 HD22 ASN 17 HD22 ASN 17 -2.859 -0.606 -1.646 422 H TYR 18 HN TYR 18 -0.788 5.153 -0.654 423 HA TYR 18 HA TYR 18 1.090 6.088 -2.526 424 HB2 TYR 18 HB2 TYR 18 -0.907 7.357 -2.000 425 HB3 TYR 18 HB1 TYR 18 -0.393 7.545 -0.328 426 HD1 TYR 18 HD1 TYR 18 0.996 9.336 0.317 427 HD2 TYR 18 HD2 TYR 18 0.417 8.508 -3.816 428 HE1 TYR 18 HE1 TYR 18 2.098 11.455 -0.256 429 HE2 TYR 18 HE2 TYR 18 1.522 10.625 -4.401 430 HH TYR 18 HH TYR 18 1.961 12.820 -3.349 431 H HIS 19 HN HIS 19 1.129 6.283 1.025 432 HA HIS 19 HA HIS 19 3.700 7.536 1.097 433 HB2 HIS 19 HB2 HIS 19 1.957 6.332 3.243 434 HB3 HIS 19 HB1 HIS 19 3.521 7.064 3.583 435 HD1 HIS 19 HD1 HIS 19 0.033 7.880 3.446 436 HD2 HIS 19 HD2 HIS 19 3.571 9.893 2.593 437 HE1 HIS 19 HE1 HIS 19 -0.554 10.323 3.474 438 HE2 HIS 19 HE2 HIS 19 1.614 11.526 3.031 439 H LEU 20 HN LEU 20 2.546 4.238 1.441 440 HA LEU 20 HA LEU 20 4.940 3.128 2.385 441 HB2 LEU 20 HB2 LEU 20 2.760 2.066 2.676 442 HB3 LEU 20 HB1 LEU 20 2.568 1.918 0.941 443 HG LEU 20 HG LEU 20 4.298 0.365 0.811 444 HD11 LEU 20 HD11 LEU 20 5.724 1.311 2.588 445 HD12 LEU 20 HD12 LEU 20 5.547 -0.436 2.695 446 HD13 LEU 20 HD13 LEU 20 4.634 0.607 3.781 447 HD21 LEU 20 HD21 LEU 20 3.409 -1.479 2.176 448 HD22 LEU 20 HD22 LEU 20 2.154 -0.573 1.321 449 HD23 LEU 20 HD23 LEU 20 2.422 -0.302 3.045 450 H GLU 21 HN GLU 21 3.642 3.764 -0.833 451 HA GLU 21 HA GLU 21 5.767 2.548 -2.264 452 HB2 GLU 21 HB2 GLU 21 3.379 3.480 -3.025 453 HB3 GLU 21 HB1 GLU 21 4.346 4.894 -3.409 454 HG2 GLU 21 HG2 GLU 21 4.789 2.112 -4.470 455 HG3 GLU 21 HG1 GLU 21 4.050 3.448 -5.346 456 H ASN 22 HN ASN 22 5.198 5.760 -0.935 457 HA ASN 22 HA ASN 22 7.478 7.054 -1.907 458 HB2 ASN 22 HB2 ASN 22 6.075 7.353 0.760 459 HB3 ASN 22 HB1 ASN 22 7.367 8.415 0.220 460 HD21 ASN 22 HD21 ASN 22 6.531 8.462 -2.540 461 HD22 ASN 22 HD22 ASN 22 5.098 9.425 -2.600 462 H GLU 23 HN GLU 23 7.012 4.949 0.893 463 HA GLU 23 HA GLU 23 9.622 5.125 1.930 464 HB2 GLU 23 HB2 GLU 23 7.783 2.728 2.045 465 HB3 GLU 23 HB1 GLU 23 9.120 3.076 3.132 466 HG2 GLU 23 HG2 GLU 23 6.562 4.635 2.871 467 HG3 GLU 23 HG1 GLU 23 7.030 3.582 4.204 468 H VAL 24 HN VAL 24 8.181 2.796 -0.344 469 HA VAL 24 HA VAL 24 10.470 1.243 -0.758 470 HB VAL 24 HB VAL 24 8.189 1.803 -2.693 471 HG11 VAL 24 HG11 VAL 24 10.296 -0.368 -2.780 472 HG12 VAL 24 HG12 VAL 24 10.227 1.027 -3.863 473 HG13 VAL 24 HG13 VAL 24 8.942 -0.182 -3.898 474 HG21 VAL 24 HG21 VAL 24 8.744 -0.467 -0.801 475 HG22 VAL 24 HG22 VAL 24 7.470 -0.451 -2.016 476 HG23 VAL 24 HG23 VAL 24 7.440 0.716 -0.694 477 H ALA 25 HN ALA 25 9.284 4.099 -2.505 478 HA ALA 25 HA ALA 25 11.128 4.068 -4.605 479 HB1 ALA 25 HB1 ALA 25 9.085 5.425 -4.610 480 HB2 ALA 25 HB2 ALA 25 10.512 6.403 -4.966 481 HB3 ALA 25 HB3 ALA 25 9.776 6.466 -3.365 482 H ARG 26 HN ARG 26 11.312 5.640 -1.439 483 HA ARG 26 HA ARG 26 13.756 6.987 -1.932 484 HB2 ARG 26 HB2 ARG 26 12.484 6.156 0.682 485 HB3 ARG 26 HB1 ARG 26 13.829 7.281 0.525 486 HG2 ARG 26 HG2 ARG 26 12.460 8.843 -0.669 487 HG3 ARG 26 HG1 ARG 26 11.124 7.695 -0.726 488 HD2 ARG 26 HD2 ARG 26 11.035 7.757 1.750 489 HD3 ARG 26 HD1 ARG 26 12.278 9.007 1.729 490 HE ARG 26 HE ARG 26 10.181 9.814 0.060 491 HH11 ARG 26 HH11 ARG 26 10.794 9.254 3.458 492 HH12 ARG 26 HH12 ARG 26 9.637 10.430 3.995 493 HH21 ARG 26 HH21 ARG 26 8.648 11.348 0.751 494 HH22 ARG 26 HH22 ARG 26 8.408 11.619 2.448 495 H LEU 27 HN LEU 27 12.977 3.914 -0.352 496 HA LEU 27 HA LEU 27 15.612 3.183 0.319 497 HB2 LEU 27 HB2 LEU 27 13.027 1.758 -0.019 498 HB3 LEU 27 HB1 LEU 27 14.486 0.795 -0.016 499 HG LEU 27 HG LEU 27 14.992 1.350 2.217 500 HD11 LEU 27 HD11 LEU 27 14.557 3.754 2.117 501 HD12 LEU 27 HD12 LEU 27 13.796 3.009 3.523 502 HD13 LEU 27 HD13 LEU 27 12.820 3.436 2.116 503 HD21 LEU 27 HD21 LEU 27 13.199 -0.265 1.989 504 HD22 LEU 27 HD22 LEU 27 12.008 1.036 1.983 505 HD23 LEU 27 HD23 LEU 27 12.968 0.725 3.427 506 H LYS 28 HN LYS 28 13.679 2.679 -2.589 507 HA LYS 28 HA LYS 28 15.413 0.973 -3.972 508 HB2 LYS 28 HB2 LYS 28 13.306 2.923 -4.826 509 HB3 LYS 28 HB1 LYS 28 14.322 2.163 -6.040 510 HG2 LYS 28 HG2 LYS 28 12.632 0.683 -4.037 511 HG3 LYS 28 HG1 LYS 28 12.181 1.004 -5.711 512 HD2 LYS 28 HD2 LYS 28 14.148 -0.244 -6.475 513 HD3 LYS 28 HD1 LYS 28 14.578 -0.584 -4.800 514 HE2 LYS 28 HE2 LYS 28 12.494 -1.815 -4.508 515 HE3 LYS 28 HE1 LYS 28 12.040 -1.452 -6.172 516 HZ1 LYS 28 HZ1 LYS 28 13.906 -2.718 -6.957 517 HZ2 LYS 28 HZ2 LYS 28 13.001 -3.681 -5.904 518 HZ3 LYS 28 HZ3 LYS 28 14.452 -2.990 -5.382 519 H LYS 29 HN LYS 29 15.560 4.406 -3.432 520 HA LYS 29 HA LYS 29 17.428 4.974 -5.517 521 HB2 LYS 29 HB2 LYS 29 15.928 6.673 -4.459 522 HB3 LYS 29 HB1 LYS 29 16.877 6.541 -2.988 523 HG2 LYS 29 HG2 LYS 29 17.572 8.494 -4.171 524 HG3 LYS 29 HG1 LYS 29 18.869 7.297 -4.258 525 HD2 LYS 29 HD2 LYS 29 18.602 8.343 -6.416 526 HD3 LYS 29 HD1 LYS 29 18.070 6.659 -6.516 527 HE2 LYS 29 HE2 LYS 29 16.525 8.103 -7.705 528 HE3 LYS 29 HE1 LYS 29 15.737 7.403 -6.294 529 HZ1 LYS 29 HZ1 LYS 29 16.868 10.143 -6.454 530 HZ2 LYS 29 HZ2 LYS 29 16.089 9.477 -5.111 531 HZ3 LYS 29 HZ3 LYS 29 15.226 9.751 -6.536 532 H LEU 30 HN LEU 30 17.637 4.106 -2.133 533 HA LEU 30 HA LEU 30 20.464 4.566 -1.936 534 HB2 LEU 30 HB2 LEU 30 18.376 3.460 -0.102 535 HB3 LEU 30 HB1 LEU 30 20.070 3.229 0.272 536 HG LEU 30 HG LEU 30 20.354 5.717 0.179 537 HD11 LEU 30 HD11 LEU 30 18.372 7.119 0.366 538 HD12 LEU 30 HD12 LEU 30 17.346 5.708 0.104 539 HD13 LEU 30 HD13 LEU 30 18.419 6.270 -1.179 540 HD21 LEU 30 HD21 LEU 30 19.350 6.110 2.374 541 HD22 LEU 30 HD22 LEU 30 20.145 4.538 2.295 542 HD23 LEU 30 HD23 LEU 30 18.388 4.644 2.192 543 H VAL 31 HN VAL 31 18.362 1.713 -2.168 544 HA VAL 31 HA VAL 31 20.541 -0.144 -2.248 545 HB VAL 31 HB VAL 31 17.705 -0.499 -3.261 546 HG11 VAL 31 HG11 VAL 31 18.126 -2.895 -3.012 547 HG12 VAL 31 HG12 VAL 31 19.791 -2.555 -2.538 548 HG13 VAL 31 HG13 VAL 31 19.240 -2.165 -4.167 549 HG21 VAL 31 HG21 VAL 31 18.901 -1.167 -0.575 550 HG22 VAL 31 HG22 VAL 31 17.278 -1.601 -1.109 551 HG23 VAL 31 HG23 VAL 31 17.716 0.095 -0.907 552 H GLY 32 HN GLY 32 18.916 1.892 -4.474 553 HA2 GLY 32 HA2 GLY 32 19.611 0.620 -6.902 554 HA3 GLY 32 HA1 GLY 32 19.119 2.297 -6.698 555 H GLU 33 HN GLU 33 21.016 3.485 -5.299 556 HA GLU 33 HA GLU 33 23.362 3.180 -7.039 557 HB2 GLU 33 HB2 GLU 33 22.198 5.530 -5.578 558 HB3 GLU 33 HB1 GLU 33 23.883 5.537 -6.072 559 HG2 GLU 33 HG2 GLU 33 22.519 6.687 -7.698 560 HG3 GLU 33 HG1 GLU 33 23.207 5.226 -8.398 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 -24.324 -6.630 -6.484 2 H2 GLY 1 HT2 GLY 1 -22.710 -6.277 -6.114 3 H3 GLY 1 HT3 GLY 1 -23.573 -5.286 -7.179 4 HA2 GLY 1 HA1 GLY 1 -25.052 -4.597 -5.412 5 HA3 GLY 1 HA2 GLY 1 -24.175 -5.637 -4.300 6 H SER 2 HN SER 2 -23.208 -4.253 -2.937 7 HA SER 2 HA SER 2 -21.311 -2.354 -4.110 8 HB2 SER 2 HB2 SER 2 -21.973 -0.794 -2.143 9 HB3 SER 2 HB1 SER 2 -23.020 -0.853 -3.561 10 HG SER 2 HG SER 2 -23.433 -1.880 -0.981 11 H MET 3 HN MET 3 -22.296 -4.344 -1.413 12 HA MET 3 HA MET 3 -20.368 -3.620 0.458 13 HB2 MET 3 HB2 MET 3 -22.332 -4.963 1.015 14 HB3 MET 3 HB1 MET 3 -21.712 -6.295 0.053 15 HG2 MET 3 HG2 MET 3 -21.102 -6.999 2.120 16 HG3 MET 3 HG1 MET 3 -19.661 -6.088 1.685 17 HE1 MET 3 HE1 MET 3 -19.900 -2.888 3.834 18 HE2 MET 3 HE2 MET 3 -20.573 -2.961 2.210 19 HE3 MET 3 HE3 MET 3 -19.047 -3.772 2.567 20 H LYS 4 HN LYS 4 -20.279 -6.473 -1.708 21 HA LYS 4 HA LYS 4 -17.503 -6.889 -0.984 22 HB2 LYS 4 HB2 LYS 4 -17.630 -8.946 -2.246 23 HB3 LYS 4 HB1 LYS 4 -19.028 -8.818 -1.191 24 HG2 LYS 4 HG2 LYS 4 -20.457 -8.285 -3.001 25 HG3 LYS 4 HG1 LYS 4 -19.093 -8.046 -4.093 26 HD2 LYS 4 HD2 LYS 4 -20.063 -10.169 -4.594 27 HD3 LYS 4 HD1 LYS 4 -18.526 -10.461 -3.785 28 HE2 LYS 4 HE2 LYS 4 -20.177 -11.971 -2.906 29 HE3 LYS 4 HE1 LYS 4 -19.755 -10.796 -1.664 30 HZ1 LYS 4 HZ1 LYS 4 -22.163 -10.659 -3.397 31 HZ2 LYS 4 HZ2 LYS 4 -21.767 -9.584 -2.155 32 HZ3 LYS 4 HZ3 LYS 4 -22.144 -11.189 -1.792 33 H GLN 5 HN GLN 5 -19.038 -5.004 -3.188 34 HA GLN 5 HA GLN 5 -17.211 -5.365 -5.408 35 HB2 GLN 5 HB2 GLN 5 -19.654 -3.735 -4.904 36 HB3 GLN 5 HB1 GLN 5 -18.499 -3.108 -6.067 37 HG2 GLN 5 HG2 GLN 5 -20.317 -4.408 -7.094 38 HG3 GLN 5 HG1 GLN 5 -18.717 -5.063 -7.431 39 HE21 GLN 5 HE21 GLN 5 -18.153 -7.049 -6.637 40 HE22 GLN 5 HE22 GLN 5 -19.295 -8.129 -5.912 41 H LEU 6 HN LEU 6 -18.061 -2.863 -3.068 42 HA LEU 6 HA LEU 6 -15.835 -1.201 -3.607 43 HB2 LEU 6 HB2 LEU 6 -17.802 -1.453 -1.364 44 HB3 LEU 6 HB1 LEU 6 -16.362 -0.491 -1.123 45 HG LEU 6 HG LEU 6 -18.399 0.812 -1.758 46 HD11 LEU 6 HD11 LEU 6 -17.259 2.290 -3.266 47 HD12 LEU 6 HD12 LEU 6 -16.151 1.014 -3.757 48 HD13 LEU 6 HD13 LEU 6 -16.093 1.645 -2.111 49 HD21 LEU 6 HD21 LEU 6 -19.374 -0.769 -3.341 50 HD22 LEU 6 HD22 LEU 6 -18.013 -0.523 -4.436 51 HD23 LEU 6 HD23 LEU 6 -19.117 0.807 -4.090 52 H GLU 7 HN GLU 7 -16.516 -3.736 -1.232 53 HA GLU 7 HA GLU 7 -14.047 -3.681 0.089 54 HB2 GLU 7 HB2 GLU 7 -16.039 -4.914 0.897 55 HB3 GLU 7 HB1 GLU 7 -15.810 -6.085 -0.392 56 HG2 GLU 7 HG2 GLU 7 -13.655 -6.715 0.540 57 HG3 GLU 7 HG1 GLU 7 -13.851 -5.519 1.817 58 H ASP 8 HN ASP 8 -15.042 -5.259 -2.927 59 HA ASP 8 HA ASP 8 -12.748 -6.821 -3.336 60 HB2 ASP 8 HB2 ASP 8 -14.823 -5.680 -5.083 61 HB3 ASP 8 HB1 ASP 8 -13.278 -5.964 -5.877 62 H LYS 9 HN LYS 9 -13.339 -3.418 -4.051 63 HA LYS 9 HA LYS 9 -10.811 -2.960 -5.263 64 HB2 LYS 9 HB2 LYS 9 -12.719 -1.510 -5.717 65 HB3 LYS 9 HB1 LYS 9 -12.787 -1.031 -4.029 66 HG2 LYS 9 HG2 LYS 9 -10.638 0.076 -4.228 67 HG3 LYS 9 HG1 LYS 9 -10.497 -0.455 -5.903 68 HD2 LYS 9 HD2 LYS 9 -12.713 1.304 -4.860 69 HD3 LYS 9 HD1 LYS 9 -11.252 1.907 -5.644 70 HE2 LYS 9 HE2 LYS 9 -11.837 0.553 -7.645 71 HE3 LYS 9 HE1 LYS 9 -13.349 0.109 -6.857 72 HZ1 LYS 9 HZ1 LYS 9 -13.624 1.957 -8.398 73 HZ2 LYS 9 HZ2 LYS 9 -12.515 2.878 -7.521 74 HZ3 LYS 9 HZ3 LYS 9 -13.983 2.425 -6.816 75 H VAL 10 HN VAL 10 -12.066 -2.576 -1.979 76 HA VAL 10 HA VAL 10 -9.841 -1.310 -0.828 77 HB VAL 10 HB VAL 10 -11.492 -3.370 0.623 78 HG11 VAL 10 HG11 VAL 10 -9.572 -2.467 1.816 79 HG12 VAL 10 HG12 VAL 10 -11.084 -1.942 2.556 80 HG13 VAL 10 HG13 VAL 10 -10.168 -0.827 1.539 81 HG21 VAL 10 HG21 VAL 10 -12.896 -1.674 -0.677 82 HG22 VAL 10 HG22 VAL 10 -12.273 -0.490 0.477 83 HG23 VAL 10 HG23 VAL 10 -13.214 -1.864 1.046 84 H GLU 11 HN GLU 11 -10.645 -4.756 -1.111 85 HA GLU 11 HA GLU 11 -8.348 -5.759 0.180 86 HB2 GLU 11 HB2 GLU 11 -10.308 -7.137 -0.115 87 HB3 GLU 11 HB1 GLU 11 -10.228 -6.979 -1.861 88 HG2 GLU 11 HG2 GLU 11 -9.483 -9.157 -1.288 89 HG3 GLU 11 HG1 GLU 11 -8.079 -8.231 -1.811 90 H GLU 12 HN GLU 12 -8.923 -4.783 -3.155 91 HA GLU 12 HA GLU 12 -6.596 -5.937 -4.274 92 HB2 GLU 12 HB2 GLU 12 -8.278 -3.581 -5.121 93 HB3 GLU 12 HB1 GLU 12 -6.904 -4.156 -6.056 94 HG2 GLU 12 HG2 GLU 12 -7.973 -6.325 -6.315 95 HG3 GLU 12 HG1 GLU 12 -9.341 -5.774 -5.352 96 H LEU 13 HN LEU 13 -7.264 -2.740 -2.891 97 HA LEU 13 HA LEU 13 -4.587 -1.810 -3.162 98 HB2 LEU 13 HB2 LEU 13 -6.764 -0.940 -1.263 99 HB3 LEU 13 HB1 LEU 13 -5.243 -0.098 -1.495 100 HG LEU 13 HG LEU 13 -7.463 -0.425 -3.507 101 HD11 LEU 13 HD11 LEU 13 -6.266 2.007 -2.195 102 HD12 LEU 13 HD12 LEU 13 -7.812 1.269 -1.780 103 HD13 LEU 13 HD13 LEU 13 -7.581 1.993 -3.371 104 HD21 LEU 13 HD21 LEU 13 -5.354 -0.630 -4.669 105 HD22 LEU 13 HD22 LEU 13 -4.728 0.799 -3.847 106 HD23 LEU 13 HD23 LEU 13 -6.059 0.953 -4.994 107 H LEU 14 HN LEU 14 -6.323 -3.663 -0.781 108 HA LEU 14 HA LEU 14 -4.423 -3.630 1.297 109 HB2 LEU 14 HB2 LEU 14 -6.862 -4.593 1.163 110 HB3 LEU 14 HB1 LEU 14 -6.054 -6.055 0.644 111 HG LEU 14 HG LEU 14 -4.689 -5.941 2.771 112 HD11 LEU 14 HD11 LEU 14 -5.080 -3.586 3.286 113 HD12 LEU 14 HD12 LEU 14 -5.609 -4.631 4.604 114 HD13 LEU 14 HD13 LEU 14 -6.799 -3.926 3.511 115 HD21 LEU 14 HD21 LEU 14 -6.549 -7.493 2.480 116 HD22 LEU 14 HD22 LEU 14 -7.676 -6.252 3.030 117 HD23 LEU 14 HD23 LEU 14 -6.466 -6.898 4.139 118 H SER 15 HN SER 15 -4.668 -5.380 -1.680 119 HA SER 15 HA SER 15 -2.670 -7.329 -1.106 120 HB2 SER 15 HB2 SER 15 -3.787 -6.435 -3.776 121 HB3 SER 15 HB1 SER 15 -2.860 -7.907 -3.478 122 HG SER 15 HG SER 15 -5.411 -7.251 -2.399 123 H LYS 16 HN LYS 16 -2.749 -4.217 -2.829 124 HA LYS 16 HA LYS 16 0.025 -4.286 -3.450 125 HB2 LYS 16 HB2 LYS 16 -1.821 -1.899 -3.207 126 HB3 LYS 16 HB1 LYS 16 -0.169 -1.842 -3.812 127 HG2 LYS 16 HG2 LYS 16 -0.950 -3.573 -5.532 128 HG3 LYS 16 HG1 LYS 16 -2.583 -3.114 -5.048 129 HD2 LYS 16 HD2 LYS 16 -0.471 -1.225 -6.089 130 HD3 LYS 16 HD1 LYS 16 -1.802 -1.884 -7.036 131 HE2 LYS 16 HE2 LYS 16 -3.387 -0.805 -5.460 132 HE3 LYS 16 HE1 LYS 16 -2.014 -0.061 -4.637 133 HZ1 LYS 16 HZ1 LYS 16 -2.979 1.462 -6.211 134 HZ2 LYS 16 HZ2 LYS 16 -2.783 0.355 -7.471 135 HZ3 LYS 16 HZ3 LYS 16 -1.428 1.029 -6.723 136 H ASN 17 HN ASN 17 -1.866 -3.147 -0.704 137 HA ASN 17 HA ASN 17 0.204 -1.967 0.774 138 HB2 ASN 17 HB2 ASN 17 -2.417 -3.198 1.432 139 HB3 ASN 17 HB1 ASN 17 -1.256 -3.079 2.749 140 HD21 ASN 17 HD21 ASN 17 -3.276 -1.339 0.546 141 HD22 ASN 17 HD22 ASN 17 -3.110 0.207 1.305 142 H TYR 18 HN TYR 18 -0.784 -5.332 0.369 143 HA TYR 18 HA TYR 18 1.089 -6.434 2.182 144 HB2 TYR 18 HB2 TYR 18 -0.753 -7.766 1.316 145 HB3 TYR 18 HB1 TYR 18 -0.133 -7.613 -0.324 146 HD1 TYR 18 HD1 TYR 18 1.516 -9.095 -1.144 147 HD2 TYR 18 HD2 TYR 18 0.562 -9.089 3.001 148 HE1 TYR 18 HE1 TYR 18 2.823 -11.153 -0.849 149 HE2 TYR 18 HE2 TYR 18 1.871 -11.150 3.310 150 HH TYR 18 HH TYR 18 2.669 -13.039 1.984 151 H HIS 19 HN HIS 19 1.267 -5.884 -1.326 152 HA HIS 19 HA HIS 19 3.862 -6.932 -1.663 153 HB2 HIS 19 HB2 HIS 19 2.165 -5.085 -3.321 154 HB3 HIS 19 HB1 HIS 19 3.808 -5.487 -3.805 155 HD1 HIS 19 HD1 HIS 19 3.711 -7.197 -5.578 156 HD2 HIS 19 HD2 HIS 19 0.820 -7.848 -2.665 157 HE1 HIS 19 HE1 HIS 19 2.524 -9.304 -6.263 158 HE2 HIS 19 HE2 HIS 19 0.686 -9.593 -4.565 159 H LEU 20 HN LEU 20 2.795 -3.541 -1.469 160 HA LEU 20 HA LEU 20 5.312 -2.352 -1.742 161 HB2 LEU 20 HB2 LEU 20 3.029 -1.286 -0.090 162 HB3 LEU 20 HB1 LEU 20 4.316 -0.345 -0.806 163 HG LEU 20 HG LEU 20 2.033 -1.693 -2.152 164 HD11 LEU 20 HD11 LEU 20 1.567 0.573 -2.976 165 HD12 LEU 20 HD12 LEU 20 2.909 1.163 -1.996 166 HD13 LEU 20 HD13 LEU 20 1.504 0.436 -1.219 167 HD21 LEU 20 HD21 LEU 20 4.426 -0.414 -3.457 168 HD22 LEU 20 HD22 LEU 20 2.954 -0.900 -4.298 169 HD23 LEU 20 HD23 LEU 20 3.975 -2.118 -3.536 170 H GLU 21 HN GLU 21 3.424 -2.961 1.190 171 HA GLU 21 HA GLU 21 5.305 -1.946 2.993 172 HB2 GLU 21 HB2 GLU 21 2.801 -2.723 3.322 173 HB3 GLU 21 HB1 GLU 21 3.565 -4.223 3.830 174 HG2 GLU 21 HG2 GLU 21 4.861 -2.959 5.501 175 HG3 GLU 21 HG1 GLU 21 4.001 -1.496 5.020 176 H ASN 22 HN ASN 22 4.931 -5.231 1.710 177 HA ASN 22 HA ASN 22 7.001 -6.347 3.322 178 HB2 ASN 22 HB2 ASN 22 5.575 -7.269 0.845 179 HB3 ASN 22 HB1 ASN 22 6.977 -8.147 1.449 180 HD21 ASN 22 HD21 ASN 22 5.721 -9.966 1.880 181 HD22 ASN 22 HD22 ASN 22 4.637 -10.030 3.225 182 H GLU 23 HN GLU 23 6.900 -4.780 0.169 183 HA GLU 23 HA GLU 23 9.597 -5.388 -0.523 184 HB2 GLU 23 HB2 GLU 23 7.470 -3.653 -1.576 185 HB3 GLU 23 HB1 GLU 23 9.099 -3.053 -1.851 186 HG2 GLU 23 HG2 GLU 23 8.357 -4.360 -3.736 187 HG3 GLU 23 HG1 GLU 23 9.695 -5.167 -2.927 188 H VAL 24 HN VAL 24 8.063 -2.651 1.128 189 HA VAL 24 HA VAL 24 10.325 -1.029 1.416 190 HB VAL 24 HB VAL 24 8.114 -1.347 3.465 191 HG11 VAL 24 HG11 VAL 24 10.050 -0.143 4.308 192 HG12 VAL 24 HG12 VAL 24 8.689 0.956 4.082 193 HG13 VAL 24 HG13 VAL 24 10.007 0.933 2.910 194 HG21 VAL 24 HG21 VAL 24 7.011 0.526 2.354 195 HG22 VAL 24 HG22 VAL 24 7.177 -0.852 1.265 196 HG23 VAL 24 HG23 VAL 24 8.260 0.530 1.109 197 H ALA 25 HN ALA 25 9.041 -3.568 3.536 198 HA ALA 25 HA ALA 25 10.971 -3.365 5.560 199 HB1 ALA 25 HB1 ALA 25 8.860 -4.568 5.842 200 HB2 ALA 25 HB2 ALA 25 10.234 -5.600 6.240 201 HB3 ALA 25 HB3 ALA 25 9.399 -5.796 4.698 202 H ARG 26 HN ARG 26 10.885 -5.320 2.614 203 HA ARG 26 HA ARG 26 13.227 -6.807 3.105 204 HB2 ARG 26 HB2 ARG 26 11.464 -7.311 1.381 205 HB3 ARG 26 HB1 ARG 26 12.106 -5.995 0.412 206 HG2 ARG 26 HG2 ARG 26 13.890 -8.232 1.280 207 HG3 ARG 26 HG1 ARG 26 12.814 -8.429 -0.102 208 HD2 ARG 26 HD2 ARG 26 13.829 -6.477 -1.167 209 HD3 ARG 26 HD1 ARG 26 14.896 -6.271 0.221 210 HE ARG 26 HE ARG 26 15.494 -8.756 -0.517 211 HH11 ARG 26 HH11 ARG 26 15.073 -5.875 -2.447 212 HH12 ARG 26 HH12 ARG 26 16.240 -6.339 -3.641 213 HH21 ARG 26 HH21 ARG 26 17.028 -9.394 -2.100 214 HH22 ARG 26 HH22 ARG 26 17.345 -8.349 -3.448 215 H LEU 27 HN LEU 27 12.706 -3.853 1.181 216 HA LEU 27 HA LEU 27 15.397 -3.416 0.498 217 HB2 LEU 27 HB2 LEU 27 12.938 -1.749 0.594 218 HB3 LEU 27 HB1 LEU 27 14.470 -0.923 0.520 219 HG LEU 27 HG LEU 27 14.974 -1.761 -1.616 220 HD11 LEU 27 HD11 LEU 27 13.684 -3.488 -2.752 221 HD12 LEU 27 HD12 LEU 27 12.667 -3.680 -1.323 222 HD13 LEU 27 HD13 LEU 27 14.379 -4.101 -1.252 223 HD21 LEU 27 HD21 LEU 27 13.303 -0.019 -1.661 224 HD22 LEU 27 HD22 LEU 27 12.019 -1.217 -1.510 225 HD23 LEU 27 HD23 LEU 27 13.016 -1.172 -2.964 226 H LYS 28 HN LYS 28 13.508 -2.482 3.307 227 HA LYS 28 HA LYS 28 15.324 -0.643 4.409 228 HB2 LYS 28 HB2 LYS 28 12.962 -0.854 5.098 229 HB3 LYS 28 HB1 LYS 28 13.325 -2.401 5.841 230 HG2 LYS 28 HG2 LYS 28 13.212 -0.776 7.566 231 HG3 LYS 28 HG1 LYS 28 14.904 -1.219 7.366 232 HD2 LYS 28 HD2 LYS 28 13.905 1.118 5.829 233 HD3 LYS 28 HD1 LYS 28 14.096 1.312 7.571 234 HE2 LYS 28 HE2 LYS 28 16.236 0.442 5.629 235 HE3 LYS 28 HE1 LYS 28 16.097 2.029 6.378 236 HZ1 LYS 28 HZ1 LYS 28 17.724 0.697 7.526 237 HZ2 LYS 28 HZ2 LYS 28 16.596 -0.535 7.794 238 HZ3 LYS 28 HZ3 LYS 28 16.401 0.969 8.548 239 H LYS 29 HN LYS 29 15.244 -4.129 4.433 240 HA LYS 29 HA LYS 29 17.129 -4.473 6.556 241 HB2 LYS 29 HB2 LYS 29 16.353 -6.347 4.312 242 HB3 LYS 29 HB1 LYS 29 17.308 -6.793 5.718 243 HG2 LYS 29 HG2 LYS 29 15.415 -6.254 7.170 244 HG3 LYS 29 HG1 LYS 29 14.455 -5.830 5.747 245 HD2 LYS 29 HD2 LYS 29 14.738 -8.134 4.907 246 HD3 LYS 29 HD1 LYS 29 15.629 -8.538 6.382 247 HE2 LYS 29 HE2 LYS 29 12.762 -7.607 6.231 248 HE3 LYS 29 HE1 LYS 29 13.303 -9.255 6.538 249 HZ1 LYS 29 HZ1 LYS 29 14.367 -8.484 8.572 250 HZ2 LYS 29 HZ2 LYS 29 12.711 -8.139 8.587 251 HZ3 LYS 29 HZ3 LYS 29 13.825 -6.908 8.279 252 H LEU 30 HN LEU 30 17.319 -4.137 3.075 253 HA LEU 30 HA LEU 30 20.129 -4.628 2.905 254 HB2 LEU 30 HB2 LEU 30 18.096 -3.475 1.018 255 HB3 LEU 30 HB1 LEU 30 19.806 -3.404 0.638 256 HG LEU 30 HG LEU 30 19.897 -5.889 0.792 257 HD11 LEU 30 HD11 LEU 30 17.799 -7.148 0.726 258 HD12 LEU 30 HD12 LEU 30 16.904 -5.656 1.018 259 HD13 LEU 30 HD13 LEU 30 18.003 -6.282 2.248 260 HD21 LEU 30 HD21 LEU 30 19.668 -4.785 -1.359 261 HD22 LEU 30 HD22 LEU 30 17.913 -4.763 -1.174 262 HD23 LEU 30 HD23 LEU 30 18.764 -6.299 -1.336 263 H VAL 31 HN VAL 31 18.068 -1.785 3.164 264 HA VAL 31 HA VAL 31 20.380 -0.036 3.471 265 HB VAL 31 HB VAL 31 17.480 0.699 3.924 266 HG11 VAL 31 HG11 VAL 31 19.882 2.362 3.172 267 HG12 VAL 31 HG12 VAL 31 19.107 2.311 4.754 268 HG13 VAL 31 HG13 VAL 31 18.236 2.961 3.366 269 HG21 VAL 31 HG21 VAL 31 17.659 -0.268 1.702 270 HG22 VAL 31 HG22 VAL 31 19.021 0.792 1.333 271 HG23 VAL 31 HG23 VAL 31 17.417 1.476 1.598 272 H GLY 32 HN GLY 32 19.782 -2.310 5.247 273 HA2 GLY 32 HA2 GLY 32 19.525 -0.867 7.807 274 HA3 GLY 32 HA1 GLY 32 19.044 -2.545 7.565 275 H GLU 33 HN GLU 33 21.226 -3.394 6.049 276 HA GLU 33 HA GLU 33 23.267 -3.624 8.082 277 HB2 GLU 33 HB2 GLU 33 22.592 -5.585 6.731 278 HB3 GLU 33 HB1 GLU 33 23.152 -4.767 5.280 279 HG2 GLU 33 HG2 GLU 33 25.432 -4.710 6.270 280 HG3 GLU 33 HG1 GLU 33 24.824 -5.689 7.603 281 H1 GLY 1 HT1 GLY 1 -24.523 6.772 5.452 282 H2 GLY 1 HT2 GLY 1 -22.899 6.406 5.145 283 H3 GLY 1 HT3 GLY 1 -23.809 5.425 6.177 284 HA2 GLY 1 HA1 GLY 1 -25.227 4.747 4.357 285 HA3 GLY 1 HA2 GLY 1 -24.296 5.776 3.278 286 H SER 2 HN SER 2 -23.284 4.381 1.959 287 HA SER 2 HA SER 2 -21.449 2.470 3.207 288 HB2 SER 2 HB2 SER 2 -22.047 0.922 1.205 289 HB3 SER 2 HB1 SER 2 -23.151 0.989 2.581 290 HG SER 2 HG SER 2 -23.454 1.996 -0.013 291 H MET 3 HN MET 3 -22.316 4.463 0.465 292 HA MET 3 HA MET 3 -20.317 3.734 -1.323 293 HB2 MET 3 HB2 MET 3 -22.244 5.094 -1.957 294 HB3 MET 3 HB1 MET 3 -21.653 6.420 -0.972 295 HG2 MET 3 HG2 MET 3 -20.954 7.118 -3.014 296 HG3 MET 3 HG1 MET 3 -19.540 6.194 -2.521 297 HE1 MET 3 HE1 MET 3 -19.719 2.997 -4.681 298 HE2 MET 3 HE2 MET 3 -20.455 3.070 -3.082 299 HE3 MET 3 HE3 MET 3 -18.912 3.871 -3.378 300 H LYS 4 HN LYS 4 -20.294 6.585 0.846 301 HA LYS 4 HA LYS 4 -17.485 6.980 0.235 302 HB2 LYS 4 HB2 LYS 4 -17.645 9.041 1.488 303 HB3 LYS 4 HB1 LYS 4 -19.000 8.926 0.376 304 HG2 LYS 4 HG2 LYS 4 -20.506 8.407 2.125 305 HG3 LYS 4 HG1 LYS 4 -19.190 8.156 3.272 306 HD2 LYS 4 HD2 LYS 4 -20.164 10.290 3.730 307 HD3 LYS 4 HD1 LYS 4 -18.589 10.565 2.988 308 HE2 LYS 4 HE2 LYS 4 -20.187 12.089 2.039 309 HE3 LYS 4 HE1 LYS 4 -19.721 10.909 0.817 310 HZ1 LYS 4 HZ1 LYS 4 -22.200 10.789 2.447 311 HZ2 LYS 4 HZ2 LYS 4 -21.762 9.712 1.219 312 HZ3 LYS 4 HZ3 LYS 4 -22.111 11.323 0.844 313 H GLN 5 HN GLN 5 -19.124 5.102 2.373 314 HA GLN 5 HA GLN 5 -17.386 5.459 4.665 315 HB2 GLN 5 HB2 GLN 5 -19.818 3.849 4.067 316 HB3 GLN 5 HB1 GLN 5 -18.714 3.209 5.274 317 HG2 GLN 5 HG2 GLN 5 -20.553 4.524 6.234 318 HG3 GLN 5 HG1 GLN 5 -18.963 5.172 6.626 319 HE21 GLN 5 HE21 GLN 5 -18.368 7.160 5.850 320 HE22 GLN 5 HE22 GLN 5 -19.479 8.239 5.082 321 H LEU 6 HN LEU 6 -18.158 2.962 2.293 322 HA LEU 6 HA LEU 6 -15.971 1.280 2.925 323 HB2 LEU 6 HB2 LEU 6 -17.841 1.548 0.605 324 HB3 LEU 6 HB1 LEU 6 -16.400 0.576 0.420 325 HG LEU 6 HG LEU 6 -18.468 -0.712 0.975 326 HD11 LEU 6 HD11 LEU 6 -17.406 -2.200 2.526 327 HD12 LEU 6 HD12 LEU 6 -16.306 -0.934 3.062 328 HD13 LEU 6 HD13 LEU 6 -16.188 -1.566 1.421 329 HD21 LEU 6 HD21 LEU 6 -19.496 0.877 2.516 330 HD22 LEU 6 HD22 LEU 6 -18.184 0.620 3.666 331 HD23 LEU 6 HD23 LEU 6 -19.283 -0.702 3.273 332 H GLU 7 HN GLU 7 -16.531 3.816 0.521 333 HA GLU 7 HA GLU 7 -14.010 3.741 -0.696 334 HB2 GLU 7 HB2 GLU 7 -15.958 4.985 -1.587 335 HB3 GLU 7 HB1 GLU 7 -15.776 6.157 -0.290 336 HG2 GLU 7 HG2 GLU 7 -13.577 6.770 -1.134 337 HG3 GLU 7 HG1 GLU 7 -13.732 5.574 -2.419 338 H ASP 8 HN ASP 8 -15.118 5.332 2.275 339 HA ASP 8 HA ASP 8 -12.832 6.877 2.776 340 HB2 ASP 8 HB2 ASP 8 -14.984 5.753 4.437 341 HB3 ASP 8 HB1 ASP 8 -13.471 6.028 5.295 342 H LYS 9 HN LYS 9 -13.474 3.478 3.462 343 HA LYS 9 HA LYS 9 -11.001 3.005 4.780 344 HB2 LYS 9 HB2 LYS 9 -12.937 1.572 5.158 345 HB3 LYS 9 HB1 LYS 9 -12.942 1.091 3.469 346 HG2 LYS 9 HG2 LYS 9 -10.809 -0.026 3.754 347 HG3 LYS 9 HG1 LYS 9 -10.737 0.504 5.435 348 HD2 LYS 9 HD2 LYS 9 -12.925 -1.233 4.300 349 HD3 LYS 9 HD1 LYS 9 -11.500 -1.853 5.132 350 HE2 LYS 9 HE2 LYS 9 -12.142 -0.494 7.114 351 HE3 LYS 9 HE1 LYS 9 -13.625 -0.044 6.274 352 HZ1 LYS 9 HZ1 LYS 9 -13.964 -1.891 7.804 353 HZ2 LYS 9 HZ2 LYS 9 -12.824 -2.817 6.970 354 HZ3 LYS 9 HZ3 LYS 9 -14.261 -2.360 6.208 355 H VAL 10 HN VAL 10 -12.124 2.628 1.448 356 HA VAL 10 HA VAL 10 -9.867 1.339 0.386 357 HB VAL 10 HB VAL 10 -11.444 3.413 -1.127 358 HG11 VAL 10 HG11 VAL 10 -9.484 2.498 -2.243 359 HG12 VAL 10 HG12 VAL 10 -10.968 1.982 -3.043 360 HG13 VAL 10 HG13 VAL 10 -10.101 0.863 -1.989 361 HG21 VAL 10 HG21 VAL 10 -12.911 1.729 0.113 362 HG22 VAL 10 HG22 VAL 10 -12.249 0.538 -1.010 363 HG23 VAL 10 HG23 VAL 10 -13.156 1.916 -1.622 364 H GLU 11 HN GLU 11 -10.654 4.791 0.639 365 HA GLU 11 HA GLU 11 -8.299 5.778 -0.559 366 HB2 GLU 11 HB2 GLU 11 -10.259 7.172 -0.347 367 HB3 GLU 11 HB1 GLU 11 -10.252 7.015 1.402 368 HG2 GLU 11 HG2 GLU 11 -9.467 9.185 0.857 369 HG3 GLU 11 HG1 GLU 11 -8.093 8.250 1.438 370 H GLU 12 HN GLU 12 -9.018 4.813 2.750 371 HA GLU 12 HA GLU 12 -6.729 5.947 3.962 372 HB2 GLU 12 HB2 GLU 12 -8.463 3.604 4.744 373 HB3 GLU 12 HB1 GLU 12 -7.122 4.169 5.730 374 HG2 GLU 12 HG2 GLU 12 -8.177 6.346 5.948 375 HG3 GLU 12 HG1 GLU 12 -9.511 5.812 4.928 376 H LEU 13 HN LEU 13 -7.365 2.755 2.550 377 HA LEU 13 HA LEU 13 -4.708 1.804 2.934 378 HB2 LEU 13 HB2 LEU 13 -6.813 0.948 0.949 379 HB3 LEU 13 HB1 LEU 13 -5.309 0.096 1.241 380 HG LEU 13 HG LEU 13 -7.605 0.440 3.164 381 HD11 LEU 13 HD11 LEU 13 -6.368 -1.999 1.904 382 HD12 LEU 13 HD12 LEU 13 -7.891 -1.253 1.424 383 HD13 LEU 13 HD13 LEU 13 -7.730 -1.976 3.025 384 HD21 LEU 13 HD21 LEU 13 -5.541 0.631 4.411 385 HD22 LEU 13 HD22 LEU 13 -4.893 -0.802 3.613 386 HD23 LEU 13 HD23 LEU 13 -6.269 -0.947 4.706 387 H LEU 14 HN LEU 14 -6.331 3.668 0.481 388 HA LEU 14 HA LEU 14 -4.348 3.621 -1.518 389 HB2 LEU 14 HB2 LEU 14 -6.783 4.603 -1.485 390 HB3 LEU 14 HB1 LEU 14 -5.984 6.059 -0.933 391 HG LEU 14 HG LEU 14 -4.534 5.931 -3.002 392 HD11 LEU 14 HD11 LEU 14 -4.925 3.577 -3.530 393 HD12 LEU 14 HD12 LEU 14 -5.391 4.626 -4.871 394 HD13 LEU 14 HD13 LEU 14 -6.631 3.934 -3.824 395 HD21 LEU 14 HD21 LEU 14 -6.392 7.499 -2.786 396 HD22 LEU 14 HD22 LEU 14 -7.506 6.265 -3.379 397 HD23 LEU 14 HD23 LEU 14 -6.249 6.903 -4.440 398 H SER 15 HN SER 15 -4.697 5.364 1.450 399 HA SER 15 HA SER 15 -2.668 7.303 0.955 400 HB2 SER 15 HB2 SER 15 -3.897 6.419 3.579 401 HB3 SER 15 HB1 SER 15 -2.949 7.884 3.316 402 HG SER 15 HG SER 15 -5.459 7.240 2.134 403 H LYS 16 HN LYS 16 -2.838 4.195 2.680 404 HA LYS 16 HA LYS 16 -0.091 4.245 3.405 405 HB2 LYS 16 HB2 LYS 16 -1.944 1.870 3.092 406 HB3 LYS 16 HB1 LYS 16 -0.319 1.801 3.763 407 HG2 LYS 16 HG2 LYS 16 -1.154 3.539 5.450 408 HG3 LYS 16 HG1 LYS 16 -2.769 3.093 4.905 409 HD2 LYS 16 HD2 LYS 16 -0.715 1.190 6.030 410 HD3 LYS 16 HD1 LYS 16 -2.078 1.859 6.921 411 HE2 LYS 16 HE2 LYS 16 -3.604 0.786 5.283 412 HE3 LYS 16 HE1 LYS 16 -2.203 0.030 4.521 413 HZ1 LYS 16 HZ1 LYS 16 -3.238 -1.486 6.054 414 HZ2 LYS 16 HZ2 LYS 16 -3.104 -0.377 7.321 415 HZ3 LYS 16 HZ3 LYS 16 -1.713 -1.054 6.639 416 H ASN 17 HN ASN 17 -1.879 3.118 0.587 417 HA ASN 17 HA ASN 17 0.240 1.920 -0.805 418 HB2 ASN 17 HB2 ASN 17 -2.342 3.172 -1.570 419 HB3 ASN 17 HB1 ASN 17 -1.129 3.044 -2.840 420 HD21 ASN 17 HD21 ASN 17 -3.253 1.324 -0.726 421 HD22 ASN 17 HD22 ASN 17 -3.068 -0.226 -1.474 422 H TYR 18 HN TYR 18 -0.738 5.294 -0.446 423 HA TYR 18 HA TYR 18 1.216 6.380 -2.180 424 HB2 TYR 18 HB2 TYR 18 -0.649 7.726 -1.386 425 HB3 TYR 18 HB1 TYR 18 -0.092 7.571 0.276 426 HD1 TYR 18 HD1 TYR 18 1.539 9.045 1.156 427 HD2 TYR 18 HD2 TYR 18 0.742 9.040 -3.021 428 HE1 TYR 18 HE1 TYR 18 2.873 11.093 0.906 429 HE2 TYR 18 HE2 TYR 18 2.077 11.087 -3.284 430 HH TYR 18 HH TYR 18 2.812 12.989 -1.904 431 H HIS 19 HN HIS 19 1.246 5.833 1.333 432 HA HIS 19 HA HIS 19 3.836 6.858 1.776 433 HB2 HIS 19 HB2 HIS 19 2.056 5.027 3.362 434 HB3 HIS 19 HB1 HIS 19 3.681 5.414 3.913 435 HD1 HIS 19 HD1 HIS 19 3.529 7.125 5.681 436 HD2 HIS 19 HD2 HIS 19 0.764 7.800 2.651 437 HE1 HIS 19 HE1 HIS 19 2.324 9.238 6.320 438 HE2 HIS 19 HE2 HIS 19 0.563 9.544 4.547 439 