NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | position | program | type |
1265 | 1afi | cing | recoord | dress | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 HT3 ALA 1 16.408 1.379 -0.541 2 2H ALA 1 HT2 ALA 1 17.792 1.995 -1.311 3 3H ALA 1 HT1 ALA 1 17.799 1.723 0.366 4 HA ALA 1 HA ALA 1 17.537 4.056 0.087 5 1HB ALA 1 HB1 ALA 1 16.625 3.278 -2.355 6 2HB ALA 1 HB3 ALA 1 15.106 3.739 -1.584 7 3HB ALA 1 HB2 ALA 1 16.417 4.910 -1.721 8 H THR 2 HN THR 2 15.113 5.278 0.426 9 HA THR 2 HA THR 2 13.377 3.654 2.135 10 HB THR 2 HB THR 2 13.871 5.867 3.675 11 HG1 THR 2 HG1 THR 2 15.745 6.604 3.151 12 1HG2 THR 2 HG22 THR 2 13.705 3.528 4.445 13 2HG2 THR 2 HG21 THR 2 15.313 3.211 3.793 14 3HG2 THR 2 HG23 THR 2 15.112 4.332 5.139 15 H GLN 3 HN GLN 3 11.829 4.256 0.470 16 HA GLN 3 HA GLN 3 11.092 7.172 0.504 17 1HB GLN 3 HB2 GLN 3 11.250 5.130 -1.715 18 2HB GLN 3 HB1 GLN 3 10.336 6.627 -1.899 19 1HG GLN 3 HG2 GLN 3 12.907 7.239 -0.773 20 2HG GLN 3 HG1 GLN 3 13.133 6.256 -2.220 21 1HE2 GLN 3 HE22 GLN 3 12.907 9.479 -3.798 22 2HE2 GLN 3 HE21 GLN 3 14.015 8.358 -3.167 23 H THR 4 HN THR 4 8.788 7.565 -0.098 24 HA THR 4 HA THR 4 6.994 5.300 0.697 25 HB THR 4 HB THR 4 7.473 7.014 2.492 26 HG1 THR 4 HG1 THR 4 5.301 7.215 3.023 27 1HG2 THR 4 HG23 THR 4 7.674 8.946 0.937 28 2HG2 THR 4 HG22 THR 4 5.944 8.838 0.616 29 3HG2 THR 4 HG21 THR 4 6.517 9.248 2.233 30 H VAL 5 HN VAL 5 5.267 5.032 -0.666 31 HA VAL 5 HA VAL 5 4.663 7.199 -2.682 32 HB VAL 5 HB VAL 5 4.336 4.215 -3.010 33 1HG1 VAL 5 HG13 VAL 5 4.125 6.653 -4.721 34 2HG1 VAL 5 HG12 VAL 5 4.685 5.160 -5.472 35 3HG1 VAL 5 HG11 VAL 5 3.106 5.219 -4.690 36 1HG2 VAL 5 HG21 VAL 5 6.768 5.850 -3.034 37 2HG2 VAL 5 HG23 VAL 5 6.602 4.094 -3.045 38 3HG2 VAL 5 HG22 VAL 5 6.510 4.998 -4.557 39 H THR 6 HN THR 6 2.368 6.889 -3.521 40 HA THR 6 HA THR 6 0.576 6.190 -1.247 41 HB THR 6 HB THR 6 -0.956 7.582 -2.947 42 HG1 THR 6 HG1 THR 6 1.630 8.603 -3.442 43 1HG2 THR 6 HG21 THR 6 0.793 8.260 -0.724 44 2HG2 THR 6 HG23 THR 6 0.534 9.635 -1.798 45 3HG2 THR 6 HG22 THR 6 -0.846 8.817 -1.066 46 H LEU 7 HN LEU 7 -1.397 4.958 -1.948 47 HA LEU 7 HA LEU 7 -0.936 3.521 -4.525 48 1HB LEU 7 HB2 LEU 7 -0.895 2.600 -1.761 49 2HB LEU 7 HB1 LEU 7 -2.069 1.703 -2.723 50 HG LEU 7 HG LEU 7 -0.418 1.025 -4.289 51 1HD1 LEU 7 HD11 LEU 7 1.219 3.208 -3.047 52 2HD1 LEU 7 HD13 LEU 7 1.997 1.890 -3.921 53 3HD1 LEU 7 HD12 LEU 7 0.844 2.930 -4.741 54 1HD2 LEU 7 HD23 LEU 7 -0.301 -0.056 -1.982 55 2HD2 LEU 7 HD22 LEU 7 1.173 -0.179 -2.943 56 3HD2 LEU 7 HD21 LEU 7 1.061 1.015 -1.650 57 H ALA 8 HN ALA 8 -2.845 2.632 -5.457 58 HA ALA 8 HA ALA 8 -5.333 4.070 -4.596 59 1HB ALA 8 HB3 ALA 8 -4.218 3.067 -7.213 60 2HB ALA 8 HB2 ALA 8 -5.933 3.448 -7.054 61 3HB ALA 8 HB1 ALA 8 -4.722 4.702 -6.786 62 H VAL 9 HN VAL 9 -6.331 2.600 -3.202 63 HA VAL 9 HA VAL 9 -6.792 -0.185 -4.224 64 HB VAL 9 HB VAL 9 -5.600 -0.253 -2.159 65 1HG1 VAL 9 HG12 VAL 9 -7.360 2.084 -1.458 66 2HG1 VAL 9 HG11 VAL 9 -6.644 1.116 -0.169 67 3HG1 VAL 9 HG13 VAL 9 -5.607 1.937 -1.335 68 1HG2 VAL 9 HG22 VAL 9 -8.333 -1.064 -2.236 69 2HG2 VAL 9 HG21 VAL 9 -7.036 -1.732 -1.246 70 3HG2 VAL 9 HG23 VAL 9 -8.025 -0.411 -0.627 71 HA PRO 10 HA PRO 10 -10.898 1.920 -4.329 72 1HB PRO 10 HB2 PRO 10 -11.615 0.591 -6.678 73 2HB PRO 10 HB1 PRO 10 -10.888 2.200 -6.588 74 1HG PRO 10 HG2 PRO 10 -9.693 -0.306 -7.512 75 2HG PRO 10 HG1 PRO 10 -9.106 1.348 -7.714 76 1HD PRO 10 HD2 PRO 10 -8.121 -0.652 -5.892 77 2HD PRO 10 HD1 PRO 10 -7.577 1.035 -6.053 78 H GLY 11 HN GLY 11 -10.266 -0.526 -2.752 79 1HA GLY 11 HA2 GLY 11 -12.232 -2.535 -3.586 80 2HA GLY 11 HA1 GLY 11 -11.273 -2.579 -2.107 81 H MET 12 HN MET 12 -12.066 0.209 -1.426 82 HA MET 12 HA MET 12 -13.630 1.015 0.196 83 1HB MET 12 HB2 MET 12 -15.839 1.355 -1.122 84 2HB MET 12 HB1 MET 12 -14.373 2.063 -1.798 85 1HG MET 12 HG2 MET 12 -14.109 0.168 -3.313 86 2HG MET 12 HG1 MET 12 -15.498 -0.639 -2.585 87 1HE MET 12 HE2 MET 12 -14.748 0.243 -5.636 88 2HE MET 12 HE1 MET 12 -16.131 -0.792 -5.289 89 3HE MET 12 HE3 MET 12 -16.332 0.653 -6.289 90 H THR 13 HN THR 13 -13.311 -1.352 1.166 91 HA THR 13 HA THR 13 -15.738 -3.014 1.014 92 HB THR 13 HB THR 13 -14.187 -3.973 3.072 93 HG1 THR 13 HG1 THR 13 -12.072 -3.625 2.519 94 1HG2 THR 13 HG21 THR 13 -14.106 -4.394 0.092 95 2HG2 THR 13 HG23 THR 13 -13.076 -5.334 1.171 96 3HG2 THR 13 HG22 THR 13 -14.831 -5.421 1.329 97 H CYS 14 HN CYS 14 -15.318 -0.129 2.319 98 HA CYS 14 HA CYS 14 -16.497 1.028 4.003 99 1HB CYS 14 HB2 CYS 14 -17.951 -1.286 3.428 100 2HB CYS 14 HB1 CYS 14 -17.771 -1.327 5.182 101 HG CYS 14 HG CYS 14 -19.888 0.158 4.394 102 H ALA 15 HN ALA 15 -14.510 1.390 5.130 103 HA ALA 15 HA ALA 15 -13.106 1.292 7.025 104 1HB ALA 15 HB2 ALA 15 -15.722 0.078 7.786 105 2HB ALA 15 HB1 ALA 15 -14.378 -0.170 8.899 106 3HB ALA 15 HB3 ALA 15 -14.886 1.465 8.482 107 H ALA 16 HN ALA 16 -13.051 -0.863 4.877 108 HA ALA 16 HA ALA 16 -11.615 -2.928 6.514 109 1HB ALA 16 HB3 ALA 16 -13.932 -3.121 4.758 110 2HB ALA 16 HB2 ALA 16 -12.629 -4.183 4.222 111 3HB ALA 16 HB1 ALA 16 -13.269 -4.328 5.859 112 H CYS 17 HN CYS 17 -12.014 -1.396 3.324 113 HA CYS 17 HA CYS 17 -9.817 -2.495 1.941 114 1HB CYS 17 HB2 CYS 17 -11.708 -0.486 1.612 115 2HB CYS 17 HB1 CYS 17 -10.172 0.378 1.547 116 HG CYS 17 HG CYS 17 -10.028 -2.098 -0.175 117 HA PRO 18 HA PRO 18 -7.056 1.013 3.779 118 1HB PRO 18 HB2 PRO 18 -8.184 2.155 6.098 119 2HB PRO 18 HB1 PRO 18 -8.104 2.888 4.494 120 1HG PRO 18 HG2 PRO 18 -10.426 1.867 5.903 121 2HG PRO 18 HG1 PRO 18 -10.360 2.778 4.392 122 1HD PRO 18 HD2 PRO 18 -10.898 -0.030 4.738 123 2HD PRO 18 HD1 PRO 18 -10.811 0.885 3.214 124 H ILE 19 HN ILE 19 -8.701 -1.384 5.642 125 HA ILE 19 HA ILE 19 -6.711 -1.329 7.842 126 HB ILE 19 HB ILE 19 -9.110 -3.082 7.215 127 1HG1 ILE 19 HG12 ILE 19 -9.482 -0.589 7.663 128 2HG1 ILE 19 HG11 ILE 19 -10.333 -1.699 8.737 129 1HG2 ILE 19 HG22 ILE 19 -