H LEU 20 HN LEU 20 2.747 3.474 1.538 440 HA LEU 20 HA LEU 20 5.245 2.272 1.916 441 HB2 LEU 20 HB2 LEU 20 3.028 1.215 0.173 442 HB3 LEU 20 HB1 LEU 20 4.277 0.270 0.944 443 HG LEU 20 HG LEU 20 1.945 1.632 2.192 444 HD11 LEU 20 HD11 LEU 20 1.429 -0.630 2.996 445 HD12 LEU 20 HD12 LEU 20 2.807 -1.231 2.072 446 HD13 LEU 20 HD13 LEU 20 1.440 -0.492 1.238 447 HD21 LEU 20 HD21 LEU 20 4.273 0.338 3.595 448 HD22 LEU 20 HD22 LEU 20 2.771 0.836 4.373 449 HD23 LEU 20 HD23 LEU 20 3.832 2.045 3.653 450 H GLU 21 HN GLU 21 3.480 2.886 -1.091 451 HA GLU 21 HA GLU 21 5.428 1.858 -2.815 452 HB2 GLU 21 HB2 GLU 21 2.947 2.651 -3.247 453 HB3 GLU 21 HB1 GLU 21 3.739 4.148 -3.722 454 HG2 GLU 21 HG2 GLU 21 5.098 2.879 -5.340 455 HG3 GLU 21 HG1 GLU 21 4.210 1.421 -4.895 456 H ASN 22 HN ASN 22 5.024 5.141 -1.551 457 HA ASN 22 HA ASN 22 7.164 6.243 -3.077 458 HB2 ASN 22 HB2 ASN 22 5.647 7.179 -0.660 459 HB3 ASN 22 HB1 ASN 22 7.078 8.045 -1.208 460 HD21 ASN 22 HD21 ASN 22 5.868 9.875 -1.693 461 HD22 ASN 22 HD22 ASN 22 4.831 9.950 -3.075 462 H GLU 23 HN GLU 23 6.927 4.678 0.068 463 HA GLU 23 HA GLU 23 9.599 5.271 0.868 464 HB2 GLU 23 HB2 GLU 23 7.418 3.552 1.835 465 HB3 GLU 23 HB1 GLU 23 9.029 2.940 2.177 466 HG2 GLU 23 HG2 GLU 23 8.215 4.254 4.030 467 HG3 GLU 23 HG1 GLU 23 9.595 5.049 3.278 468 H VAL 24 HN VAL 24 8.111 2.545 -0.841 469 HA VAL 24 HA VAL 24 10.372 0.907 -1.037 470 HB VAL 24 HB VAL 24 8.248 1.239 -3.175 471 HG11 VAL 24 HG11 VAL 24 10.207 0.017 -3.937 472 HG12 VAL 24 HG12 VAL 24 8.828 -1.070 -3.763 473 HG13 VAL 24 HG13 VAL 24 10.099 -1.054 -2.540 474 HG21 VAL 24 HG21 VAL 24 7.087 -0.624 -2.111 475 HG22 VAL 24 HG22 VAL 24 7.216 0.753 -1.016 476 HG23 VAL 24 HG23 VAL 24 8.283 -0.638 -0.815 477 H ALA 25 HN ALA 25 9.188 3.447 -3.217 478 HA ALA 25 HA ALA 25 11.196 3.233 -5.159 479 HB1 ALA 25 HB1 ALA 25 9.105 4.458 -5.518 480 HB2 ALA 25 HB2 ALA 25 10.506 5.475 -5.865 481 HB3 ALA 25 HB3 ALA 25 9.618 5.680 -4.354 482 H ARG 26 HN ARG 26 11.014 5.191 -2.220 483 HA ARG 26 HA ARG 26 13.385 6.656 -2.616 484 HB2 ARG 26 HB2 ARG 26 11.559 7.180 -0.963 485 HB3 ARG 26 HB1 ARG 26 12.150 5.859 0.030 486 HG2 ARG 26 HG2 ARG 26 13.984 8.081 -0.766 487 HG3 ARG 26 HG1 ARG 26 12.857 8.284 0.573 488 HD2 ARG 26 HD2 ARG 26 13.813 6.319 1.672 489 HD3 ARG 26 HD1 ARG 26 14.935 6.112 0.328 490 HE ARG 26 HE ARG 26 15.516 8.592 1.097 491 HH11 ARG 26 HH11 ARG 26 15.001 5.712 3.010 492 HH12 ARG 26 HH12 ARG 26 16.120 6.173 4.250 493 HH21 ARG 26 HH21 ARG 26 16.981 9.222 2.743 494 HH22 ARG 26 HH22 ARG 26 17.243 8.175 4.101 495 H LEU 27 HN LEU 27 12.763 3.710 -0.711 496 HA LEU 27 HA LEU 27 15.421 3.255 0.082 497 HB2 LEU 27 HB2 LEU 27 12.957 1.605 -0.114 498 HB3 LEU 27 HB1 LEU 27 14.479 0.769 0.025 499 HG LEU 27 HG LEU 27 14.900 1.606 2.181 500 HD11 LEU 27 HD11 LEU 27 13.576 3.342 3.262 501 HD12 LEU 27 HD12 LEU 27 12.619 3.538 1.793 502 HD13 LEU 27 HD13 LEU 27 14.333 3.951 1.790 503 HD21 LEU 27 HD21 LEU 27 13.217 -0.126 2.153 504 HD22 LEU 27 HD22 LEU 27 11.946 1.080 1.952 505 HD23 LEU 27 HD23 LEU 27 12.885 1.029 3.445 506 H LYS 28 HN LYS 28 13.639 2.321 -2.798 507 HA LYS 28 HA LYS 28 15.489 0.477 -3.828 508 HB2 LYS 28 HB2 LYS 28 13.155 0.705 -4.609 509 HB3 LYS 28 HB1 LYS 28 13.560 2.250 -5.338 510 HG2 LYS 28 HG2 LYS 28 13.502 0.627 -7.065 511 HG3 LYS 28 HG1 LYS 28 15.189 1.053 -6.798 512 HD2 LYS 28 HD2 LYS 28 14.107 -1.274 -5.303 513 HD3 LYS 28 HD1 LYS 28 14.367 -1.470 -7.035 514 HE2 LYS 28 HE2 LYS 28 16.432 -0.618 -5.007 515 HE3 LYS 28 HE1 LYS 28 16.311 -2.205 -5.759 516 HZ1 LYS 28 HZ1 LYS 28 17.995 -0.890 -6.837 517 HZ2 LYS 28 HZ2 LYS 28 16.894 0.355 -7.149 518 HZ3 LYS 28 HZ3 LYS 28 16.715 -1.143 -7.913 519 H LYS 29 HN LYS 29 15.432 3.964 -3.847 520 HA LYS 29 HA LYS 29 17.399 4.294 -5.896 521 HB2 LYS 29 HB2 LYS 29 16.551 6.173 -3.685 522 HB3 LYS 29 HB1 LYS 29 17.567 6.611 -5.051 523 HG2 LYS 29 HG2 LYS 29 15.732 6.086 -6.581 524 HG3 LYS 29 HG1 LYS 29 14.709 5.673 -5.200 525 HD2 LYS 29 HD2 LYS 29 14.978 7.977 -4.353 526 HD3 LYS 29 HD1 LYS 29 15.932 8.369 -5.793 527 HE2 LYS 29 HE2 LYS 29 13.051 7.462 -5.752 528 HE3 LYS 29 HE1 LYS 29 13.616 9.106 -6.041 529 HZ1 LYS 29 HZ1 LYS 29 14.748 8.319 -8.032 530 HZ2 LYS 29 HZ2 LYS 29 13.093 7.986 -8.108 531 HZ3 LYS 29 HZ3 LYS 29 14.188 6.749 -7.755 532 H LEU 30 HN LEU 30 17.450 3.961 -2.415 533 HA LEU 30 HA LEU 30 20.255 4.426 -2.129 534 HB2 LEU 30 HB2 LEU 30 18.136 3.290 -0.330 535 HB3 LEU 30 HB1 LEU 30 19.827 3.209 0.121 536 HG LEU 30 HG LEU 30 19.944 5.693 -0.033 537 HD11 LEU 30 HD11 LEU 30 17.857 6.971 -0.053 538 HD12 LEU 30 HD12 LEU 30 16.960 5.488 -0.378 539 HD13 LEU 30 HD13 LEU 30 18.113 6.098 -1.564 540 HD21 LEU 30 HD21 LEU 30 19.623 4.592 2.107 541 HD22 LEU 30 HD22 LEU 30 17.878 4.584 1.857 542 HD23 LEU 30 HD23 LEU 30 18.732 6.114 2.049 543 H VAL 31 HN VAL 31 18.183 1.603 -2.475 544 HA VAL 31 HA VAL 31 20.491 -0.168 -2.687 545 HB VAL 31 HB VAL 31 17.603 -0.877 -3.255 546 HG11 VAL 31 HG11 VAL 31 19.959 -2.560 -2.406 547 HG12 VAL 31 HG12 VAL 31 19.248 -2.505 -4.018 548 HG13 VAL 31 HG13 VAL 31 18.316 -3.145 -2.665 549 HG21 VAL 31 HG21 VAL 31 17.706 0.088 -1.027 550 HG22 VAL 31 HG22 VAL 31 19.042 -0.984 -0.606 551 HG23 VAL 31 HG23 VAL 31 17.444 -1.654 -0.934 552 H GLY 32 HN GLY 32 19.990 2.109 -4.483 553 HA2 GLY 32 HA2 GLY 32 19.823 0.673 -7.055 554 HA3 GLY 32 HA1 GLY 32 19.334 2.350 -6.828 555 H GLU 33 HN GLU 33 21.470 3.179 -5.217 556 HA GLU 33 HA GLU 33 23.578 3.417 -7.179 557 HB2 GLU 33 HB2 GLU 33 22.877 5.363 -5.832 558 HB3 GLU 33 HB1 GLU 33 23.377 4.526 -4.369 559 HG2 GLU 33 HG2 GLU 33 25.689 4.457 -5.274 560 HG3 GLU 33 HG1 GLU 33 25.138 5.446 -6.624 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 -27.013 -5.569 -4.581 2 H2 GLY 1 HT2 GLY 1 -25.738 -5.411 -5.680 3 H3 GLY 1 HT3 GLY 1 -26.406 -4.037 -4.961 4 HA2 GLY 1 HA1 GLY 1 -25.623 -4.741 -2.797 5 HA3 GLY 1 HA2 GLY 1 -24.937 -6.182 -3.537 6 H SER 2 HN SER 2 -23.733 -3.840 -2.076 7 HA SER 2 HA SER 2 -21.742 -3.158 -4.134 8 HB2 SER 2 HB2 SER 2 -21.476 -0.975 -2.867 9 HB3 SER 2 HB1 SER 2 -22.992 -1.160 -3.748 10 HG SER 2 HG SER 2 -23.674 -0.539 -1.802 11 H MET 3 HN MET 3 -22.326 -4.622 -1.182 12 HA MET 3 HA MET 3 -20.218 -3.775 0.443 13 HB2 MET 3 HB2 MET 3 -21.504 -6.506 0.373 14 HB3 MET 3 HB1 MET 3 -20.547 -5.857 1.691 15 HG2 MET 3 HG2 MET 3 -23.152 -4.694 0.738 16 HG3 MET 3 HG1 MET 3 -22.987 -5.815 2.085 17 HE1 MET 3 HE1 MET 3 -22.036 -1.336 2.055 18 HE2 MET 3 HE2 MET 3 -23.170 -2.198 1.019 19 HE3 MET 3 HE3 MET 3 -21.436 -2.376 0.765 20 H LYS 4 HN LYS 4 -20.384 -6.670 -1.621 21 HA LYS 4 HA LYS 4 -17.698 -7.426 -1.023 22 HB2 LYS 4 HB2 LYS 4 -19.493 -8.401 -3.251 23 HB3 LYS 4 HB1 LYS 4 -18.020 -9.180 -2.696 24 HG2 LYS 4 HG2 LYS 4 -19.101 -9.482 -0.472 25 HG3 LYS 4 HG1 LYS 4 -20.592 -8.855 -1.170 26 HD2 LYS 4 HD2 LYS 4 -20.905 -11.128 -1.395 27 HD3 LYS 4 HD1 LYS 4 -20.204 -10.718 -2.959 28 HE2 LYS 4 HE2 LYS 4 -18.670 -11.805 -0.596 29 HE3 LYS 4 HE1 LYS 4 -19.231 -12.762 -1.961 30 HZ1 LYS 4 HZ1 LYS 4 -17.236 -10.566 -2.040 31 HZ2 LYS 4 HZ2 LYS 4 -17.841 -11.352 -3.406 32 HZ3 LYS 4 HZ3 LYS 4 -16.941 -12.214 -2.268 33 H GLN 5 HN GLN 5 -19.054 -5.253 -3.237 34 HA GLN 5 HA GLN 5 -17.006 -5.578 -5.262 35 HB2 GLN 5 HB2 GLN 5 -19.371 -3.703 -5.087 36 HB3 GLN 5 HB1 GLN 5 -18.264 -3.785 -6.449 37 HG2 GLN 5 HG2 GLN 5 -18.924 -6.085 -6.870 38 HG3 GLN 5 HG1 GLN 5 -20.004 -6.040 -5.477 39 HE21 GLN 5 HE21 GLN 5 -21.799 -6.488 -6.741 40 HE22 GLN 5 HE22 GLN 5 -22.496 -5.316 -7.801 41 H LEU 6 HN LEU 6 -18.203 -3.092 -3.039 42 HA LEU 6 HA LEU 6 -16.075 -1.285 -3.490 43 HB2 LEU 6 HB2 LEU 6 -18.137 -1.641 -1.358 44 HB3 LEU 6 HB1 LEU 6 -16.769 -0.604 -1.027 45 HG LEU 6 HG LEU 6 -18.833 0.583 -1.803 46 HD11 LEU 6 HD11 LEU 6 -16.457 0.919 -3.627 47 HD12 LEU 6 HD12 LEU 6 -16.571 1.561 -1.990 48 HD13 LEU 6 HD13 LEU 6 -17.682 2.125 -3.237 49 HD21 LEU 6 HD21 LEU 6 -18.169 -0.665 -4.465 50 HD22 LEU 6 HD22 LEU 6 -19.430 0.526 -4.144 51 HD23 LEU 6 HD23 LEU 6 -19.549 -1.094 -3.457 52 H GLU 7 HN GLU 7 -16.646 -3.858 -1.115 53 HA GLU 7 HA GLU 7 -14.186 -3.561 0.234 54 HB2 GLU 7 HB2 GLU 7 -16.144 -4.855 1.084 55 HB3 GLU 7 HB1 GLU 7 -15.781 -6.104 -0.099 56 HG2 GLU 7 HG2 GLU 7 -13.658 -6.541 0.945 57 HG3 GLU 7 HG1 GLU 7 -13.895 -5.202 2.066 58 H ASP 8 HN ASP 8 -15.065 -5.260 -2.748 59 HA ASP 8 HA ASP 8 -12.700 -6.718 -3.124 60 HB2 ASP 8 HB2 ASP 8 -14.811 -5.679 -4.877 61 HB3 ASP 8 HB1 ASP 8 -13.244 -5.815 -5.668 62 H LYS 9 HN LYS 9 -13.416 -3.338 -3.815 63 HA LYS 9 HA LYS 9 -10.929 -2.734 -5.032 64 HB2 LYS 9 HB2 LYS 9 -12.922 -0.910 -3.673 65 HB3 LYS 9 HB1 LYS 9 -11.598 -0.378 -4.700 66 HG2 LYS 9 HG2 LYS 9 -12.576 -1.457 -6.612 67 HG3 LYS 9 HG1 LYS 9 -13.843 -2.166 -5.608 68 HD2 LYS 9 HD2 LYS 9 -14.715 0.039 -5.105 69 HD3 LYS 9 HD1 LYS 9 -13.404 0.790 -6.016 70 HE2 LYS 9 HE2 LYS 9 -14.203 -0.313 -8.055 71 HE3 LYS 9 HE1 LYS 9 -15.523 -1.038 -7.140 72 HZ1 LYS 9 HZ1 LYS 9 -16.229 0.937 -8.343 73 HZ2 LYS 9 HZ2 LYS 9 -15.092 1.874 -7.515 74 HZ3 LYS 9 HZ3 LYS 9 -16.374 1.164 -6.674 75 H VAL 10 HN VAL 10 -12.152 -2.436 -1.726 76 HA VAL 10 HA VAL 10 -9.963 -1.103 -0.595 77 HB VAL 10 HB VAL 10 -11.524 -3.223 0.872 78 HG11 VAL 10 HG11 VAL 10 -9.651 -2.262 2.068 79 HG12 VAL 10 HG12 VAL 10 -11.171 -1.735 2.792 80 HG13 VAL 10 HG13 VAL 10 -10.261 -0.635 1.752 81 HG21 VAL 10 HG21 VAL 10 -13.263 -1.688 1.368 82 HG22 VAL 10 HG22 VAL 10 -13.062 -1.686 -0.385 83 HG23 VAL 10 HG23 VAL 10 -12.405 -0.366 0.582 84 H GLU 11 HN GLU 11 -10.655 -4.588 -0.795 85 HA GLU 11 HA GLU 11 -8.211 -5.384 0.424 86 HB2 GLU 11 HB2 GLU 11 -10.239 -6.779 0.428 87 HB3 GLU 11 HB1 GLU 11 -10.122 -6.964 -1.316 88 HG2 GLU 11 HG2 GLU 11 -8.009 -8.143 -1.061 89 HG3 GLU 11 HG1 GLU 11 -8.098 -7.939 0.687 90 H GLU 12 HN GLU 12 -9.039 -4.481 -2.797 91 HA GLU 12 HA GLU 12 -6.917 -5.827 -4.140 92 HB2 GLU 12 HB2 GLU 12 -8.976 -4.938 -5.270 93 HB3 GLU 12 HB1 GLU 12 -8.360 -3.314 -5.004 94 HG2 GLU 12 HG2 GLU 12 -7.910 -4.039 -7.265 95 HG3 GLU 12 HG1 GLU 12 -6.403 -3.832 -6.373 96 H LEU 13 HN LEU 13 -7.383 -2.610 -2.765 97 HA LEU 13 HA LEU 13 -4.688 -1.800 -3.237 98 HB2 LEU 13 HB2 LEU 13 -6.748 -0.760 -1.295 99 HB3 LEU 13 HB1 LEU 13 -5.199 0.001 -1.601 100 HG LEU 13 HG LEU 13 -7.482 -0.308 -3.550 101 HD11 LEU 13 HD11 LEU 13 -6.166 2.127 -2.367 102 HD12 LEU 13 HD12 LEU 13 -7.726 1.466 -1.883 103 HD13 LEU 13 HD13 LEU 13 -7.508 2.115 -3.510 104 HD21 LEU 13 HD21 LEU 13 -6.077 0.939 -5.129 105 HD22 LEU 13 HD22 LEU 13 -5.384 -0.633 -4.733 106 HD23 LEU 13 HD23 LEU 13 -4.725 0.831 -4.002 107 H LEU 14 HN LEU 14 -6.304 -3.686 -0.851 108 HA LEU 14 HA LEU 14 -4.399 -3.526 1.235 109 HB2 LEU 14 HB2 LEU 14 -6.789 -4.373 1.346 110 HB3 LEU 14 HB1 LEU 14 -6.209 -5.848 0.606 111 HG LEU 14 HG LEU 14 -4.640 -6.116 2.557 112 HD11 LEU 14 HD11 LEU 14 -4.641 -3.792 3.309 113 HD12 LEU 14 HD12 LEU 14 -5.155 -4.885 4.594 114 HD13 LEU 14 HD13 LEU 14 -6.351 -3.927 3.721 115 HD21 LEU 14 HD21 LEU 14 -7.599 -6.063 3.142 116 HD22 LEU 14 HD22 LEU 14 -6.381 -6.966 4.044 117 HD23 LEU 14 HD23 LEU 14 -6.717 -7.378 2.363 118 H SER 15 HN SER 15 -4.733 -5.578 -1.596 119 HA SER 15 HA SER 15 -2.733 -7.440 -0.778 120 HB2 SER 15 HB2 SER 15 -2.916 -8.197 -3.217 121 HB3 SER 15 HB1 SER 15 -4.367 -8.326 -2.227 122 HG SER 15 HG SER 15 -5.260 -7.195 -3.743 123 H LYS 16 HN LYS 16 -2.767 -4.565 -2.855 124 HA LYS 16 HA LYS 16 0.014 -4.878 -3.493 125 HB2 LYS 16 HB2 LYS 16 -0.047 -2.594 -4.347 126 HB3 LYS 16 HB1 LYS 16 -1.360 -3.560 -5.007 127 HG2 LYS 16 HG2 LYS 16 -2.925 -2.508 -3.495 128 HG3 LYS 16 HG1 LYS 16 -1.619 -1.598 -2.741 129 HD2 LYS 16 HD2 LYS 16 -2.496 -1.368 -5.620 130 HD3 LYS 16 HD1 LYS 16 -2.892 -0.231 -4.333 131 HE2 LYS 16 HE2 LYS 16 -1.091 0.855 -5.196 132 HE3 LYS 16 HE1 LYS 16 -0.243 -0.211 -4.077 133 HZ1 LYS 16 HZ1 LYS 16 0.177 -1.743 -5.892 134 HZ2 LYS 16 HZ2 LYS 16 0.777 -0.212 -6.275 135 HZ3 LYS 16 HZ3 LYS 16 -0.667 -0.750 -6.967 136 H ASN 17 HN ASN 17 -1.833 -3.218 -0.999 137 HA ASN 17 HA ASN 17 0.240 -1.892 0.323 138 HB2 ASN 17 HB2 ASN 17 -2.384 -3.025 1.108 139 HB3 ASN 17 HB1 ASN 17 -1.229 -2.795 2.416 140 HD21 ASN 17 HD21 ASN 17 -3.784 -1.432 1.586 141 HD22 ASN 17 HD22 ASN 17 -3.382 0.248 1.564 142 H TYR 18 HN TYR 18 -0.801 -5.281 0.438 143 HA TYR 18 HA TYR 18 1.139 -6.171 2.290 144 HB2 TYR 18 HB2 TYR 18 -0.719 -7.598 1.626 145 HB3 TYR 18 HB1 TYR 18 -0.143 -7.629 -0.036 146 HD1 TYR 18 HD1 TYR 18 1.497 -9.194 -0.727 147 HD2 TYR 18 HD2 TYR 18 0.640 -8.731 3.415 148 HE1 TYR 18 HE1 TYR 18 2.821 -11.205 -0.236 149 HE2 TYR 18 HE2 TYR 18 1.963 -10.742 3.915 150 HH TYR 18 HH TYR 18 4.058 -12.171 1.676 151 H HIS 19 HN HIS 19 1.209 -5.944 -1.236 152 HA HIS 19 HA HIS 19 3.761 -7.005 -1.667 153 HB2 HIS 19 HB2 HIS 19 2.152 -6.717 -3.471 154 HB3 HIS 19 HB1 HIS 19 2.207 -4.970 -3.280 155 HD1 HIS 19 HD1 HIS 19 3.502 -3.935 -5.096 156 HD2 HIS 19 HD2 HIS 19 5.043 -7.644 -4.038 157 HE1 HIS 19 HE1 HIS 19 5.484 -4.291 -6.594 158 HE2 HIS 19 HE2 HIS 19 6.286 -6.616 -6.058 159 H LEU 20 HN LEU 20 2.769 -3.590 -1.419 160 HA LEU 20 HA LEU 20 5.309 -2.445 -1.717 161 HB2 LEU 20 HB2 LEU 20 3.117 -1.345 0.023 162 HB3 LEU 20 HB1 LEU 20 4.379 -0.435 -0.767 163 HG LEU 20 HG LEU 20 1.981 -1.722 -1.974 164 HD11 LEU 20 HD11 LEU 20 1.582 0.432 -1.040 165 HD12 LEU 20 HD12 LEU 20 1.555 0.551 -2.799 166 HD13 LEU 20 HD13 LEU 20 2.968 1.102 -1.897 167 HD21 LEU 20 HD21 LEU 20 4.346 -0.540 -3.422 168 HD22 LEU 20 HD22 LEU 20 2.814 -0.978 -4.177 169 HD23 LEU 20 HD23 LEU 20 3.832 -2.227 -3.461 170 H GLU 21 HN GLU 21 3.476 -3.194 1.210 171 HA GLU 21 HA GLU 21 5.328 -2.423 3.126 172 HB2 GLU 21 HB2 GLU 21 3.008 -4.200 3.038 173 HB3 GLU 21 HB1 GLU 21 4.196 -4.675 4.244 174 HG2 GLU 21 HG2 GLU 21 4.042 -2.571 5.336 175 HG3 GLU 21 HG1 GLU 21 3.075 -1.897 4.029 176 H ASN 22 HN ASN 22 5.064 -5.548 1.472 177 HA ASN 22 HA ASN 22 7.250 -6.743 2.829 178 HB2 ASN 22 HB2 ASN 22 5.770 -7.397 0.300 179 HB3 ASN 22 HB1 ASN 22 7.226 -8.283 0.738 180 HD21 ASN 22 HD21 ASN 22 5.020 -7.047 3.141 181 HD22 ASN 22 HD22 ASN 22 4.411 -8.583 3.647 182 H GLU 23 HN GLU 23 6.973 -4.834 -0.125 183 HA GLU 23 HA GLU 23 9.644 -5.236 -0.997 184 HB2 GLU 23 HB2 GLU 23 7.711 -2.973 -1.508 185 HB3 GLU 23 HB1 GLU 23 9.284 -3.099 -2.283 186 HG2 GLU 23 HG2 GLU 23 7.041 -5.094 -2.507 187 HG3 GLU 23 HG1 GLU 23 7.501 -3.908 -3.727 188 H VAL 24 HN VAL 24 8.141 -2.698 0.990 189 HA VAL 24 HA VAL 24 10.458 -1.166 1.407 190 HB VAL 24 HB VAL 24 8.203 -1.513 3.399 191 HG11 VAL 24 HG11 VAL 24 8.821 0.742 4.120 192 HG12 VAL 24 HG12 VAL 24 10.132 0.760 2.939 193 HG13 VAL 24 HG13 VAL 24 10.173 -0.380 4.286 194 HG21 VAL 24 HG21 VAL 24 7.142 0.418 2.354 195 HG22 VAL 24 HG22 VAL 24 7.290 -0.919 1.213 196 HG23 VAL 24 HG23 VAL 24 8.400 0.448 1.118 197 H ALA 25 HN ALA 25 9.062 -3.859 3.234 198 HA ALA 25 HA ALA 25 10.793 -3.838 5.419 199 HB1 ALA 25 HB1 ALA 25 10.070 -6.134 5.807 200 HB2 ALA 25 HB2 ALA 25 9.438 -6.227 4.163 201 HB3 ALA 25 HB3 ALA 25 8.701 -5.128 5.330 202 H ARG 26 HN ARG 26 11.058 -5.578 2.336 203 HA ARG 26 HA ARG 26 13.466 -6.918 2.975 204 HB2 ARG 26 HB2 ARG 26 12.235 -6.211 0.312 205 HB3 ARG 26 HB1 ARG 26 13.666 -7.214 0.488 206 HG2 ARG 26 HG2 ARG 26 10.985 -7.859 1.696 207 HG3 ARG 26 HG1 ARG 26 11.561 -8.484 0.152 208 HD2 ARG 26 HD2 ARG 26 11.976 -10.159 1.790 209 HD3 ARG 26 HD1 ARG 26 13.529 -9.439 1.377 210 HE ARG 26 HE ARG 26 12.183 -8.348 3.709 211 HH11 ARG 26 HH11 ARG 26 14.584 -10.576 2.475 212 HH12 ARG 26 HH12 ARG 26 15.432 -10.691 3.982 213 HH21 ARG 26 HH21 ARG 26 13.300 -8.498 5.691 214 HH22 ARG 26 HH22 ARG 26 14.695 -9.520 5.812 215 H LEU 27 HN LEU 27 12.820 -3.943 1.150 216 HA LEU 27 HA LEU 27 15.489 -3.339 0.527 217 HB2 LEU 27 HB2 LEU 27 12.938 -1.832 0.633 218 HB3 LEU 27 HB1 LEU 27 14.416 -0.899 0.629 219 HG LEU 27 HG LEU 27 15.026 -1.633 -1.522 220 HD11 LEU 27 HD11 LEU 27 12.837 -3.699 -1.366 221 HD12 LEU 27 HD12 LEU 27 14.568 -4.019 -1.248 222 HD13 LEU 27 HD13 LEU 27 13.886 -3.392 -2.750 223 HD21 LEU 27 HD21 LEU 27 13.304 0.005 -1.630 224 HD22 LEU 27 HD22 LEU 27 12.054 -1.216 -1.394 225 HD23 LEU 27 HD23 LEU 27 12.995 -1.196 -2.884 226 H LYS 28 HN LYS 28 13.510 -2.548 3.341 227 HA LYS 28 HA LYS 28 15.280 -0.791 4.613 228 HB2 LYS 28 HB2 LYS 28 13.048 -2.540 5.523 229 HB3 LYS 28 HB1 LYS 28 14.129 -1.895 6.749 230 HG2 LYS 28 HG2 LYS 28 12.629 -0.235 4.736 231 HG3 LYS 28 HG1 LYS 28 12.117 -0.519 6.399 232 HD2 LYS 28 HD2 LYS 28 14.193 0.515 7.206 233 HD3 LYS 28 HD1 LYS 28 14.683 0.820 5.540 234 HE2 LYS 28 HE2 LYS 28 12.786 2.282 5.213 235 HE3 LYS 28 HE1 LYS 28 12.189 1.911 6.828 236 HZ1 LYS 28 HZ1 LYS 28 13.335 4.026 6.792 237 HZ2 LYS 28 HZ2 LYS 28 14.736 3.297 6.195 238 HZ3 LYS 28 HZ3 LYS 28 14.187 2.924 7.748 239 H LYS 29 HN LYS 29 15.286 -4.275 4.378 240 HA LYS 29 HA LYS 29 17.181 -4.717 6.462 241 HB2 LYS 29 HB2 LYS 29 15.752 -6.527 5.768 242 HB3 LYS 29 HB1 LYS 29 16.321 -6.411 4.112 243 HG2 LYS 29 HG2 LYS 29 17.276 -8.334 5.251 244 HG3 LYS 29 HG1 LYS 29 18.526 -7.170 4.795 245 HD2 LYS 29 HD2 LYS 29 18.596 -6.321 7.074 246 HD3 LYS 29 HD1 LYS 29 17.296 -7.430 7.544 247 HE2 LYS 29 HE2 LYS 29 19.501 -8.271 8.211 248 HE3 LYS 29 HE1 LYS 29 18.718 -9.335 7.048 249 HZ1 LYS 29 HZ1 LYS 29 20.846 -7.349 6.430 250 HZ2 LYS 29 HZ2 LYS 29 20.084 -8.359 5.303 251 HZ3 LYS 29 HZ3 LYS 29 21.045 -9.029 6.522 252 H LEU 30 HN LEU 30 17.395 -4.062 3.031 253 HA LEU 30 HA LEU 30 20.196 -4.683 2.861 254 HB2 LEU 30 HB2 LEU 30 18.189 -3.553 0.950 255 HB3 LEU 30 HB1 LEU 30 19.898 -3.466 0.579 256 HG LEU 30 HG LEU 30 19.991 -5.966 0.839 257 HD11 LEU 30 HD11 LEU 30 16.994 -5.722 0.816 258 HD12 LEU 30 HD12 LEU 30 17.982 -6.280 2.165 259 HD13 LEU 30 HD13 LEU 30 17.916 -7.218 0.674 260 HD21 LEU 30 HD21 LEU 30 19.954 -4.928 -1.343 261 HD22 LEU 30 HD22 LEU 30 18.193 -4.835 -1.293 262 HD23 LEU 30 HD23 LEU 30 18.990 -6.405 -1.358 263 H VAL 31 HN VAL 31 18.242 -1.738 3.022 264 HA VAL 31 HA VAL 31 20.532 0.002 3.025 265 HB VAL 31 HB VAL 31 17.722 0.579 4.001 266 HG11 VAL 31 HG11 VAL 31 18.300 2.925 3.614 267 HG12 VAL 31 HG12 VAL 31 19.937 2.448 3.165 268 HG13 VAL 31 HG13 VAL 31 19.363 2.186 4.812 269 HG21 VAL 31 HG21 VAL 31 17.362 1.591 1.787 270 HG22 VAL 31 HG22 VAL 31 17.668 -0.142 1.686 271 HG23 VAL 31 HG23 VAL 31 18.943 1.005 1.276 272 H GLY 32 HN GLY 32 18.785 -1.871 5.292 273 HA2 GLY 32 HA2 GLY 32 19.552 -0.495 7.669 274 HA3 GLY 32 HA1 GLY 32 18.839 -2.100 7.555 275 H GLU 33 HN GLU 33 20.470 -3.727 6.472 276 HA GLU 33 HA GLU 33 23.194 -3.336 7.302 277 HB2 GLU 33 HB2 GLU 33 23.117 -5.375 8.824 278 HB3 GLU 33 HB1 GLU 33 22.419 -3.892 9.454 279 HG2 GLU 33 HG2 GLU 33 20.180 -4.714 8.890 280 HG3 GLU 33 HG1 GLU 33 20.891 -6.211 8.289 281 H1 GLY 1 HT1 GLY 1 -27.136 5.739 3.445 282 H2 GLY 1 HT2 GLY 1 -25.910 5.572 4.593 283 H3 GLY 1 HT3 GLY 1 -26.564 4.204 3.855 284 HA2 GLY 1 HA1 GLY 1 -25.690 4.890 1.723 285 HA3 GLY 1 HA2 GLY 1 -25.020 6.327 2.483 286 H SER 2 HN SER 2 -23.782 3.970 1.075 287 HA SER 2 HA SER 2 -21.881 3.278 3.213 288 HB2 SER 2 HB2 SER 2 -21.578 1.092 1.958 289 HB3 SER 2 HB1 SER 2 -23.126 1.289 2.782 290 HG SER 2 HG SER 2 -23.712 0.648 0.800 291 H MET 3 HN MET 3 -22.330 4.740 0.236 292 HA MET 3 HA MET 3 -20.162 3.879 -1.300 293 HB2 MET 3 HB2 MET 3 -21.435 6.618 -1.280 294 HB3 MET 3 HB1 MET 3 -20.426 5.965 -2.558 295 HG2 MET 3 HG2 MET 3 -23.070 4.814 -1.716 296 HG3 MET 3 HG1 MET 3 -22.847 5.930 -3.055 297 HE1 MET 3 HE1 MET 3 -21.928 1.448 -2.976 298 HE2 MET 3 HE2 MET 3 -23.100 2.322 -1.993 299 HE3 MET 3 HE3 MET 3 -21.377 2.484 -1.663 300 H LYS 4 HN LYS 4 -20.388 6.773 0.762 301 HA LYS 4 HA LYS 4 -17.677 7.514 0.256 302 HB2 LYS 4 HB2 LYS 4 -19.552 8.507 2.409 303 HB3 LYS 4 HB1 LYS 4 -18.053 9.276 1.911 304 HG2 LYS 4 HG2 LYS 4 -19.040 9.582 -0.354 305 HG3 LYS 4 HG1 LYS 4 -20.564 8.961 0.284 306 HD2 LYS 4 HD2 LYS 4 -20.875 11.237 0.495 307 HD3 LYS 4 HD1 LYS 4 -20.243 10.822 2.087 308 HE2 LYS 4 HE2 LYS 4 -18.603 11.902 -0.206 309 HE3 LYS 4 HE1 LYS 4 -19.221 12.864 1.132 310 HZ1 LYS 4 HZ1 LYS 4 -17.243 10.658 1.305 311 HZ2 LYS 4 HZ2 LYS 4 -17.899 11.458 2.642 312 HZ3 LYS 4 HZ3 LYS 4 -16.947 12.306 1.535 313 H GLN 5 HN GLN 5 -19.139 5.359 2.421 314 HA GLN 5 HA GLN 5 -17.171 5.670 4.527 315 HB2 GLN 5 HB2 GLN 5 -19.541 3.810 4.261 316 HB3 GLN 5 HB1 GLN 5 -18.490 3.892 5.667 317 HG2 GLN 5 HG2 GLN 5 -19.151 6.196 6.054 318 HG3 GLN 5 HG1 GLN 5 -20.169 6.154 4.615 319 HE21 GLN 5 HE21 GLN 5 -22.016 6.628 5.802 320 HE22 GLN 5 HE22 GLN 5 -22.770 5.466 6.836 321 H LEU 6 HN LEU 6 -18.297 3.187 2.263 322 HA LEU 6 HA LEU 6 -16.202 1.366 2.801 323 HB2 LEU 6 HB2 LEU 6 -18.172 1.733 0.587 324 HB3 LEU 6 HB1 LEU 6 -16.801 0.685 0.315 325 HG LEU 6 HG LEU 6 -18.904 -0.485 1.011 326 HD11 LEU 6 HD11 LEU 6 -16.606 -0.834 2.932 327 HD12 LEU 6 HD12 LEU 6 -16.657 -1.479 1.293 328 HD13 LEU 6 HD13 LEU 6 -17.821 -2.033 2.495 329 HD21 LEU 6 HD21 LEU 6 -18.338 0.766 3.695 330 HD22 LEU 6 HD22 LEU 6 -19.594 -0.417 3.325 331 HD23 LEU 6 HD23 LEU 6 -19.674 1.202 2.630 332 H GLU 7 HN GLU 7 -16.660 3.933 0.399 333 HA GLU 7 HA GLU 7 -14.148 3.621 -0.847 334 HB2 GLU 7 HB2 GLU 7 -16.057 4.925 -1.782 335 HB3 GLU 7 HB1 GLU 7 -15.741 6.174 -0.586 336 HG2 GLU 7 HG2 GLU 7 -13.570 6.600 -1.538 337 HG3 GLU 7 HG1 GLU 7 -13.769 5.261 -2.668 338 H ASP 8 HN ASP 8 -15.134 5.323 2.097 339 HA ASP 8 HA ASP 8 -12.776 6.770 2.561 340 HB2 ASP 8 HB2 ASP 8 -14.960 5.759 4.233 341 HB3 ASP 8 HB1 ASP 8 -13.422 5.872 5.082 342 H LYS 9 HN LYS 9 -13.543 3.400 3.238 343 HA LYS 9 HA LYS 9 -11.109 2.779 4.546 344 HB2 LYS 9 HB2 LYS 9 -13.062 0.969 3.112 345 HB3 LYS 9 HB1 LYS 9 -11.784 0.431 4.194 346 HG2 LYS 9 HG2 LYS 9 -12.831 1.520 6.063 347 HG3 LYS 9 HG1 LYS 9 -14.049 2.240 5.007 348 HD2 LYS 9 HD2 LYS 9 -14.926 0.046 4.476 349 HD3 LYS 9 HD1 LYS 9 -13.656 -0.717 5.431 350 HE2 LYS 9 HE2 LYS 9 -14.516 0.393 7.443 351 HE3 LYS 9 HE1 LYS 9 -15.800 1.123 6.480 352 HZ1 LYS 9 HZ1 LYS 9 -16.570 -0.842 7.650 353 HZ2 LYS 9 HZ2 LYS 9 -15.394 -1.792 6.889 354 HZ3 LYS 9 HZ3 LYS 9 -16.632 -1.088 5.979 355 H VAL 10 HN VAL 10 -12.201 2.491 1.194 356 HA VAL 10 HA VAL 10 -9.980 1.131 0.156 357 HB VAL 10 HB VAL 10 -11.461 3.259 -1.378 358 HG11 VAL 10 HG11 VAL 10 -9.548 2.282 -2.494 359 HG12 VAL 10 HG12 VAL 10 -11.040 1.766 -3.281 360 HG13 VAL 10 HG13 VAL 10 -10.183 0.661 -2.202 361 HG21 VAL 10 HG21 VAL 10 -13.193 1.740 -1.939 362 HG22 VAL 10 HG22 VAL 10 -13.062 1.738 -0.179 363 HG23 VAL 10 HG23 VAL 10 -12.378 0.413 -1.120 364 H GLU 11 HN GLU 11 -10.655 4.621 0.315 365 HA GLU 11 HA GLU 11 -8.155 5.400 -0.796 366 HB2 GLU 11 HB2 GLU 11 -10.174 6.810 -0.884 367 HB3 GLU 11 HB1 GLU 11 -10.125 6.998 0.862 368 HG2 GLU 11 HG2 GLU 11 -7.994 8.165 0.688 369 HG3 GLU 11 HG1 GLU 11 -8.016 7.953 -1.061 370 H GLU 12 HN GLU 12 -9.121 4.507 2.389 371 HA GLU 12 HA GLU 12 -7.044 5.840 3.813 372 HB2 GLU 12 HB2 GLU 12 -9.155 4.965 4.859 373 HB3 GLU 12 HB1 GLU 12 -8.536 3.338 4.626 374 HG2 GLU 12 HG2 GLU 12 -8.176 4.074 6.899 375 HG3 GLU 12 HG1 GLU 12 -6.636 3.853 6.071 376 H LEU 13 HN LEU 13 -7.479 2.625 2.427 377 HA LEU 13 HA LEU 13 -4.809 1.799 3.007 378 HB2 LEU 13 HB2 LEU 13 -6.795 0.770 0.986 379 HB3 LEU 13 HB1 LEU 13 -5.265 -0.001 1.358 380 HG LEU 13 HG LEU 13 -7.626 0.327 3.208 381 HD11 LEU 13 HD11 LEU 13 -6.278 -2.118 2.083 382 HD12 LEU 13 HD12 LEU 13 -7.814 -1.448 1.537 383 HD13 LEU 13 HD13 LEU 13 -7.667 -2.095 3.171 384 HD21 LEU 13 HD21 LEU 13 -6.296 -0.923 4.851 385 HD22 LEU 13 HD22 LEU 13 -5.580 0.645 4.480 386 HD23 LEU 13 HD23 LEU 13 -4.897 -0.824 3.782 387 H LEU 14 HN LEU 14 -6.318 3.686 0.552 388 HA LEU 14 HA LEU 14 -4.330 3.510 -1.452 389 HB2 LEU 14 HB2 LEU 14 -6.707 4.374 -1.663 390 HB3 LEU 14 HB1 LEU 14 -6.146 5.845 -0.900 391 HG LEU 14 HG LEU 14 -4.496 6.100 -2.788 392 HD11 LEU 14 HD11 LEU 14 -4.488 3.775 -3.539 393 HD12 LEU 14 HD12 LEU 14 -4.942 4.873 -4.843 394 HD13 LEU 14 HD13 LEU 14 -6.180 3.926 -4.018 395 HD21 LEU 14 HD21 LEU 14 -7.429 6.075 -3.491 396 HD22 LEU 14 HD22 LEU 14 -6.169 6.964 -4.346 397 HD23 LEU 14 HD23 LEU 14 -6.568 7.383 -2.680 398 H SER 15 HN SER 15 -4.765 5.572 1.360 399 HA SER 15 HA SER 15 -2.719 7.417 0.620 400 HB2 SER 15 HB2 SER 15 -2.992 8.186 3.045 401 HB3 SER 15 HB1 SER 15 -4.407 8.318 2.003 402 HG SER 15 HG SER 15 -5.363 7.189 3.482 403 H LYS 16 HN LYS 16 -2.857 4.549 2.702 404 HA LYS 16 HA LYS 16 -0.100 4.844 3.446 405 HB2 LYS 16 HB2 LYS 16 -0.211 2.565 4.307 406 HB3 LYS 16 HB1 LYS 16 -1.547 3.541 4.906 407 HG2 LYS 16 HG2 LYS 16 -3.051 2.490 3.332 408 HG3 LYS 16 HG1 LYS 16 -1.719 1.572 2.637 409 HD2 LYS 16 HD2 LYS 16 -2.716 1.355 5.477 410 HD3 LYS 16 HD1 LYS 16 -3.069 0.219 4.179 411 HE2 LYS 16 HE2 LYS 16 -1.309 -0.882 5.112 412 HE3 LYS 16 HE1 LYS 16 -0.410 0.180 4.033 413 HZ1 LYS 16 HZ1 LYS 16 -0.056 1.707 5.863 414 HZ2 LYS 16 HZ2 LYS 16 0.513 0.171 6.275 415 HZ3 LYS 16 HZ3 LYS 16 -0.955 0.724 6.902 416 H ASN 17 HN ASN 17 -1.860 3.183 0.887 417 HA ASN 17 HA ASN 17 0.258 1.847 -0.350 418 HB2 ASN 17 HB2 ASN 17 -2.325 2.995 -1.244 419 HB3 ASN 17 HB1 ASN 17 -1.119 2.752 -2.503 420 HD21 ASN 17 HD21 ASN 17 -3.717 1.410 -1.772 421 HD22 ASN 17 HD22 ASN 17 -3.325 -0.273 -1.727 422 H TYR 18 HN TYR 18 -0.747 5.244 -0.501 423 HA TYR 18 HA TYR 18 1.265 6.113 -2.286 424 HB2 TYR 18 HB2 TYR 18 -0.606 7.556 -1.698 425 HB3 TYR 18 HB1 TYR 18 -0.093 7.588 -0.015 426 HD1 TYR 18 HD1 TYR 18 1.525 9.139 0.736 427 HD2 TYR 18 HD2 TYR 18 0.836 8.675 -3.436 428 HE1 TYR 18 HE1 TYR 18 2.884 11.138 0.295 429 HE2 TYR 18 HE2 TYR 18 2.192 10.674 -3.887 430 HH TYR 18 HH TYR 18 4.215 12.082 -1.589 431 H HIS 19 HN HIS 19 1.193 5.897 1.240 432 HA HIS 19 HA HIS 19 3.732 6.939 1.770 433 HB2 HIS 19 HB2 HIS 19 2.046 6.665 3.506 434 HB3 HIS 19 HB1 HIS 19 2.103 4.917 3.324 435 HD1 HIS 19 HD1 HIS 19 3.318 3.880 5.194 436 HD2 HIS 19 HD2 HIS 19 4.920 7.585 4.193 437 HE1 HIS 19 HE1 HIS 19 5.233 4.239 6.780 438 HE2 HIS 19 HE2 HIS 19 6.095 6.546 6.250 439 H LEU 20 HN LEU 20 2.729 3.529 1.493 440 HA LEU 20 HA LEU 20 5.247 2.367 1.891 441 HB2 LEU 20 HB2 LEU 20 3.117 1.281 0.066 442 HB3 LEU 20 HB1 LEU 20 4.341 0.363 0.909 443 HG LEU 20 HG LEU 20 1.903 1.669 2.014 444 HD11 LEU 20 HD11 LEU 20 1.530 -0.487 1.071 445 HD12 LEU 20 HD12 LEU 20 1.429 -0.598 2.827 446 HD13 LEU 20 HD13 LEU 20 2.875 -1.162 1.988 447 HD21 LEU 20 HD21 LEU 20 4.202 0.475 3.558 448 HD22 LEU 20 HD22 LEU 20 2.643 0.924 4.251 449 HD23 LEU 20 HD23 LEU 20 3.696 2.165 3.574 450 H GLU 21 HN GLU 21 3.538 3.123 -1.107 451 HA GLU 21 HA GLU 21 5.458 2.336 -2.946 452 HB2 GLU 21 HB2 GLU 21 3.151 4.129 -2.956 453 HB3 GLU 21 HB1 GLU 21 4.390 4.594 -4.113 454 HG2 GLU 21 HG2 GLU 21 4.266 2.491 -5.208 455 HG3 GLU 21 HG1 GLU 21 3.244 1.823 -3.941 456 H ASN 22 HN ASN 22 5.152 5.465 -1.307 457 HA ASN 22 HA ASN 22 7.398 6.642 -2.584 458 HB2 ASN 22 HB2 ASN 22 5.820 7.316 -0.118 459 HB3 ASN 22 HB1 ASN 22 7.300 8.188 -0.494 460 HD21 ASN 22 HD21 ASN 22 5.188 6.958 -2.976 461 HD22 ASN 22 HD22 ASN 22 4.601 8.493 -3.512 462 H GLU 23 HN GLU 23 6.988 4.739 0.357 463 HA GLU 23 HA GLU 23 9.624 5.128 1.339 464 HB2 GLU 23 HB2 GLU 23 7.655 2.880 1.778 465 HB3 GLU 23 HB1 GLU 23 9.196 2.999 2.615 466 HG2 GLU 23 HG2 GLU 23 6.963 5.012 2.744 467 HG3 GLU 23 HG1 GLU 23 7.362 3.824 3.982 468 H VAL 24 HN VAL 24 8.184 2.599 -0.703 469 HA VAL 24 HA VAL 24 10.506 1.046 -1.019 470 HB VAL 24 HB VAL 24 8.337 1.402 -3.104 471 HG11 VAL 24 HG11 VAL 24 8.967 -0.859 -3.790 472 HG12 VAL 24 HG12 VAL 24 10.227 -0.881 -2.555 473 HG13 VAL 24 HG13 VAL 24 10.332 0.252 -3.904 474 HG21 VAL 24 HG21 VAL 24 7.223 -0.518 -2.098 475 HG22 VAL 24 HG22 VAL 24 7.331 0.823 -0.957 476 HG23 VAL 24 HG23 VAL 24 8.427 -0.553 -0.810 477 H ALA 25 HN ALA 25 9.201 3.738 -2.912 478 HA ALA 25 HA ALA 25 11.023 3.706 -5.022 479 HB1 ALA 25 HB1 ALA 25 10.335 6.013 -5.432 480 HB2 ALA 25 HB2 ALA 25 9.628 6.100 -3.820 481 HB3 ALA 25 HB3 ALA 25 8.940 5.010 -5.025 482 H ARG 26 HN ARG 26 11.172 5.455 -1.932 483 HA ARG 26 HA ARG 26 13.615 6.774 -2.473 484 HB2 ARG 26 HB2 ARG 26 12.273 6.078 0.140 485 HB3 ARG 26 HB1 ARG 26 13.718 7.071 0.022 486 HG2 ARG 26 HG2 ARG 26 11.090 7.731 -1.292 487 HG3 ARG 26 HG1 ARG 26 11.614 8.360 0.270 488 HD2 ARG 26 HD2 ARG 26 12.105 10.025 -1.355 489 HD3 ARG 26 HD1 ARG 26 13.636 9.291 -0.890 490 HE ARG 26 HE ARG 26 12.349 8.214 -3.266 491 HH11 ARG 26 HH11 ARG 26 14.739 10.414 -1.950 492 HH12 ARG 26 HH12 ARG 26 15.643 10.517 -3.429 493 HH21 ARG 26 HH21 ARG 26 13.551 8.343 -5.209 494 HH22 ARG 26 HH22 ARG 26 14.963 9.347 -5.276 495 H LEU 27 HN LEU 27 12.878 3.806 -0.666 496 HA LEU 27 HA LEU 27 15.517 3.181 0.055 497 HB2 LEU 27 HB2 LEU 27 12.960 1.694 -0.143 498 HB3 LEU 27 HB1 LEU 27 14.428 0.751 -0.079 499 HG LEU 27 HG LEU 27 14.957 1.485 2.093 500 HD11 LEU 27 HD11 LEU 27 12.789 3.566 1.849 501 HD12 LEU 27 HD12 LEU 27 14.526 3.875 1.797 502 HD13 LEU 27 HD13 LEU 27 13.785 3.256 3.273 503 HD21 LEU 27 HD21 LEU 27 13.217 -0.142 2.133 504 HD22 LEU 27 HD22 LEU 27 11.990 1.090 1.846 505 HD23 LEU 27 HD23 LEU 27 12.870 1.064 3.373 506 H LYS 28 HN LYS 28 13.644 2.400 -2.834 507 HA LYS 28 HA LYS 28 15.454 0.629 -4.032 508 HB2 LYS 28 HB2 LYS 28 13.269 2.391 -5.034 509 HB3 LYS 28 HB1 LYS 28 14.394 1.735 -6.213 510 HG2 LYS 28 HG2 LYS 28 12.804 0.092 -4.257 511 HG3 LYS 28 HG1 LYS 28 12.360 0.376 -5.939 512 HD2 LYS 28 HD2 LYS 28 14.459 -0.673 -6.662 513 HD3 LYS 28 HD1 LYS 28 14.879 -0.980 -4.977 514 HE2 LYS 28 HE2 LYS 28 12.963 -2.427 -4.723 515 HE3 LYS 28 HE1 LYS 28 12.428 -2.054 -6.362 516 HZ1 LYS 28 HZ1 LYS 28 13.555 -4.178 -6.282 517 HZ2 LYS 28 HZ2 LYS 28 14.941 -3.458 -5.633 518 HZ3 LYS 28 HZ3 LYS 28 14.454 -3.083 -7.205 519 H LYS 29 HN LYS 29 15.471 4.111 -3.799 520 HA LYS 29 HA LYS 29 17.451 4.539 -5.806 521 HB2 LYS 29 HB2 LYS 29 16.006 6.357 -5.173 522 HB3 LYS 29 HB1 LYS 29 16.509 6.239 -3.494 523 HG2 LYS 29 HG2 LYS 29 17.520 8.154 -4.599 524 HG3 LYS 29 HG1 LYS 29 18.742 6.986 -4.090 525 HD2 LYS 29 HD2 LYS 29 18.898 6.129 -6.362 526 HD3 LYS 29 HD1 LYS 29 17.630 7.248 -6.885 527 HE2 LYS 29 HE2 LYS 29 19.873 8.066 -7.457 528 HE3 LYS 29 HE1 LYS 29 19.048 9.142 -6.332 529 HZ1 LYS 29 HZ1 LYS 29 21.129 7.135 -5.617 530 HZ2 LYS 29 HZ2 LYS 29 20.321 8.149 -4.523 531 HZ3 LYS 29 HZ3 LYS 29 21.340 8.815 -5.694 532 H LEU 30 HN LEU 30 17.527 3.893 -2.365 533 HA LEU 30 HA LEU 30 20.324 4.488 -2.086 534 HB2 LEU 30 HB2 LEU 30 18.231 3.372 -0.259 535 HB3 LEU 30 HB1 LEU 30 19.924 3.275 0.183 536 HG LEU 30 HG LEU 30 20.043 5.774 -0.075 537 HD11 LEU 30 HD11 LEU 30 17.045 5.549 -0.170 538 HD12 LEU 30 HD12 LEU 30 18.087 6.099 -1.481 539 HD13 LEU 30 HD13 LEU 30 17.969 7.041 0.005 540 HD21 LEU 30 HD21 LEU 30 19.907 4.743 2.107 541 HD22 LEU 30 HD22 LEU 30 18.151 4.662 1.984 542 HD23 LEU 30 HD23 LEU 30 18.956 6.227 2.076 543 H VAL 31 HN VAL 31 18.353 1.556 -2.312 544 HA VAL 31 HA VAL 31 20.626 -0.200 -2.224 545 HB VAL 31 HB VAL 31 17.854 -0.757 -3.311 546 HG11 VAL 31 HG11 VAL 31 18.397 -3.108 -2.900 547 HG12 VAL 31 HG12 VAL 31 20.018 -2.642 -2.382 548 HG13 VAL 31 HG13 VAL 31 19.517 -2.379 -4.052 549 HG21 VAL 31 HG21 VAL 31 17.396 -1.763 -1.111 550 HG22 VAL 31 HG22 VAL 31 17.712 -0.031 -1.002 551 HG23 VAL 31 HG23 VAL 31 18.961 -1.186 -0.538 552 H GLY 32 HN GLY 32 18.985 1.681 -4.565 553 HA2 GLY 32 HA2 GLY 32 19.842 0.294 -6.902 554 HA3 GLY 32 HA1 GLY 32 19.135 1.904 -6.824 555 H GLU 33 HN GLU 33 20.744 3.519 -5.664 556 HA GLU 33 HA GLU 33 23.492 3.109 -6.398 557 HB2 GLU 33 HB2 GLU 33 23.486 5.129 -7.939 558 HB3 GLU 33 HB1 GLU 33 22.795 3.649 -8.584 559 HG2 GLU 33 HG2 GLU 33 20.549 4.497 -8.115 560 HG3 GLU 33 HG1 GLU 33 21.250 5.987 -7.482 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 -22.512 -3.683 -7.564 2 H2 GLY 1 HT2 GLY 1 -22.975 -2.124 -8.023 3 H3 GLY 1 HT3 GLY 1 -24.114 -3.371 -7.996 4 HA2 GLY 1 HA1 GLY 1 -24.401 -1.940 -6.087 5 HA3 GLY 1 HA2 GLY 1 -23.910 -3.557 -5.602 6 H SER 2 HN SER 2 -23.399 -2.057 -3.655 7 HA SER 2 HA SER 2 -20.852 -0.687 -3.982 8 HB2 SER 2 HB2 SER 2 -21.380 -0.070 -1.506 9 HB3 SER 2 HB1 SER 2 -22.328 0.670 -2.802 10 HG SER 2 HG SER 2 -23.922 -0.084 -1.631 11 H MET 3 HN MET 3 -22.214 -2.900 -1.526 12 HA MET 3 HA MET 3 -20.059 -3.241 0.042 13 HB2 MET 3 HB2 MET 3 -22.102 -5.318 -0.710 14 HB3 MET 3 HB1 MET 3 -20.892 -5.585 0.539 15 HG2 MET 3 HG2 MET 3 -22.861 -4.926 1.637 16 HG3 MET 3 HG1 MET 3 -21.772 -3.544 1.692 17 HE1 MET 3 HE1 MET 3 -24.896 -3.343 2.321 18 HE2 MET 3 HE2 MET 3 -25.268 -1.837 1.482 19 HE3 MET 3 HE3 MET 3 -23.763 -1.993 2.388 20 H LYS 4 HN LYS 4 -20.630 -5.455 -2.745 21 HA LYS 4 HA LYS 4 -18.241 -6.892 -2.015 22 HB2 LYS 4 HB2 LYS 4 -20.214 -7.240 -4.257 23 HB3 LYS 4 HB1 LYS 4 -18.740 -8.191 -4.151 24 HG2 LYS 4 HG2 LYS 4 -20.345 -9.555 -3.180 25 HG3 LYS 4 HG1 LYS 4 -19.538 -8.818 -1.799 26 HD2 LYS 4 HD2 LYS 4 -21.866 -8.743 -1.348 27 HD3 LYS 4 HD1 LYS 4 -21.382 -7.102 -1.777 28 HE2 LYS 4 HE2 LYS 4 -23.482 -7.687 -2.849 29 HE3 LYS 4 HE1 LYS 4 -22.216 -7.454 -4.050 30 HZ1 LYS 4 HZ1 LYS 4 -23.557 -9.397 -4.540 31 HZ2 LYS 4 HZ2 LYS 4 -23.175 -10.074 -3.039 32 HZ3 LYS 4 HZ3 LYS 4 -21.964 -9.851 -4.198 33 H GLN 5 HN GLN 5 -18.833 -4.194 -3.931 34 HA GLN 5 HA GLN 5 -16.608 -4.777 -5.738 35 HB2 GLN 5 HB2 GLN 5 -18.870 -2.794 -5.903 36 HB3 GLN 5 HB1 GLN 5 -17.444 -2.655 -6.922 37 HG2 GLN 5 HG2 GLN 5 -19.098 -3.764 -8.193 38 HG3 GLN 5 HG1 GLN 5 -17.900 -4.972 -7.740 39 HE21 GLN 5 HE21 GLN 5 -20.390 -3.686 -5.629 40 HE22 GLN 5 HE22 GLN 5 -21.273 -5.166 -5.468 41 H LEU 6 HN LEU 6 -17.856 -2.370 -3.495 42 HA LEU 6 HA LEU 6 -15.556 -0.707 -3.598 43 HB2 LEU 6 HB2 LEU 6 -17.568 -0.998 -1.366 44 HB3 LEU 6 HB1 LEU 6 -16.443 0.328 -1.573 45 HG LEU 6 HG LEU 6 -18.800 -0.337 -3.335 46 HD11 LEU 6 HD11 LEU 6 -19.369 0.754 -1.232 47 HD12 LEU 6 HD12 LEU 6 -19.653 1.814 -2.611 48 HD13 LEU 6 HD13 LEU 6 -18.231 2.050 -1.596 49 HD21 LEU 6 HD21 LEU 6 -16.731 1.834 -3.656 50 HD22 LEU 6 HD22 LEU 6 -18.204 1.667 -4.610 51 HD23 LEU 6 HD23 LEU 6 -16.946 0.437 -4.710 52 H GLU 7 HN GLU 7 -16.646 -3.287 -1.376 53 HA GLU 7 HA GLU 7 -14.305 -3.240 0.214 54 HB2 GLU 7 HB2 GLU 7 -16.295 -5.449 -0.282 55 HB3 GLU 7 HB1 GLU 7 -14.967 -5.583 0.861 56 HG2 GLU 7 HG2 GLU 7 -15.857 -3.641 2.082 57 HG3 GLU 7 HG1 GLU 7 -17.216 -3.589 0.961 58 H ASP 8 HN ASP 8 -15.092 -4.932 -2.816 59 HA ASP 8 HA ASP 8 -12.796 -6.531 -2.963 60 HB2 ASP 8 HB2 ASP 8 -14.718 -5.445 -4.892 61 HB3 ASP 8 HB1 ASP 8 -13.111 -5.700 -5.567 62 H LYS 9 HN LYS 9 -13.253 -3.150 -3.933 63 HA LYS 9 HA LYS 9 -10.682 -2.702 -4.952 64 HB2 LYS 9 HB2 LYS 9 -12.518 -0.737 -3.569 65 HB3 LYS 9 HB1 LYS 9 -11.131 -0.310 -4.558 66 HG2 LYS 9 HG2 LYS 9 -12.210 -1.284 -6.513 67 HG3 LYS 9 HG1 LYS 9 -13.597 -1.746 -5.521 68 HD2 LYS 9 HD2 LYS 9 -13.983 0.623 -4.993 69 HD3 LYS 9 HD1 LYS 9 -12.618 1.065 -6.018 70 HE2 LYS 9 HE2 LYS 9 -13.784 0.013 -7.936 71 HE3 LYS 9 HE1 LYS 9 -15.170 -0.281 -6.888 72 HZ1 LYS 9 HZ1 LYS 9 -14.044 2.368 -7.610 73 HZ2 LYS 9 HZ2 LYS 9 -15.317 2.127 -6.527 74 HZ3 LYS 9 HZ3 LYS 9 -15.507 1.717 -8.156 75 H VAL 10 HN VAL 10 -11.963 -2.318 -1.672 76 HA VAL 10 HA VAL 10 -9.747 -1.113 -0.478 77 HB VAL 10 HB VAL 10 -11.417 -3.152 0.965 78 HG11 VAL 10 HG11 VAL 10 -11.076 -1.660 2.871 79 HG12 VAL 10 HG12 VAL 10 -10.139 -0.575 1.840 80 HG13 VAL 10 HG13 VAL 10 -9.546 -2.204 2.182 81 HG21 VAL 10 HG21 VAL 10 -13.127 -1.570 1.402 82 HG22 VAL 10 HG22 VAL 10 -12.897 -1.618 -0.347 83 HG23 VAL 10 HG23 VAL 10 -12.227 -0.288 0.599 84 H GLU 11 HN GLU 11 -10.599 -4.563 -0.647 85 HA GLU 11 HA GLU 11 -8.295 -5.421 0.789 86 HB2 GLU 11 HB2 GLU 11 -10.611 -6.582 0.360 87 HB3 GLU 11 HB1 GLU 11 -9.835 -7.201 -1.086 88 HG2 GLU 11 HG2 GLU 11 -8.728 -7.585 1.682 89 HG3 GLU 11 HG1 GLU 11 -9.823 -8.723 0.905 90 H GLU 12 HN GLU 12 -8.968 -4.899 -2.627 91 HA GLU 12 HA GLU 12 -6.705 -6.251 -3.647 92 HB2 GLU 12 HB2 GLU 12 -8.330 -3.956 -4.730 93 HB3 GLU 12 HB1 GLU 12 -6.979 -4.656 -5.608 94 HG2 GLU 12 HG2 GLU 12 -8.090 -6.814 -5.634 95 HG3 GLU 12 HG1 GLU 12 -9.437 -6.140 -4.716 96 H LEU 13 HN LEU 13 -7.234 -2.886 -2.660 97 HA LEU 13 HA LEU 13 -4.531 -2.099 -3.065 98 HB2 LEU 13 HB2 LEU 13 -6.673 -0.930 -1.290 99 HB3 LEU 13 HB1 LEU 13 -5.114 -0.183 -1.580 100 HG LEU 13 HG LEU 13 -7.272 -0.671 -3.630 101 HD11 LEU 13 HD11 LEU 13 -7.722 1.162 -2.078 102 HD12 LEU 13 HD12 LEU 13 -7.411 1.748 -3.712 103 HD13 LEU 13 HD13 LEU 13 -6.160 1.878 -2.475 104 HD21 LEU 13 HD21 LEU 13 -5.116 -0.953 -4.673 105 HD22 LEU 13 HD22 LEU 13 -4.523 0.531 -3.930 106 HD23 LEU 13 HD23 LEU 13 -5.793 0.603 -5.151 107 H LEU 14 HN LEU 14 -6.244 -3.717 -0.533 108 HA LEU 14 HA LEU 14 -4.327 -3.452 1.529 109 HB2 LEU 14 HB2 LEU 14 -6.758 -4.327 1.613 110 HB3 LEU 14 HB1 LEU 14 -6.074 -5.859 1.116 111 HG LEU 14 HG LEU 14 -4.596 -5.772 3.148 112 HD11 LEU 14 HD11 LEU 14 -4.716 -3.372 3.569 113 HD12 LEU 14 HD12 LEU 14 -5.264 -4.294 4.969 114 HD13 LEU 14 HD13 LEU 14 -6.443 -3.521 3.910 115 HD21 LEU 14 HD21 LEU 14 -6.374 -6.474 4.678 116 HD22 LEU 14 HD22 LEU 14 -6.591 -7.158 3.068 117 HD23 LEU 14 HD23 LEU 14 -7.578 -5.790 3.585 118 H SER 15 HN SER 15 -4.745 -5.698 -1.125 119 HA SER 15 HA SER 15 -2.646 -7.468 -0.420 120 HB2 SER 15 HB2 SER 15 -3.839 -6.936 -3.156 121 HB3 SER 15 HB1 SER 15 -2.899 -8.352 -2.684 122 HG SER 15 HG SER 15 -5.488 -8.070 -2.533 123 H LYS 16 HN LYS 16 -2.886 -4.577 -2.442 124 HA LYS 16 HA LYS 16 -0.161 -4.574 -3.218 125 HB2 LYS 16 HB2 LYS 16 -2.183 -2.336 -3.034 126 HB3 LYS 16 HB1 LYS 16 -0.523 -2.101 -3.576 127 HG2 LYS 16 HG2 LYS 16 -0.860 -3.481 -5.473 128 HG3 LYS 16 HG1 LYS 16 -2.406 -4.062 -4.861 129 HD2 LYS 16 HD2 LYS 16 -2.655 -2.401 -6.673 130 HD3 LYS 16 HD1 LYS 16 -3.396 -1.882 -5.164 131 HE2 LYS 16 HE2 LYS 16 -2.142 -0.095 -6.362 132 HE3 LYS 16 HE1 LYS 16 -1.597 -0.372 -4.710 133 HZ1 LYS 16 HZ1 LYS 16 -0.290 -1.371 -7.189 134 HZ2 LYS 16 HZ2 LYS 16 0.237 -1.705 -5.618 135 HZ3 LYS 16 HZ3 LYS 16 0.271 -0.118 -6.202 136 H ASN 17 HN ASN 17 -1.909 -3.232 -0.442 137 HA ASN 17 HA ASN 17 0.236 -1.906 0.775 138 HB2 ASN 17 HB2 ASN 17 -2.335 -3.051 1.723 139 HB3 ASN 17 HB1 ASN 17 -1.097 -2.786 2.945 140 HD21 ASN 17 HD21 ASN 17 -3.263 -1.302 0.692 141 HD22 ASN 17 HD22 ASN 17 -3.066 0.319 1.267 142 H TYR 18 HN TYR 18 -0.803 -5.283 0.853 143 HA TYR 18 HA TYR 18 1.177 -6.222 2.622 144 HB2 TYR 18 HB2 TYR 18 -0.727 -7.595 1.885 145 HB3 TYR 18 HB1 TYR 18 -0.073 -7.636 0.253 146 HD1 TYR 18 HD1 TYR 18 0.448 -8.791 3.719 147 HD2 TYR 18 HD2 TYR 18 1.656 -9.167 -0.341 148 HE1 TYR 18 HE1 TYR 18 1.707 -10.826 4.286 149 HE2 TYR 18 HE2 TYR 18 2.916 -11.201 0.215 150 HH TYR 18 HH TYR 18 2.615 -12.767 3.278 151 H HIS 19 HN HIS 19 1.177 -6.043 -0.922 152 HA HIS 19 HA HIS 19 3.750 -7.055 -1.343 153 HB2 HIS 19 HB2 HIS 19 2.076 -6.876 -3.119 154 HB3 HIS 19 HB1 HIS 19 2.161 -5.121 -3.041 155 HD1 HIS 19 HD1 HIS 19 3.412 -4.245 -4.967 156 HD2 HIS 19 HD2 HIS 19 4.969 -7.867 -3.652 157 HE1 HIS 19 HE1 HIS 19 5.370 -4.721 -6.467 158 HE2 HIS 19 HE2 HIS 19 6.201 -6.989 -5.747 159 H LEU 20 HN LEU 20 2.685 -3.647 -1.255 160 HA LEU 20 HA LEU 20 5.204 -2.487 -1.676 161 HB2 LEU 20 HB2 LEU 20 2.985 -1.334 -0.003 162 HB3 LEU 20 HB1 LEU 20 4.251 -0.433 -0.805 163 HG LEU 20 HG LEU 20 1.916 -1.832 -2.002 164 HD11 LEU 20 HD11 LEU 20 1.444 0.374 -2.948 165 HD12 LEU 20 HD12 LEU 20 2.850 1.013 -2.092 166 HD13 LEU 20 HD13 LEU 20 1.477 0.376 -1.186 167 HD21 LEU 20 HD21 LEU 20 2.789 -1.193 -4.222 168 HD22 LEU 20 HD22 LEU 20 3.806 -2.384 -3.411 169 HD23 LEU 20 HD23 LEU 20 4.295 -0.690 -3.452 170 H GLU 21 HN GLU 21 3.428 -2.930 1.361 171 HA GLU 21 HA GLU 21 5.425 -1.895 3.034 172 HB2 GLU 21 HB2 GLU 21 2.889 -2.779 3.438 173 HB3 GLU 21 HB1 GLU 21 3.809 -4.076 4.184 174 HG2 GLU 21 HG2 GLU 21 3.984 -1.151 4.874 175 HG3 GLU 21 HG1 GLU 21 3.180 -2.399 5.818 176 H ASN 22 HN ASN 22 4.878 -5.224 1.930 177 HA ASN 22 HA ASN 22 6.983 -6.351 3.475 178 HB2 ASN 22 HB2 ASN 22 5.464 -7.277 1.057 179 HB3 ASN 22 HB1 ASN 22 6.876 -8.167 1.610 180 HD21 ASN 22 HD21 ASN 22 4.659 -6.514 3.762 181 HD22 ASN 22 HD22 ASN 22 3.998 -7.941 4.478 182 H GLU 23 HN GLU 23 6.808 -4.898 0.268 183 HA GLU 23 HA GLU 23 9.468 -5.558 -0.487 184 HB2 GLU 23 HB2 GLU 23 7.659 -4.819 -2.059 185 HB3 GLU 23 HB1 GLU 23 7.834 -3.191 -1.418 186 HG2 GLU 23 HG2 GLU 23 9.027 -3.413 -3.507 187 HG3 GLU 23 HG1 GLU 23 10.156 -3.144 -2.180 188 H VAL 24 HN VAL 24 8.021 -2.746 1.113 189 HA VAL 24 HA VAL 24 10.306 -1.157 1.364 190 HB VAL 24 HB VAL 24 8.086 -1.442 3.412 191 HG11 VAL 24 HG11 VAL 24 10.071 -0.318 4.287 192 HG12 VAL 24 HG12 VAL 24 8.723 0.806 4.117 193 HG13 VAL 24 HG13 VAL 24 10.031 0.811 2.933 194 HG21 VAL 24 HG21 VAL 24 7.055 0.485 2.328 195 HG22 VAL 24 HG22 VAL 24 7.199 -0.871 1.209 196 HG23 VAL 24 HG23 VAL 24 8.325 0.483 1.103 197 H ALA 25 HN ALA 25 8.998 -3.630 3.543 198 HA ALA 25 HA ALA 25 10.926 -3.449 5.552 199 HB1 ALA 25 HB1 ALA 25 8.803 -4.635 5.828 200 HB2 ALA 25 HB2 ALA 25 10.168 -5.675 6.239 201 HB3 ALA 25 HB3 ALA 25 9.342 -5.873 4.694 202 H ARG 26 HN ARG 26 10.889 -5.335 2.568 203 HA ARG 26 HA ARG 26 13.236 -6.821 3.108 204 HB2 ARG 26 HB2 ARG 26 11.616 -7.469 1.367 205 HB3 ARG 26 HB1 ARG 26 12.046 -6.041 0.437 206 HG2 ARG 26 HG2 ARG 26 13.142 -7.981 -0.481 207 HG3 ARG 26 HG1 ARG 26 14.342 -6.896 0.223 208 HD2 ARG 26 HD2 ARG 26 14.355 -8.298 2.260 209 HD3 ARG 26 HD1 ARG 26 13.227 -9.402 1.477 210 HE ARG 26 HE ARG 26 15.451 -9.087 -0.190 211 HH11 ARG 26 HH11 ARG 26 14.627 -10.486 2.910 212 HH12 ARG 26 HH12 ARG 26 15.889 -11.672 2.851 213 HH21 ARG 26 HH21 ARG 26 17.105 -10.649 -0.275 214 HH22 ARG 26 HH22 ARG 26 17.294 -11.775 1.030 215 H LEU 27 HN LEU 27 12.685 -3.893 1.164 216 HA LEU 27 HA LEU 27 15.366 -3.407 0.496 217 HB2 LEU 27 HB2 LEU 27 12.874 -1.799 0.577 218 HB3 LEU 27 HB1 LEU 27 14.383 -0.926 0.540 219 HG LEU 27 HG LEU 27 14.947 -1.714 -1.594 220 HD11 LEU 27 HD11 LEU 27 12.727 -3.740 -1.350 221 HD12 LEU 27 HD12 LEU 27 14.454 -4.082 -1.260 222 HD13 LEU 27 HD13 LEU 27 13.750 -3.492 -2.764 223 HD21 LEU 27 HD21 LEU 27 13.185 -0.050 -1.641 224 HD22 LEU 27 HD22 LEU 27 11.965 -1.319 -1.558 225 HD23 LEU 27 HD23 LEU 27 13.005 -1.187 -2.976 226 H LYS 28 HN LYS 28 13.460 -2.503 3.305 227 HA LYS 28 HA LYS 28 15.266 -0.657 4.400 228 HB2 LYS 28 HB2 LYS 28 12.876 -0.938 5.074 229 HB3 LYS 28 HB1 LYS 28 13.328 -2.419 5.902 230 HG2 LYS 28 HG2 LYS 28 13.174 -0.731 7.546 231 HG3 LYS 28 HG1 LYS 28 14.891 -1.047 7.306 232 HD2 LYS 28 HD2 LYS 28 13.642 1.115 5.693 233 HD3 LYS 28 HD1 LYS 28 13.896 1.419 7.408 234 HE2 LYS 28 HE2 LYS 28 16.020 0.602 5.426 235 HE3 LYS 28 HE1 LYS 28 15.771 2.222 6.062 236 HZ1 LYS 28 HZ1 LYS 28 17.551 1.111 7.223 237 HZ2 LYS 28 HZ2 LYS 28 16.532 -0.171 7.644 238 HZ3 LYS 28 HZ3 LYS 28 16.255 1.371 8.278 239 H LYS 29 HN LYS 29 15.214 -4.127 4.395 240 HA LYS 29 HA LYS 29 17.137 -4.419 6.512 241 HB2 LYS 29 HB2 LYS 29 16.172 -6.363 4.411 242 HB3 LYS 29 HB1 LYS 29 17.262 -6.783 5.726 243 HG2 LYS 29 HG2 LYS 29 15.549 -6.183 7.351 244 HG3 LYS 29 HG1 LYS 29 14.454 -5.741 6.036 245 HD2 LYS 29 HD2 LYS 29 14.493 -8.038 5.219 246 HD3 LYS 29 HD1 LYS 29 15.620 -8.483 6.512 247 HE2 LYS 29 HE2 LYS 29 13.321 -9.122 7.059 248 HE3 LYS 29 HE1 LYS 29 13.946 -7.918 8.184 249 HZ1 LYS 29 HZ1 LYS 29 12.155 -7.360 5.885 250 HZ2 LYS 29 HZ2 LYS 29 12.736 -6.212 6.983 251 HZ3 LYS 29 HZ3 LYS 29 11.678 -7.426 7.506 252 H LEU 30 HN LEU 30 17.214 -4.179 3.019 253 HA LEU 30 HA LEU 30 20.004 -4.715 2.766 254 HB2 LEU 30 HB2 LEU 30 17.927 -3.512 0.969 255 HB3 LEU 30 HB1 LEU 30 19.622 -3.417 0.533 256 HG LEU 30 HG LEU 30 19.746 -5.897 0.616 257 HD11 LEU 30 HD11 LEU 30 17.689 -7.203 0.632 258 HD12 LEU 30 HD12 LEU 30 16.760 -5.741 0.962 259 HD13 LEU 30 HD13 LEU 30 17.917 -6.338 2.152 260 HD21 LEU 30 HD21 LEU 30 17.664 -4.756 -1.237 261 HD22 LEU 30 HD22 LEU 30 18.521 -6.280 -1.465 262 HD23 LEU 30 HD23 LEU 30 19.409 -4.758 -1.497 263 H VAL 31 HN VAL 31 18.026 -1.837 3.149 264 HA VAL 31 HA VAL 31 20.399 -0.168 3.462 265 HB VAL 31 HB VAL 31 17.543 0.685 3.951 266 HG11 VAL 31 HG11 VAL 31 19.285 2.201 4.746 267 HG12 VAL 31 HG12 VAL 31 18.387 2.907 3.403 268 HG13 VAL 31 HG13 VAL 31 19.996 2.237 3.132 269 HG21 VAL 31 HG21 VAL 31 17.624 -0.280 1.722 270 HG22 VAL 31 HG22 VAL 31 19.026 0.714 1.324 271 HG23 VAL 31 HG23 VAL 31 17.464 1.474 1.630 272 H GLY 32 HN GLY 32 19.921 -2.410 5.188 273 HA2 GLY 32 HA2 GLY 32 19.716 -1.014 7.774 274 HA3 GLY 32 HA1 GLY 32 18.903 -2.551 7.502 275 H GLU 33 HN GLU 33 20.629 -4.126 6.312 276 HA GLU 33 HA GLU 33 23.032 -4.107 8.014 277 HB2 GLU 33 HB2 GLU 33 21.380 -5.870 8.628 278 HB3 GLU 33 HB1 GLU 33 21.523 -6.530 7.006 279 HG2 GLU 33 HG2 GLU 33 22.846 -7.836 8.519 280 HG3 GLU 33 HG1 GLU 33 23.915 -6.959 7.425 281 H1 GLY 1 HT1 GLY 1 -22.760 3.770 6.601 282 H2 GLY 1 HT2 GLY 1 -23.248 2.210 7.027 283 H3 GLY 1 HT3 GLY 1 -24.381 3.464 6.970 284 HA2 GLY 1 HA1 GLY 1 -24.601 2.055 5.034 285 HA3 GLY 1 HA2 GLY 1 -24.081 3.673 4.588 286 H SER 2 HN SER 2 -23.505 2.182 2.648 287 HA SER 2 HA SER 2 -20.982 0.792 3.068 288 HB2 SER 2 HB2 SER 2 -21.410 0.197 0.571 289 HB3 SER 2 HB1 SER 2 -22.418 -0.544 1.818 290 HG SER 2 HG SER 2 -23.965 0.235 0.610 291 H MET 3 HN MET 3 -22.225 3.031 0.570 292 HA MET 3 HA MET 3 -20.004 3.369 -0.900 293 HB2 MET 3 HB2 MET 3 -22.058 5.455 -0.214 294 HB3 MET 3 HB1 MET 3 -20.798 5.722 -1.410 295 HG2 MET 3 HG2 MET 3 -22.725 5.089 -2.595 296 HG3 MET 3 HG1 MET 3 -21.647 3.695 -2.614 297 HE1 MET 3 HE1 MET 3 -24.745 3.529 -3.372 298 HE2 MET 3 HE2 MET 3 -25.164 2.020 -2.559 299 HE3 MET 3 HE3 MET 3 -23.621 2.172 -3.402 300 H LYS 4 HN LYS 4 -20.672 5.566 1.879 301 HA LYS 4 HA LYS 4 -18.243 6.987 1.259 302 HB2 LYS 4 HB2 LYS 4 -20.297 7.337 3.427 303 HB3 LYS 4 HB1 LYS 4 -18.812 8.274 3.385 304 HG2 LYS 4 HG2 LYS 4 -20.366 9.660 2.363 305 HG3 LYS 4 HG1 LYS 4 -19.514 8.925 1.007 306 HD2 LYS 4 HD2 LYS 4 -21.823 8.873 0.471 307 HD3 LYS 4 HD1 LYS 4 -21.370 7.226 0.907 308 HE2 LYS 4 HE2 LYS 4 -23.502 7.815 1.910 309 HE3 LYS 4 HE1 LYS 4 -22.280 7.580 3.157 310 HZ1 LYS 4 HZ1 LYS 4 -23.630 9.530 3.592 311 HZ2 LYS 4 HZ2 LYS 4 -23.189 10.202 2.105 312 HZ3 LYS 4 HZ3 LYS 4 -22.025 9.976 3.309 313 H GLN 5 HN GLN 5 -18.933 4.278 3.125 314 HA GLN 5 HA GLN 5 -16.775 4.830 5.025 315 HB2 GLN 5 HB2 GLN 5 -19.060 2.866 5.090 316 HB3 GLN 5 HB1 GLN 5 -17.675 2.707 6.159 317 HG2 GLN 5 HG2 GLN 5 -19.370 3.826 7.373 318 HG3 GLN 5 HG1 GLN 5 -18.142 5.023 6.976 319 HE21 GLN 5 HE21 GLN 5 -20.552 3.765 4.765 320 HE22 GLN 5 HE22 GLN 5 -21.409 5.254 4.564 321 H LEU 6 HN LEU 6 -17.951 2.452 2.712 322 HA LEU 6 HA LEU 6 -15.674 0.767 2.898 323 HB2 LEU 6 HB2 LEU 6 -17.592 1.090 0.589 324 HB3 LEU 6 HB1 LEU 6 -16.488 -0.248 0.833 325 HG LEU 6 HG LEU 6 -18.909 0.427 2.504 326 HD11 LEU 6 HD11 LEU 6 -19.404 -0.645 0.373 327 HD12 LEU 6 HD12 LEU 6 -19.748 -1.713 1.732 328 HD13 LEU 6 HD13 LEU 6 -18.291 -1.953 0.770 329 HD21 LEU 6 HD21 LEU 6 -16.871 -1.764 2.890 330 HD22 LEU 6 HD22 LEU 6 -18.380 -1.594 3.786 331 HD23 LEU 6 HD23 LEU 6 -17.119 -0.374 3.947 332 H GLU 7 HN GLU 7 -16.649 3.372 0.655 333 HA GLU 7 HA GLU 7 -14.247 3.318 -0.837 334 HB2 GLU 7 HB2 GLU 7 -16.234 5.545 -0.404 335 HB3 GLU 7 HB1 GLU 7 -14.858 5.672 -1.492 336 HG2 GLU 7 HG2 GLU 7 -15.718 3.754 -2.767 337 HG3 GLU 7 HG1 GLU 7 -17.119 3.700 -1.701 338 H ASP 8 HN ASP 8 -15.142 4.993 2.172 339 HA ASP 8 HA ASP 8 -12.839 6.569 2.422 340 HB2 ASP 8 HB2 ASP 8 -14.846 5.495 4.267 341 HB3 ASP 8 HB1 ASP 8 -13.265 5.730 5.006 342 H LYS 9 HN LYS 9 -13.362 3.186 3.335 343 HA LYS 9 HA LYS 9 -10.842 2.709 4.467 344 HB2 LYS 9 HB2 LYS 9 -12.643 0.775 2.995 345 HB3 LYS 9 HB1 LYS 9 -11.298 0.323 4.031 346 HG2 LYS 9 HG2 LYS 9 -12.440 1.291 5.955 347 HG3 LYS 9 HG1 LYS 9 -13.783 1.775 4.916 348 HD2 LYS 9 HD2 LYS 9 -14.171 -0.583 4.348 349 HD3 LYS 9 HD1 LYS 9 -12.851 -1.050 5.421 350 HE2 LYS 9 HE2 LYS 9 -14.081 -0.003 7.302 351 HE3 LYS 9 HE1 LYS 9 -15.425 0.311 6.203 352 HZ1 LYS 9 HZ1 LYS 9 -14.345 -2.350 6.950 353 HZ2 LYS 9 HZ2 LYS 9 -15.563 -2.096 5.809 354 HZ3 LYS 9 HZ3 LYS 9 -15.829 -1.697 7.428 355 H VAL 10 HN VAL 10 -11.988 2.366 1.135 356 HA VAL 10 HA VAL 10 -9.736 1.148 0.020 357 HB VAL 10 HB VAL 10 -11.333 3.212 -1.475 358 HG11 VAL 10 HG11 VAL 10 -10.928 1.727 -3.375 359 HG12 VAL 10 HG12 VAL 10 -10.042 0.627 -2.315 360 HG13 VAL 10 HG13 VAL 10 -9.422 2.252 -2.622 361 HG21 VAL 10 HG21 VAL 10 -13.035 1.646 -1.990 362 HG22 VAL 10 HG22 VAL 10 -12.876 1.679 -0.234 363 HG23 VAL 10 HG23 VAL 10 -12.178 0.351 -1.161 364 H GLU 11 HN GLU 11 -10.569 4.604 0.175 365 HA GLU 11 HA GLU 11 -8.200 5.453 -1.151 366 HB2 GLU 11 HB2 GLU 11 -10.521 6.632 -0.803 367 HB3 GLU 11 HB1 GLU 11 -9.793 7.235 0.675 368 HG2 GLU 11 HG2 GLU 11 -8.574 7.625 -2.046 369 HG3 GLU 11 HG1 GLU 11 -9.692 8.764 -1.308 370 H GLU 12 HN GLU 12 -9.013 4.905 2.230 371 HA GLU 12 HA GLU 12 -6.786 6.236 3.356 372 HB2 GLU 12 HB2 GLU 12 -8.471 3.943 4.352 373 HB3 GLU 12 HB1 GLU 12 -7.149 4.625 5.291 374 HG2 GLU 12 HG2 GLU 12 -8.249 6.792 5.287 375 HG3 GLU 12 HG1 GLU 12 -9.563 6.132 4.315 376 H LEU 13 HN LEU 13 -7.299 2.885 2.313 377 HA LEU 13 HA LEU 13 -4.624 2.068 2.827 378 HB2 LEU 13 HB2 LEU 13 -6.701 0.933 0.956 379 HB3 LEU 13 HB1 LEU 13 -5.163 0.168 1.305 380 HG LEU 13 HG LEU 13 -7.398 0.664 3.270 381 HD11 LEU 13 HD11 LEU 13 -7.800 -1.155 1.685 382 HD12 LEU 13 HD12 LEU 13 -7.560 -1.754 3.327 383 HD13 LEU 13 HD13 LEU 13 -6.261 -1.885 2.140 384 HD21 LEU 13 HD21 LEU 13 -5.285 0.917 4.402 385 HD22 LEU 13 HD22 LEU 13 -4.673 -0.565 3.667 386 HD23 LEU 13 HD23 LEU 13 -5.992 -0.638 4.835 387 H LEU 14 HN LEU 14 -6.216 3.717 0.237 388 HA LEU 14 HA LEU 14 -4.221 3.456 -1.750 389 HB2 LEU 14 HB2 LEU 14 -6.641 4.353 -1.925 390 HB3 LEU 14 HB1 LEU 14 -5.966 5.875 -1.387 391 HG LEU 14 HG LEU 14 -4.404 5.793 -3.355 392 HD11 LEU 14 HD11 LEU 14 -4.525 3.395 -3.801 393 HD12 LEU 14 HD12 LEU 14 -5.011 4.332 -5.215 394 HD13 LEU 14 HD13 LEU 14 -6.236 3.560 -4.208 395 HD21 LEU 14 HD21 LEU 14 -6.111 6.520 -4.954 396 HD22 LEU 14 HD22 LEU 14 -6.391 7.194 -3.347 397 HD23 LEU 14 HD23 LEU 14 -7.365 5.839 -3.918 398 H SER 15 HN SER 15 -4.726 5.687 0.902 399 HA SER 15 HA SER 15 -2.582 7.438 0.299 400 HB2 SER 15 HB2 SER 15 -3.888 6.903 2.980 401 HB3 SER 15 HB1 SER 15 -2.926 8.316 2.547 402 HG SER 15 HG SER 15 -5.503 8.052 2.299 403 H LYS 16 HN LYS 16 -2.931 4.527 2.271 404 HA LYS 16 HA LYS 16 -0.242 4.504 3.173 405 HB2 LYS 16 HB2 LYS 16 -2.275 2.287 2.892 406 HB3 LYS 16 HB1 LYS 16 -0.641 2.031 3.499 407 HG2 LYS 16 HG2 LYS 16 -1.044 3.409 5.389 408 HG3 LYS 16 HG1 LYS 16 -2.561 4.001 4.716 409 HD2 LYS 16 HD2 LYS 16 -2.884 2.330 6.511 410 HD3 LYS 16 HD1 LYS 16 -3.577 1.830 4.971 411 HE2 LYS 16 HE2 LYS 16 -2.384 0.021 6.193 412 HE3 LYS 16 HE1 LYS 16 -1.771 0.312 4.568 413 HZ1 LYS 16 HZ1 LYS 16 -0.551 1.271 7.103 414 HZ2 LYS 16 HZ2 LYS 16 0.037 1.616 5.560 415 HZ3 LYS 16 HZ3 LYS 16 0.036 0.025 6.125 416 H ASN 17 HN ASN 17 -1.886 3.200 0.319 417 HA ASN 17 HA ASN 17 0.292 1.861 -0.819 418 HB2 ASN 17 HB2 ASN 17 -2.226 3.041 -1.861 419 HB3 ASN 17 HB1 ASN 17 -0.942 2.777 -3.034 420 HD21 ASN 17 HD21 ASN 17 -3.210 1.290 -0.886 421 HD22 ASN 17 HD22 ASN 17 -3.003 -0.328 -1.465 422 H TYR 18 HN TYR 18 -0.714 5.248 -0.926 423 HA TYR 18 HA TYR 18 1.346 6.185 -2.595 424 HB2 TYR 18 HB2 TYR 18 -0.578 7.565 -1.925 425 HB3 TYR 18 HB1 TYR 18 0.009 7.587 -0.266 426 HD1 TYR 18 HD1 TYR 18 0.686 8.764 -3.699 427 HD2 TYR 18 HD2 TYR 18 1.720 9.104 0.414 428 HE1 TYR 18 HE1 TYR 18 1.986 10.790 -4.197 429 HE2 TYR 18 HE2 TYR 18 3.023 11.131 -0.075 430 HH TYR 18 HH TYR 18 2.859 12.724 -3.130 431 H HIS 19 HN HIS 19 1.199 5.984 0.947 432 HA HIS 19 HA HIS 19 3.762 6.964 1.478 433 HB2 HIS 19 HB2 HIS 19 2.019 6.788 3.185 434 HB3 HIS 19 HB1 HIS 19 2.086 5.032 3.097 435 HD1 HIS 19 HD1 HIS 19 3.263 4.121 5.061 436 HD2 HIS 19 HD2 HIS 19 4.886 7.750 3.850 437 HE1 HIS 19 HE1 HIS 19 5.161 4.575 6.646 438 HE2 HIS 19 HE2 HIS 19 6.035 6.841 5.980 439 H LEU 20 HN LEU 20 2.671 3.567 1.320 440 HA LEU 20 HA LEU 20 5.162 2.383 1.831 441 HB2 LEU 20 HB2 LEU 20 3.000 1.263 0.061 442 HB3 LEU 20 HB1 LEU 20 4.226 0.345 0.904 443 HG LEU 20 HG LEU 20 1.858 1.757 2.018 444 HD11 LEU 20 HD11 LEU 20 1.329 -0.453 2.930 445 HD12 LEU 20 HD12 LEU 20 2.761 -1.099 2.128 446 HD13 LEU 20 HD13 LEU 20 1.434 -0.444 1.170 447 HD21 LEU 20 HD21 LEU 20 2.637 1.090 4.267 448 HD22 LEU 20 HD22 LEU 20 3.695 2.279 3.508 449 HD23 LEU 20 HD23 LEU 20 4.167 0.580 3.554 450 H GLU 21 HN GLU 21 3.513 2.878 -1.271 451 HA GLU 21 HA GLU 21 5.568 1.826 -2.866 452 HB2 GLU 21 HB2 GLU 21 3.059 2.735 -3.370 453 HB3 GLU 21 HB1 GLU 21 4.018 4.030 -4.069 454 HG2 GLU 21 HG2 GLU 21 4.203 1.107 -4.767 455 HG3 GLU 21 HG1 GLU 21 3.442 2.364 -5.737 456 H ASN 22 HN ASN 22 5.007 5.152 -1.760 457 HA ASN 22 HA ASN 22 7.182 6.274 -3.207 458 HB2 ASN 22 HB2 ASN 22 5.579 7.195 -0.840 459 HB3 ASN 22 HB1 ASN 22 7.016 8.080 -1.338 460 HD21 ASN 22 HD21 ASN 22 4.873 6.445 -3.577 461 HD22 ASN 22 HD22 ASN 22 4.245 7.878 -4.311 462 H GLU 23 HN GLU 23 6.865 4.792 -0.025 463 HA GLU 23 HA GLU 23 9.497 5.418 0.842 464 HB2 GLU 23 HB2 GLU 23 7.618 4.685 2.331 465 HB3 GLU 23 HB1 GLU 23 7.811 3.060 1.687 466 HG2 GLU 23 HG2 GLU 23 8.921 3.256 3.818 467 HG3 GLU 23 HG1 GLU 23 10.104 3.000 2.538 468 H VAL 24 HN VAL 24 8.092 2.635 -0.840 469 HA VAL 24 HA VAL 24 10.373 1.030 -1.012 470 HB VAL 24 HB VAL 24 8.237 1.348 -3.143 471 HG11 VAL 24 HG11 VAL 24 10.246 0.215 -3.948 472 HG12 VAL 24 HG12 VAL 24 8.883 -0.899 -3.838 473 HG13 VAL 24 HG13 VAL 24 10.144 -0.924 -2.604 474 HG21 VAL 24 HG21 VAL 24 7.151 -0.578 -2.117 475 HG22 VAL 24 HG22 VAL 24 7.258 0.767 -0.981 476 HG23 VAL 24 HG23 VAL 24 8.369 -0.598 -0.843 477 H ALA 25 HN ALA 25 9.174 3.534 -3.220 478 HA ALA 25 HA ALA 25 11.182 3.351 -5.152 479 HB1 ALA 25 HB1 ALA 25 9.080 4.557 -5.502 480 HB2 ALA 25 HB2 ALA 25 10.469 5.588 -5.848 481 HB3 ALA 25 HB3 ALA 25 9.584 5.778 -4.336 482 H ARG 26 HN ARG 26 11.036 5.221 -2.158 483 HA ARG 26 HA ARG 26 13.420 6.684 -2.587 484 HB2 ARG 26 HB2 ARG 26 11.733 7.328 -0.908 485 HB3 ARG 26 HB1 ARG 26 12.118 5.889 0.026 486 HG2 ARG 26 HG2 ARG 26 13.186 7.812 1.003 487 HG3 ARG 26 HG1 ARG 26 14.407 6.726 0.339 488 HD2 ARG 26 HD2 ARG 26 14.514 8.145 -1.682 489 HD3 ARG 26 HD1 ARG 26 13.363 9.252 -0.937 490 HE ARG 26 HE ARG 26 15.511 8.905 0.818 491 HH11 ARG 26 HH11 ARG 26 14.842 10.328 -2.305 492 HH12 ARG 26 HH12 ARG 26 16.111 11.502 -2.188 493 HH21 ARG 26 HH21 ARG 26 17.181 10.460 0.986 494 HH22 ARG 26 HH22 ARG 26 17.436 11.585 -0.309 495 H LEU 27 HN LEU 27 12.765 3.750 -0.686 496 HA LEU 27 HA LEU 27 15.411 3.234 0.083 497 HB2 LEU 27 HB2 LEU 27 12.913 1.647 -0.110 498 HB3 LEU 27 HB1 LEU 27 14.412 0.761 -0.019 499 HG LEU 27 HG LEU 27 14.895 1.532 2.141 500 HD11 LEU 27 HD11 LEU 27 12.703 3.578 1.817 501 HD12 LEU 27 HD12 LEU 27 14.436 3.906 1.803 502 HD13 LEU 27 HD13 LEU 27 13.662 3.314 3.273 503 HD21 LEU 27 HD21 LEU 27 13.120 -0.120 2.103 504 HD22 LEU 27 HD22 LEU 27 11.913 1.159 1.981 505 HD23 LEU 27 HD23 LEU 27 12.893 1.008 3.439 506 H LYS 28 HN LYS 28 13.612 2.364 -2.807 507 HA LYS 28 HA LYS 28 15.443 0.507 -3.842 508 HB2 LYS 28 HB2 LYS 28 13.089 0.820 -4.613 509 HB3 LYS 28 HB1 LYS 28 13.589 2.303 -5.410 510 HG2 LYS 28 HG2 LYS 28 13.493 0.629 -7.071 511 HG3 LYS 28 HG1 LYS 28 15.200 0.923 -6.752 512 HD2 LYS 28 HD2 LYS 28 13.863 -1.232 -5.206 513 HD3 LYS 28 HD1 LYS 28 14.175 -1.530 -6.913 514 HE2 LYS 28 HE2 LYS 28 16.235 -0.747 -4.851 515 HE3 LYS 28 HE1 LYS 28 15.993 -2.362 -5.501 516 HZ1 LYS 28 HZ1 LYS 28 17.826 -1.271 -6.590 517 HZ2 LYS 28 HZ2 LYS 28 16.843 0.028 -7.038 518 HZ3 LYS 28 HZ3 LYS 28 16.567 -1.504 -7.697 519 H LYS 29 HN LYS 29 15.421 3.980 -3.817 520 HA LYS 29 HA LYS 29 17.431 4.274 -5.848 521 HB2 LYS 29 HB2 LYS 29 16.397 6.207 -3.770 522 HB3 LYS 29 HB1 LYS 29 17.545 6.630 -5.034 523 HG2 LYS 29 HG2 LYS 29 15.895 6.058 -6.736 524 HG3 LYS 29 HG1 LYS 29 14.743 5.614 -5.472 525 HD2 LYS 29 HD2 LYS 29 14.768 7.905 -4.633 526 HD3 LYS 29 HD1 LYS 29 15.951 8.352 -5.874 527 HE2 LYS 29 HE2 LYS 29 13.683 9.019 -6.510 528 HE3 LYS 29 HE1 LYS 29 14.341 7.817 -7.619 529 HZ1 LYS 29 HZ1 LYS 29 12.441 7.267 -5.403 530 HZ2 LYS 29 HZ2 LYS 29 13.065 6.114 -6.472 531 HZ3 LYS 29 HZ3 LYS 29 12.047 7.336 -7.046 532 H LEU 30 HN LEU 30 17.368 4.007 -2.357 533 HA LEU 30 HA LEU 30 20.148 4.519 -1.985 534 HB2 LEU 30 HB2 LEU 30 17.991 3.319 -0.284 535 HB3 LEU 30 HB1 LEU 30 19.666 3.208 0.218 536 HG LEU 30 HG LEU 30 19.813 5.685 0.158 537 HD11 LEU 30 HD11 LEU 30 17.769 7.009 0.071 538 HD12 LEU 30 HD12 LEU 30 16.843 5.556 -0.309 539 HD13 LEU 30 HD13 LEU 30 18.051 6.156 -1.447 540 HD21 LEU 30 HD21 LEU 30 17.649 4.548 1.914 541 HD22 LEU 30 HD22 LEU 30 18.504 6.064 2.190 542 HD23 LEU 30 HD23 LEU 30 19.381 4.536 2.246 543 H VAL 31 HN VAL 31 18.168 1.657 -2.482 544 HA VAL 31 HA VAL 31 20.543 -0.031 -2.707 545 HB VAL 31 HB VAL 31 17.699 -0.855 -3.318 546 HG11 VAL 31 HG11 VAL 31 19.453 -2.385 -4.055 547 HG12 VAL 31 HG12 VAL 31 18.499 -3.090 -2.751 548 HG13 VAL 31 HG13 VAL 31 20.103 -2.437 -2.416 549 HG21 VAL 31 HG21 VAL 31 17.698 0.092 -1.079 550 HG22 VAL 31 HG22 VAL 31 19.073 -0.917 -0.633 551 HG23 VAL 31 HG23 VAL 31 17.519 -1.661 -1.008 552 H GLY 32 HN GLY 32 20.153 2.230 -4.430 553 HA2 GLY 32 HA2 GLY 32 20.033 0.860 -7.037 554 HA3 GLY 32 HA1 GLY 32 19.221 2.400 -6.780 555 H GLU 33 HN GLU 33 20.909 3.948 -5.508 556 HA GLU 33 HA GLU 33 23.383 3.920 -7.110 557 HB2 GLU 33 HB2 GLU 33 21.771 5.702 -7.789 558 HB3 GLU 33 HB1 GLU 33 21.853 6.353 -6.159 559 HG2 GLU 33 HG2 GLU 33 23.252 7.653 -7.600 560 HG3 GLU 33 HG1 GLU 33 24.265 6.756 -6.471 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 -24.225 -4.059 -6.691 2 H2 GLY 1 HT2 GLY 1 -25.134 -5.321 -6.028 3 H3 GLY 1 HT3 GLY 1 -23.445 -5.410 -6.045 4 HA2 GLY 1 HA1 GLY 1 -25.060 -3.449 -4.515 5 HA3 GLY 1 HA2 GLY 1 -24.255 -4.858 -3.838 6 H SER 2 HN SER 2 -23.512 -2.723 -2.609 7 HA SER 2 HA SER 2 -21.059 -1.758 -3.910 8 HB2 SER 2 HB2 SER 2 -21.252 0.025 -2.015 9 HB3 SER 2 HB1 SER 2 -22.340 0.131 -3.407 10 HG SER 2 HG SER 2 -23.465 0.337 -1.423 11 H MET 3 HN MET 3 -22.344 -3.309 -1.043 12 HA MET 3 HA MET 3 -20.246 -2.789 0.714 13 HB2 MET 3 HB2 MET 3 -22.134 -5.139 0.677 14 HB3 MET 3 HB1 MET 3 -21.099 -4.698 2.029 15 HG2 MET 3 HG2 MET 3 -22.254 -2.494 2.107 16 HG3 MET 3 HG1 MET 3 -23.365 -3.092 0.878 17 HE1 MET 3 HE1 MET 3 -22.112 -3.332 4.526 18 HE2 MET 3 HE2 MET 3 -21.765 -4.977 3.991 19 HE3 MET 3 HE3 MET 3 -23.028 -4.688 5.186 20 H LYS 4 HN LYS 4 -20.747 -5.706 -1.271 21 HA LYS 4 HA LYS 4 -18.260 -6.835 -0.330 22 HB2 LYS 4 HB2 LYS 4 -20.182 -7.826 -2.442 23 HB3 LYS 4 HB1 LYS 4 -18.822 -8.733 -1.796 24 HG2 LYS 4 HG2 LYS 4 -19.878 -8.660 0.433 25 HG3 LYS 4 HG1 LYS 4 -21.267 -7.841 -0.281 26 HD2 LYS 4 HD2 LYS 4 -21.646 -9.761 -1.746 27 HD3 LYS 4 HD1 LYS 4 -20.245 -10.575 -1.047 28 HE2 LYS 4 HE2 LYS 4 -22.274 -11.432 -0.049 29 HE3 LYS 4 HE1 LYS 4 -21.348 -10.535 1.152 30 HZ1 LYS 4 HZ1 LYS 4 -22.814 -8.658 0.852 31 HZ2 LYS 4 HZ2 LYS 4 -23.715 -10.029 1.249 32 HZ3 LYS 4 HZ3 LYS 4 -23.680 -9.476 -0.347 33 H GLN 5 HN GLN 5 -19.076 -4.653 -2.690 34 HA GLN 5 HA GLN 5 -17.137 -5.616 -4.649 35 HB2 GLN 5 HB2 GLN 5 -19.117 -3.335 -4.846 36 HB3 GLN 5 HB1 GLN 5 -18.097 -3.930 -6.149 37 HG2 GLN 5 HG2 GLN 5 -20.202 -5.566 -4.757 38 HG3 GLN 5 HG1 GLN 5 -20.450 -4.692 -6.264 39 HE21 GLN 5 HE21 GLN 5 -20.919 -6.548 -7.399 40 HE22 GLN 5 HE22 GLN 5 -19.707 -7.713 -7.821 41 H LEU 6 HN LEU 6 -17.970 -2.749 -2.756 42 HA LEU 6 HA LEU 6 -15.576 -1.353 -3.426 43 HB2 LEU 6 HB2 LEU 6 -17.396 -0.925 -1.063 44 HB3 LEU 6 HB1 LEU 6 -16.206 0.209 -1.664 45 HG LEU 6 HG LEU 6 -18.824 -0.592 -2.916 46 HD11 LEU 6 HD11 LEU 6 -19.021 1.186 -1.359 47 HD12 LEU 6 HD12 LEU 6 -19.126 1.869 -2.982 48 HD13 LEU 6 HD13 LEU 6 -17.635 2.027 -2.053 49 HD21 LEU 6 HD21 LEU 6 -18.202 0.762 -4.870 50 HD22 LEU 6 HD22 LEU 6 -17.168 -0.654 -4.697 51 HD23 LEU 6 HD23 LEU 6 -16.572 0.937 -4.222 52 H GLU 7 HN GLU 7 -16.632 -3.441 -0.763 53 HA GLU 7 HA GLU 7 -14.243 -3.307 0.724 54 HB2 GLU 7 HB2 GLU 7 -16.333 -4.361 1.552 55 HB3 GLU 7 HB1 GLU 7 -16.081 -5.691 0.431 56 HG2 GLU 7 HG2 GLU 7 -13.948 -6.197 1.561 57 HG3 GLU 7 HG1 GLU 7 -14.287 -4.915 2.720 58 H ASP 8 HN ASP 8 -15.192 -5.296 -2.067 59 HA ASP 8 HA ASP 8 -12.850 -6.871 -2.158 60 HB2 ASP 8 HB2 ASP 8 -14.969 -6.160 -4.101 61 HB3 ASP 8 HB1 ASP 8 -13.437 -6.692 -4.786 62 H LYS 9 HN LYS 9 -13.501 -3.616 -3.257 63 HA LYS 9 HA LYS 9 -11.109 -3.318 -4.769 64 HB2 LYS 9 HB2 LYS 9 -13.057 -1.852 -5.102 65 HB3 LYS 9 HB1 LYS 9 -12.858 -1.211 -3.478 66 HG2 LYS 9 HG2 LYS 9 -11.973 0.368 -5.039 67 HG3 LYS 9 HG1 LYS 9 -10.635 -0.344 -4.139 68 HD2 LYS 9 HD2 LYS 9 -9.958 -0.241 -6.412 69 HD3 LYS 9 HD1 LYS 9 -10.320 -1.931 -6.067 70 HE2 LYS 9 HE2 LYS 9 -11.239 -1.349 -8.215 71 HE3 LYS 9 HE1 LYS 9 -12.558 -1.613 -7.077 72 HZ1 LYS 9 HZ1 LYS 9 -12.954 0.341 -8.418 73 HZ2 LYS 9 HZ2 LYS 9 -11.492 1.026 -7.922 74 HZ3 LYS 9 HZ3 LYS 9 -12.737 0.793 -6.806 75 H VAL 10 HN VAL 10 -12.035 -2.564 -1.436 76 HA VAL 10 HA VAL 10 -9.655 -1.321 -0.614 77 HB VAL 10 HB VAL 10 -11.260 -3.119 1.188 78 HG11 VAL 10 HG11 VAL 10 -10.635 -1.531 2.903 79 HG12 VAL 10 HG12 VAL 10 -9.824 -0.528 1.696 80 HG13 VAL 10 HG13 VAL 10 -9.202 -2.138 2.073 81 HG21 VAL 10 HG21 VAL 10 -11.964 -0.257 0.629 82 HG22 VAL 10 HG22 VAL 10 -12.847 -1.416 1.620 83 HG23 VAL 10 HG23 VAL 10 -12.782 -1.621 -0.131 84 H GLU 11 HN GLU 11 -10.667 -4.719 -0.462 85 HA GLU 11 HA GLU 11 -8.274 -5.671 0.731 86 HB2 GLU 11 HB2 GLU 11 -10.411 -6.888 0.847 87 HB3 GLU 11 HB1 GLU 11 -10.377 -7.138 -0.890 88 HG2 GLU 11 HG2 GLU 11 -9.727 -9.155 0.244 89 HG3 GLU 11 HG1 GLU 11 -8.351 -8.500 -0.641 90 H GLU 12 HN GLU 12 -9.203 -5.025 -2.559 91 HA GLU 12 HA GLU 12 -7.172 -6.523 -3.843 92 HB2 GLU 12 HB2 GLU 12 -9.182 -5.669 -5.010 93 HB3 GLU 12 HB1 GLU 12 -8.584 -4.028 -4.813 94 HG2 GLU 12 HG2 GLU 12 -6.665 -4.530 -6.198 95 HG3 GLU 12 HG1 GLU 12 -7.186 -6.207 -6.347 96 H LEU 13 HN LEU 13 -7.395 -3.198 -2.647 97 HA LEU 13 HA LEU 13 -4.753 -2.458 -3.312 98 HB2 LEU 13 HB2 LEU 13 -6.651 -1.537 -1.174 99 HB3 LEU 13 HB1 LEU 13 -5.011 -0.926 -1.253 100 HG LEU 13 HG LEU 13 -7.099 -0.644 -3.414 101 HD11 LEU 13 HD11 LEU 13 -7.060 1.709 -2.820 102 HD12 LEU 13 HD12 LEU 13 -5.887 1.382 -1.544 103 HD13 LEU 13 HD13 LEU 13 -7.521 0.726 -1.430 104 HD21 LEU 13 HD21 LEU 13 -4.854 -0.811 -4.354 105 HD22 LEU 13 HD22 LEU 13 -4.285 0.432 -3.238 106 HD23 LEU 13 HD23 LEU 13 -5.465 0.838 -4.483 107 H LEU 14 HN LEU 14 -6.171 -3.954 -0.437 108 HA LEU 14 HA LEU 14 -3.868 -4.144 1.116 109 HB2 LEU 14 HB2 LEU 14 -6.498 -4.960 1.337 110 HB3 LEU 14 HB1 LEU 14 -5.614 -6.473 1.314 111 HG LEU 14 HG LEU 14 -4.237 -5.690 3.209 112 HD11 LEU 14 HD11 LEU 14 -6.062 -3.304 3.054 113 HD12 LEU 14 HD12 LEU 14 -4.300 -3.317 2.901 114 HD13 LEU 14 HD13 LEU 14 -5.057 -3.686 4.451 115 HD21 LEU 14 HD21 LEU 14 -5.979 -5.868 4.906 116 HD22 LEU 14 HD22 LEU 14 -6.243 -7.028 3.604 117 HD23 LEU 14 HD23 LEU 14 -7.212 -5.557 3.685 118 H SER 15 HN SER 15 -4.794 -5.905 -1.683 119 HA SER 15 HA SER 15 -3.051 -8.129 -1.360 120 HB2 SER 15 HB2 SER 15 -4.989 -8.183 -2.888 121 HB3 SER 15 HB1 SER 15 -4.238 -6.937 -3.881 122 HG SER 15 HG SER 15 -2.767 -9.254 -3.352 123 H LYS 16 HN LYS 16 -2.802 -5.054 -3.154 124 HA LYS 16 HA LYS 16 -0.059 -5.591 -3.808 125 HB2 LYS 16 HB2 LYS 16 0.043 -3.260 -4.663 126 HB3 LYS 16 HB1 LYS 16 -1.169 -4.265 -5.432 127 HG2 LYS 16 HG2 LYS 16 -2.331 -2.322 -5.200 128 HG3 LYS 16 HG1 LYS 16 -2.771 -3.104 -3.692 129 HD2 LYS 16 HD2 LYS 16 -2.240 -0.864 -3.162 130 HD3 LYS 16 HD1 LYS 16 -0.885 -1.843 -2.607 131 HE2 LYS 16 HE2 LYS 16 -0.320 0.326 -3.798 132 HE3 LYS 16 HE1 LYS 16 0.489 -1.134 -4.389 133 HZ1 LYS 16 HZ1 LYS 16 -0.333 0.258 -6.196 134 HZ2 LYS 16 HZ2 LYS 16 -1.912 0.126 -5.609 135 HZ3 LYS 16 HZ3 LYS 16 -1.111 -1.242 -6.193 136 H ASN 17 HN ASN 17 -1.742 -3.766 -1.320 137 HA ASN 17 HA ASN 17 0.471 -2.541 -0.079 138 HB2 ASN 17 HB2 ASN 17 -2.015 -3.790 1.152 139 HB3 ASN 17 HB1 ASN 17 -0.837 -2.857 2.062 140 HD21 ASN 17 HD21 ASN 17 -2.519 -1.436 2.614 141 HD22 ASN 17 HD22 ASN 17 -3.049 -0.229 1.491 142 H TYR 18 HN TYR 18 -0.778 -5.860 0.030 143 HA TYR 18 HA TYR 18 0.928 -6.829 2.042 144 HB2 TYR 18 HB2 TYR 18 -1.039 -8.051 1.063 145 HB3 TYR 18 HB1 TYR 18 -0.055 -8.386 -0.358 146 HD1 TYR 18 HD1 TYR 18 -0.307 -8.967 3.293 147 HD2 TYR 18 HD2 TYR 18 1.467 -10.198 -0.373 148 HE1 TYR 18 HE1 TYR 18 0.581 -10.972 4.402 149 HE2 TYR 18 HE2 TYR 18 2.359 -12.205 0.730 150 HH TYR 18 HH TYR 18 2.957 -12.945 3.012 151 H HIS 19 HN HIS 19 1.325 -6.857 -1.490 152 HA HIS 19 HA HIS 19 3.949 -7.925 -1.463 153 HB2 HIS 19 HB2 HIS 19 2.505 -8.009 -3.450 154 HB3 HIS 19 HB1 HIS 19 2.565 -6.256 -3.578 155 HD1 HIS 19 HD1 HIS 19 4.305 -5.367 -5.113 156 HD2 HIS 19 HD2 HIS 19 5.205 -9.206 -3.787 157 HE1 HIS 19 HE1 HIS 19 6.388 -6.041 -6.347 158 HE2 HIS 19 HE2 HIS 19 6.991 -8.301 -5.421 159 H LEU 20 HN LEU 20 2.706 -4.617 -1.705 160 HA LEU 20 HA LEU 20 5.182 -3.365 -2.048 161 HB2 LEU 20 HB2 LEU 20 3.257 -2.300 -2.834 162 HB3 LEU 20 HB1 LEU 20 2.400 -2.517 -1.327 163 HG LEU 20 HG LEU 20 3.537 -0.766 -0.309 164 HD11 LEU 20 HD11 LEU 20 5.779 -1.241 -1.185 165 HD12 LEU 20 HD12 LEU 20 5.358 0.466 -1.341 166 HD13 LEU 20 HD13 LEU 20 5.286 -0.596 -2.749 167 HD21 LEU 20 HD21 LEU 20 1.805 0.068 -1.671 168 HD22 LEU 20 HD22 LEU 20 2.796 -0.080 -3.123 169 HD23 LEU 20 HD23 LEU 20 3.198 1.130 -1.904 170 H GLU 21 HN GLU 21 3.340 -4.156 0.905 171 HA GLU 21 HA GLU 21 5.018 -2.716 2.684 172 HB2 GLU 21 HB2 GLU 21 3.079 -4.970 3.010 173 HB3 GLU 21 HB1 GLU 21 4.156 -4.571 4.340 174 HG2 GLU 21 HG2 GLU 21 3.268 -2.322 4.407 175 HG3 GLU 21 HG1 GLU 21 2.251 -2.662 3.008 176 H ASN 22 HN ASN 22 5.062 -6.062 1.521 177 HA ASN 22 HA ASN 22 7.377 -6.809 3.000 178 HB2 ASN 22 HB2 ASN 22 5.913 -8.019 0.672 179 HB3 ASN 22 HB1 ASN 22 7.467 -8.669 1.178 180 HD21 ASN 22 HD21 ASN 22 4.119 -8.282 1.989 181 HD22 ASN 22 HD22 ASN 22 4.119 -9.357 3.348 182 H GLU 23 HN GLU 23 6.820 -5.325 -0.099 183 HA GLU 23 HA GLU 23 9.392 -5.597 -1.188 184 HB2 GLU 23 HB2 GLU 23 7.413 -4.846 -2.463 185 HB3 GLU 23 HB1 GLU 23 7.412 -3.341 -1.560 186 HG2 GLU 23 HG2 GLU 23 9.457 -2.651 -2.541 187 HG3 GLU 23 HG1 GLU 23 9.723 -4.242 -3.253 188 H VAL 24 HN VAL 24 7.970 -3.030 0.844 189 HA VAL 24 HA VAL 24 10.281 -1.458 1.057 190 HB VAL 24 HB VAL 24 7.914 -1.801 2.930 191 HG11 VAL 24 HG11 VAL 24 9.952 -1.333 4.288 192 HG12 VAL 24 HG12 VAL 24 8.797 0.000 4.301 193 HG13 VAL 24 HG13 VAL 24 10.244 0.097 3.293 194 HG21 VAL 24 HG21 VAL 24 8.946 0.438 1.208 195 HG22 VAL 24 HG22 VAL 24 7.576 0.559 2.313 196 HG23 VAL 24 HG23 VAL 24 7.506 -0.548 0.942 197 H ALA 25 HN ALA 25 9.127 -4.176 3.028 198 HA ALA 25 HA ALA 25 11.010 -4.101 5.068 199 HB1 ALA 25 HB1 ALA 25 8.995 -5.506 5.103 200 HB2 ALA 25 HB2 ALA 25 10.448 -6.438 5.472 201 HB3 ALA 25 HB3 ALA 25 9.710 -6.550 3.875 202 H ARG 26 HN ARG 26 11.169 -5.800 1.957 203 HA ARG 26 HA ARG 26 13.661 -7.037 2.344 204 HB2 ARG 26 HB2 ARG 26 12.362 -6.097 -0.218 205 HB3 ARG 26 HB1 ARG 26 13.750 -7.175 -0.130 206 HG2 ARG 26 HG2 ARG 26 12.403 -8.830 1.044 207 HG3 ARG 26 HG1 ARG 26 11.011 -7.746 0.985 208 HD2 ARG 26 HD2 ARG 26 11.102 -7.806 -1.476 209 HD3 ARG 26 HD1 ARG 26 12.448 -8.941 -1.382 210 HE ARG 26 HE ARG 26 10.227 -9.899 0.093 211 HH11 ARG 26 HH11 ARG 26 11.380 -9.498 -3.185 212 HH12 ARG 26 HH12 ARG 26 10.433 -10.808 -3.811 213 HH21 ARG 26 HH21 ARG 26 8.979 -11.625 -0.730 214 HH22 ARG 26 HH22 ARG 26 9.074 -12.020 -2.418 215 H LEU 27 HN LEU 27 12.875 -4.018 0.641 216 HA LEU 27 HA LEU 27 15.492 -3.274 -0.001 217 HB2 LEU 27 HB2 LEU 27 12.966 -1.695 0.409 218 HB3 LEU 27 HB1 LEU 27 14.474 -0.903 0.051 219 HG LEU 27 HG LEU 27 14.549 -1.682 -2.131 220 HD11 LEU 27 HD11 LEU 27 14.181 -4.063 -1.683 221 HD12 LEU 27 HD12 LEU 27 13.199 -3.497 -3.033 222 HD13 LEU 27 HD13 LEU 27 12.461 -3.750 -1.451 223 HD21 LEU 27 HD21 LEU 27 12.317 -1.241 -3.067 224 HD22 LEU 27 HD22 LEU 27 12.809 -0.051 -1.863 225 HD23 LEU 27 HD23 LEU 27 11.648 -1.309 -1.437 226 H LYS 28 HN LYS 28 13.526 -2.564 2.830 227 HA LYS 28 HA LYS 28 15.183 -0.645 4.021 228 HB2 LYS 28 HB2 LYS 28 12.750 -1.342 4.544 229 HB3 LYS 28 HB1 LYS 28 13.469 -2.575 5.565 230 HG2 LYS 28 HG2 LYS 28 12.769 -0.505 6.754 231 HG3 LYS 28 HG1 LYS 28 14.465 -0.945 6.975 232 HD2 LYS 28 HD2 LYS 28 15.227 0.819 5.724 233 HD3 LYS 28 HD1 LYS 28 13.754 0.913 4.761 234 HE2 LYS 28 HE2 LYS 28 14.140 2.809 6.367 235 HE3 LYS 28 HE1 LYS 28 12.578 2.006 6.491 236 HZ1 LYS 28 HZ1 LYS 28 13.862 2.520 8.627 237 HZ2 LYS 28 HZ2 LYS 28 14.825 1.179 8.223 238 HZ3 LYS 28 HZ3 LYS 28 13.162 0.992 8.464 239 H LYS 29 HN LYS 29 15.098 -4.159 4.321 240 HA LYS 29 HA LYS 29 17.150 -4.291 6.309 241 HB2 LYS 29 HB2 LYS 29 15.474 -6.050 6.095 242 HB3 LYS 29 HB1 LYS 29 16.022 -6.402 4.462 243 HG2 LYS 29 HG2 LYS 29 18.159 -7.162 5.313 244 HG3 LYS 29 HG1 LYS 29 17.669 -6.745 6.959 245 HD2 LYS 29 HD2 LYS 29 15.915 -8.397 6.901 246 HD3 LYS 29 HD1 LYS 29 16.256 -8.750 5.199 247 HE2 LYS 29 HE2 LYS 29 18.185 -9.164 7.484 248 HE3 LYS 29 HE1 LYS 29 17.204 -10.430 6.749 249 HZ1 LYS 29 HZ1 LYS 29 18.325 -9.949 4.623 250 HZ2 LYS 29 HZ2 LYS 29 19.397 -10.472 5.817 251 HZ3 LYS 29 HZ3 LYS 29 19.323 -8.834 5.413 252 H LEU 30 HN LEU 30 17.089 -3.970 2.911 253 HA LEU 30 HA LEU 30 19.735 -5.039 2.461 254 HB2 LEU 30 HB2 LEU 30 17.827 -3.593 0.637 255 HB3 LEU 30 HB1 LEU 30 19.384 -4.225 0.135 256 HG LEU 30 HG LEU 30 17.183 -5.949 1.267 257 HD11 LEU 30 HD11 LEU 30 16.453 -4.886 -0.795 258 HD12 LEU 30 HD12 LEU 30 16.723 -6.612 -1.018 259 HD13 LEU 30 HD13 LEU 30 17.913 -5.448 -1.605 260 HD21 LEU 30 HD21 LEU 30 19.303 -7.017 1.498 261 HD22 LEU 30 HD22 LEU 30 19.782 -6.548 -0.133 262 HD23 LEU 30 HD23 LEU 30 18.503 -7.739 0.102 263 H VAL 31 HN VAL 31 18.177 -1.916 2.796 264 HA VAL 31 HA VAL 31 20.563 -0.381 2.404 265 HB VAL 31 HB VAL 31 18.087 0.363 3.990 266 HG11 VAL 31 HG11 VAL 31 20.222 2.111 2.769 267 HG12 VAL 31 HG12 VAL 31 20.026 1.771 4.488 268 HG13 VAL 31 HG13 VAL 31 18.782 2.672 3.621 269 HG21 VAL 31 HG21 VAL 31 17.495 -0.198 1.701 270 HG22 VAL 31 HG22 VAL 31 18.742 0.890 1.094 271 HG23 VAL 31 HG23 VAL 31 17.354 1.539 1.968 272 H GLY 32 HN GLY 32 19.055 -2.109 4.992 273 HA2 GLY 32 HA2 GLY 32 20.220 -3.061 6.782 274 HA3 GLY 32 HA1 GLY 32 21.514 -1.895 6.541 275 H GLU 33 HN GLU 33 18.174 -0.917 6.683 276 HA GLU 33 HA GLU 33 18.776 0.392 9.257 277 HB2 GLU 33 HB2 GLU 33 16.922 1.316 7.052 278 HB3 GLU 33 HB1 GLU 33 17.161 2.139 8.586 279 HG2 GLU 33 HG2 GLU 33 19.298 1.675 6.520 280 HG3 GLU 33 HG1 GLU 33 18.398 3.175 6.735 281 H1 GLY 1 HT1 GLY 1 -24.451 4.200 5.657 282 H2 GLY 1 HT2 GLY 1 -25.325 5.464 4.954 283 H3 GLY 1 HT3 GLY 1 -23.641 5.550 5.045 284 HA2 GLY 1 HA1 GLY 1 -25.193 3.596 3.445 285 HA3 GLY 1 HA2 GLY 1 -24.351 5.002 2.806 286 H SER 2 HN SER 2 -23.583 2.838 1.622 287 HA SER 2 HA SER 2 -21.186 1.874 3.019 288 HB2 SER 2 HB2 SER 2 -21.307 0.089 1.126 289 HB3 SER 2 HB1 SER 2 -22.463 -0.007 2.463 290 HG SER 2 HG SER 2 -23.534 -0.211 0.476 291 H MET 3 HN MET 3 -22.346 3.432 0.107 292 HA MET 3 HA MET 3 -20.182 2.885 -1.565 293 HB2 MET 3 HB2 MET 3 -22.051 5.251 -1.615 294 HB3 MET 3 HB1 MET 3 -20.964 4.800 -2.922 295 HG2 MET 3 HG2 MET 3 -22.129 2.605 -3.041 296 HG3 MET 3 HG1 MET 3 -23.287 3.211 -1.862 297 HE1 MET 3 HE1 MET 3 -21.879 3.438 -5.459 298 HE2 MET 3 HE2 MET 3 -21.545 5.080 -4.910 299 HE3 MET 3 HE3 MET 3 -22.759 4.797 -6.157 300 H LYS 4 HN LYS 4 -20.745 5.815 0.386 301 HA LYS 4 HA LYS 4 -18.210 6.918 -0.459 302 HB2 LYS 4 HB2 LYS 4 -20.207 7.932 1.572 303 HB3 LYS 4 HB1 LYS 4 -18.812 8.823 0.984 304 HG2 LYS 4 HG2 LYS 4 -19.770 8.759 -1.290 305 HG3 LYS 4 HG1 LYS 4 -21.197 7.953 -0.634 306 HD2 LYS 4 HD2 LYS 4 -21.617 9.877 0.818 307 HD3 LYS 4 HD1 LYS 4 -20.187 10.681 0.170 308 HE2 LYS 4 HE2 LYS 4 -22.168 11.548 -0.903 309 HE3 LYS 4 HE1 LYS 4 -21.209 10.640 -2.070 310 HZ1 LYS 4 HZ1 LYS 4 -22.702 8.778 -1.820 311 HZ2 LYS 4 HZ2 LYS 4 -23.579 10.159 -2.241 312 HZ3 LYS 4 HZ3 LYS 4 -23.601 9.603 -0.647 313 H GLN 5 HN GLN 5 -19.139 4.757 1.881 314 HA GLN 5 HA GLN 5 -17.271 5.707 3.912 315 HB2 GLN 5 HB2 GLN 5 -19.276 3.442 4.032 316 HB3 GLN 5 HB1 GLN 5 -18.302 4.026 5.374 317 HG2 GLN 5 HG2 GLN 5 -20.337 5.685 3.905 318 HG3 GLN 5 HG1 GLN 5 -20.652 4.813 5.401 319 HE21 GLN 5 HE21 GLN 5 -21.150 6.692 6.505 320 HE22 GLN 5 HE22 GLN 5 -19.944 7.838 6.975 321 H LEU 6 HN LEU 6 -18.051 2.839 1.995 322 HA LEU 6 HA LEU 6 -15.695 1.429 2.762 323 HB2 LEU 6 HB2 LEU 6 -17.421 1.009 0.328 324 HB3 LEU 6 HB1 LEU 6 -16.263 -0.130 0.976 325 HG LEU 6 HG LEU 6 -18.921 0.688 2.124 326 HD11 LEU 6 HD11 LEU 6 -19.068 -1.087 0.558 327 HD12 LEU 6 HD12 LEU 6 -19.247 -1.769 2.175 328 HD13 LEU 6 HD13 LEU 6 -17.720 -1.940 1.309 329 HD21 LEU 6 HD21 LEU 6 -18.383 -0.669 4.099 330 HD22 LEU 6 HD22 LEU 6 -17.335 0.742 3.965 331 HD23 LEU 6 HD23 LEU 6 -16.730 -0.852 3.515 332 H GLU 7 HN GLU 7 -16.625 3.518 0.055 333 HA GLU 7 HA GLU 7 -14.181 3.362 -1.337 334 HB2 GLU 7 HB2 GLU 7 -16.227 4.434 -2.247 335 HB3 GLU 7 HB1 GLU 7 -16.009 5.761 -1.115 336 HG2 GLU 7 HG2 GLU 7 -13.837 6.263 -2.163 337 HG3 GLU 7 HG1 GLU 7 -14.128 4.976 -3.330 338 H ASP 8 HN ASP 8 -15.225 5.359 1.411 339 HA ASP 8 HA ASP 8 -12.876 6.920 1.584 340 HB2 ASP 8 HB2 ASP 8 -15.075 6.240 3.444 341 HB3 ASP 8 HB1 ASP 8 -13.563 6.759 4.186 342 H LYS 9 HN LYS 9 -13.593 3.672 2.661 343 HA LYS 9 HA LYS 9 -11.268 3.366 4.276 344 HB2 LYS 9 HB2 LYS 9 -13.238 1.913 4.532 345 HB3 LYS 9 HB1 LYS 9 -12.977 1.267 2.919 346 HG2 LYS 9 HG2 LYS 9 -12.169 -0.313 4.521 347 HG3 LYS 9 HG1 LYS 9 -10.790 0.385 3.675 348 HD2 LYS 9 HD2 LYS 9 -10.207 0.285 5.974 349 HD3 LYS 9 HD1 LYS 9 -10.542 1.978 5.609 350 HE2 LYS 9 HE2 LYS 9 -11.552 1.408 7.719 351 HE3 LYS 9 HE1 LYS 9 -12.821 1.678 6.527 352 HZ1 LYS 9 HZ1 LYS 9 -13.280 -0.270 7.862 353 HZ2 LYS 9 HZ2 LYS 9 -11.809 -0.968 7.414 354 HZ3 LYS 9 HZ3 LYS 9 -13.015 -0.722 6.256 355 H VAL 10 HN VAL 10 -12.065 2.604 0.915 356 HA VAL 10 HA VAL 10 -9.661 1.350 0.188 357 HB VAL 10 HB VAL 10 -11.180 3.153 -1.680 358 HG11 VAL 10 HG11 VAL 10 -10.497 1.557 -3.367 359 HG12 VAL 10 HG12 VAL 10 -9.743 0.552 -2.126 360 HG13 VAL 10 HG13 VAL 10 -9.094 2.155 -2.479 361 HG21 VAL 10 HG21 VAL 10 -11.927 0.298 -1.143 362 HG22 VAL 10 HG22 VAL 10 -12.761 1.462 -2.170 363 HG23 VAL 10 HG23 VAL 10 -12.762 1.670 -0.419 364 H GLU 11 HN GLU 11 -10.644 4.754 -0.011 365 HA GLU 11 HA GLU 11 -8.200 5.687 -1.109 366 HB2 GLU 11 HB2 GLU 11 -10.318 6.917 -1.312 367 HB3 GLU 11 HB1 GLU 11 -10.355 7.169 0.425 368 HG2 GLU 11 HG2 GLU 11 -9.642 9.179 -0.677 369 HG3 GLU 11 HG1 GLU 11 -8.306 8.512 0.257 370 H GLU 12 HN GLU 12 -9.258 5.046 2.140 371 HA GLU 12 HA GLU 12 -7.272 6.536 3.505 372 HB2 GLU 12 HB2 GLU 12 -9.339 5.705 4.593 373 HB3 GLU 12 HB1 GLU 12 -8.748 4.058 4.421 374 HG2 GLU 12 HG2 GLU 12 -6.884 4.539 5.885 375 HG3 GLU 12 HG1 GLU 12 -7.391 6.223 6.010 376 H LEU 13 HN LEU 13 -7.471 3.211 2.306 377 HA LEU 13 HA LEU 13 -4.865 2.453 3.081 378 HB2 LEU 13 HB2 LEU 13 -6.683 1.544 0.870 379 HB3 LEU 13 HB1 LEU 13 -5.051 0.921 1.014 380 HG LEU 13 HG LEU 13 -7.227 0.657 3.092 381 HD11 LEU 13 HD11 LEU 13 -7.180 -1.697 2.502 382 HD12 LEU 13 HD12 LEU 13 -5.956 -1.382 1.274 383 HD13 LEU 13 HD13 LEU 13 -7.577 -0.713 1.094 384 HD21 LEU 13 HD21 LEU 13 -5.018 0.810 4.120 385 HD22 LEU 13 HD22 LEU 13 -4.414 -0.440 3.030 386 HD23 LEU 13 HD23 LEU 13 -5.646 -0.834 4.228 387 H LEU 14 HN LEU 14 -6.155 3.958 0.153 388 HA LEU 14 HA LEU 14 -3.793 4.122 -1.312 389 HB2 LEU 14 HB2 LEU 14 -6.403 4.963 -1.643 390 HB3 LEU 14 HB1 LEU 14 -5.507 6.468 -1.585 391 HG LEU 14 HG LEU 14 -4.062 5.669 -3.422 392 HD11 LEU 14 HD11 LEU 14 -5.917 3.302 -3.333 393 HD12 LEU 14 HD12 LEU 14 -4.162 3.300 -3.107 394 HD13 LEU 14 HD13 LEU 14 -4.849 3.668 -4.689 395 HD21 LEU 14 HD21 LEU 14 -5.734 5.859 -5.190 396 HD22 LEU 14 HD22 LEU 14 -6.035 7.026 -3.903 397 HD23 LEU 14 HD23 LEU 14 -7.017 5.565 -4.017 398 H SER 15 HN SER 15 -4.817 5.907 1.440 399 HA SER 15 HA SER 15 -3.038 8.111 1.181 400 HB2 SER 15 HB2 SER 15 -5.050 8.167 2.627 401 HB3 SER 15 HB1 SER 15 -4.320 6.952 3.674 402 HG SER 15 HG SER 15 -2.784 9.209 3.183 403 H LYS 16 HN LYS 16 -2.893 5.039 2.999 404 HA LYS 16 HA LYS 16 -0.172 5.554 3.758 405 HB2 LYS 16 HB2 LYS 16 -0.122 3.225 4.615 406 HB3 LYS 16 HB1 LYS 16 -1.357 4.241 5.334 407 HG2 LYS 16 HG2 LYS 16 -2.521 2.305 5.060 408 HG3 LYS 16 HG1 LYS 16 -2.897 3.085 3.533 409 HD2 LYS 16 HD2 LYS 16 -2.359 0.840 3.033 410 HD3 LYS 16 HD1 LYS 16 -0.978 1.809 2.528 411 HE2 LYS 16 HE2 LYS 16 -0.474 -0.361 3.752 412 HE3 LYS 16 HE1 LYS 16 0.321 1.097 4.364 413 HZ1 LYS 16 HZ1 LYS 16 -0.574 -0.275 6.147 414 HZ2 LYS 16 HZ2 LYS 16 -2.128 -0.142 5.500 415 HZ3 LYS 16 HZ3 LYS 16 -1.345 1.228 6.106 416 H ASN 17 HN ASN 17 -1.764 3.742 1.206 417 HA ASN 17 HA ASN 17 0.490 2.495 0.060 418 HB2 ASN 17 HB2 ASN 17 -1.939 3.756 -1.272 419 HB3 ASN 17 HB1 ASN 17 -0.733 2.813 -2.131 420 HD21 ASN 17 HD21 ASN 17 -2.409 1.403 -2.746 421 HD22 ASN 17 HD22 ASN 17 -2.986 0.202 -1.640 422 H TYR 18 HN TYR 18 -0.733 5.823 -0.101 423 HA TYR 18 HA TYR 18 1.058 6.777 -2.049 424 HB2 TYR 18 HB2 TYR 18 -0.937 8.015 -1.148 425 HB3 TYR 18 HB1 TYR 18 -0.007 8.346 0.310 426 HD1 TYR 18 HD1 TYR 18 -0.109 8.918 -3.344 427 HD2 TYR 18 HD2 TYR 18 1.527 10.145 0.384 428 HE1 TYR 18 HE1 TYR 18 0.832 10.908 -4.425 429 HE2 TYR 18 HE2 TYR 18 2.477 12.146 -0.687 430 HH TYR 18 HH TYR 18 3.175 12.842 -2.985 431 H HIS 19 HN HIS 19 1.311 6.817 1.499 432 HA HIS 19 HA HIS 19 3.944 7.854 1.574 433 HB2 HIS 19 HB2 HIS 19 2.424 7.955 3.506 434 HB3 HIS 19 HB1 HIS 19 2.465 6.202 3.637 435 HD1 HIS 19 HD1 HIS 19 4.144 5.302 5.237 436 HD2 HIS 19 HD2 HIS 19 5.115 9.130 3.942 437 HE1 HIS 19 HE1 HIS 19 6.185 5.962 6.544 438 HE2 HIS 19 HE2 HIS 19 6.826 8.228 5.656 439 H LEU 20 HN LEU 20 2.662 4.556 1.756 440 HA LEU 20 HA LEU 20 5.118 3.290 2.213 441 HB2 LEU 20 HB2 LEU 20 3.156 2.238 2.924 442 HB3 LEU 20 HB1 LEU 20 2.363 2.455 1.384 443 HG LEU 20 HG LEU 20 3.530 0.693 0.416 444 HD11 LEU 20 HD11 LEU 20 5.738 1.158 1.383 445 HD12 LEU 20 HD12 LEU 20 5.298 -0.544 1.526 446 HD13 LEU 20 HD13 LEU 20 5.175 0.520 2.928 447 HD21 LEU 20 HD21 LEU 20 1.736 -0.122 1.710 448 HD22 LEU 20 HD22 LEU 20 2.671 0.024 3.201 449 HD23 LEU 20 HD23 LEU 20 3.111 -1.195 2.004 450 H GLU 21 HN GLU 21 3.402 4.086 -0.815 451 HA GLU 21 HA GLU 21 5.143 2.634 -2.522 452 HB2 GLU 21 HB2 GLU 21 3.232 4.900 -2.930 453 HB3 GLU 21 HB1 GLU 21 4.360 4.490 -4.214 454 HG2 GLU 21 HG2 GLU 21 3.465 2.246 -4.315 455 HG3 GLU 21 HG1 GLU 21 2.394 2.593 -2.957 456 H ASN 22 HN ASN 22 5.166 5.979 -1.355 457 HA ASN 22 HA ASN 22 7.544 6.704 -2.746 458 HB2 ASN 22 HB2 ASN 22 5.995 7.937 -0.486 459 HB3 ASN 22 HB1 ASN 22 7.574 8.573 -0.932 460 HD21 ASN 22 HD21 ASN 22 4.255 8.216 -1.870 461 HD22 ASN 22 HD22 ASN 22 4.319 9.287 -3.229 462 H GLU 23 HN GLU 23 6.848 5.232 0.329 463 HA GLU 23 HA GLU 23 9.375 5.484 1.524 464 HB2 GLU 23 HB2 GLU 23 7.341 4.753 2.721 465 HB3 GLU 23 HB1 GLU 23 7.362 3.246 1.818 466 HG2 GLU 23 HG2 GLU 23 9.362 2.539 2.881 467 HG3 GLU 23 HG1 GLU 23 9.611 4.127 3.603 468 H VAL 24 HN VAL 24 8.020 2.933 -0.568 469 HA VAL 24 HA VAL 24 10.325 1.338 -0.679 470 HB VAL 24 HB VAL 24 8.039 1.693 -2.648 471 HG11 VAL 24 HG11 VAL 24 10.128 1.206 -3.920 472 HG12 VAL 24 HG12 VAL 24 8.965 -0.120 -3.976 473 HG13 VAL 24 HG13 VAL 24 10.368 -0.223 -2.909 474 HG21 VAL 24 HG21 VAL 24 8.984 -0.549 -0.881 475 HG22 VAL 24 HG22 VAL 24 7.659 -0.665 -2.040 476 HG23 VAL 24 HG23 VAL 24 7.543 0.445 -0.673 477 H ALA 25 HN ALA 25 9.272 4.060 -2.697 478 HA ALA 25 HA ALA 25 11.234 3.965 -4.661 479 HB1 ALA 25 HB1 ALA 25 9.235 5.389 -4.785 480 HB2 ALA 25 HB2 ALA 25 10.709 6.308 -5.092 481 HB3 ALA 25 HB3 ALA 25 9.905 6.429 -3.528 482 H ARG 26 HN ARG 26 11.278 5.671 -1.547 483 HA ARG 26 HA ARG 26 13.795 6.884 -1.837 484 HB2 ARG 26 HB2 ARG 26 12.389 5.965 0.676 485 HB3 ARG 26 HB1 ARG 26 13.787 7.033 0.639 486 HG2 ARG 26 HG2 ARG 26 12.501 8.693 -0.591 487 HG3 ARG 26 HG1 ARG 26 11.101 7.621 -0.588 488 HD2 ARG 26 HD2 ARG 26 11.090 7.686 1.875 489 HD3 ARG 26 HD1 ARG 26 12.447 8.814 1.833 490 HE ARG 26 HE ARG 26 10.291 9.783 0.268 491 HH11 ARG 26 HH11 ARG 26 11.296 9.369 3.593 492 HH12 ARG 26 HH12 ARG 26 10.343 10.694 4.179 493 HH21 ARG 26 HH21 ARG 26 9.038 11.526 1.034 494 HH22 ARG 26 HH22 ARG 26 9.052 11.919 2.724 495 H LEU 27 HN LEU 27 12.916 3.876 -0.165 496 HA LEU 27 HA LEU 27 15.502 3.119 0.588 497 HB2 LEU 27 HB2 LEU 27 12.983 1.555 0.078 498 HB3 LEU 27 HB1 LEU 27 14.470 0.754 0.499 499 HG LEU 27 HG LEU 27 14.464 1.536 2.681 500 HD11 LEU 27 HD11 LEU 27 14.128 3.918 2.211 501 HD12 LEU 27 HD12 LEU 27 13.090 3.362 3.523 502 HD13 LEU 27 HD13 LEU 27 12.417 3.616 1.913 503 HD21 LEU 27 HD21 LEU 27 12.193 1.112 3.527 504 HD22 LEU 27 HD22 LEU 27 12.724 -0.084 2.345 505 HD23 LEU 27 HD23 LEU 27 11.590 1.180 1.871 506 H LYS 28 HN LYS 28 13.646 2.416 -2.320 507 HA LYS 28 HA LYS 28 15.337 0.482 -3.439 508 HB2 LYS 28 HB2 LYS 28 12.933 1.195 -4.061 509 HB3 LYS 28 HB1 LYS 28 13.702 2.420 -5.058 510 HG2 LYS 28 HG2 LYS 28 13.035 0.351 -6.265 511 HG3 LYS 28 HG1 LYS 28 14.739 0.775 -6.423 512 HD2 LYS 28 HD2 LYS 28 15.437 -0.992 -5.135 513 HD3 LYS 28 HD1 LYS 28 13.925 -1.073 -4.235 514 HE2 LYS 28 HE2 LYS 28 14.356 -2.976 -5.814 515 HE3 LYS 28 HE1 LYS 28 12.814 -2.151 -6.020 516 HZ1 LYS 28 HZ1 LYS 28 14.215 -2.698 -8.083 517 HZ2 LYS 28 HZ2 LYS 28 15.149 -1.354 -7.637 518 HZ3 LYS 28 HZ3 LYS 28 13.503 -1.170 -7.971 519 H LYS 29 HN LYS 29 15.287 3.995 -3.750 520 HA LYS 29 HA LYS 29 17.415 4.108 -5.658 521 HB2 LYS 29 HB2 LYS 29 15.750 5.883 -5.510 522 HB3 LYS 29 HB1 LYS 29 16.232 6.230 -3.857 523 HG2 LYS 29 HG2 LYS 29 18.410 6.971 -4.619 524 HG3 LYS 29 HG1 LYS 29 17.984 6.555 -6.285 525 HD2 LYS 29 HD2 LYS 29 16.239 8.219 -6.300 526 HD3 LYS 29 HD1 LYS 29 16.517 8.574 -4.588 527 HE2 LYS 29 HE2 LYS 29 18.533 8.969 -6.796 528 HE3 LYS 29 HE1 LYS 29 17.534 10.243 -6.100 529 HZ1 LYS 29 HZ1 LYS 29 18.563 9.755 -3.935 530 HZ2 LYS 29 HZ2 LYS 29 19.686 10.273 -5.085 531 HZ3 LYS 29 HZ3 LYS 29 19.589 8.637 -4.683 532 H LEU 30 HN LEU 30 17.218 3.807 -2.259 533 HA LEU 30 HA LEU 30 19.856 4.847 -1.709 534 HB2 LEU 30 HB2 LEU 30 17.869 3.417 0.037 535 HB3 LEU 30 HB1 LEU 30 19.410 4.040 0.599 536 HG LEU 30 HG LEU 30 17.265 5.774 -0.624 537 HD11 LEU 30 HD11 LEU 30 16.446 4.713 1.407 538 HD12 LEU 30 HD12 LEU 30 16.713 6.437 1.640 539 HD13 LEU 30 HD13 LEU 30 17.873 5.269 2.277 540 HD21 LEU 30 HD21 LEU 30 19.400 6.830 -0.765 541 HD22 LEU 30 HD22 LEU 30 19.809 6.357 0.883 542 HD23 LEU 30 HD23 LEU 30 18.550 7.556 0.597 543 H VAL 31 HN VAL 31 18.286 1.732 -2.092 544 HA VAL 31 HA VAL 31 20.644 0.187 -1.602 545 HB VAL 31 HB VAL 31 18.231 -0.550 -3.288 546 HG11 VAL 31 HG11 VAL 31 20.305 -2.305 -1.978 547 HG12 VAL 31 HG12 VAL 31 20.178 -1.972 -3.705 548 HG13 VAL 31 HG13 VAL 31 18.897 -2.861 -2.883 549 HG21 VAL 31 HG21 VAL 31 17.552 0.021 -1.026 550 HG22 VAL 31 HG22 VAL 31 18.768 -1.074 -0.368 551 HG23 VAL 31 HG23 VAL 31 17.410 -1.715 -1.295 552 H GLY 32 HN GLY 32 19.252 1.912 -4.258 553 HA2 GLY 32 HA2 GLY 32 20.500 2.855 -5.998 554 HA3 GLY 32 HA1 GLY 32 21.774 1.678 -5.702 555 H GLU 33 HN GLU 33 18.431 0.731 -5.980 556 HA GLU 33 HA GLU 33 19.125 -0.588 -8.527 557 HB2 GLU 33 HB2 GLU 33 17.178 -1.497 -6.395 558 HB3 GLU 33 HB1 GLU 33 17.472 -2.322 -7.920 559 HG2 GLU 33 HG2 GLU 33 19.535 -1.873 -5.774 560 HG3 GLU 33 HG1 GLU 33 18.629 -3.365 -6.016 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 -25.068 -5.351 -6.994 2 H2 GLY 1 HT2 GLY 1 -23.790 -4.338 -7.441 3 H3 GLY 1 HT3 GLY 1 -24.973 -3.783 -6.371 4 HA2 GLY 1 HA1 GLY 1 -24.287 -5.374 -4.709 5 HA3 GLY 1 HA2 GLY 1 -23.076 -5.992 -5.823 6 H SER 2 HN SER 2 -23.514 -4.041 -3.231 7 HA SER 2 HA SER 2 -21.370 -2.199 -4.008 8 HB2 SER 2 HB2 SER 2 -22.159 -0.994 -1.860 9 HB3 SER 2 HB1 SER 2 -23.195 -0.920 -3.286 10 HG SER 2 HG SER 2 -24.675 -1.764 -2.075 11 H MET 3 HN MET 3 -22.428 -4.234 -1.283 12 HA MET 3 HA MET 3 -20.288 -3.696 0.407 13 HB2 MET 3 HB2 MET 3 -21.935 -6.217 0.212 14 HB3 MET 3 HB1 MET 3 -20.857 -5.829 1.543 15 HG2 MET 3 HG2 MET 3 -23.258 -4.204 0.736 16 HG3 MET 3 HG1 MET 3 -23.225 -5.389 2.038 17 HE1 MET 3 HE1 MET 3 -21.328 -2.143 0.739 18 HE2 MET 3 HE2 MET 3 -21.650 -1.106 2.126 19 HE3 MET 3 HE3 MET 3 -22.990 -1.754 1.180 20 H LYS 4 HN LYS 4 -20.640 -6.561 -1.702 21 HA LYS 4 HA LYS 4 -18.062 -7.526 -0.920 22 HB2 LYS 4 HB2 LYS 4 -18.468 -9.373 -2.417 23 HB3 LYS 4 HB1 LYS 4 -19.920 -9.053 -1.482 24 HG2 LYS 4 HG2 LYS 4 -20.817 -7.796 -3.439 25 HG3 LYS 4 HG1 LYS 4 -19.406 -8.318 -4.354 26 HD2 LYS 4 HD2 LYS 4 -21.210 -10.292 -2.992 27 HD3 LYS 4 HD1 LYS 4 -21.578 -9.667 -4.595 28 HE2 LYS 4 HE2 LYS 4 -20.445 -11.732 -4.890 29 HE3 LYS 4 HE1 LYS 4 -19.316 -10.455 -5.327 30 HZ1 LYS 4 HZ1 LYS 4 -18.405 -12.306 -3.937 31 HZ2 LYS 4 HZ2 LYS 4 -19.336 -11.727 -2.651 32 HZ3 LYS 4 HZ3 LYS 4 -18.131 -10.755 -3.331 33 H GLN 5 HN GLN 5 -18.978 -5.201 -3.107 34 HA GLN 5 HA GLN 5 -16.833 -5.815 -5.000 35 HB2 GLN 5 HB2 GLN 5 -19.119 -3.843 -5.157 36 HB3 GLN 5 HB1 GLN 5 -17.853 -3.979 -6.368 37 HG2 GLN 5 HG2 GLN 5 -19.808 -6.131 -5.595 38 HG3 GLN 5 HG1 GLN 5 -19.850 -5.157 -7.064 39 HE21 GLN 5 HE21 GLN 5 -19.672 -8.041 -6.750 40 HE22 GLN 5 HE22 GLN 5 -18.223 -8.530 -7.556 41 H LEU 6 HN LEU 6 -18.105 -3.233 -2.963 42 HA LEU 6 HA LEU 6 -15.877 -1.517 -3.293 43 HB2 LEU 6 HB2 LEU 6 -18.171 -1.678 -1.392 44 HB3 LEU 6 HB1 LEU 6 -16.797 -0.694 -0.946 45 HG LEU 6 HG LEU 6 -18.660 0.583 -1.986 46 HD11 LEU 6 HD11 LEU 6 -16.299 1.358 -2.049 47 HD12 LEU 6 HD12 LEU 6 -17.297 1.964 -3.368 48 HD13 LEU 6 HD13 LEU 6 -16.159 0.655 -3.660 49 HD21 LEU 6 HD21 LEU 6 -19.425 -1.082 -3.586 50 HD22 LEU 6 HD22 LEU 6 -17.910 -0.941 -4.475 51 HD23 LEU 6 HD23 LEU 6 -19.016 0.429 -4.397 52 H GLU 7 HN GLU 7 -16.804 -3.893 -0.805 53 HA GLU 7 HA GLU 7 -14.470 -3.580 0.748 54 HB2 GLU 7 HB2 GLU 7 -16.328 -5.934 0.444 55 HB3 GLU 7 HB1 GLU 7 -14.988 -5.907 1.583 56 HG2 GLU 7 HG2 GLU 7 -15.973 -3.937 2.666 57 HG3 GLU 7 HG1 GLU 7 -17.334 -4.020 1.547 58 H ASP 8 HN ASP 8 -15.166 -5.585 -2.102 59 HA ASP 8 HA ASP 8 -12.751 -7.036 -2.076 60 HB2 ASP 8 HB2 ASP 8 -14.809 -6.421 -4.068 61 HB3 ASP 8 HB1 ASP 8 -13.203 -6.637 -4.759 62 H LYS 9 HN LYS 9 -13.524 -3.903 -3.556 63 HA LYS 9 HA LYS 9 -11.015 -3.441 -4.713 64 HB2 LYS 9 HB2 LYS 9 -13.104 -1.490 -3.745 65 HB3 LYS 9 HB1 LYS 9 -11.690 -1.028 -4.682 66 HG2 LYS 9 HG2 LYS 9 -13.854 -2.917 -5.584 67 HG3 LYS 9 HG1 LYS 9 -13.671 -1.234 -6.083 68 HD2 LYS 9 HD2 LYS 9 -11.496 -1.759 -7.068 69 HD3 LYS 9 HD1 LYS 9 -11.671 -3.440 -6.563 70 HE2 LYS 9 HE2 LYS 9 -13.635 -3.677 -7.982 71 HE3 LYS 9 HE1 LYS 9 -13.504 -1.987 -8.466 72 HZ1 LYS 9 HZ1 LYS 9 -12.559 -3.508 -10.113 73 HZ2 LYS 9 HZ2 LYS 9 -11.445 -4.065 -8.974 74 HZ3 LYS 9 HZ3 LYS 9 -11.390 -2.459 -9.493 75 H VAL 10 HN VAL 10 -12.242 -2.613 -1.490 76 HA VAL 10 HA VAL 10 -10.061 -1.128 -0.575 77 HB VAL 10 HB VAL 10 -11.572 -3.093 1.148 78 HG11 VAL 10 HG11 VAL 10 -9.661 -2.079 2.218 79 HG12 VAL 10 HG12 VAL 10 -11.146 -1.430 2.913 80 HG13 VAL 10 HG13 VAL 10 -10.221 -0.473 1.753 81 HG21 VAL 10 HG21 VAL 10 -13.262 -1.477 1.565 82 HG22 VAL 10 HG22 VAL 10 -13.127 -1.650 -0.187 83 HG23 VAL 10 HG23 VAL 10 -12.410 -0.257 0.623 84 H GLU 11 HN GLU 11 -10.640 -4.632 -0.459 85 HA GLU 11 HA GLU 11 -8.157 -5.195 0.855 86 HB2 GLU 11 HB2 GLU 11 -9.968 -7.096 -0.656 87 HB3 GLU 11 HB1 GLU 11 -8.736 -7.534 0.518 88 HG2 GLU 11 HG2 GLU 11 -11.251 -5.981 1.083 89 HG3 GLU 11 HG1 GLU 11 -10.957 -7.671 1.481 90 H GLU 12 HN GLU 12 -9.056 -4.701 -2.446 91 HA GLU 12 HA GLU 12 -6.908 -6.149 -3.633 92 HB2 GLU 12 HB2 GLU 12 -8.572 -3.856 -4.687 93 HB3 GLU 12 HB1 GLU 12 -7.368 -4.712 -5.639 94 HG2 GLU 12 HG2 GLU 12 -9.889 -5.851 -4.457 95 HG3 GLU 12 HG1 GLU 12 -9.545 -5.566 -6.162 96 H LEU 13 HN LEU 13 -7.375 -2.788 -2.618 97 HA LEU 13 HA LEU 13 -4.717 -1.998 -3.258 98 HB2 LEU 13 HB2 LEU 13 -6.740 -0.850 -1.345 99 HB3 LEU 13 HB1 LEU 13 -5.177 -0.116 -1.652 100 HG LEU 13 HG LEU 13 -7.392 -0.512 -3.665 101 HD11 LEU 13 HD11 LEU 13 -6.217 1.985 -2.461 102 HD12 LEU 13 HD12 LEU 13 -7.777 1.279 -2.042 103 HD13 LEU 13 HD13 LEU 13 -7.503 1.908 -3.666 104 HD21 LEU 13 HD21 LEU 13 -5.241 -0.787 -4.746 105 HD22 LEU 13 HD22 LEU 13 -4.644 0.691 -3.988 106 HD23 LEU 13 HD23 LEU 13 -5.937 0.772 -5.183 107 H LEU 14 HN LEU 14 -6.258 -3.531 -0.548 108 HA LEU 14 HA LEU 14 -4.158 -3.376 1.319 109 HB2 LEU 14 HB2 LEU 14 -6.589 -4.193 1.618 110 HB3 LEU 14 HB1 LEU 14 -5.996 -5.736 1.040 111 HG LEU 14 HG LEU 14 -4.317 -5.698 2.920 112 HD11 LEU 14 HD11 LEU 14 -4.410 -3.284 3.352 113 HD12 LEU 14 HD12 LEU 14 -4.756 -4.234 4.800 114 HD13 LEU 14 HD13 LEU 14 -6.075 -3.466 3.915 115 HD21 LEU 14 HD21 LEU 14 -6.339 -7.059 3.001 116 HD22 LEU 14 HD22 LEU 14 -7.240 -5.693 3.658 117 HD23 LEU 14 HD23 LEU 14 -5.938 -6.422 4.596 118 H SER 15 HN SER 15 -4.680 -5.324 -1.474 119 HA SER 15 HA SER 15 -2.817 -7.385 -0.894 120 HB2 SER 15 HB2 SER 15 -3.862 -6.486 -3.593 121 HB3 SER 15 HB1 SER 15 -3.109 -8.038 -3.222 122 HG SER 15 HG SER 15 -5.307 -7.330 -1.671 123 H LYS 16 HN LYS 16 -2.685 -4.364 -2.777 124 HA LYS 16 HA LYS 16 0.119 -4.731 -3.273 125 HB2 LYS 16 HB2 LYS 16 0.128 -2.489 -4.225 126 HB3 LYS 16 HB1 LYS 16 -1.167 -3.459 -4.903 127 HG2 LYS 16 HG2 LYS 16 -2.764 -2.313 -3.430 128 HG3 LYS 16 HG1 LYS 16 -1.448 -1.316 -2.813 129 HD2 LYS 16 HD2 LYS 16 -2.292 -1.451 -5.707 130 HD3 LYS 16 HD1 LYS 16 -2.803 -0.202 -4.573 131 HE2 LYS 16 HE2 LYS 16 -0.492 0.508 -4.280 132 HE3 LYS 16 HE1 LYS 16 0.056 -0.789 -5.345 133 HZ1 LYS 16 HZ1 LYS 16 -1.706 1.467 -6.140 134 HZ2 LYS 16 HZ2 LYS 16 -1.163 0.229 -7.159 135 HZ3 LYS 16 HZ3 LYS 16 -0.060 1.325 -6.503 136 H ASN 17 HN ASN 17 -1.842 -3.174 -0.809 137 HA ASN 17 HA ASN 17 0.143 -1.837 0.631 138 HB2 ASN 17 HB2 ASN 17 -2.172 -3.532 1.596 139 HB3 ASN 17 HB1 ASN 17 -1.084 -2.728 2.713 140 HD21 ASN 17 HD21 ASN 17 -0.748 -0.355 1.154 141 HD22 ASN 17 HD22 ASN 17 -2.246 0.503 1.218 142 H TYR 18 HN TYR 18 -0.766 -5.261 0.624 143 HA TYR 18 HA TYR 18 1.279 -6.129 2.376 144 HB2 TYR 18 HB2 TYR 18 -0.735 -7.455 1.826 145 HB3 TYR 18 HB1 TYR 18 -0.129 -7.680 0.191 146 HD1 TYR 18 HD1 TYR 18 1.006 -8.196 3.718 147 HD2 TYR 18 HD2 TYR 18 0.944 -9.664 -0.273 148 HE1 TYR 18 HE1 TYR 18 2.191 -10.221 4.453 149 HE2 TYR 18 HE2 TYR 18 2.129 -11.693 0.451 150 HH TYR 18 HH TYR 18 2.529 -12.527 3.732 151 H HIS 19 HN HIS 19 1.127 -5.839 -1.136 152 HA HIS 19 HA HIS 19 3.579 -7.062 -1.751 153 HB2 HIS 19 HB2 HIS 19 1.765 -6.550 -3.386 154 HB3 HIS 19 HB1 HIS 19 2.198 -4.848 -3.281 155 HD1 HIS 19 HD1 HIS 19 3.646 -4.116 -5.146 156 HD2 HIS 19 HD2 HIS 19 4.222 -8.129 -4.222 157 HE1 HIS 19 HE1 HIS 19 5.337 -4.959 -6.801 158 HE2 HIS 19 HE2 HIS 19 5.766 -7.347 -6.139 159 H LEU 20 HN LEU 20 2.784 -3.626 -1.295 160 HA LEU 20 HA LEU 20 5.406 -2.636 -1.676 161 HB2 LEU 20 HB2 LEU 20 3.264 -1.407 0.050 162 HB3 LEU 20 HB1 LEU 20 4.599 -0.567 -0.698 163 HG LEU 20 HG LEU 20 2.178 -1.722 -1.984 164 HD11 LEU 20 HD11 LEU 20 1.858 0.454 -1.030 165 HD12 LEU 20 HD12 LEU 20 1.827 0.551 -2.790 166 HD13 LEU 20 HD13 LEU 20 3.263 1.067 -1.904 167 HD21 LEU 20 HD21 LEU 20 4.037 -2.291 -3.418 168 HD22 LEU 20 HD22 LEU 20 4.635 -0.634 -3.341 169 HD23 LEU 20 HD23 LEU 20 3.107 -0.983 -4.150 170 H GLU 21 HN GLU 21 3.536 -3.460 1.198 171 HA GLU 21 HA GLU 21 5.410 -2.867 3.162 172 HB2 GLU 21 HB2 GLU 21 3.153 -4.782 2.972 173 HB3 GLU 21 HB1 GLU 21 4.318 -5.060 4.262 174 HG2 GLU 21 HG2 GLU 21 2.824 -2.492 3.787 175 HG3 GLU 21 HG1 GLU 21 2.393 -3.718 4.975 176 H ASN 22 HN ASN 22 5.065 -5.917 1.350 177 HA ASN 22 HA ASN 22 7.286 -7.208 2.503 178 HB2 ASN 22 HB2 ASN 22 5.982 -7.542 -0.197 179 HB3 ASN 22 HB1 ASN 22 7.309 -8.556 0.353 180 HD21 ASN 22 HD21 ASN 22 6.372 -8.573 3.128 181 HD22 ASN 22 HD22 ASN 22 5.002 -9.624 3.149 182 H GLU 23 HN GLU 23 6.972 -5.070 -0.281 183 HA GLU 23 HA GLU 23 9.613 -5.425 -1.240 184 HB2 GLU 23 HB2 GLU 23 7.707 -4.501 -2.564 185 HB3 GLU 23 HB1 GLU 23 7.822 -3.021 -1.621 186 HG2 GLU 23 HG2 GLU 23 8.922 -2.732 -3.739 187 HG3 GLU 23 HG1 GLU 23 10.113 -2.697 -2.441 188 H VAL 24 HN VAL 24 8.151 -2.962 0.868 189 HA VAL 24 HA VAL 24 10.431 -1.373 1.227 190 HB VAL 24 HB VAL 24 8.219 -1.880 3.241 191 HG11 VAL 24 HG11 VAL 24 10.205 -0.888 4.255 192 HG12 VAL 24 HG12 VAL 24 8.878 0.273 4.195 193 HG13 VAL 24 HG13 VAL 24 10.201 0.384 3.031 194 HG21 VAL 24 HG21 VAL 24 7.356 -1.041 1.113 195 HG22 VAL 24 HG22 VAL 24 8.495 0.303 1.179 196 HG23 VAL 24 HG23 VAL 24 7.216 0.171 2.387 197 H ALA 25 HN ALA 25 9.211 -4.128 3.108 198 HA ALA 25 HA ALA 25 11.134 -4.103 5.133 199 HB1 ALA 25 HB1 ALA 25 10.482 -6.421 5.555 200 HB2 ALA 25 HB2 ALA 25 9.672 -6.483 3.989 201 HB3 ALA 25 HB3 ALA 25 9.066 -5.412 5.252 202 H ARG 26 HN ARG 26 11.155 -5.717 1.979 203 HA ARG 26 HA ARG 26 13.573 -7.123 2.322 204 HB2 ARG 26 HB2 ARG 26 12.267 -6.075 -0.195 205 HB3 ARG 26 HB1 ARG 26 13.645 -7.165 -0.180 206 HG2 ARG 26 HG2 ARG 26 10.944 -7.773 1.004 207 HG3 ARG 26 HG1 ARG 26 11.513 -8.320 -0.573 208 HD2 ARG 26 HD2 ARG 26 13.324 -9.549 0.490 209 HD3 ARG 26 HD1 ARG 26 12.809 -8.967 2.072 210 HE ARG 26 HE ARG 26 10.630 -10.247 0.915 211 HH11 ARG 26 HH11 ARG 26 13.852 -11.060 1.992 212 HH12 ARG 26 HH12 ARG 26 13.428 -12.678 2.459 213 HH21 ARG 26 HH21 ARG 26 10.069 -12.391 1.494 214 HH22 ARG 26 HH22 ARG 26 11.283 -13.438 2.162 215 H LEU 27 HN LEU 27 12.898 -3.970 0.844 216 HA LEU 27 HA LEU 27 15.578 -3.347 0.214 217 HB2 LEU 27 HB2 LEU 27 13.034 -1.829 0.445 218 HB3 LEU 27 HB1 LEU 27 14.525 -0.926 0.463 219 HG LEU 27 HG LEU 27 15.077 -1.536 -1.736 220 HD11 LEU 27 HD11 LEU 27 13.863 -3.219 -3.030 221 HD12 LEU 27 HD12 LEU 27 12.879 -3.596 -1.615 222 HD13 LEU 27 HD13 LEU 27 14.613 -3.921 -1.597 223 HD21 LEU 27 HD21 LEU 27 13.097 -0.923 -3.043 224 HD22 LEU 27 HD22 LEU 27 13.315 0.117 -1.636 225 HD23 LEU 27 HD23 LEU 27 12.094 -1.154 -1.610 226 H LYS 28 HN LYS 28 13.589 -2.705 3.052 227 HA LYS 28 HA LYS 28 15.391 -0.970 4.348 228 HB2 LYS 28 HB2 LYS 28 12.975 -1.202 4.896 229 HB3 LYS 28 HB1 LYS 28 13.313 -2.777 5.591 230 HG2 LYS 28 HG2 LYS 28 13.148 -1.290 7.400 231 HG3 LYS 28 HG1 LYS 28 14.868 -1.605 7.191 232 HD2 LYS 28 HD2 LYS 28 13.697 0.747 5.797 233 HD3 LYS 28 HD1 LYS 28 13.916 0.846 7.542 234 HE2 LYS 28 HE2 LYS 28 16.069 0.223 5.521 235 HE3 LYS 28 HE1 LYS 28 15.840 1.761 6.343 236 HZ1 LYS 28 HZ1 LYS 28 16.291 0.674 8.443 237 HZ2 LYS 28 HZ2 LYS 28 17.577 0.430 7.373 238 HZ3 LYS 28 HZ3 LYS 28 16.475 -0.820 7.669 239 H LYS 29 HN LYS 29 15.269 -4.396 4.018 240 HA LYS 29 HA LYS 29 17.003 -5.052 6.188 241 HB2 LYS 29 HB2 LYS 29 15.438 -6.651 5.070 242 HB3 LYS 29 HB1 LYS 29 16.460 -6.595 3.643 243 HG2 LYS 29 HG2 LYS 29 16.957 -8.582 4.859 244 HG3 LYS 29 HG1 LYS 29 18.329 -7.479 5.012 245 HD2 LYS 29 HD2 LYS 29 17.577 -6.815 7.224 246 HD3 LYS 29 HD1 LYS 29 16.147 -7.847 7.067 247 HE2 LYS 29 HE2 LYS 29 17.867 -8.929 8.415 248 HE3 LYS 29 HE1 LYS 29 17.582 -9.815 6.920 249 HZ1 LYS 29 HZ1 LYS 29 19.936 -9.626 7.398 250 HZ2 LYS 29 HZ2 LYS 29 19.829 -7.942 7.418 251 HZ3 LYS 29 HZ3 LYS 29 19.558 -8.787 5.980 252 H LEU 30 HN LEU 30 17.407 -4.317 2.782 253 HA LEU 30 HA LEU 30 20.227 -4.792 2.735 254 HB2 LEU 30 HB2 LEU 30 18.260 -3.596 0.817 255 HB3 LEU 30 HB1 LEU 30 19.978 -3.397 0.537 256 HG LEU 30 HG LEU 30 20.203 -5.890 0.573 257 HD11 LEU 30 HD11 LEU 30 18.208 -7.246 0.262 258 HD12 LEU 30 HD12 LEU 30 17.196 -5.824 0.509 259 HD13 LEU 30 HD13 LEU 30 18.194 -6.435 1.827 260 HD21 LEU 30 HD21 LEU 30 19.305 -6.205 -1.670 261 HD22 LEU 30 HD22 LEU 30 20.105 -4.642 -1.513 262 HD23 LEU 30 HD23 LEU 30 18.345 -4.737 -1.496 263 H VAL 31 HN VAL 31 18.134 -1.959 2.998 264 HA VAL 31 HA VAL 31 20.411 -0.225 3.532 265 HB VAL 31 HB VAL 31 17.487 0.466 3.894 266 HG11 VAL 31 HG11 VAL 31 18.250 2.761 3.502 267 HG12 VAL 31 HG12 VAL 31 19.908 2.181 3.354 268 HG13 VAL 31 HG13 VAL 31 19.058 2.036 4.891 269 HG21 VAL 31 HG21 VAL 31 17.773 -0.362 1.630 270 HG22 VAL 31 HG22 VAL 31 19.143 0.723 1.387 271 HG23 VAL 31 HG23 VAL 31 17.525 1.384 1.620 272 H GLY 32 HN GLY 32 19.877 -2.566 5.141 273 HA2 GLY 32 HA2 GLY 32 19.637 -1.267 7.774 274 HA3 GLY 32 HA1 GLY 32 18.824 -2.790 7.429 275 H GLU 33 HN GLU 33 21.305 -3.367 5.682 276 HA GLU 33 HA GLU 33 22.741 -4.726 7.807 277 HB2 GLU 33 HB2 GLU 33 23.909 -5.875 5.912 278 HB3 GLU 33 HB1 GLU 33 22.166 -6.102 5.932 279 HG2 GLU 33 HG2 GLU 33 21.939 -4.371 4.208 280 HG3 GLU 33 HG1 GLU 33 23.691 -4.198 4.169 281 H1 GLY 1 HT1 GLY 1 -25.300 5.482 5.936 282 H2 GLY 1 HT2 GLY 1 -24.049 4.462 6.428 283 H3 GLY 1 HT3 GLY 1 -25.188 3.920 5.307 284 HA2 GLY 1 HA1 GLY 1 -24.424 5.519 3.686 285 HA3 GLY 1 HA2 GLY 1 -23.256 6.123 4.855 286 H SER 2 HN SER 2 -23.598 4.186 2.230 287 HA SER 2 HA SER 2 -21.504 2.323 3.096 288 HB2 SER 2 HB2 SER 2 -22.213 1.123 0.913 289 HB3 SER 2 HB1 SER 2 -23.296 1.044 2.302 290 HG SER 2 HG SER 2 -24.739 1.912 1.070 291 H MET 3 HN MET 3 -22.438 4.359 0.329 292 HA MET 3 HA MET 3 -20.233 3.817 -1.273 293 HB2 MET 3 HB2 MET 3 -21.864 6.352 -1.133 294 HB3 MET 3 HB1 MET 3 -20.742 5.953 -2.423 295 HG2 MET 3 HG2 MET 3 -23.188 4.352 -1.714 296 HG3 MET 3 HG1 MET 3 -23.094 5.541 -3.011 297 HE1 MET 3 HE1 MET 3 -21.276 2.275 -1.648 298 HE2 MET 3 HE2 MET 3 -21.547 1.243 -3.050 299 HE3 MET 3 HE3 MET 3 -22.920 1.895 -2.154 300 H LYS 4 HN LYS 4 -20.649 6.687 0.820 301 HA LYS 4 HA LYS 4 -18.032 7.626 0.155 302 HB2 LYS 4 HB2 LYS 4 -18.483 9.470 1.645 303 HB3 LYS 4 HB1 LYS 4 -19.897 9.165 0.650 304 HG2 LYS 4 HG2 LYS 4 -20.886 7.909 2.562 305 HG3 LYS 4 HG1 LYS 4 -19.511 8.415 3.538 306 HD2 LYS 4 HD2 LYS 4 -21.241 10.406 2.104 307 HD3 LYS 4 HD1 LYS 4 -21.678 9.784 3.693 308 HE2 LYS 4 HE2 LYS 4 -20.544 11.840 4.036 309 HE3 LYS 4 HE1 LYS 4 -19.435 10.558 4.509 310 HZ1 LYS 4 HZ1 LYS 4 -18.461 12.404 3.159 311 HZ2 LYS 4 HZ2 LYS 4 -19.360 11.847 1.839 312 HZ3 LYS 4 HZ3 LYS 4 -18.186 10.856 2.546 313 H GLN 5 HN GLN 5 -19.053 5.300 2.295 314 HA GLN 5 HA GLN 5 -16.985 5.894 4.278 315 HB2 GLN 5 HB2 GLN 5 -19.294 3.944 4.333 316 HB3 GLN 5 HB1 GLN 5 -18.076 4.064 5.597 317 HG2 GLN 5 HG2 GLN 5 -19.981 6.235 4.754 318 HG3 GLN 5 HG1 GLN 5 -20.089 5.257 6.217 319 HE21 GLN 5 HE21 GLN 5 -19.862 8.143 5.907 320 HE22 GLN 5 HE22 GLN 5 -18.447 8.608 6.787 321 H LEU 6 HN LEU 6 -18.192 3.327 2.182 322 HA LEU 6 HA LEU 6 -15.995 1.593 2.602 323 HB2 LEU 6 HB2 LEU 6 -18.205 1.777 0.608 324 HB3 LEU 6 HB1 LEU 6 -16.822 0.783 0.214 325 HG LEU 6 HG LEU 6 -18.737 -0.481 1.174 326 HD11 LEU 6 HD11 LEU 6 -16.387 -1.276 1.332 327 HD12 LEU 6 HD12 LEU 6 -17.442 -1.877 2.608 328 HD13 LEU 6 HD13 LEU 6 -16.306 -0.577 2.950 329 HD21 LEU 6 HD21 LEU 6 -19.553 1.188 2.745 330 HD22 LEU 6 HD22 LEU 6 -18.075 1.034 3.694 331 HD23 LEU 6 HD23 LEU 6 -19.189 -0.328 3.569 332 H GLU 7 HN GLU 7 -16.801 3.979 0.079 333 HA GLU 7 HA GLU 7 -14.409 3.652 -1.378 334 HB2 GLU 7 HB2 GLU 7 -16.257 6.023 -1.138 335 HB3 GLU 7 HB1 GLU 7 -14.872 5.986 -2.223 336 HG2 GLU 7 HG2 GLU 7 -15.830 4.027 -3.349 337 HG3 GLU 7 HG1 GLU 7 -17.235 4.123 -2.289 338 H ASP 8 HN ASP 8 -15.202 5.657 1.447 339 HA ASP 8 HA ASP 8 -12.778 7.090 1.524 340 HB2 ASP 8 HB2 ASP 8 -14.917 6.479 3.430 341 HB3 ASP 8 HB1 ASP 8 -13.338 6.688 4.183 342 H LYS 9 HN LYS 9 -13.632 3.961 2.967 343 HA LYS 9 HA LYS 9 -11.177 3.473 4.221 344 HB2 LYS 9 HB2 LYS 9 -13.241 1.543 3.160 345 HB3 LYS 9 HB1 LYS 9 -11.873 1.066 4.156 346 HG2 LYS 9 HG2 LYS 9 -14.057 2.974 4.971 347 HG3 LYS 9 HG1 LYS 9 -13.909 1.289 5.476 348 HD2 LYS 9 HD2 LYS 9 -11.771 1.800 6.545 349 HD3 LYS 9 HD1 LYS 9 -11.915 3.482 6.038 350 HE2 LYS 9 HE2 LYS 9 -13.930 3.729 7.379 351 HE3 LYS 9 HE1 LYS 9 -13.830 2.036 7.863 352 HZ1 LYS 9 HZ1 LYS 9 -12.942 3.541 9.550 353 HZ2 LYS 9 HZ2 LYS 9 -11.781 4.100 8.454 354 HZ3 LYS 9 HZ3 LYS 9 -11.752 2.489 8.966 355 H VAL 10 HN VAL 10 -12.280 2.660 0.949 356 HA VAL 10 HA VAL 10 -10.076 1.160 0.118 357 HB VAL 10 HB VAL 10 -11.500 3.141 -1.660 358 HG11 VAL 10 HG11 VAL 10 -9.554 2.113 -2.650 359 HG12 VAL 10 HG12 VAL 10 -11.014 1.480 -3.408 360 HG13 VAL 10 HG13 VAL 10 -10.148 0.510 -2.214 361 HG21 VAL 10 HG21 VAL 10 -13.184 1.540 -2.148 362 HG22 VAL 10 HG22 VAL 10 -13.121 1.708 -0.393 363 HG23 VAL 10 HG23 VAL 10 -12.381 0.311 -1.176 364 H GLU 11 HN GLU 11 -10.621 4.666 -0.007 365 HA GLU 11 HA GLU 11 -8.086 5.214 -1.224 366 HB2 GLU 11 HB2 GLU 11 -9.945 7.124 0.217 367 HB3 GLU 11 HB1 GLU 11 -8.662 7.556 -0.901 368 HG2 GLU 11 HG2 GLU 11 -11.163 6.026 -1.578 369 HG3 GLU 11 HG1 GLU 11 -10.839 7.716 -1.958 370 H GLU 12 HN GLU 12 -9.117 4.719 2.040 371 HA GLU 12 HA GLU 12 -7.009 6.157 3.313 372 HB2 GLU 12 HB2 GLU 12 -8.725 3.874 4.301 373 HB3 GLU 12 HB1 GLU 12 -7.558 4.727 5.302 374 HG2 GLU 12 HG2 GLU 12 -10.024 5.873 4.016 375 HG3 GLU 12 HG1 GLU 12 -9.755 5.581 5.733 376 H LEU 13 HN LEU 13 -7.457 2.805 2.272 377 HA LEU 13 HA LEU 13 -4.836 1.990 3.022 378 HB2 LEU 13 HB2 LEU 13 -6.789 0.855 1.027 379 HB3 LEU 13 HB1 LEU 13 -5.246 0.110 1.397 380 HG LEU 13 HG LEU 13 -7.539 0.521 3.319 381 HD11 LEU 13 HD11 LEU 13 -6.334 -1.984 2.162 382 HD12 LEU 13 HD12 LEU 13 -7.870 -1.265 1.679 383 HD13 LEU 13 HD13 LEU 13 -7.669 -1.898 3.313 384 HD21 LEU 13 HD21 LEU 13 -5.431 0.774 4.489 385 HD22 LEU 13 HD22 LEU 13 -4.818 -0.709 3.754 386 HD23 LEU 13 HD23 LEU 13 -6.164 -0.778 4.895 387 H LEU 14 HN LEU 14 -6.253 3.532 0.250 388 HA LEU 14 HA LEU 14 -4.081 3.368 -1.526 389 HB2 LEU 14 HB2 LEU 14 -6.490 4.200 -1.921 390 HB3 LEU 14 HB1 LEU 14 -5.913 5.738 -1.317 391 HG LEU 14 HG LEU 14 -4.157 5.688 -3.129 392 HD11 LEU 14 HD11 LEU 14 -4.253 3.277 -3.569 393 HD12 LEU 14 HD12 LEU 14 -4.535 4.232 -5.027 394 HD13 LEU 14 HD13 LEU 14 -5.894 3.473 -4.197 395 HD21 LEU 14 HD21 LEU 14 -6.162 7.067 -3.288 396 HD22 LEU 14 HD22 LEU 14 -7.047 5.710 -3.984 397 HD23 LEU 14 HD23 LEU 14 -5.701 6.431 -4.865 398 H SER 15 HN SER 15 -4.703 5.314 1.248 399 HA SER 15 HA SER 15 -2.802 7.360 0.745 400 HB2 SER 15 HB2 SER 15 -3.948 6.466 3.401 401 HB3 SER 15 HB1 SER 15 -3.182 8.015 3.056 402 HG SER 15 HG SER 15 -5.308 7.336 1.411 403 H LYS 16 HN LYS 16 -2.770 4.332 2.615 404 HA LYS 16 HA LYS 16 0.012 4.679 3.232 405 HB2 LYS 16 HB2 LYS 16 -0.035 2.438 4.182 406 HB3 LYS 16 HB1 LYS 16 -1.349 3.420 4.807 407 HG2 LYS 16 HG2 LYS 16 -2.894 2.285 3.270 408 HG3 LYS 16 HG1 LYS 16 -1.561 1.278 2.704 409 HD2 LYS 16 HD2 LYS 16 -2.518 1.418 5.562 410 HD3 LYS 16 HD1 LYS 16 -2.991 0.172 4.409 411 HE2 LYS 16 HE2 LYS 16 -0.673 -0.548 4.206 412 HE3 LYS 16 HE1 LYS 16 -0.163 0.739 5.301 413 HZ1 LYS 16 HZ1 LYS 16 -1.980 -1.501 6.006 414 HZ2 LYS 16 HZ2 LYS 16 -1.466 -0.282 7.054 415 HZ3 LYS 16 HZ3 LYS 16 -0.350 -1.388 6.436 416 H ASN 17 HN ASN 17 -1.857 3.148 0.687 417 HA ASN 17 HA ASN 17 0.176 1.794 -0.671 418 HB2 ASN 17 HB2 ASN 17 -2.089 3.508 -1.720 419 HB3 ASN 17 HB1 ASN 17 -0.961 2.701 -2.797 420 HD21 ASN 17 HD21 ASN 17 -0.702 0.321 -1.227 421 HD22 ASN 17 HD22 ASN 17 -2.202 -0.527 -1.359 422 H TYR 18 HN TYR 18 -0.714 5.227 -0.702 423 HA TYR 18 HA TYR 18 1.409 6.082 -2.363 424 HB2 TYR 18 HB2 TYR 18 -0.615 7.423 -1.889 425 HB3 TYR 18 HB1 TYR 18 -0.071 7.637 -0.229 426 HD1 TYR 18 HD1 TYR 18 1.205 8.150 -3.705 427 HD2 TYR 18 HD2 TYR 18 1.004 9.612 0.284 428 HE1 TYR 18 HE1 TYR 18 2.440 10.161 -4.387 429 HE2 TYR 18 HE2 TYR 18 2.242 11.629 -0.388 430 HH TYR 18 HH TYR 18 2.756 12.471 -3.640 431 H HIS 19 HN HIS 19 1.117 5.784 1.140 432 HA HIS 19 HA HIS 19 3.552 6.990 1.856 433 HB2 HIS 19 HB2 HIS 19 1.669 6.485 3.415 434 HB3 HIS 19 HB1 HIS 19 2.095 4.781 3.321 435 HD1 HIS 19 HD1 HIS 19 3.459 4.033 5.233 436 HD2 HIS 19 HD2 HIS 19 4.096 8.048 4.365 437 HE1 HIS 19 HE1 HIS 19 5.089 4.849 6.963 438 HE2 HIS 19 HE2 HIS 19 5.535 7.251 6.360 439 H LEU 20 HN LEU 20 2.750 3.558 1.368 440 HA LEU 20 HA LEU 20 5.345 2.548 1.851 441 HB2 LEU 20 HB2 LEU 20 3.268 1.339 0.036 442 HB3 LEU 20 HB1 LEU 20 4.566 0.488 0.834 443 HG LEU 20 HG LEU 20 2.105 1.659 2.027 444 HD11 LEU 20 HD11 LEU 20 1.805 -0.514 1.053 445 HD12 LEU 20 HD12 LEU 20 1.698 -0.613 2.810 446 HD13 LEU 20 HD13 LEU 20 3.164 -1.142 1.985 447 HD21 LEU 20 HD21 LEU 20 3.907 2.206 3.539 448 HD22 LEU 20 HD22 LEU 20 4.495 0.544 3.477 449 HD23 LEU 20 HD23 LEU 20 2.939 0.903 4.227 450 H GLU 21 HN GLU 21 3.602 3.381 -1.098 451 HA GLU 21 HA GLU 21 5.548 2.781 -2.984 452 HB2 GLU 21 HB2 GLU 21 3.302 4.715 -2.880 453 HB3 GLU 21 HB1 GLU 21 4.519 4.986 -4.120 454 HG2 GLU 21 HG2 GLU 21 2.986 2.430 -3.715 455 HG3 GLU 21 HG1 GLU 21 2.615 3.664 -4.916 456 H ASN 22 HN ASN 22 5.156 5.834 -1.186 457 HA ASN 22 HA ASN 22 7.435 7.108 -2.244 458 HB2 ASN 22 HB2 ASN 22 6.021 7.446 0.400 459 HB3 ASN 22 HB1 ASN 22 7.374 8.454 -0.093 460 HD21 ASN 22 HD21 ASN 22 6.562 8.485 -2.899 461 HD22 ASN 22 HD22 ASN 22 5.193 9.538 -2.979 462 H GLU 23 HN GLU 23 6.986 4.957 0.516 463 HA GLU 23 HA GLU 23 9.587 5.301 1.588 464 HB2 GLU 23 HB2 GLU 23 7.625 4.388 2.834 465 HB3 GLU 23 HB1 GLU 23 7.765 2.910 1.891 466 HG2 GLU 23 HG2 GLU 23 8.779 2.606 4.051 467 HG3 GLU 23 HG1 GLU 23 10.018 2.563 2.799 468 H VAL 24 HN VAL 24 8.195 2.858 -0.586 469 HA VAL 24 HA VAL 24 10.476 1.250 -0.851 470 HB VAL 24 HB VAL 24 8.351 1.774 -2.951 471 HG11 VAL 24 HG11 VAL 24 10.368 0.767 -3.885 472 HG12 VAL 24 HG12 VAL 24 9.031 -0.384 -3.879 473 HG13 VAL 24 HG13 VAL 24 10.304 -0.505 -2.663 474 HG21 VAL 24 HG21 VAL 24 7.393 0.940 -0.864 475 HG22 VAL 24 HG22 VAL 24 8.525 -0.414 -0.884 476 HG23 VAL 24 HG23 VAL 24 7.298 -0.270 -2.143 477 H ALA 25 HN ALA 25 9.353 4.020 -2.770 478 HA ALA 25 HA ALA 25 11.350 3.978 -4.722 479 HB1 ALA 25 HB1 ALA 25 10.736 6.302 -5.165 480 HB2 ALA 25 HB2 ALA 25 9.869 6.372 -3.632 481 HB3 ALA 25 HB3 ALA 25 9.300 5.306 -4.918 482 H ARG 26 HN ARG 26 11.261 5.597 -1.573 483 HA ARG 26 HA ARG 26 13.706 6.974 -1.807 484 HB2 ARG 26 HB2 ARG 26 12.289 5.929 0.652 485 HB3 ARG 26 HB1 ARG 26 13.671 7.013 0.693 486 HG2 ARG 26 HG2 ARG 26 11.026 7.638 -0.601 487 HG3 ARG 26 HG1 ARG 26 11.531 8.181 0.999 488 HD2 ARG 26 HD2 ARG 26 13.394 9.395 0.012 489 HD3 ARG 26 HD1 ARG 26 12.940 8.819 -1.589 490 HE ARG 26 HE ARG 26 10.727 10.119 -0.523 491 HH11 ARG 26 HH11 ARG 26 14.005 10.905 -1.472 492 HH12 ARG 26 HH12 ARG 26 13.614 12.534 -1.923 493 HH21 ARG 26 HH21 ARG 26 10.214 12.267 -1.099 494 HH22 ARG 26 HH22 ARG 26 11.462 13.309 -1.705 495 H LEU 27 HN LEU 27 12.946 3.825 -0.356 496 HA LEU 27 HA LEU 27 15.591 3.177 0.374 497 HB2 LEU 27 HB2 LEU 27 13.049 1.677 0.034 498 HB3 LEU 27 HB1 LEU 27 14.533 0.764 0.079 499 HG LEU 27 HG LEU 27 14.997 1.369 2.300 500 HD11 LEU 27 HD11 LEU 27 13.744 3.062 3.548 501 HD12 LEU 27 HD12 LEU 27 12.822 3.448 2.094 502 HD13 LEU 27 HD13 LEU 27 14.557 3.761 2.148 503 HD21 LEU 27 HD21 LEU 27 12.959 0.768 3.522 504 HD22 LEU 27 HD22 LEU 27 13.228 -0.270 2.124 505 HD23 LEU 27 HD23 LEU 27 12.019 1.010 2.050 506 H LYS 28 HN LYS 28 13.713 2.556 -2.545 507 HA LYS 28 HA LYS 28 15.553 0.809 -3.771 508 HB2 LYS 28 HB2 LYS 28 13.161 1.064 -4.420 509 HB3 LYS 28 HB1 LYS 28 13.545 2.637 -5.096 510 HG2 LYS 28 HG2 LYS 28 13.438 1.150 -6.913 511 HG3 LYS 28 HG1 LYS 28 15.152 1.453 -6.638 512 HD2 LYS 28 HD2 LYS 28 13.906 -0.892 -5.293 513 HD3 LYS 28 HD1 LYS 28 14.200 -0.992 -7.027 514 HE2 LYS 28 HE2 LYS 28 16.267 -0.395 -4.911 515 HE3 LYS 28 HE1 LYS 28 16.061 -1.925 -5.753 516 HZ1 LYS 28 HZ1 LYS 28 16.607 -0.832 -7.821 517 HZ2 LYS 28 HZ2 LYS 28 17.850 -0.601 -6.697 518 HZ3 LYS 28 HZ3 LYS 28 16.770 0.658 -7.035 519 H LYS 29 HN LYS 29 15.449 4.235 -3.432 520 HA LYS 29 HA LYS 29 17.273 4.881 -5.533 521 HB2 LYS 29 HB2 LYS 29 15.676 6.491 -4.477 522 HB3 LYS 29 HB1 LYS 29 16.638 6.426 -3.009 523 HG2 LYS 29 HG2 LYS 29 17.198 8.412 -4.204 524 HG3 LYS 29 HG1 LYS 29 18.569 7.298 -4.301 525 HD2 LYS 29 HD2 LYS 29 17.902 6.634 -6.542 526 HD3 LYS 29 HD1 LYS 29 16.474 7.678 -6.443 527 HE2 LYS 29 HE2 LYS 29 18.256 8.743 -7.725 528 HE3 LYS 29 HE1 LYS 29 17.915 9.637 -6.245 529 HZ1 LYS 29 HZ1 LYS 29 20.283 9.430 -6.617 530 HZ2 LYS 29 HZ2 LYS 29 20.166 7.746 -6.645 531 HZ3 LYS 29 HZ3 LYS 29 19.838 8.590 -5.220 532 H LEU 30 HN LEU 30 17.533 4.139 -2.113 533 HA LEU 30 HA LEU 30 20.352 4.588 -1.957 534 HB2 LEU 30 HB2 LEU 30 18.302 3.406 -0.120 535 HB3 LEU 30 HB1 LEU 30 20.006 3.194 0.227 536 HG LEU 30 HG LEU 30 20.250 5.687 0.208 537 HD11 LEU 30 HD11 LEU 30 18.255 7.059 0.438 538 HD12 LEU 30 HD12 LEU 30 17.243 5.644 0.147 539 HD13 LEU 30 HD13 LEU 30 18.299 6.251 -1.129 540 HD21 LEU 30 HD21 LEU 30 19.257 6.007 2.412 541 HD22 LEU 30 HD22 LEU 30 20.057 4.439 2.287 542 HD23 LEU 30 HD23 LEU 30 18.298 4.543 2.193 543 H VAL 31 HN VAL 31 18.245 1.771 -2.300 544 HA VAL 31 HA VAL 31 20.526 0.021 -2.755 545 HB VAL 31 HB VAL 31 17.615 -0.650 -3.236 546 HG11 VAL 31 HG11 VAL 31 18.351 -2.951 -2.819 547 HG12 VAL 31 HG12 VAL 31 20.004 -2.379 -2.601 548 HG13 VAL 31 HG13 VAL 31 19.219 -2.227 -4.173 549 HG21 VAL 31 HG21 VAL 31 17.819 0.177 -0.959 550 HG22 VAL 31 HG22 VAL 31 19.170 -0.919 -0.665 551 HG23 VAL 31 HG23 VAL 31 17.556 -1.567 -0.962 552 H GLY 32 HN GLY 32 20.072 2.372 -4.378 553 HA2 GLY 32 HA2 GLY 32 19.936 1.079 -7.020 554 HA3 GLY 32 HA1 GLY 32 19.122 2.609 -6.706 555 H GLU 33 HN GLU 33 21.526 3.168 -4.859 556 HA GLU 33 HA GLU 33 23.069 4.508 -6.918 557 HB2 GLU 33 HB2 GLU 33 24.168 5.644 -4.979 558 HB3 GLU 33 HB1 GLU 33 22.430 5.886 -5.068 559 HG2 GLU 33 HG2 GLU 33 22.116 4.160 -3.353 560 HG3 GLU 33 HG1 GLU 33 23.864 3.969 -3.247 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 -27.454 -5.934 -0.696 2 H2 GLY 1 HT2 GLY 1 -25.920 -6.618 -0.875 3 H3 GLY 1 HT3 GLY 1 -26.765 -6.078 -2.234 4 HA2 GLY 1 HA1 GLY 1 -26.639 -3.803 -1.442 5 HA3 GLY 1 HA2 GLY 1 -25.744 -4.370 -0.038 6 H SER 2 HN SER 2 -23.919 -3.141 -0.538 7 HA SER 2 HA SER 2 -22.398 -4.172 -2.834 8 HB2 SER 2 HB2 SER 2 -21.341 -1.862 -2.933 9 HB3 SER 2 HB1 SER 2 -23.026 -1.958 -3.443 10 HG SER 2 HG SER 2 -23.623 -1.185 -1.378 11 H MET 3 HN MET 3 -22.494 -4.828 0.110 12 HA MET 3 HA MET 3 -20.210 -3.837 1.405 13 HB2 MET 3 HB2 MET 3 -21.891 -6.287 1.769 14 HB3 MET 3 HB1 MET 3 -20.414 -6.094 2.695 15 HG2 MET 3 HG2 MET 3 -22.362 -5.375 3.953 16 HG3 MET 3 HG1 MET 3 -21.256 -4.038 3.664 17 HE1 MET 3 HE1 MET 3 -23.217 -1.501 1.728 18 HE2 MET 3 HE2 MET 3 -21.741 -2.386 1.347 19 HE3 MET 3 HE3 MET 3 -22.025 -1.812 2.990 20 H LYS 4 HN LYS 4 -20.613 -6.387 -0.919 21 HA LYS 4 HA LYS 4 -18.010 -7.529 -0.539 22 HB2 LYS 4 HB2 LYS 4 -19.996 -7.824 -2.798 23 HB3 LYS 4 HB1 LYS 4 -18.513 -8.754 -2.646 24 HG2 LYS 4 HG2 LYS 4 -19.330 -9.720 -0.557 25 HG3 LYS 4 HG1 LYS 4 -20.820 -8.788 -0.709 26 HD2 LYS 4 HD2 LYS 4 -21.324 -9.931 -2.809 27 HD3 LYS 4 HD1 LYS 4 -19.827 -10.851 -2.675 28 HE2 LYS 4 HE2 LYS 4 -21.728 -12.184 -1.952 29 HE3 LYS 4 HE1 LYS 4 -20.640 -11.866 -0.604 30 HZ1 LYS 4 HZ1 LYS 4 -22.117 -10.167 0.186 31 HZ2 LYS 4 HZ2 LYS 4 -22.992 -11.597 -0.023 32 HZ3 LYS 4 HZ3 LYS 4 -23.132 -10.351 -1.154 33 H GLN 5 HN GLN 5 -18.996 -4.662 -1.804 34 HA GLN 5 HA GLN 5 -16.921 -4.570 -3.860 35 HB2 GLN 5 HB2 GLN 5 -19.291 -2.805 -3.287 36 HB3 GLN 5 HB1 GLN 5 -17.979 -2.277 -4.332 37 HG2 GLN 5 HG2 GLN 5 -19.566 -4.789 -4.778 38 HG3 GLN 5 HG1 GLN 5 -19.955 -3.233 -5.511 39 HE21 GLN 5 HE21 GLN 5 -19.651 -4.014 -7.581 40 HE22 GLN 5 HE22 GLN 5 -18.086 -4.366 -8.225 41 H LEU 6 HN LEU 6 -18.050 -3.015 -0.899 42 HA LEU 6 HA LEU 6 -15.873 -1.251 -0.568 43 HB2 LEU 6 HB2 LEU 6 -17.601 -2.723 1.441 44 HB3 LEU 6 HB1 LEU 6 -16.307 -1.696 1.988 45 HG LEU 6 HG LEU 6 -17.572 0.132 0.633 46 HD11 LEU 6 HD11 LEU 6 -19.660 -1.993 1.009 47 HD12 LEU 6 HD12 LEU 6 -19.142 -1.222 -0.498 48 HD13 LEU 6 HD13 LEU 6 -20.023 -0.292 0.713 49 HD21 LEU 6 HD21 LEU 6 -18.928 0.619 2.618 50 HD22 LEU 6 HD22 LEU 6 -17.285 0.143 3.045 51 HD23 LEU 6 HD23 LEU 6 -18.610 -1.007 3.225 52 H GLU 7 HN GLU 7 -16.509 -4.527 0.679 53 HA GLU 7 HA GLU 7 -14.012 -4.888 1.899 54 HB2 GLU 7 HB2 GLU 7 -16.015 -6.903 0.886 55 HB3 GLU 7 HB1 GLU 7 -14.600 -7.328 1.841 56 HG2 GLU 7 HG2 GLU 7 -15.410 -5.992 3.689 57 HG3 GLU 7 HG1 GLU 7 -16.798 -5.473 2.734 58 H ASP 8 HN ASP 8 -15.081 -5.554 -1.428 59 HA ASP 8 HA ASP 8 -12.686 -7.112 -1.931 60 HB2 ASP 8 HB2 ASP 8 -15.027 -6.323 -3.565 61 HB3 ASP 8 HB1 ASP 8 -13.537 -6.697 -4.424 62 H LYS 9 HN LYS 9 -13.691 -3.793 -2.627 63 HA LYS 9 HA LYS 9 -11.434 -3.309 -4.325 64 HB2 LYS 9 HB2 LYS 9 -13.434 -1.426 -3.080 65 HB3 LYS 9 HB1 LYS 9 -12.173 -0.918 -4.193 66 HG2 LYS 9 HG2 LYS 9 -14.324 -2.922 -4.845 67 HG3 LYS 9 HG1 LYS 9 -14.379 -1.209 -5.263 68 HD2 LYS 9 HD2 LYS 9 -12.359 -1.465 -6.608 69 HD3 LYS 9 HD1 LYS 9 -12.270 -3.170 -6.168 70 HE2 LYS 9 HE2 LYS 9 -14.561 -1.891 -7.654 71 HE3 LYS 9 HE1 LYS 9 -13.244 -2.781 -8.413 72 HZ1 LYS 9 HZ1 LYS 9 -13.918 -4.720 -7.044 73 HZ2 LYS 9 HZ2 LYS 9 -15.079 -4.243 -8.172 74 HZ3 LYS 9 HZ3 LYS 9 -15.282 -3.854 -6.538 75 H VAL 10 HN VAL 10 -12.203 -2.621 -0.938 76 HA VAL 10 HA VAL 10 -9.918 -1.016 -0.445 77 HB VAL 10 HB VAL 10 -11.376 -2.696 1.592 78 HG11 VAL 10 HG11 VAL 10 -10.599 -0.980 3.172 79 HG12 VAL 10 HG12 VAL 10 -9.710 -0.206 1.858 80 HG13 VAL 10 HG13 VAL 10 -9.266 -1.830 2.391 81 HG21 VAL 10 HG21 VAL 10 -11.960 0.140 0.778 82 HG22 VAL 10 HG22 VAL 10 -12.755 -0.761 2.069 83 HG23 VAL 10 HG23 VAL 10 -12.957 -1.262 0.390 84 H GLU 11 HN GLU 11 -10.589 -4.460 0.176 85 HA GLU 11 HA GLU 11 -8.001 -4.998 1.219 86 HB2 GLU 11 HB2 GLU 11 -10.128 -6.852 0.133 87 HB3 GLU 11 HB1 GLU 11 -8.647 -7.400 0.907 88 HG2 GLU 11 HG2 GLU 11 -9.283 -6.244 2.957 89 HG3 GLU 11 HG1 GLU 11 -10.766 -5.687 2.185 90 H GLU 12 HN GLU 12 -9.133 -4.562 -1.953 91 HA GLU 12 HA GLU 12 -7.214 -6.099 -3.363 92 HB2 GLU 12 HB2 GLU 12 -9.240 -5.150 -4.431 93 HB3 GLU 12 HB1 GLU 12 -8.598 -3.534 -4.191 94 HG2 GLU 12 HG2 GLU 12 -8.261 -4.214 -6.470 95 HG3 GLU 12 HG1 GLU 12 -6.704 -4.088 -5.653 96 H LEU 13 HN LEU 13 -7.337 -2.707 -2.300 97 HA LEU 13 HA LEU 13 -4.612 -2.207 -3.019 98 HB2 LEU 13 HB2 LEU 13 -6.531 -0.719 -1.240 99 HB3 LEU 13 HB1 LEU 13 -4.895 -0.172 -1.553 100 HG LEU 13 HG LEU 13 -7.089 -0.493 -3.602 101 HD11 LEU 13 HD11 LEU 13 -7.313 1.441 -2.099 102 HD12 LEU 13 HD12 LEU 13 -6.987 1.912 -3.766 103 HD13 LEU 13 HD13 LEU 13 -5.696 1.967 -2.566 104 HD21 LEU 13 HD21 LEU 13 -4.229 0.419 -3.920 105 HD22 LEU 13 HD22 LEU 13 -5.480 0.534 -5.159 106 HD23 LEU 13 HD23 LEU 13 -4.946 -1.046 -4.591 107 H LEU 14 HN LEU 14 -6.227 -3.512 -0.249 108 HA LEU 14 HA LEU 14 -4.139 -3.354 1.635 109 HB2 LEU 14 HB2 LEU 14 -6.532 -4.083 2.027 110 HB3 LEU 14 HB1 LEU 14 -6.098 -5.623 1.316 111 HG LEU 14 HG LEU 14 -4.371 -5.889 3.122 112 HD11 LEU 14 HD11 LEU 14 -5.819 -3.533 4.317 113 HD12 LEU 14 HD12 LEU 14 -4.156 -3.530 3.724 114 HD13 LEU 14 HD13 LEU 14 -4.595 -4.516 5.120 115 HD21 LEU 14 HD21 LEU 14 -5.998 -6.543 4.821 116 HD22 LEU 14 HD22 LEU 14 -6.535 -7.016 3.210 117 HD23 LEU 14 HD23 LEU 14 -7.244 -5.606 3.998 118 H SER 15 HN SER 15 -4.788 -5.474 -1.035 119 HA SER 15 HA SER 15 -2.796 -7.416 -0.443 120 HB2 SER 15 HB2 SER 15 -4.162 -6.782 -3.073 121 HB3 SER 15 HB1 SER 15 -3.246 -8.245 -2.709 122 HG SER 15 HG SER 15 -5.609 -7.387 -1.368 123 H LYS 16 HN LYS 16 -2.949 -4.467 -2.401 124 HA LYS 16 HA LYS 16 -0.290 -4.673 -3.350 125 HB2 LYS 16 HB2 LYS 16 -2.286 -2.505 -3.242 126 HB3 LYS 16 HB1 LYS 16 -0.595 -2.004 -3.201 127 HG2 LYS 16 HG2 LYS 16 -0.616 -3.838 -5.234 128 HG3 LYS 16 HG1 LYS 16 -2.186 -3.049 -5.408 129 HD2 LYS 16 HD2 LYS 16 0.453 -1.598 -5.179 130 HD3 LYS 16 HD1 LYS 16 -0.375 -1.940 -6.699 131 HE2 LYS 16 HE2 LYS 16 -1.669 -0.413 -4.456 132 HE3 LYS 16 HE1 LYS 16 -0.711 0.381 -5.706 133 HZ1 LYS 16 HZ1 LYS 16 -3.151 -1.260 -6.142 134 HZ2 LYS 16 HZ2 LYS 16 -2.216 -0.565 -7.366 135 HZ3 LYS 16 HZ3 LYS 16 -3.040 0.422 -6.274 136 H ASN 17 HN ASN 17 -1.680 -2.954 -0.525 137 HA ASN 17 HA ASN 17 0.705 -1.977 0.554 138 HB2 ASN 17 HB2 ASN 17 -1.839 -2.952 1.856 139 HB3 ASN 17 HB1 ASN 17 -0.467 -2.450 2.836 140 HD21 ASN 17 HD21 ASN 17 -3.086 -1.446 0.875 141 HD22 ASN 17 HD22 ASN 17 -2.867 0.258 1.083 142 H TYR 18 HN TYR 18 -0.727 -5.215 0.713 143 HA TYR 18 HA TYR 18 1.162 -6.339 2.478 144 HB2 TYR 18 HB2 TYR 18 -0.902 -7.497 1.884 145 HB3 TYR 18 HB1 TYR 18 -0.376 -7.627 0.210 146 HD1 TYR 18 HD1 TYR 18 0.920 -8.504 3.611 147 HD2 TYR 18 HD2 TYR 18 0.424 -9.678 -0.445 148 HE1 TYR 18 HE1 TYR 18 1.958 -10.673 4.116 149 HE2 TYR 18 HE2 TYR 18 1.461 -11.850 0.051 150 HH TYR 18 HH TYR 18 2.085 -12.900 3.273 151 H HIS 19 HN HIS 19 1.095 -6.433 -1.088 152 HA HIS 19 HA HIS 19 3.641 -7.667 -1.309 153 HB2 HIS 19 HB2 HIS 19 1.827 -7.775 -3.027 154 HB3 HIS 19 HB1 HIS 19 2.157 -6.093 -3.420 155 HD1 HIS 19 HD1 HIS 19 3.693 -9.524 -3.657 156 HD2 HIS 19 HD2 HIS 19 4.319 -5.676 -5.094 157 HE1 HIS 19 HE1 HIS 19 5.450 -9.746 -5.440 158 HE2 HIS 19 HE2 HIS 19 5.696 -7.431 -6.396 159 H LEU 20 HN LEU 20 2.576 -4.298 -1.452 160 HA LEU 20 HA LEU 20 5.015 -3.228 -2.335 161 HB2 LEU 20 HB2 LEU 20 2.892 -2.091 -2.628 162 HB3 LEU 20 HB1 LEU 20 2.644 -2.024 -0.896 163 HG LEU 20 HG LEU 20 4.417 -0.516 -0.635 164 HD11 LEU 20 HD11 LEU 20 5.596 0.436 -2.570 165 HD12 LEU 20 HD12 LEU 20 4.824 -0.772 -3.594 166 HD13 LEU 20 HD13 LEU 20 5.943 -1.274 -2.326 167 HD21 LEU 20 HD21 LEU 20 3.572 1.420 -1.871 168 HD22 LEU 20 HD22 LEU 20 2.274 0.458 -1.149 169 HD23 LEU 20 HD23 LEU 20 2.613 0.329 -2.874 170 H GLU 21 HN GLU 21 3.691 -3.925 0.875 171 HA GLU 21 HA GLU 21 5.870 -2.713 2.275 172 HB2 GLU 21 HB2 GLU 21 3.440 -3.360 3.112 173 HB3 GLU 21 HB1 GLU 21 4.218 -4.889 3.496 174 HG2 GLU 21 HG2 GLU 21 5.158 -2.211 4.499 175 HG3 GLU 21 HG1 GLU 21 4.079 -3.282 5.388 176 H ASN 22 HN ASN 22 5.115 -5.937 1.059 177 HA ASN 22 HA ASN 22 7.351 -7.276 2.132 178 HB2 ASN 22 HB2 ASN 22 5.822 -7.736 -0.438 179 HB3 ASN 22 HB1 ASN 22 7.117 -8.790 0.109 180 HD21 ASN 22 HD21 ASN 22 6.353 -8.488 2.932 181 HD22 ASN 22 HD22 ASN 22 4.931 -9.447 3.133 182 H GLU 23 HN GLU 23 6.909 -5.299 -0.739 183 HA GLU 23 HA GLU 23 9.527 -5.627 -1.774 184 HB2 GLU 23 HB2 GLU 23 7.614 -4.759 -3.086 185 HB3 GLU 23 HB1 GLU 23 7.619 -3.302 -2.105 186 HG2 GLU 23 HG2 GLU 23 9.806 -2.704 -2.933 187 HG3 GLU 23 HG1 GLU 23 9.900 -4.211 -3.845 188 H VAL 24 HN VAL 24 8.074 -3.318 0.480 189 HA VAL 24 HA VAL 24 10.296 -1.660 0.864 190 HB VAL 24 HB VAL 24 8.043 -2.395 2.762 191 HG11 VAL 24 HG11 VAL 24 8.769 -0.551 4.176 192 HG12 VAL 24 HG12 VAL 24 10.145 -0.248 3.111 193 HG13 VAL 24 HG13 VAL 24 10.062 -1.746 4.043 194 HG21 VAL 24 HG21 VAL 24 7.375 -1.115 0.832 195 HG22 VAL 24 HG22 VAL 24 8.651 0.063 1.143 196 HG23 VAL 24 HG23 VAL 24 7.316 -0.109 2.279 197 H ALA 25 HN ALA 25 9.299 -4.607 2.590 198 HA ALA 25 HA ALA 25 11.374 -4.655 4.472 199 HB1 ALA 25 HB1 ALA 25 9.361 -6.037 4.663 200 HB2 ALA 25 HB2 ALA 25 10.822 -7.022 4.767 201 HB3 ALA 25 HB3 ALA 25 9.882 -6.991 3.274 202 H ARG 26 HN ARG 26 11.162 -5.982 1.214 203 HA ARG 26 HA ARG 26 13.602 -7.329 1.090 204 HB2 ARG 26 HB2 ARG 26 11.899 -7.476 -0.666 205 HB3 ARG 26 HB1 ARG 26 12.168 -5.790 -1.082 206 HG2 ARG 26 HG2 ARG 26 14.454 -6.324 -1.767 207 HG3 ARG 26 HG1 ARG 26 14.174 -8.018 -1.359 208 HD2 ARG 26 HD2 ARG 26 12.700 -6.416 -3.444 209 HD3 ARG 26 HD1 ARG 26 13.918 -7.652 -3.750 210 HE ARG 26 HE ARG 26 11.915 -8.826 -2.217 211 HH11 ARG 26 HH11 ARG 26 12.273 -7.412 -5.391 212 HH12 ARG 26 HH12 ARG 26 11.029 -8.385 -6.108 213 HH21 ARG 26 HH21 ARG 26 10.266 -10.100 -3.143 214 HH22 ARG 26 HH22 ARG 26 9.885 -9.919 -4.830 215 H LEU 27 HN LEU 27 12.852 -3.999 0.133 216 HA LEU 27 HA LEU 27 15.483 -3.239 -0.479 217 HB2 LEU 27 HB2 LEU 27 12.965 -1.780 0.160 218 HB3 LEU 27 HB1 LEU 27 14.468 -0.907 0.154 219 HG LEU 27 HG LEU 27 14.808 -1.233 -2.155 220 HD11 LEU 27 HD11 LEU 27 14.218 -3.597 -2.306 221 HD12 LEU 27 HD12 LEU 27 13.393 -2.656 -3.547 222 HD13 LEU 27 HD13 LEU 27 12.513 -3.191 -2.116 223 HD21 LEU 27 HD21 LEU 27 11.889 -0.730 -1.633 224 HD22 LEU 27 HD22 LEU 27 12.720 -0.381 -3.148 225 HD23 LEU 27 HD23 LEU 27 13.182 0.468 -1.673 226 H LYS 28 HN LYS 28 13.642 -3.103 2.525 227 HA LYS 28 HA LYS 28 15.368 -1.492 4.013 228 HB2 LYS 28 HB2 LYS 28 13.119 -2.081 4.772 229 HB3 LYS 28 HB1 LYS 28 13.602 -3.759 4.955 230 HG2 LYS 28 HG2 LYS 28 13.519 -2.642 7.102 231 HG3 LYS 28 HG1 LYS 28 15.167 -3.131 6.714 232 HD2 LYS 28 HD2 LYS 28 15.236 -0.925 7.640 233 HD3 LYS 28 HD1 LYS 28 15.598 -0.807 5.919 234 HE2 LYS 28 HE2 LYS 28 13.318 -0.103 5.467 235 HE3 LYS 28 HE1 LYS 28 12.906 -0.284 7.172 236 HZ1 LYS 28 HZ1 LYS 28 14.488 1.457 7.702 237 HZ2 LYS 28 HZ2 LYS 28 13.346 2.025 6.597 238 HZ3 LYS 28 HZ3 LYS 28 14.902 1.625 6.074 239 H LYS 29 HN LYS 29 15.345 -5.017 3.583 240 HA LYS 29 HA LYS 29 17.613 -5.433 5.279 241 HB2 LYS 29 HB2 LYS 29 16.393 -7.255 3.198 242 HB3 LYS 29 HB1 LYS 29 17.583 -7.734 4.401 243 HG2 LYS 29 HG2 LYS 29 15.959 -7.119 6.174 244 HG3 LYS 29 HG1 LYS 29 14.765 -6.806 4.911 245 HD2 LYS 29 HD2 LYS 29 16.146 -9.443 5.429 246 HD3 LYS 29 HD1 LYS 29 14.481 -9.039 5.874 247 HE2 LYS 29 HE2 LYS 29 13.919 -8.745 3.518 248 HE3 LYS 29 HE1 LYS 29 15.583 -9.105 3.066 249 HZ1 LYS 29 HZ1 LYS 29 14.207 -11.039 2.778 250 HZ2 LYS 29 HZ2 LYS 29 13.687 -10.967 4.385 251 HZ3 LYS 29 HZ3 LYS 29 15.304 -11.319 4.035 252 H LEU 30 HN LEU 30 17.220 -4.353 2.100 253 HA LEU 30 HA LEU 30 19.816 -5.248 1.182 254 HB2 LEU 30 HB2 LEU 30 17.687 -3.550 -0.087 255 HB3 LEU 30 HB1 LEU 30 19.234 -3.871 -0.847 256 HG LEU 30 HG LEU 30 17.353 -6.073 -0.008 257 HD11 LEU 30 HD11 LEU 30 16.725 -6.182 -2.395 258 HD12 LEU 30 HD12 LEU 30 17.565 -4.650 -2.648 259 HD13 LEU 30 HD13 LEU 30 16.162 -4.726 -1.580 260 HD21 LEU 30 HD21 LEU 30 19.749 -5.952 -1.833 261 HD22 LEU 30 HD22 LEU 30 18.645 -7.321 -1.748 262 HD23 LEU 30 HD23 LEU 30 19.587 -6.864 -0.333 263 H VAL 31 HN VAL 31 18.271 -2.277 2.297 264 HA VAL 31 HA VAL 31 20.673 -0.712 2.118 265 HB VAL 31 HB VAL 31 18.299 -0.253 3.944 266 HG11 VAL 31 HG11 VAL 31 20.278 1.040 4.547 267 HG12 VAL 31 HG12 VAL 31 19.010 2.086 3.910 268 HG13 VAL 31 HG13 VAL 31 20.387 1.657 2.898 269 HG21 VAL 31 HG21 VAL 31 18.747 0.769 1.142 270 HG22 VAL 31 HG22 VAL 31 17.438 1.258 2.218 271 HG23 VAL 31 HG23 VAL 31 17.530 -0.406 1.644 272 H GLY 32 HN GLY 32 19.205 -2.888 4.365 273 HA2 GLY 32 HA2 GLY 32 20.793 -2.256 6.637 274 HA3 GLY 32 HA1 GLY 32 19.834 -3.709 6.401 275 H GLU 33 HN GLU 33 20.861 -5.086 4.487 276 HA GLU 33 HA GLU 33 22.473 -6.575 3.953 277 HB2 GLU 33 HB2 GLU 33 24.326 -4.279 4.607 278 HB3 GLU 33 HB1 GLU 33 24.822 -5.773 3.824 279 HG2 GLU 33 HG2 GLU 33 22.828 -3.802 2.732 280 HG3 GLU 33 HG1 GLU 33 24.512 -3.947 2.233 281 H1 GLY 1 HT1 GLY 1 -27.413 6.103 -0.451 282 H2 GLY 1 HT2 GLY 1 -25.883 6.777 -0.215 283 H3 GLY 1 HT3 GLY 1 -26.782 6.239 1.113 284 HA2 GLY 1 HA1 GLY 1 -26.644 3.965 0.324 285 HA3 GLY 1 HA2 GLY 1 -25.692 4.526 -1.044 286 H SER 2 HN SER 2 -23.897 3.277 -0.473 287 HA SER 2 HA SER 2 -22.461 4.292 1.886 288 HB2 SER 2 HB2 SER 2 -21.427 1.975 2.016 289 HB3 SER 2 HB1 SER 2 -23.129 2.081 2.461 290 HG SER 2 HG SER 2 -23.657 1.310 0.386 291 H MET 3 HN MET 3 -22.427 4.958 -1.058 292 HA MET 3 HA MET 3 -20.103 3.950 -2.264 293 HB2 MET 3 HB2 MET 3 -21.748 6.412 -2.687 294 HB3 MET 3 HB1 MET 3 -20.236 6.214 -3.554 295 HG2 MET 3 HG2 MET 3 -22.132 5.511 -4.897 296 HG3 MET 3 HG1 MET 3 -21.054 4.163 -4.560 297 HE1 MET 3 HE1 MET 3 -23.119 1.641 -2.716 298 HE2 MET 3 HE2 MET 3 -21.651 2.509 -2.276 299 HE3 MET 3 HE3 MET 3 -21.876 1.941 -3.930 300 H LYS 4 HN LYS 4 -20.579 6.499 0.045 301 HA LYS 4 HA LYS 4 -17.954 7.625 -0.219 302 HB2 LYS 4 HB2 LYS 4 -20.033 7.928 1.955 303 HB3 LYS 4 HB1 LYS 4 -18.536 8.843 1.871 304 HG2 LYS 4 HG2 LYS 4 -19.251 9.826 -0.247 305 HG3 LYS 4 HG1 LYS 4 -20.755 8.906 -0.164 306 HD2 LYS 4 HD2 LYS 4 -21.337 10.047 1.920 307 HD3 LYS 4 HD1 LYS 4 -19.830 10.958 1.846 308 HE2 LYS 4 HE2 LYS 4 -21.690 12.306 1.049 309 HE3 LYS 4 HE1 LYS 4 -20.551 11.980 -0.256 310 HZ1 LYS 4 HZ1 LYS 4 -22.012 10.294 -1.104 311 HZ2 LYS 4 HZ2 LYS 4 -22.883 11.731 -0.929 312 HZ3 LYS 4 HZ3 LYS 4 -23.076 10.484 0.194 313 H GLN 5 HN GLN 5 -19.016 4.766 0.999 314 HA GLN 5 HA GLN 5 -17.027 4.651 3.134 315 HB2 GLN 5 HB2 GLN 5 -19.387 2.904 2.465 316 HB3 GLN 5 HB1 GLN 5 -18.121 2.367 3.560 317 HG2 GLN 5 HG2 GLN 5 -19.703 4.891 3.950 318 HG3 GLN 5 HG1 GLN 5 -20.140 3.338 4.659 319 HE21 GLN 5 HE21 GLN 5 -19.912 4.101 6.745 320 HE22 GLN 5 HE22 GLN 5 -18.370 4.440 7.454 321 H LEU 6 HN LEU 6 -18.046 3.109 0.125 322 HA LEU 6 HA LEU 6 -15.872 1.326 -0.119 323 HB2 LEU 6 HB2 LEU 6 -17.505 2.816 -2.193 324 HB3 LEU 6 HB1 LEU 6 -16.197 1.781 -2.691 325 HG LEU 6 HG LEU 6 -17.529 -0.040 -1.388 326 HD11 LEU 6 HD11 LEU 6 -19.582 2.102 -1.850 327 HD12 LEU 6 HD12 LEU 6 -19.134 1.326 -0.324 328 HD13 LEU 6 HD13 LEU 6 -19.972 0.404 -1.571 329 HD21 LEU 6 HD21 LEU 6 -18.806 -0.515 -3.428 330 HD22 LEU 6 HD22 LEU 6 -17.142 -0.051 -3.786 331 HD23 LEU 6 HD23 LEU 6 -18.451 1.108 -4.018 332 H GLU 7 HN GLU 7 -16.430 4.606 -1.386 333 HA GLU 7 HA GLU 7 -13.884 4.948 -2.503 334 HB2 GLU 7 HB2 GLU 7 -15.908 6.977 -1.568 335 HB3 GLU 7 HB1 GLU 7 -14.453 7.389 -2.464 336 HG2 GLU 7 HG2 GLU 7 -15.199 6.063 -4.346 337 HG3 GLU 7 HG1 GLU 7 -16.630 5.561 -3.446 338 H ASP 8 HN ASP 8 -15.082 5.624 0.779 339 HA ASP 8 HA ASP 8 -12.693 7.155 1.380 340 HB2 ASP 8 HB2 ASP 8 -15.107 6.392 2.919 341 HB3 ASP 8 HB1 ASP 8 -13.646 6.762 3.834 342 H LYS 9 HN LYS 9 -13.757 3.847 2.030 343 HA LYS 9 HA LYS 9 -11.571 3.344 3.818 344 HB2 LYS 9 HB2 LYS 9 -13.536 1.479 2.488 345 HB3 LYS 9 HB1 LYS 9 -12.323 0.958 3.650 346 HG2 LYS 9 HG2 LYS 9 -14.484 2.979 4.223 347 HG3 LYS 9 HG1 LYS 9 -14.569 1.266 4.634 348 HD2 LYS 9 HD2 LYS 9 -12.605 1.501 6.062 349 HD3 LYS 9 HD1 LYS 9 -12.480 3.204 5.627 350 HE2 LYS 9 HE2 LYS 9 -14.840 1.951 7.022 351 HE3 LYS 9 HE1 LYS 9 -13.545 2.831 7.831 352 HZ1 LYS 9 HZ1 LYS 9 -14.149 4.772 6.432 353 HZ2 LYS 9 HZ2 LYS 9 -15.360 4.310 7.511 354 HZ3 LYS 9 HZ3 LYS 9 -15.499 3.918 5.873 355 H VAL 10 HN VAL 10 -12.211 2.670 0.398 356 HA VAL 10 HA VAL 10 -9.921 1.045 -0.003 357 HB VAL 10 HB VAL 10 -11.282 2.740 -2.096 358 HG11 VAL 10 HG11 VAL 10 -10.453 1.016 -3.642 359 HG12 VAL 10 HG12 VAL 10 -9.623 0.237 -2.292 360 HG13 VAL 10 HG13 VAL 10 -9.147 1.858 -2.808 361 HG21 VAL 10 HG21 VAL 10 -11.921 -0.093 -1.308 362 HG22 VAL 10 HG22 VAL 10 -12.655 0.815 -2.628 363 HG23 VAL 10 HG23 VAL 10 -12.920 1.317 -0.958 364 H GLU 11 HN GLU 11 -10.538 4.496 -0.637 365 HA GLU 11 HA GLU 11 -7.904 5.015 -1.578 366 HB2 GLU 11 HB2 GLU 11 -10.061 6.886 -0.575 367 HB3 GLU 11 HB1 GLU 11 -8.546 7.423 -1.290 368 HG2 GLU 11 HG2 GLU 11 -9.113 6.281 -3.370 369 HG3 GLU 11 HG1 GLU 11 -10.626 5.727 -2.657 370 H GLU 12 HN GLU 12 -9.173 4.585 1.545 371 HA GLU 12 HA GLU 12 -7.302 6.106 3.032 372 HB2 GLU 12 HB2 GLU 12 -9.373 5.173 4.017 373 HB3 GLU 12 HB1 GLU 12 -8.736 3.551 3.797 374 HG2 GLU 12 HG2 GLU 12 -8.486 4.223 6.090 375 HG3 GLU 12 HG1 GLU 12 -6.899 4.083 5.336 376 H LEU 13 HN LEU 13 -7.401 2.718 1.955 377 HA LEU 13 HA LEU 13 -4.711 2.194 2.787 378 HB2 LEU 13 HB2 LEU 13 -6.568 0.725 0.927 379 HB3 LEU 13 HB1 LEU 13 -4.951 0.162 1.303 380 HG LEU 13 HG LEU 13 -7.222 0.497 3.265 381 HD11 LEU 13 HD11 LEU 13 -7.400 -1.435 1.751 382 HD12 LEU 13 HD12 LEU 13 -7.146 -1.907 3.430 383 HD13 LEU 13 HD13 LEU 13 -5.809 -1.974 2.284 384 HD21 LEU 13 HD21 LEU 13 -4.386 -0.436 3.695 385 HD22 LEU 13 HD22 LEU 13 -5.686 -0.544 4.882 386 HD23 LEU 13 HD23 LEU 13 -5.119 1.033 4.339 387 H LEU 14 HN LEU 14 -6.201 3.517 -0.041 388 HA LEU 14 HA LEU 14 -4.037 3.347 -1.838 389 HB2 LEU 14 HB2 LEU 14 -6.411 4.088 -2.327 390 HB3 LEU 14 HB1 LEU 14 -5.997 5.625 -1.599 391 HG LEU 14 HG LEU 14 -4.197 5.881 -3.331 392 HD11 LEU 14 HD11 LEU 14 -5.608 3.537 -4.589 393 HD12 LEU 14 HD12 LEU 14 -3.970 3.523 -3.931 394 HD13 LEU 14 HD13 LEU 14 -4.348 4.516 -5.340 395 HD21 LEU 14 HD21 LEU 14 -5.745 6.546 -5.095 396 HD22 LEU 14 HD22 LEU 14 -6.349 7.019 -3.507 397 HD23 LEU 14 HD23 LEU 14 -7.030 5.615 -4.327 398 H SER 15 HN SER 15 -4.786 5.466 0.805 399 HA SER 15 HA SER 15 -2.761 7.396 0.300 400 HB2 SER 15 HB2 SER 15 -4.218 6.759 2.880 401 HB3 SER 15 HB1 SER 15 -3.284 8.218 2.552 402 HG SER 15 HG SER 15 -5.574 7.395 1.072 403 H LYS 16 HN LYS 16 -3.008 4.439 2.238 404 HA LYS 16 HA LYS 16 -0.390 4.625 3.295 405 HB2 LYS 16 HB2 LYS 16 -2.395 2.471 3.101 406 HB3 LYS 16 HB1 LYS 16 -0.707 1.959 3.130 407 HG2 LYS 16 HG2 LYS 16 -0.802 3.790 5.165 408 HG3 LYS 16 HG1 LYS 16 -2.381 3.006 5.272 409 HD2 LYS 16 HD2 LYS 16 0.257 1.543 5.143 410 HD3 LYS 16 HD1 LYS 16 -0.624 1.888 6.632 411 HE2 LYS 16 HE2 LYS 16 -1.837 0.369 4.337 412 HE3 LYS 16 HE1 LYS 16 -0.939 -0.429 5.628 413 HZ1 LYS 16 HZ1 LYS 16 -3.392 1.220 5.947 414 HZ2 LYS 16 HZ2 LYS 16 -2.513 0.543 7.218 415 HZ3 LYS 16 HZ3 LYS 16 -3.286 -0.461 6.102 416 H ASN 17 HN ASN 17 -1.676 2.924 0.413 417 HA ASN 17 HA ASN 17 0.742 1.925 -0.566 418 HB2 ASN 17 HB2 ASN 17 -1.739 2.923 -1.970 419 HB3 ASN 17 HB1 ASN 17 -0.333 2.412 -2.896 420 HD21 ASN 17 HD21 ASN 17 -3.038 1.423 -1.046 421 HD22 ASN 17 HD22 ASN 17 -2.820 -0.281 -1.245 422 H TYR 18 HN TYR 18 -0.655 5.175 -0.794 423 HA TYR 18 HA TYR 18 1.317 6.288 -2.467 424 HB2 TYR 18 HB2 TYR 18 -0.758 7.458 -1.950 425 HB3 TYR 18 HB1 TYR 18 -0.298 7.583 -0.257 426 HD1 TYR 18 HD1 TYR 18 1.138 8.459 -3.605 427 HD2 TYR 18 HD2 TYR 18 0.490 9.631 0.431 428 HE1 TYR 18 HE1 TYR 18 2.203 10.624 -4.068 429 HE2 TYR 18 HE2 TYR 18 1.555 11.800 -0.020 430 HH TYR 18 HH TYR 18 2.317 12.838 -3.229 431 H HIS 19 HN HIS 19 1.102 6.378 1.093 432 HA HIS 19 HA HIS 19 3.646 7.594 1.419 433 HB2 HIS 19 HB2 HIS 19 1.767 7.717 3.062 434 HB3 HIS 19 HB1 HIS 19 2.061 6.032 3.466 435 HD1 HIS 19 HD1 HIS 19 3.617 9.443 3.775 436 HD2 HIS 19 HD2 HIS 19 4.153 5.589 5.223 437 HE1 HIS 19 HE1 HIS 19 5.302 9.647 5.626 438 HE2 HIS 19 HE2 HIS 19 5.514 7.323 6.572 439 H LEU 20 HN LEU 20 2.548 4.233 1.511 440 HA LEU 20 HA LEU 20 4.939 3.142 2.493 441 HB2 LEU 20 HB2 LEU 20 2.800 2.018 2.697 442 HB3 LEU 20 HB1 LEU 20 2.621 1.957 0.956 443 HG LEU 20 HG LEU 20 4.394 0.436 0.767 444 HD11 LEU 20 HD11 LEU 20 5.486 -0.525 2.746 445 HD12 LEU 20 HD12 LEU 20 4.677 0.684 3.739 446 HD13 LEU 20 HD13 LEU 20 5.851 1.184 2.523 447 HD21 LEU 20 HD21 LEU 20 3.481 -1.495 1.961 448 HD22 LEU 20 HD22 LEU 20 2.223 -0.520 1.191 449 HD23 LEU 20 HD23 LEU 20 2.493 -0.398 2.929 450 H GLU 21 HN GLU 21 3.753 3.850 -0.768 451 HA GLU 21 HA GLU 21 5.981 2.624 -2.078 452 HB2 GLU 21 HB2 GLU 21 3.589 3.285 -3.010 453 HB3 GLU 21 HB1 GLU 21 4.389 4.810 -3.362 454 HG2 GLU 21 HG2 GLU 21 5.359 2.131 -4.331 455 HG3 GLU 21 HG1 GLU 21 4.317 3.202 -5.259 456 H ASN 22 HN ASN 22 5.204 5.848 -0.883 457 HA ASN 22 HA ASN 22 7.489 7.173 -1.872 458 HB2 ASN 22 HB2 ASN 22 5.862 7.644 0.633 459 HB3 ASN 22 HB1 ASN 22 7.187 8.690 0.142 460 HD21 ASN 22 HD21 ASN 22 6.539 8.391 -2.713 461 HD22 ASN 22 HD22 ASN 22 5.131 9.355 -2.971 462 H GLU 23 HN GLU 23 6.918 5.203 0.981 463 HA GLU 23 HA GLU 23 9.493 5.499 2.120 464 HB2 GLU 23 HB2 GLU 23 7.521 4.646 3.352 465 HB3 GLU 23 HB1 GLU 23 7.554 3.191 2.368 466 HG2 GLU 23 HG2 GLU 23 9.704 2.577 3.281 467 HG3 GLU 23 HG1 GLU 23 9.772 4.082 4.197 468 H VAL 24 HN VAL 24 8.111 3.212 -0.193 469 HA VAL 24 HA VAL 24 10.333 1.535 -0.491 470 HB VAL 24 HB VAL 24 8.166 2.291 -2.479 471 HG11 VAL 24 HG11 VAL 24 8.939 0.444 -3.863 472 HG12 VAL 24 HG12 VAL 24 10.263 0.129 -2.740 473 HG13 VAL 24 HG13 VAL 24 10.234 1.628 -3.673 474 HG21 VAL 24 HG21 VAL 24 7.409 1.015 -0.579 475 HG22 VAL 24 HG22 VAL 24 8.688 -0.174 -0.837 476 HG23 VAL 24 HG23 VAL 24 7.403 0.009 -2.026 477 H ALA 25 HN ALA 25 9.430 4.493 -2.251 478 HA ALA 25 HA ALA 25 11.584 4.525 -4.044 479 HB1 ALA 25 HB1 ALA 25 9.590 5.922 -4.315 480 HB2 ALA 25 HB2 ALA 25 11.062 6.896 -4.358 481 HB3 ALA 25 HB3 ALA 25 10.063 6.871 -2.906 482 H ARG 26 HN ARG 26 11.248 5.852 -0.795 483 HA ARG 26 HA ARG 26 13.690 7.185 -0.572 484 HB2 ARG 26 HB2 ARG 26 11.917 7.336 1.114 485 HB3 ARG 26 HB1 ARG 26 12.159 5.647 1.535 486 HG2 ARG 26 HG2 ARG 26 14.418 6.162 2.315 487 HG3 ARG 26 HG1 ARG 26 14.171 7.858 1.898 488 HD2 ARG 26 HD2 ARG 26 12.597 6.268 3.921 489 HD3 ARG 26 HD1 ARG 26 13.816 7.491 4.279 490 HE ARG 26 HE ARG 26 11.895 8.694 2.667 491 HH11 ARG 26 HH11 ARG 26 12.095 7.257 5.852 492 HH12 ARG 26 HH12 ARG 26 10.827 8.237 6.513 493 HH21 ARG 26 HH21 ARG 26 10.221 9.977 3.525 494 HH22 ARG 26 HH22 ARG 26 9.756 9.788 5.186 495 H LEU 27 HN LEU 27 12.881 3.856 0.348 496 HA LEU 27 HA LEU 27 15.480 3.071 1.060 497 HB2 LEU 27 HB2 LEU 27 12.977 1.635 0.316 498 HB3 LEU 27 HB1 LEU 27 14.472 0.750 0.383 499 HG LEU 27 HG LEU 27 14.718 1.069 2.705 500 HD11 LEU 27 HD11 LEU 27 14.140 3.437 2.833 501 HD12 LEU 27 HD12 LEU 27 13.257 2.501 4.039 502 HD13 LEU 27 HD13 LEU 27 12.441 3.043 2.571 503 HD21 LEU 27 HD21 LEU 27 11.818 0.588 2.065 504 HD22 LEU 27 HD22 LEU 27 12.585 0.231 3.611 505 HD23 LEU 27 HD23 LEU 27 13.099 -0.619 2.155 506 H LYS 28 HN LYS 28 13.759 2.952 -2.015 507 HA LYS 28 HA LYS 28 15.530 1.333 -3.436 508 HB2 LYS 28 HB2 LYS 28 13.319 1.936 -4.284 509 HB3 LYS 28 HB1 LYS 28 13.816 3.612 -4.443 510 HG2 LYS 28 HG2 LYS 28 13.814 2.503 -6.595 511 HG3 LYS 28 HG1 LYS 28 15.449 2.980 -6.139 512 HD2 LYS 28 HD2 LYS 28 15.541 0.775 -7.067 513 HD3 LYS 28 HD1 LYS 28 15.830 0.651 -5.331 514 HE2 LYS 28 HE2 LYS 28 13.528 -0.038 -4.980 515 HE3 LYS 28 HE1 LYS 28 13.193 0.142 -6.702 516 HZ1 LYS 28 HZ1 LYS 28 14.785 -1.608 -7.165 517 HZ2 LYS 28 HZ2 LYS 28 13.602 -2.167 -6.097 518 HZ3 LYS 28 HZ3 LYS 28 15.138 -1.766 -5.520 519 H LYS 29 HN LYS 29 15.517 4.859 -3.003 520 HA LYS 29 HA LYS 29 17.853 5.260 -4.606 521 HB2 LYS 29 HB2 LYS 29 16.568 7.085 -2.569 522 HB3 LYS 29 HB1 LYS 29 17.805 7.558 -3.724 523 HG2 LYS 29 HG2 LYS 29 16.245 6.958 -5.560 524 HG3 LYS 29 HG1 LYS 29 15.000 6.652 -4.342 525 HD2 LYS 29 HD2 LYS 29 16.424 9.277 -4.804 526 HD3 LYS 29 HD1 LYS 29 14.773 8.890 -5.312 527 HE2 LYS 29 HE2 LYS 29 14.121 8.600 -2.979 528 HE3 LYS 29 HE1 LYS 29 15.769 8.950 -2.464 529 HZ1 LYS 29 HZ1 LYS 29 14.384 10.895 -2.243 530 HZ2 LYS 29 HZ2 LYS 29 13.948 10.821 -3.871 531 HZ3 LYS 29 HZ3 LYS 29 15.546 11.162 -3.442 532 H LEU 30 HN LEU 30 17.325 4.180 -1.445 533 HA LEU 30 HA LEU 30 19.886 5.051 -0.420 534 HB2 LEU 30 HB2 LEU 30 17.695 3.365 0.758 535 HB3 LEU 30 HB1 LEU 30 19.215 3.671 1.580 536 HG LEU 30 HG LEU 30 17.385 5.890 0.676 537 HD11 LEU 30 HD11 LEU 30 16.662 5.999 3.034 538 HD12 LEU 30 HD12 LEU 30 17.479 4.461 3.317 539 HD13 LEU 30 HD13 LEU 30 16.122 4.549 2.193 540 HD21 LEU 30 HD21 LEU 30 19.704 5.745 2.595 541 HD22 LEU 30 HD22 LEU 30 18.615 7.124 2.467 542 HD23 LEU 30 HD23 LEU 30 19.610 6.661 1.090 543 H VAL 31 HN VAL 31 18.367 2.097 -1.606 544 HA VAL 31 HA VAL 31 20.749 0.512 -1.327 545 HB VAL 31 HB VAL 31 18.446 0.070 -3.249 546 HG11 VAL 31 HG11 VAL 31 20.436 -1.233 -3.773 547 HG12 VAL 31 HG12 VAL 31 19.138 -2.272 -3.190 548 HG13 VAL 31 HG13 VAL 31 20.476 -1.853 -2.123 549 HG21 VAL 31 HG21 VAL 31 18.777 -0.959 -0.435 550 HG22 VAL 31 HG22 VAL 31 17.507 -1.435 -1.561 551 HG23 VAL 31 HG23 VAL 31 17.589 0.227 -0.978 552 H GLY 32 HN GLY 32 19.391 2.699 -3.633 553 HA2 GLY 32 HA2 GLY 32 21.067 2.056 -5.836 554 HA3 GLY 32 HA1 GLY 32 20.111 3.520 -5.636 555 H GLU 33 HN GLU 33 21.063 4.890 -3.686 556 HA GLU 33 HA GLU 33 22.661 6.364 -3.080 557 HB2 GLU 33 HB2 GLU 33 24.523 4.053 -3.662 558 HB3 GLU 33 HB1 GLU 33 24.999 5.541 -2.856 559 HG2 GLU 33 HG2 GLU 33 22.948 3.580 -1.851 560 HG3 GLU 33 HG1 GLU 33 24.610 3.715 -1.280 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 -23.683 -0.954 -7.535 2 H2 GLY 1 HT2 GLY 1 -23.996 -2.556 -7.975 3 H3 GLY 1 HT3 GLY 1 -22.401 -2.027 -7.782 4 HA2 GLY 1 HA1 GLY 1 -24.425 -2.205 -5.624 5 HA3 GLY 1 HA2 GLY 1 -23.120 -3.354 -5.890 6 H SER 2 HN SER 2 -22.319 -2.910 -3.787 7 HA SER 2 HA SER 2 -20.409 -0.781 -3.773 8 HB2 SER 2 HB2 SER 2 -21.303 0.130 -1.534 9 HB3 SER 2 HB1 SER 2 -22.135 0.625 -3.011 10 HG SER 2 HG SER 2 -23.461 -1.415 -2.446 11 H MET 3 HN MET 3 -22.144 -3.049 -1.638 12 HA MET 3 HA MET 3 -20.238 -3.166 0.364 13 HB2 MET 3 HB2 MET 3 -22.561 -4.043 0.506 14 HB3 MET 3 HB1 MET 3 -22.064 -5.417 -0.471 15 HG2 MET 3 HG2 MET 3 -22.134 -5.944 1.917 16 HG3 MET 3 HG1 MET 3 -20.519 -6.128 1.235 17 HE1 MET 3 HE1 MET 3 -22.324 -2.748 2.167 18 HE2 MET 3 HE2 MET 3 -21.783 -2.517 3.828 19 HE3 MET 3 HE3 MET 3 -22.866 -3.850 3.432 20 H LYS 4 HN LYS 4 -20.578 -5.398 -2.395 21 HA LYS 4 HA LYS 4 -18.142 -6.763 -1.561 22 HB2 LYS 4 HB2 LYS 4 -20.219 -7.364 -3.656 23 HB3 LYS 4 HB1 LYS 4 -18.717 -8.269 -3.539 24 HG2 LYS 4 HG2 LYS 4 -20.764 -8.018 -1.343 25 HG3 LYS 4 HG1 LYS 4 -20.594 -9.397 -2.432 26 HD2 LYS 4 HD2 LYS 4 -18.239 -9.641 -1.614 27 HD3 LYS 4 HD1 LYS 4 -18.591 -8.402 -0.410 28 HE2 LYS 4 HE2 LYS 4 -20.037 -11.029 -0.701 29 HE3 LYS 4 HE1 LYS 4 -18.804 -10.669 0.504 30 HZ1 LYS 4 HZ1 LYS 4 -20.248 -8.950 1.402 31 HZ2 LYS 4 HZ2 LYS 4 -21.018 -10.452 1.421 32 HZ3 LYS 4 HZ3 LYS 4 -21.430 -9.308 0.249 33 H GLN 5 HN GLN 5 -18.874 -4.167 -3.475 34 HA GLN 5 HA GLN 5 -16.891 -4.799 -5.533 35 HB2 GLN 5 HB2 GLN 5 -18.969 -2.608 -5.403 36 HB3 GLN 5 HB1 GLN 5 -17.795 -2.785 -6.699 37 HG2 GLN 5 HG2 GLN 5 -18.727 -4.992 -7.223 38 HG3 GLN 5 HG1 GLN 5 -19.926 -4.773 -5.950 39 HE21 GLN 5 HE21 GLN 5 -20.311 -5.184 -8.793 40 HE22 GLN 5 HE22 GLN 5 -21.216 -3.823 -9.362 41 H LEU 6 HN LEU 6 -17.777 -2.345 -3.162 42 HA LEU 6 HA LEU 6 -15.388 -0.828 -3.573 43 HB2 LEU 6 HB2 LEU 6 -17.281 -0.769 -1.226 44 HB3 LEU 6 HB1 LEU 6 -16.089 0.449 -1.627 45 HG LEU 6 HG LEU 6 -18.567 -0.225 -3.214 46 HD11 LEU 6 HD11 LEU 6 -19.099 1.023 -1.242 47 HD12 LEU 6 HD12 LEU 6 -19.215 2.083 -2.647 48 HD13 LEU 6 HD13 LEU 6 -17.815 2.184 -1.581 49 HD21 LEU 6 HD21 LEU 6 -16.411 1.809 -3.765 50 HD22 LEU 6 HD22 LEU 6 -17.937 1.678 -4.636 51 HD23 LEU 6 HD23 LEU 6 -16.759 0.368 -4.720 52 H GLU 7 HN GLU 7 -16.522 -3.242 -1.201 53 HA GLU 7 HA GLU 7 -14.142 -3.242 0.319 54 HB2 GLU 7 HB2 GLU 7 -16.329 -5.247 -0.049 55 HB3 GLU 7 HB1 GLU 7 -14.860 -5.705 0.800 56 HG2 GLU 7 HG2 GLU 7 -15.231 -3.755 2.317 57 HG3 GLU 7 HG1 GLU 7 -16.798 -3.534 1.540 58 H ASP 8 HN ASP 8 -15.054 -4.994 -2.642 59 HA ASP 8 HA ASP 8 -12.694 -6.588 -2.680 60 HB2 ASP 8 HB2 ASP 8 -14.869 -6.014 -4.548 61 HB3 ASP 8 HB1 ASP 8 -13.318 -6.283 -5.340 62 H LYS 9 HN LYS 9 -13.319 -3.295 -3.515 63 HA LYS 9 HA LYS 9 -10.902 -2.913 -5.007 64 HB2 LYS 9 HB2 LYS 9 -12.935 -1.464 -5.230 65 HB3 LYS 9 HB1 LYS 9 -12.613 -0.839 -3.619 66 HG2 LYS 9 HG2 LYS 9 -11.817 0.716 -5.275 67 HG3 LYS 9 HG1 LYS 9 -10.446 0.019 -4.410 68 HD2 LYS 9 HD2 LYS 9 -10.036 -1.513 -6.254 69 HD3 LYS 9 HD1 LYS 9 -11.443 -0.884 -7.112 70 HE2 LYS 9 HE2 LYS 9 -9.378 0.075 -7.987 71 HE3 LYS 9 HE1 LYS 9 -10.386 1.314 -7.242 72 HZ1 LYS 9 HZ1 LYS 9 -7.991 1.466 -6.681 73 HZ2 LYS 9 HZ2 LYS 9 -8.115 -0.014 -5.870 74 HZ3 LYS 9 HZ3 LYS 9 -8.995 1.326 -5.327 75 H VAL 10 HN VAL 10 -11.946 -2.416 -1.661 76 HA VAL 10 HA VAL 10 -9.603 -1.220 -0.670 77 HB VAL 10 HB VAL 10 -11.231 -3.170 0.944 78 HG11 VAL 10 HG11 VAL 10 -9.202 -2.266 1.952 79 HG12 VAL 10 HG12 VAL 10 -10.648 -1.711 2.794 80 HG13 VAL 10 HG13 VAL 10 -9.804 -0.627 1.685 81 HG21 VAL 10 HG21 VAL 10 -12.743 -1.578 -0.271 82 HG22 VAL 10 HG22 VAL 10 -11.948 -0.275 0.615 83 HG23 VAL 10 HG23 VAL 10 -12.837 -1.520 1.487 84 H GLU 11 HN GLU 11 -10.609 -4.623 -0.759 85 HA GLU 11 HA GLU 11 -8.247 -5.606 0.478 86 HB2 GLU 11 HB2 GLU 11 -10.250 -7.076 -1.257 87 HB3 GLU 11 HB1 GLU 11 -9.063 -7.822 -0.199 88 HG2 GLU 11 HG2 GLU 11 -11.356 -6.079 0.663 89 HG3 GLU 11 HG1 GLU 11 -11.270 -7.833 0.803 90 H GLU 12 HN GLU 12 -9.097 -4.894 -2.826 91 HA GLU 12 HA GLU 12 -7.080 -6.364 -4.126 92 HB2 GLU 12 HB2 GLU 12 -9.001 -5.321 -5.302 93 HB3 GLU 12 HB1 GLU 12 -8.328 -3.734 -4.959 94 HG2 GLU 12 HG2 GLU 12 -7.859 -4.399 -7.238 95 HG3 GLU 12 HG1 GLU 12 -6.367 -4.265 -6.308 96 H LEU 13 HN LEU 13 -7.211 -3.020 -2.937 97 HA LEU 13 HA LEU 13 -4.501 -2.409 -3.367 98 HB2 LEU 13 HB2 LEU 13 -6.443 -1.418 -1.282 99 HB3 LEU 13 HB1 LEU 13 -4.823 -0.777 -1.468 100 HG LEU 13 HG LEU 13 -7.008 -0.659 -3.550 101 HD11 LEU 13 HD11 LEU 13 -5.796 1.485 -1.812 102 HD12 LEU 13 HD12 LEU 13 -7.413 0.805 -1.641 103 HD13 LEU 13 HD13 LEU 13 -6.996 1.734 -3.080 104 HD21 LEU 13 HD21 LEU 13 -5.464 0.797 -4.767 105 HD22 LEU 13 HD22 LEU 13 -4.791 -0.819 -4.559 106 HD23 LEU 13 HD23 LEU 13 -4.225 0.510 -3.545 107 H LEU 14 HN LEU 14 -6.206 -3.687 -0.540 108 HA LEU 14 HA LEU 14 -4.171 -3.925 1.285 109 HB2 LEU 14 HB2 LEU 14 -6.723 -4.586 1.334 110 HB3 LEU 14 HB1 LEU 14 -6.100 -6.180 0.968 111 HG LEU 14 HG LEU 14 -4.614 -5.940 3.014 112 HD11 LEU 14 HD11 LEU 14 -6.532 -3.694 3.608 113 HD12 LEU 14 HD12 LEU 14 -4.816 -3.507 3.238 114 HD13 LEU 14 HD13 LEU 14 -5.317 -4.350 4.705 115 HD21 LEU 14 HD21 LEU 14 -6.408 -6.579 4.546 116 HD22 LEU 14 HD22 LEU 14 -6.593 -7.361 2.976 117 HD23 LEU 14 HD23 LEU 14 -7.605 -5.978 3.397 118 H SER 15 HN SER 15 -4.813 -5.910 -1.486 119 HA SER 15 HA SER 15 -3.148 -8.099 -0.798 120 HB2 SER 15 HB2 SER 15 -4.127 -7.201 -3.519 121 HB3 SER 15 HB1 SER 15 -3.447 -8.784 -3.137 122 HG SER 15 HG SER 15 -5.828 -7.658 -2.051 123 H LYS 16 HN LYS 16 -2.706 -5.249 -2.912 124 HA LYS 16 HA LYS 16 0.028 -6.004 -3.386 125 HB2 LYS 16 HB2 LYS 16 0.269 -4.059 -4.714 126 HB3 LYS 16 HB1 LYS 16 -1.294 -4.761 -5.096 127 HG2 LYS 16 HG2 LYS 16 -1.918 -2.589 -4.982 128 HG3 LYS 16 HG1 LYS 16 -2.073 -2.973 -3.268 129 HD2 LYS 16 HD2 LYS 16 -0.067 -1.910 -2.722 130 HD3 LYS 16 HD1 LYS 16 0.524 -1.966 -4.381 131 HE2 LYS 16 HE2 LYS 16 -1.783 -0.267 -3.421 132 HE3 LYS 16 HE1 LYS 16 -0.134 0.303 -3.664 133 HZ1 LYS 16 HZ1 LYS 16 -1.849 -0.862 -5.793 134 HZ2 LYS 16 HZ2 LYS 16 -0.304 -0.210 -5.993 135 HZ3 LYS 16 HZ3 LYS 16 -1.590 0.791 -5.554 136 H ASN 17 HN ASN 17 -1.687 -3.846 -1.226 137 HA ASN 17 HA ASN 17 0.429 -2.474 -0.010 138 HB2 ASN 17 HB2 ASN 17 -2.066 -3.717 1.208 139 HB3 ASN 17 HB1 ASN 17 -0.962 -2.684 2.105 140 HD21 ASN 17 HD21 ASN 17 -2.822 -1.371 2.449 141 HD22 ASN 17 HD22 ASN 17 -3.274 -0.219 1.239 142 H TYR 18 HN TYR 18 -0.820 -5.762 0.526 143 HA TYR 18 HA TYR 18 0.872 -6.457 2.646 144 HB2 TYR 18 HB2 TYR 18 -1.060 -7.817 1.833 145 HB3 TYR 18 HB1 TYR 18 -0.085 -8.308 0.450 146 HD1 TYR 18 HD1 TYR 18 1.371 -10.144 0.614 147 HD2 TYR 18 HD2 TYR 18 -0.208 -8.404 4.159 148 HE1 TYR 18 HE1 TYR 18 2.306 -11.997 1.933 149 HE2 TYR 18 HE2 TYR 18 0.722 -10.250 5.489 150 HH TYR 18 HH TYR 18 2.974 -12.486 4.201 151 H HIS 19 HN HIS 19 1.367 -6.896 -0.847 152 HA HIS 19 HA HIS 19 3.987 -7.977 -0.569 153 HB2 HIS 19 HB2 HIS 19 2.466 -8.310 -2.556 154 HB3 HIS 19 HB1 HIS 19 2.815 -6.650 -3.021 155 HD1 HIS 19 HD1 HIS 19 3.898 -9.994 -3.644 156 HD2 HIS 19 HD2 HIS 19 5.794 -6.305 -3.401 157 HE1 HIS 19 HE1 HIS 19 6.085 -10.279 -4.837 158 HE2 HIS 19 HE2 HIS 19 7.262 -8.068 -4.598 159 H LEU 20 HN LEU 20 2.735 -4.757 -1.368 160 HA LEU 20 HA LEU 20 5.174 -3.524 -1.896 161 HB2 LEU 20 HB2 LEU 20 3.222 -2.518 -2.711 162 HB3 LEU 20 HB1 LEU 20 2.410 -2.610 -1.169 163 HG LEU 20 HG LEU 20 3.574 -0.771 -0.331 164 HD11 LEU 20 HD11 LEU 20 5.436 0.254 -1.277 165 HD12 LEU 20 HD12 LEU 20 5.163 -0.505 -2.847 166 HD13 LEU 20 HD13 LEU 20 5.751 -1.470 -1.490 167 HD21 LEU 20 HD21 LEU 20 3.176 0.990 -2.071 168 HD22 LEU 20 HD22 LEU 20 1.791 -0.037 -1.676 169 HD23 LEU 20 HD23 LEU 20 2.710 -0.319 -3.158 170 H GLU 21 HN GLU 21 3.440 -4.014 1.174 171 HA GLU 21 HA GLU 21 5.236 -2.320 2.630 172 HB2 GLU 21 HB2 GLU 21 2.769 -3.222 3.187 173 HB3 GLU 21 HB1 GLU 21 3.714 -4.413 4.075 174 HG2 GLU 21 HG2 GLU 21 3.935 -1.428 4.408 175 HG3 GLU 21 HG1 GLU 21 3.016 -2.499 5.456 176 H ASN 22 HN ASN 22 4.971 -5.798 2.037 177 HA ASN 22 HA ASN 22 7.205 -6.512 3.645 178 HB2 ASN 22 HB2 ASN 22 5.921 -7.899 1.284 179 HB3 ASN 22 HB1 ASN 22 7.244 -8.595 2.210 180 HD21 ASN 22 HD21 ASN 22 6.220 -7.463 4.736 181 HD22 ASN 22 HD22 ASN 22 4.875 -8.457 5.166 182 H GLU 23 HN GLU 23 6.805 -5.313 0.413 183 HA GLU 23 HA GLU 23 9.405 -5.809 -0.558 184 HB2 GLU 23 HB2 GLU 23 7.484 -5.196 -1.981 185 HB3 GLU 23 HB1 GLU 23 7.486 -3.586 -1.276 186 HG2 GLU 23 HG2 GLU 23 9.623 -3.103 -2.247 187 HG3 GLU 23 HG1 GLU 23 9.779 -4.763 -2.822 188 H VAL 24 HN VAL 24 7.980 -2.995 1.103 189 HA VAL 24 HA VAL 24 10.293 -1.429 1.200 190 HB VAL 24 HB VAL 24 7.916 -1.571 3.097 191 HG11 VAL 24 HG11 VAL 24 9.973 -0.922 4.365 192 HG12 VAL 24 HG12 VAL 24 8.794 0.383 4.241 193 HG13 VAL 24 HG13 VAL 24 10.225 0.387 3.205 194 HG21 VAL 24 HG21 VAL 24 7.512 -0.569 0.953 195 HG22 VAL 24 HG22 VAL 24 8.917 0.481 1.139 196 HG23 VAL 24 HG23 VAL 24 7.523 0.675 2.203 197 H ALA 25 HN ALA 25 9.107 -3.953 3.395 198 HA ALA 25 HA ALA 25 11.049 -3.683 5.397 199 HB1 ALA 25 HB1 ALA 25 9.567 -6.177 4.562 200 HB2 ALA 25 HB2 ALA 25 8.969 -4.954 5.684 201 HB3 ALA 25 HB3 ALA 25 10.383 -5.922 6.104 202 H ARG 26 HN ARG 26 11.033 -5.619 2.434 203 HA ARG 26 HA ARG 26 13.461 -6.981 2.898 204 HB2 ARG 26 HB2 ARG 26 11.733 -7.581 1.176 205 HB3 ARG 26 HB1 ARG 26 12.270 -6.208 0.225 206 HG2 ARG 26 HG2 ARG 26 14.266 -8.258 1.049 207 HG3 ARG 26 HG1 ARG 26 13.150 -8.625 -0.264 208 HD2 ARG 26 HD2 ARG 26 13.915 -6.708 -1.510 209 HD3 ARG 26 HD1 ARG 26 14.927 -6.191 -0.162 210 HE ARG 26 HE ARG 26 15.845 -8.676 -0.699 211 HH11 ARG 26 HH11 ARG 26 15.284 -5.884 -2.732 212 HH12 ARG 26 HH12 ARG 26 16.615 -6.229 -3.789 213 HH21 ARG 26 HH21 ARG 26 17.591 -9.137 -2.090 214 HH22 ARG 26 HH22 ARG 26 17.930 -8.079 -3.423 215 H LEU 27 HN LEU 27 12.709 -4.001 1.136 216 HA LEU 27 HA LEU 27 15.340 -3.341 0.396 217 HB2 LEU 27 HB2 LEU 27 12.756 -1.916 0.629 218 HB3 LEU 27 HB1 LEU 27 14.196 -0.924 0.617 219 HG LEU 27 HG LEU 27 14.772 -1.576 -1.575 220 HD11 LEU 27 HD11 LEU 27 14.383 -3.983 -1.351 221 HD12 LEU 27 HD12 LEU 27 13.663 -3.330 -2.822 222 HD13 LEU 27 HD13 LEU 27 12.642 -3.703 -1.432 223 HD21 LEU 27 HD21 LEU 27 11.785 -1.277 -1.378 224 HD22 LEU 27 HD22 LEU 27 12.718 -1.118 -2.864 225 HD23 LEU 27 HD23 LEU 27 12.976 0.012 -1.538 226 H LYS 28 HN LYS 28 13.460 -2.626 3.296 227 HA LYS 28 HA LYS 28 15.231 -0.835 4.522 228 HB2 LYS 28 HB2 LYS 28 13.102 -2.677 5.535 229 HB3 LYS 28 HB1 LYS 28 14.155 -1.871 6.685 230 HG2 LYS 28 HG2 LYS 28 12.480 -0.472 4.617 231 HG3 LYS 28 HG1 LYS 28 12.041 -0.677 6.312 232 HD2 LYS 28 HD2 LYS 28 14.107 0.540 6.945 233 HD3 LYS 28 HD1 LYS 28 14.425 0.828 5.235 234 HE2 LYS 28 HE2 LYS 28 13.390 2.777 6.199 235 HE3 LYS 28 HE1 LYS 28 12.274 2.017 5.067 236 HZ1 LYS 28 HZ1 LYS 28 11.163 2.697 7.100 237 HZ2 LYS 28 HZ2 LYS 28 12.194 1.723 8.019 238 HZ3 LYS 28 HZ3 LYS 28 11.115 1.015 6.931 239 H LYS 29 HN LYS 29 15.395 -4.283 4.175 240 HA LYS 29 HA LYS 29 17.283 -4.669 6.307 241 HB2 LYS 29 HB2 LYS 29 15.738 -6.448 5.465 242 HB3 LYS 29 HB1 LYS 29 16.671 -6.494 3.977 243 HG2 LYS 29 HG2 LYS 29 18.642 -7.199 5.206 244 HG3 LYS 29 HG1 LYS 29 17.741 -7.102 6.724 245 HD2 LYS 29 HD2 LYS 29 16.187 -8.817 5.882 246 HD3 LYS 29 HD1 LYS 29 17.153 -8.941 4.403 247 HE2 LYS 29 HE2 LYS 29 18.109 -9.521 7.204 248 HE3 LYS 29 HE1 LYS 29 17.702 -10.721 5.982 249 HZ1 LYS 29 HZ1 LYS 29 20.084 -10.355 6.123 250 HZ2 LYS 29 HZ2 LYS 29 19.883 -8.717 5.761 251 HZ3 LYS 29 HZ3 LYS 29 19.496 -9.892 4.609 252 H LEU 30 HN LEU 30 17.415 -4.155 2.846 253 HA LEU 30 HA LEU 30 20.250 -4.561 2.653 254 HB2 LEU 30 HB2 LEU 30 18.149 -3.566 0.761 255 HB3 LEU 30 HB1 LEU 30 19.847 -3.387 0.368 256 HG LEU 30 HG LEU 30 20.092 -5.869 0.610 257 HD11 LEU 30 HD11 LEU 30 17.084 -5.807 0.699 258 HD12 LEU 30 HD12 LEU 30 18.153 -6.304 2.010 259 HD13 LEU 30 HD13 LEU 30 18.087 -7.247 0.521 260 HD21 LEU 30 HD21 LEU 30 18.134 -4.876 -1.452 261 HD22 LEU 30 HD22 LEU 30 19.062 -6.372 -1.553 262 HD23 LEU 30 HD23 LEU 30 19.892 -4.816 -1.567 263 H VAL 31 HN VAL 31 18.080 -1.789 2.879 264 HA VAL 31 HA VAL 31 20.175 0.161 2.843 265 HB VAL 31 HB VAL 31 17.366 0.348 3.974 266 HG11 VAL 31 HG11 VAL 31 17.656 2.773 3.818 267 HG12 VAL 31 HG12 VAL 31 19.329 2.541 3.314 268 HG13 VAL 31 HG13 VAL 31 18.817 2.051 4.929 269 HG21 VAL 31 HG21 VAL 31 17.344 -0.134 1.599 270 HG22 VAL 31 HG22 VAL 31 18.471 1.188 1.295 271 HG23 VAL 31 HG23 VAL 31 16.843 1.534 1.881 272 H GLY 32 HN GLY 32 18.787 -1.971 5.139 273 HA2 GLY 32 HA2 GLY 32 19.681 -0.757 7.533 274 HA3 GLY 32 HA1 GLY 32 19.240 -2.448 7.316 275 H GLU 33 HN GLU 33 20.970 -3.595 5.797 276 HA GLU 33 HA GLU 33 23.666 -2.708 6.420 277 HB2 GLU 33 HB2 GLU 33 24.264 -5.033 7.216 278 HB3 GLU 33 HB1 GLU 33 23.309 -4.063 8.327 279 HG2 GLU 33 HG2 GLU 33 21.305 -5.270 7.703 280 HG3 GLU 33 HG1 GLU 33 22.214 -6.201 6.513 281 H1 GLY 1 HT1 GLY 1 -23.953 1.069 6.520 282 H2 GLY 1 HT2 GLY 1 -24.281 2.670 6.956 283 H3 GLY 1 HT3 GLY 1 -22.680 2.141 6.815 284 HA2 GLY 1 HA1 GLY 1 -24.628 2.337 4.588 285 HA3 GLY 1 HA2 GLY 1 -23.323 3.474 4.904 286 H SER 2 HN SER 2 -22.428 3.041 2.842 287 HA SER 2 HA SER 2 -20.546 0.891 2.886 288 HB2 SER 2 HB2 SER 2 -21.354 0.001 0.607 289 HB3 SER 2 HB1 SER 2 -22.248 -0.497 2.045 290 HG SER 2 HG SER 2 -23.537 1.553 1.438 291 H MET 3 HN MET 3 -22.169 3.182 0.691 292 HA MET 3 HA MET 3 -20.182 3.294 -1.230 293 HB2 MET 3 HB2 MET 3 -22.490 4.193 -1.461 294 HB3 MET 3 HB1 MET 3 -22.021 5.556 -0.455 295 HG2 MET 3 HG2 MET 3 -21.990 6.098 -2.840 296 HG3 MET 3 HG1 MET 3 -20.404 6.266 -2.089 297 HE1 MET 3 HE1 MET 3 -22.192 2.903 -3.113 298 HE2 MET 3 HE2 MET 3 -21.585 2.679 -4.753 299 HE3 MET 3 HE3 MET 3 -22.676 4.016 -4.392 300 H LYS 4 HN LYS 4 -20.614 5.519 1.526 301 HA LYS 4 HA LYS 4 -18.135 6.864 0.802 302 HB2 LYS 4 HB2 LYS 4 -20.290 7.470 2.814 303 HB3 LYS 4 HB1 LYS 4 -18.779 8.364 2.765 304 HG2 LYS 4 HG2 LYS 4 -20.738 8.139 0.487 305 HG3 LYS 4 HG1 LYS 4 -20.605 9.509 1.590 306 HD2 LYS 4 HD2 LYS 4 -18.218 9.749 0.866 307 HD3 LYS 4 HD1 LYS 4 -18.527 8.517 -0.356 308 HE2 LYS 4 HE2 LYS 4 -19.976 11.148 -0.110 309 HE3 LYS 4 HE1 LYS 4 -18.695 10.792 -1.263 310 HZ1 LYS 4 HZ1 LYS 4 -20.099 9.082 -2.237 311 HZ2 LYS 4 HZ2 LYS 4 -20.868 10.585 -2.277 312 HZ3 LYS 4 HZ3 LYS 4 -21.331 9.434 -1.132 313 H GLN 5 HN GLN 5 -18.969 4.265 2.668 314 HA GLN 5 HA GLN 5 -17.066 4.866 4.809 315 HB2 GLN 5 HB2 GLN 5 -19.160 2.696 4.584 316 HB3 GLN 5 HB1 GLN 5 -18.034 2.851 5.925 317 HG2 GLN 5 HG2 GLN 5 -18.962 5.062 6.431 318 HG3 GLN 5 HG1 GLN 5 -20.111 4.866 5.112 319 HE21 GLN 5 HE21 GLN 5 -20.616 5.260 7.937 320 HE22 GLN 5 HE22 GLN 5 -21.545 3.902 8.461 321 H LEU 6 HN LEU 6 -17.876 2.436 2.388 322 HA LEU 6 HA LEU 6 -15.518 0.895 2.888 323 HB2 LEU 6 HB2 LEU 6 -17.316 0.864 0.468 324 HB3 LEU 6 HB1 LEU 6 -16.151 -0.367 0.909 325 HG LEU 6 HG LEU 6 -18.684 0.322 2.402 326 HD11 LEU 6 HD11 LEU 6 -19.147 -0.910 0.401 327 HD12 LEU 6 HD12 LEU 6 -19.333 -1.976 1.794 328 HD13 LEU 6 HD13 LEU 6 -17.891 -2.086 0.786 329 HD21 LEU 6 HD21 LEU 6 -16.569 -1.734 3.025 330 HD22 LEU 6 HD22 LEU 6 -18.129 -1.594 3.836 331 HD23 LEU 6 HD23 LEU 6 -16.943 -0.296 3.973 332 H GLU 7 HN GLU 7 -16.534 3.331 0.489 333 HA GLU 7 HA GLU 7 -14.095 3.317 -0.935 334 HB2 GLU 7 HB2 GLU 7 -16.275 5.342 -0.645 335 HB3 GLU 7 HB1 GLU 7 -14.769 5.789 -1.436 336 HG2 GLU 7 HG2 GLU 7 -15.105 3.848 -2.977 337 HG3 GLU 7 HG1 GLU 7 -16.703 3.643 -2.260 338 H ASP 8 HN ASP 8 -15.110 5.063 1.997 339 HA ASP 8 HA ASP 8 -12.742 6.639 2.136 340 HB2 ASP 8 HB2 ASP 8 -14.994 6.072 3.912 341 HB3 ASP 8 HB1 ASP 8 -13.474 6.325 4.767 342 H LYS 9 HN LYS 9 -13.426 3.347 2.926 343 HA LYS 9 HA LYS 9 -11.076 2.934 4.515 344 HB2 LYS 9 HB2 LYS 9 -13.128 1.501 4.640 345 HB3 LYS 9 HB1 LYS 9 -12.743 0.882 3.043 346 HG2 LYS 9 HG2 LYS 9 -12.032 -0.688 4.721 347 HG3 LYS 9 HG1 LYS 9 -10.621 0.001 3.917 348 HD2 LYS 9 HD2 LYS 9 -10.273 1.519 5.787 349 HD3 LYS 9 HD1 LYS 9 -11.720 0.897 6.582 350 HE2 LYS 9 HE2 LYS 9 -9.702 -0.084 7.532 351 HE3 LYS 9 HE1 LYS 9 -10.691 -1.308 6.745 352 HZ1 LYS 9 HZ1 LYS 9 -8.272 -1.475 6.283 353 HZ2 LYS 9 HZ2 LYS 9 -8.361 -0.003 5.455 354 HZ3 LYS 9 HZ3 LYS 9 -9.228 -1.345 4.895 355 H VAL 10 HN VAL 10 -11.988 2.462 1.127 356 HA VAL 10 HA VAL 10 -9.614 1.255 0.223 357 HB VAL 10 HB VAL 10 -11.161 3.223 -1.446 358 HG11 VAL 10 HG11 VAL 10 -9.101 2.307 -2.377 359 HG12 VAL 10 HG12 VAL 10 -10.517 1.768 -3.278 360 HG13 VAL 10 HG13 VAL 10 -9.727 0.672 -2.142 361 HG21 VAL 10 HG21 VAL 10 -12.735 1.639 -0.301 362 HG22 VAL 10 HG22 VAL 10 -11.918 0.333 -1.164 363 HG23 VAL 10 HG23 VAL 10 -12.758 1.594 -2.062 364 H GLU 11 HN GLU 11 -10.600 4.664 0.299 365 HA GLU 11 HA GLU 11 -8.185 5.635 -0.845 366 HB2 GLU 11 HB2 GLU 11 -10.241 7.116 0.816 367 HB3 GLU 11 HB1 GLU 11 -9.005 7.858 -0.190 368 HG2 GLU 11 HG2 GLU 11 -11.279 6.139 -1.153 369 HG3 GLU 11 HG1 GLU 11 -11.172 7.893 -1.281 370 H GLU 12 HN GLU 12 -9.170 4.916 2.419 371 HA GLU 12 HA GLU 12 -7.194 6.357 3.808 372 HB2 GLU 12 HB2 GLU 12 -9.169 5.324 4.894 373 HB3 GLU 12 HB1 GLU 12 -8.497 3.733 4.572 374 HG2 GLU 12 HG2 GLU 12 -8.118 4.381 6.872 375 HG3 GLU 12 HG1 GLU 12 -6.592 4.240 6.004 376 H LEU 13 HN LEU 13 -7.302 3.016 2.603 377 HA LEU 13 HA LEU 13 -4.614 2.384 3.129 378 HB2 LEU 13 HB2 LEU 13 -6.482 1.424 0.963 379 HB3 LEU 13 HB1 LEU 13 -4.879 0.766 1.208 380 HG LEU 13 HG LEU 13 -7.147 0.655 3.199 381 HD11 LEU 13 HD11 LEU 13 -5.880 -1.489 1.501 382 HD12 LEU 13 HD12 LEU 13 -7.484 -0.796 1.268 383 HD13 LEU 13 HD13 LEU 13 -7.131 -1.736 2.718 384 HD21 LEU 13 HD21 LEU 13 -5.666 -0.819 4.470 385 HD22 LEU 13 HD22 LEU 13 -4.972 0.793 4.302 386 HD23 LEU 13 HD23 LEU 13 -4.375 -0.533 3.304 387 H LEU 14 HN LEU 14 -6.199 3.692 0.247 388 HA LEU 14 HA LEU 14 -4.089 3.925 -1.493 389 HB2 LEU 14 HB2 LEU 14 -6.631 4.604 -1.644 390 HB3 LEU 14 HB1 LEU 14 -6.010 6.192 -1.247 391 HG LEU 14 HG LEU 14 -4.444 5.949 -3.230 392 HD11 LEU 14 HD11 LEU 14 -6.352 3.719 -3.904 393 HD12 LEU 14 HD12 LEU 14 -4.651 3.519 -3.470 394 HD13 LEU 14 HD13 LEU 14 -5.091 4.369 -4.952 395 HD21 LEU 14 HD21 LEU 14 -6.171 6.603 -4.830 396 HD22 LEU 14 HD22 LEU 14 -6.415 7.382 -3.267 397 HD23 LEU 14 HD23 LEU 14 -7.416 6.007 -3.733 398 H SER 15 HN SER 15 -4.824 5.892 1.263 399 HA SER 15 HA SER 15 -3.123 8.079 0.658 400 HB2 SER 15 HB2 SER 15 -4.203 7.164 3.337 401 HB3 SER 15 HB1 SER 15 -3.502 8.745 2.990 402 HG SER 15 HG SER 15 -5.823 7.667 1.736 403 H LYS 16 HN LYS 16 -2.777 5.211 2.766 404 HA LYS 16 HA LYS 16 -0.059 5.939 3.353 405 HB2 LYS 16 HB2 LYS 16 0.109 3.989 4.680 406 HB3 LYS 16 HB1 LYS 16 -1.464 4.701 5.000 407 HG2 LYS 16 HG2 LYS 16 -2.097 2.535 4.854 408 HG3 LYS 16 HG1 LYS 16 -2.181 2.926 3.135 409 HD2 LYS 16 HD2 LYS 16 -0.161 1.852 2.666 410 HD3 LYS 16 HD1 LYS 16 0.361 1.893 4.350 411 HE2 LYS 16 HE2 LYS 16 -1.919 0.224 3.286 412 HE3 LYS 16 HE1 LYS 16 -0.288 -0.366 3.588 413 HZ1 LYS 16 HZ1 LYS 16 -2.072 0.798 5.658 414 HZ2 LYS 16 HZ2 LYS 16 -0.543 0.128 5.915 415 HZ3 LYS 16 HZ3 LYS 16 -1.822 -0.855 5.414 416 H ASN 17 HN ASN 17 -1.707 3.808 1.117 417 HA ASN 17 HA ASN 17 0.445 2.425 -0.024 418 HB2 ASN 17 HB2 ASN 17 -1.991 3.692 -1.335 419 HB3 ASN 17 HB1 ASN 17 -0.859 2.657 -2.191 420 HD21 ASN 17 HD21 ASN 17 -2.712 1.360 -2.617 421 HD22 ASN 17 HD22 ASN 17 -3.223 0.206 -1.434 422 H TYR 18 HN TYR 18 -0.750 5.730 -0.578 423 HA TYR 18 HA TYR 18 1.024 6.418 -2.633 424 HB2 TYR 18 HB2 TYR 18 -0.924 7.791 -1.891 425 HB3 TYR 18 HB1 TYR 18 -0.003 8.265 -0.467 426 HD1 TYR 18 HD1 TYR 18 1.478 10.086 -0.560 427 HD2 TYR 18 HD2 TYR 18 0.023 8.390 -4.183 428 HE1 TYR 18 HE1 TYR 18 2.482 11.940 -1.827 429 HE2 TYR 18 HE2 TYR 18 1.023 10.238 -5.456 430 HH TYR 18 HH TYR 18 3.268 12.396 -4.106 431 H HIS 19 HN HIS 19 1.384 6.833 0.880 432 HA HIS 19 HA HIS 19 4.020 7.899 0.712 433 HB2 HIS 19 HB2 HIS 19 2.420 8.227 2.638 434 HB3 HIS 19 HB1 HIS 19 2.740 6.562 3.106 435 HD1 HIS 19 HD1 HIS 19 3.820 9.901 3.791 436 HD2 HIS 19 HD2 HIS 19 5.696 6.195 3.609 437 HE1 HIS 19 HE1 HIS 19 5.966 10.164 5.071 438 HE2 HIS 19 HE2 HIS 19 7.123 7.935 4.879 439 H LEU 20 HN LEU 20 2.718 4.683 1.453 440 HA LEU 20 HA LEU 20 5.120 3.423 2.056 441 HB2 LEU 20 HB2 LEU 20 3.124 2.433 2.786 442 HB3 LEU 20 HB1 LEU 20 2.380 2.539 1.212 443 HG LEU 20 HG LEU 20 3.561 0.696 0.415 444 HD11 LEU 20 HD11 LEU 20 5.377 -0.349 1.426 445 HD12 LEU 20 HD12 LEU 20 5.047 0.402 2.990 446 HD13 LEU 20 HD13 LEU 20 5.696 1.370 1.663 447 HD21 LEU 20 HD21 LEU 20 3.081 -1.072 2.128 448 HD22 LEU 20 HD22 LEU 20 1.722 -0.032 1.683 449 HD23 LEU 20 HD23 LEU 20 2.580 0.236 3.202 450 H GLU 21 HN GLU 21 3.515 3.948 -1.077 451 HA GLU 21 HA GLU 21 5.352 2.243 -2.468 452 HB2 GLU 21 HB2 GLU 21 2.916 3.168 -3.122 453 HB3 GLU 21 HB1 GLU 21 3.907 4.354 -3.965 454 HG2 GLU 21 HG2 GLU 21 4.122 1.371 -4.300 455 HG3 GLU 21 HG1 GLU 21 3.250 2.448 -5.379 456 H ASN 22 HN ASN 22 5.096 5.716 -1.861 457 HA ASN 22 HA ASN 22 7.398 6.419 -3.378 458 HB2 ASN 22 HB2 ASN 22 6.026 7.813 -1.070 459 HB3 ASN 22 HB1 ASN 22 7.385 8.503 -1.947 460 HD21 ASN 22 HD21 ASN 22 6.468 7.397 -4.510 461 HD22 ASN 22 HD22 ASN 22 5.137 8.389 -4.991 462 H GLU 23 HN GLU 23 6.857 5.209 -0.170 463 HA GLU 23 HA GLU 23 9.417 5.678 0.909 464 HB2 GLU 23 HB2 GLU 23 7.437 5.074 2.251 465 HB3 GLU 23 HB1 GLU 23 7.450 3.469 1.537 466 HG2 GLU 23 HG2 GLU 23 9.543 2.959 2.583 467 HG3 GLU 23 HG1 GLU 23 9.693 4.613 3.178 468 H VAL 24 HN VAL 24 8.038 2.886 -0.824 469 HA VAL 24 HA VAL 24 10.340 1.300 -0.842 470 HB VAL 24 HB VAL 24 8.043 1.475 -2.831 471 HG11 VAL 24 HG11 VAL 24 10.145 0.816 -4.016 472 HG12 VAL 24 HG12 VAL 24 8.950 -0.482 -3.947 473 HG13 VAL 24 HG13 VAL 24 10.337 -0.502 -2.854 474 HG21 VAL 24 HG21 VAL 24 7.544 0.467 -0.711 475 HG22 VAL 24 HG22 VAL 24 8.947 -0.592 -0.845 476 HG23 VAL 24 HG23 VAL 24 7.596 -0.771 -1.965 477 H ALA 25 HN ALA 25 9.263 3.842 -3.073 478 HA ALA 25 HA ALA 25 11.285 3.572 -4.989 479 HB1 ALA 25 HB1 ALA 25 9.791 6.073 -4.198 480 HB2 ALA 25 HB2 ALA 25 9.230 4.864 -5.351 481 HB3 ALA 25 HB3 ALA 25 10.667 5.823 -5.708 482 H ARG 26 HN ARG 26 11.162 5.488 -2.019 483 HA ARG 26 HA ARG 26 13.618 6.835 -2.377 484 HB2 ARG 26 HB2 ARG 26 11.829 7.443 -0.722 485 HB3 ARG 26 HB1 ARG 26 12.315 6.061 0.244 486 HG2 ARG 26 HG2 ARG 26 14.360 8.098 -0.490 487 HG3 ARG 26 HG1 ARG 26 13.196 8.467 0.782 488 HD2 ARG 26 HD2 ARG 26 13.894 6.533 2.042 489 HD3 ARG 26 HD1 ARG 26 14.957 6.019 0.732 490 HE ARG 26 HE ARG 26 15.870 8.495 1.330 491 HH11 ARG 26 HH11 ARG 26 15.195 5.689 3.306 492 HH12 ARG 26 HH12 ARG 26 16.471 6.015 4.430 493 HH21 ARG 26 HH21 ARG 26 17.548 8.931 2.805 494 HH22 ARG 26 HH22 ARG 26 17.815 7.868 4.151 495 H LEU 27 HN LEU 27 12.770 3.853 -0.667 496 HA LEU 27 HA LEU 27 15.365 3.171 0.175 497 HB2 LEU 27 HB2 LEU 27 12.784 1.765 -0.168 498 HB3 LEU 27 HB1 LEU 27 14.215 0.765 -0.103 499 HG LEU 27 HG LEU 27 14.706 1.401 2.114 500 HD11 LEU 27 HD11 LEU 27 14.339 3.812 1.888 501 HD12 LEU 27 HD12 LEU 27 13.556 3.156 3.325 502 HD13 LEU 27 HD13 LEU 27 12.596 3.540 1.895 503 HD21 LEU 27 HD21 LEU 27 11.729 1.128 1.796 504 HD22 LEU 27 HD22 LEU 27 12.598 0.958 3.318 505 HD23 LEU 27 HD23 LEU 27 12.901 -0.173 2.002 506 H LYS 28 HN LYS 28 13.597 2.478 -2.797 507 HA LYS 28 HA LYS 28 15.399 0.683 -3.960 508 HB2 LYS 28 HB2 LYS 28 13.336 2.553 -5.051 509 HB3 LYS 28 HB1 LYS 28 14.429 1.745 -6.163 510 HG2 LYS 28 HG2 LYS 28 12.655 0.348 -4.174 511 HG3 LYS 28 HG1 LYS 28 12.288 0.568 -5.885 512 HD2 LYS 28 HD2 LYS 28 14.367 -0.667 -6.441 513 HD3 LYS 28 HD1 LYS 28 14.614 -0.964 -4.720 514 HE2 LYS 28 HE2 LYS 28 13.602 -2.900 -5.736 515 HE3 LYS 28 HE1 LYS 28 12.449 -2.137 -4.644 516 HZ1 LYS 28 HZ1 LYS 28 11.413 -2.791 -6.723 517 HZ2 LYS 28 HZ2 LYS 28 12.495 -1.832 -7.598 518 HZ3 LYS 28 HZ3 LYS 28 11.380 -1.109 -6.552 519 H LYS 29 HN LYS 29 15.580 4.130 -3.598 520 HA LYS 29 HA LYS 29 17.558 4.512 -5.643 521 HB2 LYS 29 HB2 LYS 29 15.996 6.299 -4.854 522 HB3 LYS 29 HB1 LYS 29 16.866 6.328 -3.327 523 HG2 LYS 29 HG2 LYS 29 18.893 7.026 -4.470 524 HG3 LYS 29 HG1 LYS 29 18.054 6.946 -6.026 525 HD2 LYS 29 HD2 LYS 29 16.476 8.667 -5.231 526 HD3 LYS 29 HD1 LYS 29 17.386 8.778 -3.717 527 HE2 LYS 29 HE2 LYS 29 18.458 9.357 -6.478 528 HE3 LYS 29 HE1 LYS 29 18.002 10.561 -5.276 529 HZ1 LYS 29 HZ1 LYS 29 20.385 10.188 -5.308 530 HZ2 LYS 29 HZ2 LYS 29 20.164 8.550 -4.961 531 HZ3 LYS 29 HZ3 LYS 29 19.729 9.722 -3.824 532 H LEU 30 HN LEU 30 17.547 3.981 -2.181 533 HA LEU 30 HA LEU 30 20.376 4.358 -1.872 534 HB2 LEU 30 HB2 LEU 30 18.190 3.370 -0.073 535 HB3 LEU 30 HB1 LEU 30 19.869 3.175 0.387 536 HG LEU 30 HG LEU 30 20.143 5.656 0.172 537 HD11 LEU 30 HD11 LEU 30 17.141 5.616 -0.039 538 HD12 LEU 30 HD12 LEU 30 18.266 6.114 -1.303 539 HD13 LEU 30 HD13 LEU 30 18.146 7.048 0.188 540 HD21 LEU 30 HD21 LEU 30 18.091 4.666 2.141 541 HD22 LEU 30 HD22 LEU 30 19.025 6.154 2.292 542 HD23 LEU 30 HD23 LEU 30 19.843 4.591 2.332 543 H VAL 31 HN VAL 31 18.189 1.607 -2.204 544 HA VAL 31 HA VAL 31 20.264 -0.363 -2.088 545 HB VAL 31 HB VAL 31 17.503 -0.520 -3.336 546 HG11 VAL 31 HG11 VAL 31 17.766 -2.950 -3.182 547 HG12 VAL 31 HG12 VAL 31 19.421 -2.734 -2.613 548 HG13 VAL 31 HG13 VAL 31 18.977 -2.232 -4.244 549 HG21 VAL 31 HG21 VAL 31 17.392 -0.051 -0.961 550 HG22 VAL 31 HG22 VAL 31 18.494 -1.385 -0.620 551 HG23 VAL 31 HG23 VAL 31 16.889 -1.712 -1.272 552 H GLY 32 HN GLY 32 18.995 1.796 -4.421 553 HA2 GLY 32 HA2 GLY 32 19.968 0.580 -6.785 554 HA3 GLY 32 HA1 GLY 32 19.528 2.273 -6.581 555 H GLU 33 HN GLU 33 21.211 3.396 -4.980 556 HA GLU 33 HA GLU 33 23.920 2.495 -5.523 557 HB2 GLU 33 HB2 GLU 33 24.565 4.828 -6.264 558 HB3 GLU 33 HB1 GLU 33 23.653 3.873 -7.420 559 HG2 GLU 33 HG2 GLU 33 21.629 5.084 -6.866 560 HG3 GLU 33 HG1 GLU 33 22.496 6.001 -5.635 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 -24.669 -4.717 -7.142 2 H2 GLY 1 HT2 GLY 1 -23.366 -3.675 -7.418 3 H3 GLY 1 HT3 GLY 1 -24.800 -3.075 -6.761 4 HA2 GLY 1 HA1 GLY 1 -24.477 -4.376 -4.763 5 HA3 GLY 1 HA2 GLY 1 -22.992 -5.021 -5.451 6 H SER 2 HN SER 2 -22.777 -3.845 -3.063 7 HA SER 2 HA SER 2 -21.261 -1.438 -3.716 8 HB2 SER 2 HB2 SER 2 -22.189 -0.376 -1.578 9 HB3 SER 2 HB1 SER 2 -23.275 -0.428 -2.970 10 HG SER 2 HG SER 2 -24.485 -1.913 -1.999 11 H MET 3 HN MET 3 -22.251 -3.402 -0.922 12 HA MET 3 HA MET 3 -20.080 -2.848 0.687 13 HB2 MET 3 HB2 MET 3 -21.738 -5.369 0.609 14 HB3 MET 3 HB1 MET 3 -20.664 -4.914 1.923 15 HG2 MET 3 HG2 MET 3 -23.124 -3.436 1.022 16 HG3 MET 3 HG1 MET 3 -22.950 -4.399 2.487 17 HE1 MET 3 HE1 MET 3 -20.381 -2.260 4.546 18 HE2 MET 3 HE2 MET 3 -19.942 -3.513 3.385 19 HE3 MET 3 HE3 MET 3 -21.308 -3.758 4.472 20 H LYS 4 HN LYS 4 -20.477 -5.781 -1.341 21 HA LYS 4 HA LYS 4 -17.778 -6.576 -0.657 22 HB2 LYS 4 HB2 LYS 4 -19.929 -7.894 -2.297 23 HB3 LYS 4 HB1 LYS 4 -18.301 -8.544 -2.188 24 HG2 LYS 4 HG2 LYS 4 -19.519 -9.739 -0.602 25 HG3 LYS 4 HG1 LYS 4 -18.638 -8.535 0.335 26 HD2 LYS 4 HD2 LYS 4 -20.876 -8.636 1.174 27 HD3 LYS 4 HD1 LYS 4 -20.691 -7.115 0.301 28 HE2 LYS 4 HE2 LYS 4 -21.807 -8.059 -1.635 29 HE3 LYS 4 HE1 LYS 4 -21.929 -9.622 -0.830 30 HZ1 LYS 4 HZ1 LYS 4 -23.333 -8.576 0.853 31 HZ2 LYS 4 HZ2 LYS 4 -24.004 -8.437 -0.689 32 HZ3 LYS 4 HZ3 LYS 4 -23.252 -7.104 0.026 33 H GLN 5 HN GLN 5 -19.125 -4.629 -2.976 34 HA GLN 5 HA GLN 5 -17.291 -5.313 -5.124 35 HB2 GLN 5 HB2 GLN 5 -19.561 -3.352 -4.863 36 HB3 GLN 5 HB1 GLN 5 -18.440 -3.275 -6.215 37 HG2 GLN 5 HG2 GLN 5 -20.037 -5.722 -5.508 38 HG3 GLN 5 HG1 GLN 5 -20.565 -4.502 -6.667 39 HE21 GLN 5 HE21 GLN 5 -18.350 -7.101 -6.047 40 HE22 GLN 5 HE22 GLN 5 -17.753 -7.249 -7.663 41 H LEU 6 HN LEU 6 -18.066 -2.599 -3.003 42 HA LEU 6 HA LEU 6 -15.764 -1.075 -3.625 43 HB2 LEU 6 HB2 LEU 6 -17.725 -1.125 -1.365 44 HB3 LEU 6 HB1 LEU 6 -16.246 -0.211 -1.199 45 HG LEU 6 HG LEU 6 -18.310 1.079 -1.915 46 HD11 LEU 6 HD11 LEU 6 -16.043 1.963 -2.093 47 HD12 LEU 6 HD12 LEU 6 -17.050 2.496 -3.440 48 HD13 LEU 6 HD13 LEU 6 -15.868 1.210 -3.680 49 HD21 LEU 6 HD21 LEU 6 -19.170 -0.524 -3.548 50 HD22 LEU 6 HD22 LEU 6 -17.736 -0.284 -4.547 51 HD23 LEU 6 HD23 LEU 6 -18.865 1.046 -4.291 52 H GLU 7 HN GLU 7 -16.542 -3.465 -1.134 53 HA GLU 7 HA GLU 7 -14.087 -3.520 0.187 54 HB2 GLU 7 HB2 GLU 7 -16.125 -4.686 0.969 55 HB3 GLU 7 HB1 GLU 7 -15.935 -5.853 -0.331 56 HG2 GLU 7 HG2 GLU 7 -13.809 -6.572 0.617 57 HG3 GLU 7 HG1 GLU 7 -13.989 -5.393 1.915 58 H ASP 8 HN ASP 8 -15.112 -5.038 -2.840 59 HA ASP 8 HA ASP 8 -12.875 -6.672 -3.282 60 HB2 ASP 8 HB2 ASP 8 -14.804 -5.290 -5.077 61 HB3 ASP 8 HB1 ASP 8 -13.306 -5.867 -5.797 62 H LYS 9 HN LYS 9 -13.332 -3.230 -3.874 63 HA LYS 9 HA LYS 9 -10.761 -2.847 -5.054 64 HB2 LYS 9 HB2 LYS 9 -12.681 -0.837 -3.867 65 HB3 LYS 9 HB1 LYS 9 -11.274 -0.444 -4.846 66 HG2 LYS 9 HG2 LYS 9 -13.650 -2.049 -5.769 67 HG3 LYS 9 HG1 LYS 9 -13.354 -0.348 -6.128 68 HD2 LYS 9 HD2 LYS 9 -11.309 -0.935 -7.312 69 HD3 LYS 9 HD1 LYS 9 -11.548 -2.636 -6.912 70 HE2 LYS 9 HE2 LYS 9 -12.254 -2.171 -9.195 71 HE3 LYS 9 HE1 LYS 9 -13.624 -2.652 -8.196 72 HZ1 LYS 9 HZ1 LYS 9 -12.922 0.145 -8.903 73 HZ2 LYS 9 HZ2 LYS 9 -14.258 -0.344 -7.989 74 HZ3 LYS 9 HZ3 LYS 9 -14.151 -0.768 -9.621 75 H VAL 10 HN VAL 10 -12.098 -2.455 -1.810 76 HA VAL 10 HA VAL 10 -9.946 -1.131 -0.608 77 HB VAL 10 HB VAL 10 -11.566 -3.242 0.806 78 HG11 VAL 10 HG11 VAL 10 -10.292 -0.684 1.751 79 HG12 VAL 10 HG12 VAL 10 -9.699 -2.321 2.053 80 HG13 VAL 10 HG13 VAL 10 -11.230 -1.795 2.752 81 HG21 VAL 10 HG21 VAL 10 -13.294 -1.702 1.268 82 HG22 VAL 10 HG22 VAL 10 -13.031 -1.643 -0.478 83 HG23 VAL 10 HG23 VAL 10 -12.388 -0.370 0.560 84 H GLU 11 HN GLU 11 -10.634 -4.631 -0.722 85 HA GLU 11 HA GLU 11 -8.179 -5.348 0.540 86 HB2 GLU 11 HB2 GLU 11 -10.257 -6.737 0.575 87 HB3 GLU 11 HB1 GLU 11 -10.012 -7.091 -1.129 88 HG2 GLU 11 HG2 GLU 11 -7.873 -8.153 -0.592 89 HG3 GLU 11 HG1 GLU 11 -8.146 -7.818 1.116 90 H GLU 12 HN GLU 12 -9.061 -4.632 -2.717 91 HA GLU 12 HA GLU 12 -6.911 -5.982 -4.000 92 HB2 GLU 12 HB2 GLU 12 -8.915 -5.268 -5.227 93 HB3 GLU 12 HB1 GLU 12 -8.524 -3.588 -4.901 94 HG2 GLU 12 HG2 GLU 12 -6.596 -3.684 -6.285 95 HG3 GLU 12 HG1 GLU 12 -6.734 -5.434 -6.453 96 H LEU 13 HN LEU 13 -7.419 -2.683 -2.804 97 HA LEU 13 HA LEU 13 -4.741 -1.850 -3.312 98 HB2 LEU 13 HB2 LEU 13 -6.804 -0.788 -1.383 99 HB3 LEU 13 HB1 LEU 13 -5.259 -0.019 -1.696 100 HG LEU 13 HG LEU 13 -7.533 -0.379 -3.644 101 HD11 LEU 13 HD11 LEU 13 -6.244 2.090 -2.500 102 HD12 LEU 13 HD12 LEU 13 -7.797 1.420 -2.002 103 HD13 LEU 13 HD13 LEU 13 -7.589 2.043 -3.640 104 HD21 LEU 13 HD21 LEU 13 -6.119 0.872 -5.229 105 HD22 LEU 13 HD22 LEU 13 -5.453 -0.709 -4.831 106 HD23 LEU 13 HD23 LEU 13 -4.771 0.743 -4.099 107 H LEU 14 HN LEU 14 -6.340 -3.580 -0.771 108 HA LEU 14 HA LEU 14 -4.336 -3.449 1.209 109 HB2 LEU 14 HB2 LEU 14 -6.725 -4.327 1.404 110 HB3 LEU 14 HB1 LEU 14 -6.131 -5.806 0.682 111 HG LEU 14 HG LEU 14 -4.486 -5.967 2.589 112 HD11 LEU 14 HD11 LEU 14 -4.990 -4.718 4.613 113 HD12 LEU 14 HD12 LEU 14 -6.267 -3.841 3.768 114 HD13 LEU 14 HD13 LEU 14 -4.580 -3.624 3.292 115 HD21 LEU 14 HD21 LEU 14 -6.492 -7.335 2.490 116 HD22 LEU 14 HD22 LEU 14 -7.429 -6.040 3.235 117 HD23 LEU 14 HD23 LEU 14 -6.156 -6.847 4.151 118 H SER 15 HN SER 15 -4.663 -5.228 -1.722 119 HA SER 15 HA SER 15 -2.737 -7.250 -1.206 120 HB2 SER 15 HB2 SER 15 -3.673 -6.195 -3.887 121 HB3 SER 15 HB1 SER 15 -2.898 -7.748 -3.580 122 HG SER 15 HG SER 15 -5.256 -7.108 -2.193 123 H LYS 16 HN LYS 16 -2.651 -4.144 -2.972 124 HA LYS 16 HA LYS 16 0.151 -4.259 -3.395 125 HB2 LYS 16 HB2 LYS 16 -1.779 -1.946 -3.426 126 HB3 LYS 16 HB1 LYS 16 -0.048 -1.718 -3.637 127 HG2 LYS 16 HG2 LYS 16 -0.334 -3.524 -5.500 128 HG3 LYS 16 HG1 LYS 16 -2.024 -3.027 -5.442 129 HD2 LYS 16 HD2 LYS 16 0.297 -1.140 -5.839 130 HD3 LYS 16 HD1 LYS 16 -0.665 -1.818 -7.149 131 HE2 LYS 16 HE2 LYS 16 -1.779 -0.131 -4.904 132 HE3 LYS 16 HE1 LYS 16 -1.323 0.488 -6.491 133 HZ1 LYS 16 HZ1 LYS 16 -2.960 -0.972 -7.495 134 HZ2 LYS 16 HZ2 LYS 16 -3.686 0.050 -6.366 135 HZ3 LYS 16 HZ3 LYS 16 -3.400 -1.569 -5.978 136 H ASN 17 HN ASN 17 -1.872 -2.954 -0.798 137 HA ASN 17 HA ASN 17 0.066 -1.767 0.790 138 HB2 ASN 17 HB2 ASN 17 -2.504 -3.137 1.338 139 HB3 ASN 17 HB1 ASN 17 -1.399 -3.007 2.697 140 HD21 ASN 17 HD21 ASN 17 -3.424 -1.294 0.482 141 HD22 ASN 17 HD22 ASN 17 -3.359 0.232 1.294 142 H TYR 18 HN TYR 18 -0.872 -5.192 0.589 143 HA TYR 18 HA TYR 18 0.993 -6.116 2.491 144 HB2 TYR 18 HB2 TYR 18 -0.842 -7.522 1.737 145 HB3 TYR 18 HB1 TYR 18 -0.187 -7.549 0.103 146 HD1 TYR 18 HD1 TYR 18 0.559 -8.563 3.599 147 HD2 TYR 18 HD2 TYR 18 1.367 -9.188 -0.530 148 HE1 TYR 18 HE1 TYR 18 1.879 -10.557 4.165 149 HE2 TYR 18 HE2 TYR 18 2.690 -11.182 0.024 150 HH TYR 18 HH TYR 18 2.692 -12.570 3.182 151 H HIS 19 HN HIS 19 1.243 -5.810 -1.035 152 HA HIS 19 HA HIS 19 3.809 -6.991 -1.209 153 HB2 HIS 19 HB2 HIS 19 2.210 -5.290 -3.103 154 HB3 HIS 19 HB1 HIS 19 3.828 -5.855 -3.505 155 HD1 HIS 19 HD1 HIS 19 0.546 -6.726 -4.237 156 HD2 HIS 19 HD2 HIS 19 3.811 -8.912 -2.880 157 HE1 HIS 19 HE1 HIS 19 0.050 -9.116 -4.825 158 HE2 HIS 19 HE2 HIS 19 2.092 -10.405 -4.106 159 H LEU 20 HN LEU 20 2.810 -3.574 -1.332 160 HA LEU 20 HA LEU 20 5.348 -2.442 -1.667 161 HB2 LEU 20 HB2 LEU 20 3.073 -1.275 -0.070 162 HB3 LEU 20 HB1 LEU 20 4.381 -0.378 -0.802 163 HG LEU 20 HG LEU 20 2.116 -1.765 -2.143 164 HD11 LEU 20 HD11 LEU 20 1.563 0.389 -1.259 165 HD12 LEU 20 HD12 LEU 20 1.616 0.462 -3.019 166 HD13 LEU 20 HD13 LEU 20 2.955 1.107 -2.069 167 HD21 LEU 20 HD21 LEU 20 4.525 -0.500 -3.426 168 HD22 LEU 20 HD22 LEU 20 3.071 -0.999 -4.288 169 HD23 LEU 20 HD23 LEU 20 4.076 -2.205 -3.485 170 H GLU 21 HN GLU 21 3.458 -2.978 1.250 171 HA GLU 21 HA GLU 21 5.289 -1.958 3.101 172 HB2 GLU 21 HB2 GLU 21 2.783 -2.855 3.306 173 HB3 GLU 21 HB1 GLU 21 3.613 -4.285 3.899 174 HG2 GLU 21 HG2 GLU 21 4.692 -2.963 5.627 175 HG3 GLU 21 HG1 GLU 21 3.908 -1.507 5.014 176 H ASN 22 HN ASN 22 4.942 -5.222 1.783 177 HA ASN 22 HA ASN 22 7.038 -6.384 3.297 178 HB2 ASN 22 HB2 ASN 22 5.588 -7.154 0.792 179 HB3 ASN 22 HB1 ASN 22 7.055 -8.013 1.236 180 HD21 ASN 22 HD21 ASN 22 5.940 -9.924 1.546 181 HD22 ASN 22 HD22 ASN 22 4.916 -10.186 2.913 182 H GLU 23 HN GLU 23 6.922 -4.815 0.116 183 HA GLU 23 HA GLU 23 9.595 -5.355 -0.607 184 HB2 GLU 23 HB2 GLU 23 7.756 -3.101 -1.416 185 HB3 GLU 23 HB1 GLU 23 9.344 -3.357 -2.126 186 HG2 GLU 23 HG2 GLU 23 7.045 -5.301 -2.202 187 HG3 GLU 23 HG1 GLU 23 7.568 -4.263 -3.526 188 H VAL 24 HN VAL 24 8.147 -2.650 1.164 189 HA VAL 24 HA VAL 24 10.461 -1.090 1.439 190 HB VAL 24 HB VAL 24 8.260 -1.353 3.505 191 HG11 VAL 24 HG11 VAL 24 10.254 -0.164 4.275 192 HG12 VAL 24 HG12 VAL 24 8.873 0.923 4.117 193 HG13 VAL 24 HG13 VAL 24 10.138 0.921 2.888 194 HG21 VAL 24 HG21 VAL 24 7.300 -0.873 1.312 195 HG22 VAL 24 HG22 VAL 24 8.400 0.492 1.124 196 HG23 VAL 24 HG23 VAL 24 7.167 0.520 2.384 197 H ALA 25 HN ALA 25 9.198 -3.769 3.370 198 HA ALA 25 HA ALA 25 11.098 -3.651 5.449 199 HB1 ALA 25 HB1 ALA 25 10.381 -5.928 5.988 200 HB2 ALA 25 HB2 ALA 25 9.569 -6.049 4.428 201 HB3 ALA 25 HB3 ALA 25 8.993 -4.898 5.634 202 H ARG 26 HN ARG 26 11.021 -5.505 2.424 203 HA ARG 26 HA ARG 26 13.424 -6.919 2.782 204 HB2 ARG 26 HB2 ARG 26 12.292 -5.938 0.157 205 HB3 ARG 26 HB1 ARG 26 13.418 -7.267 0.381 206 HG2 ARG 26 HG2 ARG 26 10.557 -7.176 1.312 207 HG3 ARG 26 HG1 ARG 26 11.188 -8.091 -0.056 208 HD2 ARG 26 HD2 ARG 26 12.557 -9.428 1.454 209 HD3 ARG 26 HD1 ARG 26 11.976 -8.487 2.829 210 HE ARG 26 HE ARG 26 9.829 -9.633 1.352 211 HH11 ARG 26 HH11 ARG 26 12.293 -10.393 3.720 212 HH12 ARG 26 HH12 ARG 26 11.390 -11.691 4.432 213 HH21 ARG 26 HH21 ARG 26 8.635 -11.345 2.284 214 HH22 ARG 26 HH22 ARG 26 9.306 -12.231 3.617 215 H LEU 27 HN LEU 27 12.790 -3.880 1.071 216 HA LEU 27 HA LEU 27 15.441 -3.370 0.316 217 HB2 LEU 27 HB2 LEU 27 12.965 -1.751 0.545 218 HB3 LEU 27 HB1 LEU 27 14.486 -0.913 0.425 219 HG LEU 27 HG LEU 27 14.923 -1.746 -1.744 220 HD11 LEU 27 HD11 LEU 27 12.543 -3.572 -1.408 221 HD12 LEU 27 HD12 LEU 27 14.234 -4.070 -1.395 222 HD13 LEU 27 HD13 LEU 27 13.525 -3.399 -2.863 223 HD21 LEU 27 HD21 LEU 27 13.352 0.064 -1.719 224 HD22 LEU 27 HD22 LEU 27 12.009 -1.053 -1.477 225 HD23 LEU 27 HD23 LEU 27 12.909 -1.071 -2.994 226 H LYS 28 HN LYS 28 13.652 -2.521 3.234 227 HA LYS 28 HA LYS 28 15.431 -0.656 4.307 228 HB2 LYS 28 HB2 LYS 28 13.079 -1.473 5.113 229 HB3 LYS 28 HB1 LYS 28 14.000 -2.639 6.047 230 HG2 LYS 28 HG2 LYS 28 13.663 -0.931 7.556 231 HG3 LYS 28 HG1 LYS 28 15.275 -0.576 6.936 232 HD2 LYS 28 HD2 LYS 28 12.992 0.649 5.499 233 HD3 LYS 28 HD1 LYS 28 13.330 1.266 7.114 234 HE2 LYS 28 HE2 LYS 28 15.381 1.063 4.912 235 HE3 LYS 28 HE1 LYS 28 14.450 2.513 5.266 236 HZ1 LYS 28 HZ1 LYS 28 16.306 1.142 7.141 237 HZ2 LYS 28 HZ2 LYS 28 15.402 2.532 7.486 238 HZ3 LYS 28 HZ3 LYS 28 16.612 2.587 6.312 239 H LYS 29 HN LYS 29 15.371 -4.165 4.478 240 HA LYS 29 HA LYS 29 17.654 -4.389 6.201 241 HB2 LYS 29 HB2 LYS 29 15.779 -6.065 6.002 242 HB3 LYS 29 HB1 LYS 29 16.420 -6.501 4.425 243 HG2 LYS 29 HG2 LYS 29 17.182 -8.107 6.002 244 HG3 LYS 29 HG1 LYS 29 18.563 -7.103 5.542 245 HD2 LYS 29 HD2 LYS 29 18.332 -5.806 7.584 246 HD3 LYS 29 HD1 LYS 29 16.898 -6.741 8.035 247 HE2 LYS 29 HE2 LYS 29 19.717 -7.770 7.752 248 HE3 LYS 29 HE1 LYS 29 18.817 -7.556 9.252 249 HZ1 LYS 29 HZ1 LYS 29 17.210 -9.210 8.409 250 HZ2 LYS 29 HZ2 LYS 29 18.758 -9.845 8.629 251 HZ3 LYS 29 HZ3 LYS 29 18.213 -9.477 7.073 252 H LEU 30 HN LEU 30 17.171 -3.884 2.882 253 HA LEU 30 HA LEU 30 19.695 -5.051 2.053 254 HB2 LEU 30 HB2 LEU 30 17.538 -3.644 0.503 255 HB3 LEU 30 HB1 LEU 30 19.010 -4.275 -0.213 256 HG LEU 30 HG LEU 30 17.025 -5.992 1.273 257 HD11 LEU 30 HD11 LEU 30 17.286 -5.511 -1.682 258 HD12 LEU 30 HD12 LEU 30 15.945 -5.012 -0.652 259 HD13 LEU 30 HD13 LEU 30 16.256 -6.723 -0.921 260 HD21 LEU 30 HD21 LEU 30 19.150 -7.051 1.203 261 HD22 LEU 30 HD22 LEU 30 19.401 -6.585 -0.478 262 HD23 LEU 30 HD23 LEU 30 18.178 -7.786 -0.068 263 H VAL 31 HN VAL 31 18.250 -1.929 2.661 264 HA VAL 31 HA VAL 31 20.553 -0.420 1.883 265 HB VAL 31 HB VAL 31 18.400 0.306 3.900 266 HG11 VAL 31 HG11 VAL 31 20.401 1.671 4.160 267 HG12 VAL 31 HG12 VAL 31 19.079 2.624 3.487 268 HG13 VAL 31 HG13 VAL 31 20.377 2.055 2.438 269 HG21 VAL 31 HG21 VAL 31 17.374 1.581 2.080 270 HG22 VAL 31 HG22 VAL 31 17.437 -0.143 1.714 271 HG23 VAL 31 HG23 VAL 31 18.589 0.961 0.962 272 H GLY 32 HN GLY 32 19.598 -2.331 4.564 273 HA2 GLY 32 HA2 GLY 32 21.010 -3.316 6.117 274 HA3 GLY 32 HA1 GLY 32 22.281 -2.198 5.641 275 H GLU 33 HN GLU 33 19.142 -0.976 6.408 276 HA GLU 33 HA GLU 33 20.114 -0.108 9.041 277 HB2 GLU 33 HB2 GLU 33 18.832 1.674 6.959 278 HB3 GLU 33 HB1 GLU 33 19.139 2.143 8.623 279 HG2 GLU 33 HG2 GLU 33 21.549 1.790 8.244 280 HG3 GLU 33 HG1 GLU 33 21.201 1.425 6.555 281 H1 GLY 1 HT1 GLY 1 -24.888 4.826 6.108 282 H2 GLY 1 HT2 GLY 1 -23.613 3.764 6.429 283 H3 GLY 1 HT3 GLY 1 -25.027 3.191 5.709 284 HA2 GLY 1 HA1 GLY 1 -24.606 4.495 3.736 285 HA3 GLY 1 HA2 GLY 1 -23.149 5.128 4.488 286 H SER 2 HN SER 2 -22.856 3.951 2.097 287 HA SER 2 HA SER 2 -21.376 1.537 2.795 288 HB2 SER 2 HB2 SER 2 -22.228 0.493 0.619 289 HB3 SER 2 HB1 SER 2 -23.365 0.545 1.969 290 HG SER 2 HG SER 2 -24.520 2.063 0.973 291 H MET 3 HN MET 3 -22.240 3.525 -0.025 292 HA MET 3 HA MET 3 -20.007 2.959 -1.548 293 HB2 MET 3 HB2 MET 3 -21.644 5.495 -1.524 294 HB3 MET 3 HB1 MET 3 -20.520 5.036 -2.794 295 HG2 MET 3 HG2 MET 3 -23.027 3.570 -2.003 296 HG3 MET 3 HG1 MET 3 -22.788 4.543 -3.453 297 HE1 MET 3 HE1 MET 3 -20.147 2.399 -5.419 298 HE2 MET 3 HE2 MET 3 -19.744 3.636 -4.229 299 HE3 MET 3 HE3 MET 3 -21.061 3.905 -5.370 300 H LYS 4 HN LYS 4 -20.458 5.893 0.466 301 HA LYS 4 HA LYS 4 -17.727 6.664 -0.099 302 HB2 LYS 4 HB2 LYS 4 -19.936 7.989 1.458 303 HB3 LYS 4 HB1 LYS 4 -18.303 8.628 1.420 304 HG2 LYS 4 HG2 LYS 4 -19.445 9.841 -0.206 305 HG3 LYS 4 HG1 LYS 4 -18.537 8.638 -1.117 306 HD2 LYS 4 HD2 LYS 4 -20.738 8.759 -2.042 307 HD3 LYS 4 HD1 LYS 4 -20.603 7.233 -1.168 308 HE2 LYS 4 HE2 LYS 4 -21.791 8.181 0.723 309 HE3 LYS 4 HE1 LYS 4 -21.862 9.747 -0.078 310 HZ1 LYS 4 HZ1 LYS 4 -23.209 8.730 -1.823 311 HZ2 LYS 4 HZ2 LYS 4 -23.942 8.584 -0.309 312 HZ3 LYS 4 HZ3 LYS 4 -23.175 7.251 -1.007 313 H GLN 5 HN GLN 5 -19.184 4.721 2.161 314 HA GLN 5 HA GLN 5 -17.434 5.381 4.384 315 HB2 GLN 5 HB2 GLN 5 -19.709 3.440 4.021 316 HB3 GLN 5 HB1 GLN 5 -18.648 3.351 5.419 317 HG2 GLN 5 HG2 GLN 5 -20.190 5.814 4.653 318 HG3 GLN 5 HG1 GLN 5 -20.780 4.592 5.779 319 HE21 GLN 5 HE21 GLN 5 -18.503 7.163 5.271 320 HE22 GLN 5 HE22 GLN 5 -17.981 7.295 6.917 321 H LEU 6 HN LEU 6 -18.145 2.687 2.217 322 HA LEU 6 HA LEU 6 -15.884 1.140 2.930 323 HB2 LEU 6 HB2 LEU 6 -17.751 1.211 0.592 324 HB3 LEU 6 HB1 LEU 6 -16.273 0.288 0.483 325 HG LEU 6 HG LEU 6 -18.373 -0.988 1.108 326 HD11 LEU 6 HD11 LEU 6 -16.122 -1.890 1.377 327 HD12 LEU 6 HD12 LEU 6 -17.189 -2.420 2.679 328 HD13 LEU 6 HD13 LEU 6 -16.008 -1.145 2.972 329 HD21 LEU 6 HD21 LEU 6 -19.287 0.614 2.710 330 HD22 LEU 6 HD22 LEU 6 -17.895 0.360 3.766 331 HD23 LEU 6 HD23 LEU 6 -19.023 -0.961 3.458 332 H GLU 7 HN GLU 7 -16.539 3.547 0.420 333 HA GLU 7 HA GLU 7 -14.030 3.586 -0.800 334 HB2 GLU 7 HB2 GLU 7 -16.028 4.768 -1.660 335 HB3 GLU 7 HB1 GLU 7 -15.882 5.930 -0.349 336 HG2 GLU 7 HG2 GLU 7 -13.717 6.641 -1.210 337 HG3 GLU 7 HG1 GLU 7 -13.852 5.467 -2.520 338 H ASP 8 HN ASP 8 -15.168 5.099 2.188 339 HA ASP 8 HA ASP 8 -12.939 6.717 2.729 340 HB2 ASP 8 HB2 ASP 8 -14.953 5.342 4.437 341 HB3 ASP 8 HB1 ASP 8 -13.481 5.905 5.221 342 H LYS 9 HN LYS 9 -13.447 3.275 3.288 343 HA LYS 9 HA LYS 9 -10.927 2.863 4.570 344 HB2 LYS 9 HB2 LYS 9 -12.813 0.874 3.296 345 HB3 LYS 9 HB1 LYS 9 -11.451 0.465 4.329 346 HG2 LYS 9 HG2 LYS 9 -13.849 2.082 5.164 347 HG3 LYS 9 HG1 LYS 9 -13.582 0.377 5.527 348 HD2 LYS 9 HD2 LYS 9 -11.582 0.944 6.797 349 HD3 LYS 9 HD1 LYS 9 -11.790 2.647 6.391 350 HE2 LYS 9 HE2 LYS 9 -12.595 2.187 8.639 351 HE3 LYS 9 HE1 LYS 9 -13.919 2.677 7.586 352 HZ1 LYS 9 HZ1 LYS 9 -13.264 -0.125 8.322 353 HZ2 LYS 9 HZ2 LYS 9 -14.565 0.372 7.359 354 HZ3 LYS 9 HZ3 LYS 9 -14.514 0.796 8.994 355 H VAL 10 HN VAL 10 -12.135 2.489 1.271 356 HA VAL 10 HA VAL 10 -9.945 1.157 0.150 357 HB VAL 10 HB VAL 10 -11.490 3.289 -1.317 358 HG11 VAL 10 HG11 VAL 10 -10.201 0.723 -2.221 359 HG12 VAL 10 HG12 VAL 10 -9.583 2.356 -2.493 360 HG13 VAL 10 HG13 VAL 10 -11.089 1.844 -3.255 361 HG21 VAL 10 HG21 VAL 10 -13.211 1.763 -1.855 362 HG22 VAL 10 HG22 VAL 10 -13.020 1.697 -0.101 363 HG23 VAL 10 HG23 VAL 10 -12.344 0.422 -1.115 364 H GLU 11 HN GLU 11 -10.609 4.663 0.263 365 HA GLU 11 HA GLU 11 -8.103 5.362 -0.909 366 HB2 GLU 11 HB2 GLU 11 -10.164 6.771 -1.018 367 HB3 GLU 11 HB1 GLU 11 -9.983 7.114 0.697 368 HG2 GLU 11 HG2 GLU 11 -7.816 8.164 0.250 369 HG3 GLU 11 HG1 GLU 11 -8.023 7.839 -1.470 370 H GLU 12 HN GLU 12 -9.122 4.651 2.309 371 HA GLU 12 HA GLU 12 -7.012 5.971 3.685 372 HB2 GLU 12 HB2 GLU 12 -9.072 5.267 4.826 373 HB3 GLU 12 HB1 GLU 12 -8.680 3.584 4.510 374 HG2 GLU 12 HG2 GLU 12 -6.809 3.664 5.970 375 HG3 GLU 12 HG1 GLU 12 -6.938 5.413 6.137 376 H LEU 13 HN LEU 13 -7.501 2.683 2.457 377 HA LEU 13 HA LEU 13 -4.853 1.824 3.069 378 HB2 LEU 13 HB2 LEU 13 -6.845 0.788 1.053 379 HB3 LEU 13 HB1 LEU 13 -5.321 0.007 1.428 380 HG LEU 13 HG LEU 13 -7.668 0.379 3.283 381 HD11 LEU 13 HD11 LEU 13 -6.351 -2.094 2.181 382 HD12 LEU 13 HD12 LEU 13 -7.877 -1.412 1.624 383 HD13 LEU 13 HD13 LEU 13 -7.741 -2.042 3.265 384 HD21 LEU 13 HD21 LEU 13 -6.327 -0.894 4.914 385 HD22 LEU 13 HD22 LEU 13 -5.634 0.687 4.551 386 HD23 LEU 13 HD23 LEU 13 -4.935 -0.767 3.838 387 H LEU 14 HN LEU 14 -6.333 3.577 0.470 388 HA LEU 14 HA LEU 14 -4.248 3.440 -1.424 389 HB2 LEU 14 HB2 LEU 14 -6.623 4.336 -1.713 390 HB3 LEU 14 HB1 LEU 14 -6.047 5.808 -0.961 391 HG LEU 14 HG LEU 14 -4.325 5.965 -2.802 392 HD11 LEU 14 HD11 LEU 14 -4.755 4.726 -4.848 393 HD12 LEU 14 HD12 LEU 14 -6.069 3.854 -4.059 394 HD13 LEU 14 HD13 LEU 14 -4.406 3.623 -3.516 395 HD21 LEU 14 HD21 LEU 14 -6.326 7.343 -2.779 396 HD22 LEU 14 HD22 LEU 14 -7.239 6.057 -3.567 397 HD23 LEU 14 HD23 LEU 14 -5.924 6.860 -4.426 398 H SER 15 HN SER 15 -4.686 5.212 1.497 399 HA SER 15 HA SER 15 -2.721 7.217 1.066 400 HB2 SER 15 HB2 SER 15 -3.799 6.166 3.693 401 HB3 SER 15 HB1 SER 15 -2.970 7.702 3.437 402 HG SER 15 HG SER 15 -5.291 7.117 1.952 403 H LYS 16 HN LYS 16 -2.734 4.101 2.818 404 HA LYS 16 HA LYS 16 0.050 4.198 3.357 405 HB2 LYS 16 HB2 LYS 16 -1.895 1.900 3.305 406 HB3 LYS 16 HB1 LYS 16 -0.175 1.658 3.581 407 HG2 LYS 16 HG2 LYS 16 -0.515 3.457 5.442 408 HG3 LYS 16 HG1 LYS 16 -2.206 2.981 5.312 409 HD2 LYS 16 HD2 LYS 16 0.073 1.064 5.797 410 HD3 LYS 16 HD1 LYS 16 -0.935 1.750 7.068 411 HE2 LYS 16 HE2 LYS 16 -1.978 0.091 4.772 412 HE3 LYS 16 HE1 LYS 16 -1.589 -0.548 6.369 413 HZ1 LYS 16 HZ1 LYS 16 -3.249 0.925 7.323 414 HZ2 LYS 16 HZ2 LYS 16 -3.943 -0.085 6.163 415 HZ3 LYS 16 HZ3 LYS 16 -3.626 1.533 5.794 416 H ASN 17 HN ASN 17 -1.873 2.919 0.673 417 HA ASN 17 HA ASN 17 0.119 1.720 -0.838 418 HB2 ASN 17 HB2 ASN 17 -2.416 3.112 -1.480 419 HB3 ASN 17 HB1 ASN 17 -1.261 2.980 -2.797 420 HD21 ASN 17 HD21 ASN 17 -3.385 1.280 -0.675 421 HD22 ASN 17 HD22 ASN 17 -3.301 -0.247 -1.484 422 H TYR 18 HN TYR 18 -0.805 5.152 -0.667 423 HA TYR 18 HA TYR 18 1.147 6.072 -2.480 424 HB2 TYR 18 HB2 TYR 18 -0.709 7.488 -1.793 425 HB3 TYR 18 HB1 TYR 18 -0.118 7.503 -0.134 426 HD1 TYR 18 HD1 TYR 18 0.776 8.525 -3.597 427 HD2 TYR 18 HD2 TYR 18 1.416 9.129 0.566 428 HE1 TYR 18 HE1 TYR 18 2.139 10.510 -4.099 429 HE2 TYR 18 HE2 TYR 18 2.777 11.116 0.075 430 HH TYR 18 HH TYR 18 2.939 12.504 -3.081 431 H HIS 19 HN HIS 19 1.248 5.748 1.053 432 HA HIS 19 HA HIS 19 3.815 6.910 1.338 433 HB2 HIS 19 HB2 HIS 19 2.131 5.211 3.160 434 HB3 HIS 19 HB1 HIS 19 3.734 5.766 3.627 435 HD1 HIS 19 HD1 HIS 19 0.423 6.657 4.222 436 HD2 HIS 19 HD2 HIS 19 3.763 8.822 3.024 437 HE1 HIS 19 HE1 HIS 19 -0.073 9.047 4.815 438 HE2 HIS 19 HE2 HIS 19 1.997 10.326 4.163 439 H LEU 20 HN LEU 20 2.784 3.502 1.398 440 HA LEU 20 HA LEU 20 5.300 2.350 1.836 441 HB2 LEU 20 HB2 LEU 20 3.085 1.202 0.145 442 HB3 LEU 20 HB1 LEU 20 4.354 0.293 0.929 443 HG LEU 20 HG LEU 20 2.047 1.699 2.178 444 HD11 LEU 20 HD11 LEU 20 1.513 -0.447 1.263 445 HD12 LEU 20 HD12 LEU 20 1.494 -0.530 3.023 446 HD13 LEU 20 HD13 LEU 20 2.865 -1.180 2.125 447 HD21 LEU 20 HD21 LEU 20 4.391 0.407 3.555 448 HD22 LEU 20 HD22 LEU 20 2.906 0.914 4.359 449 HD23 LEU 20 HD23 LEU 20 3.953 2.115 3.604 450 H GLU 21 HN GLU 21 3.533 2.905 -1.154 451 HA GLU 21 HA GLU 21 5.433 1.883 -2.931 452 HB2 GLU 21 HB2 GLU 21 2.943 2.800 -3.239 453 HB3 GLU 21 HB1 GLU 21 3.811 4.226 -3.792 454 HG2 GLU 21 HG2 GLU 21 4.952 2.901 -5.475 455 HG3 GLU 21 HG1 GLU 21 4.134 1.446 -4.896 456 H ASN 22 HN ASN 22 5.058 5.143 -1.612 457 HA ASN 22 HA ASN 22 7.221 6.296 -3.040 458 HB2 ASN 22 HB2 ASN 22 5.678 7.061 -0.590 459 HB3 ASN 22 HB1 ASN 22 7.167 7.916 -0.973 460 HD21 ASN 22 HD21 ASN 22 6.094 9.832 -1.322 461 HD22 ASN 22 HD22 ASN 22 5.120 10.112 -2.723 462 H GLU 23 HN GLU 23 6.965 4.716 0.130 463 HA GLU 23 HA GLU 23 9.612 5.230 0.964 464 HB2 GLU 23 HB2 GLU 23 7.722 2.988 1.685 465 HB3 GLU 23 HB1 GLU 23 9.281 3.228 2.460 466 HG2 GLU 23 HG2 GLU 23 6.996 5.190 2.452 467 HG3 GLU 23 HG1 GLU 23 7.462 4.144 3.793 468 H VAL 24 HN VAL 24 8.214 2.541 -0.872 469 HA VAL 24 HA VAL 24 10.526 0.967 -1.066 470 HB VAL 24 HB VAL 24 8.410 1.256 -3.217 471 HG11 VAL 24 HG11 VAL 24 10.426 0.050 -3.912 472 HG12 VAL 24 HG12 VAL 24 9.029 -1.023 -3.816 473 HG13 VAL 24 HG13 VAL 24 10.244 -1.039 -2.535 474 HG21 VAL 24 HG21 VAL 24 7.361 0.774 -1.065 475 HG22 VAL 24 HG22 VAL 24 8.443 -0.600 -0.841 476 HG23 VAL 24 HG23 VAL 24 7.262 -0.615 -2.149 477 H ALA 25 HN ALA 25 9.362 3.667 -3.028 478 HA ALA 25 HA ALA 25 11.345 3.547 -5.029 479 HB1 ALA 25 HB1 ALA 25 10.667 5.827 -5.590 480 HB2 ALA 25 HB2 ALA 25 9.792 5.951 -4.063 481 HB3 ALA 25 HB3 ALA 25 9.256 4.808 -5.295 482 H ARG 26 HN ARG 26 11.161 5.388 -2.000 483 HA ARG 26 HA ARG 26 13.587 6.780 -2.261 484 HB2 ARG 26 HB2 ARG 26 12.343 5.793 0.311 485 HB3 ARG 26 HB1 ARG 26 13.485 7.117 0.140 486 HG2 ARG 26 HG2 ARG 26 10.665 7.047 -0.907 487 HG3 ARG 26 HG1 ARG 26 11.244 7.955 0.488 488 HD2 ARG 26 HD2 ARG 26 12.679 9.289 -0.961 489 HD3 ARG 26 HD1 ARG 26 12.151 8.358 -2.361 490 HE ARG 26 HE ARG 26 9.948 9.512 -0.973 491 HH11 ARG 26 HH11 ARG 26 12.520 10.264 -3.225 492 HH12 ARG 26 HH12 ARG 26 11.655 11.571 -3.966 493 HH21 ARG 26 HH21 ARG 26 8.805 11.221 -1.943 494 HH22 ARG 26 HH22 ARG 26 9.531 12.111 -3.243 495 H LEU 27 HN LEU 27 12.858 3.740 -0.590 496 HA LEU 27 HA LEU 27 15.471 3.199 0.269 497 HB2 LEU 27 HB2 LEU 27 12.993 1.603 -0.068 498 HB3 LEU 27 HB1 LEU 27 14.500 0.752 0.112 499 HG LEU 27 HG LEU 27 14.857 1.578 2.297 500 HD11 LEU 27 HD11 LEU 27 12.506 3.422 1.875 501 HD12 LEU 27 HD12 LEU 27 14.200 3.909 1.930 502 HD13 LEU 27 HD13 LEU 27 13.428 3.239 3.366 503 HD21 LEU 27 HD21 LEU 27 13.276 -0.220 2.202 504 HD22 LEU 27 HD22 LEU 27 11.953 0.909 1.910 505 HD23 LEU 27 HD23 LEU 27 12.790 0.914 3.462 506 H LYS 28 HN LYS 28 13.802 2.387 -2.726 507 HA LYS 28 HA LYS 28 15.604 0.504 -3.729 508 HB2 LYS 28 HB2 LYS 28 13.292 1.341 -4.625 509 HB3 LYS 28 HB1 LYS 28 14.258 2.506 -5.516 510 HG2 LYS 28 HG2 LYS 28 13.971 0.807 -7.047 511 HG3 LYS 28 HG1 LYS 28 15.555 0.438 -6.363 512 HD2 LYS 28 HD2 LYS 28 13.206 -0.777 -5.025 513 HD3 LYS 28 HD1 LYS 28 13.606 -1.387 -6.629 514 HE2 LYS 28 HE2 LYS 28 15.568 -1.214 -4.346 515 HE3 LYS 28 HE1 LYS 28 14.638 -2.654 -4.741 516 HZ1 LYS 28 HZ1 LYS 28 16.578 -1.295 -6.538 517 HZ2 LYS 28 HZ2 LYS 28 15.679 -2.678 -6.920 518 HZ3 LYS 28 HZ3 LYS 28 16.843 -2.744 -5.698 519 H LYS 29 HN LYS 29 15.585 4.014 -3.878 520 HA LYS 29 HA LYS 29 17.931 4.226 -5.517 521 HB2 LYS 29 HB2 LYS 29 16.064 5.918 -5.386 522 HB3 LYS 29 HB1 LYS 29 16.645 6.345 -3.785 523 HG2 LYS 29 HG2 LYS 29 17.479 7.947 -5.326 524 HG3 LYS 29 HG1 LYS 29 18.835 6.933 -4.816 525 HD2 LYS 29 HD2 LYS 29 18.673 5.646 -6.871 526 HD3 LYS 29 HD1 LYS 29 17.264 6.596 -7.374 527 HE2 LYS 29 HE2 LYS 29 20.081 7.599 -6.973 528 HE3 LYS 29 HE1 LYS 29 19.238 7.401 -8.508 529 HZ1 LYS 29 HZ1 LYS 29 17.611 9.067 -7.722 530 HZ2 LYS 29 HZ2 LYS 29 19.174 9.687 -7.875 531 HZ3 LYS 29 HZ3 LYS 29 18.564 9.318 -6.344 532 H LEU 30 HN LEU 30 17.312 3.716 -2.222 533 HA LEU 30 HA LEU 30 19.811 4.862 -1.289 534 HB2 LEU 30 HB2 LEU 30 17.578 3.464 0.163 535 HB3 LEU 30 HB1 LEU 30 19.022 4.079 0.945 536 HG LEU 30 HG LEU 30 17.116 5.822 -0.614 537 HD11 LEU 30 HD11 LEU 30 17.250 5.325 2.348 538 HD12 LEU 30 HD12 LEU 30 15.947 4.844 1.263 539 HD13 LEU 30 HD13 LEU 30 16.265 6.551 1.552 540 HD21 LEU 30 HD21 LEU 30 19.242 6.863 -0.447 541 HD22 LEU 30 HD22 LEU 30 19.418 6.385 1.240 542 HD23 LEU 30 HD23 LEU 30 18.223 7.598 0.787 543 H VAL 31 HN VAL 31 18.366 1.751 -1.962 544 HA VAL 31 HA VAL 31 20.622 0.217 -1.101 545 HB VAL 31 HB VAL 31 18.544 -0.478 -3.207 546 HG11 VAL 31 HG11 VAL 31 20.543 -1.859 -3.390 547 HG12 VAL 31 HG12 VAL 31 19.187 -2.804 -2.776 548 HG13 VAL 31 HG13 VAL 31 20.446 -2.251 -1.672 549 HG21 VAL 31 HG21 VAL 31 17.439 -1.754 -1.434 550 HG22 VAL 31 HG22 VAL 31 17.499 -0.032 -1.057 551 HG23 VAL 31 HG23 VAL 31 18.615 -1.149 -0.267 552 H GLY 32 HN GLY 32 19.790 2.144 -3.814 553 HA2 GLY 32 HA2 GLY 32 21.273 3.125 -5.300 554 HA3 GLY 32 HA1 GLY 32 22.517 1.998 -4.777 555 H GLU 33 HN GLU 33 19.400 0.804 -5.680 556 HA GLU 33 HA GLU 33 20.476 -0.062 -8.273 557 HB2 GLU 33 HB2 GLU 33 19.090 -1.836 -6.253 558 HB3 GLU 33 HB1 GLU 33 19.461 -2.303 -7.907 559 HG2 GLU 33 HG2 GLU 33 21.859 -1.968 -7.425 560 HG3 GLU 33 HG1 GLU 33 21.440 -1.612 -5.750
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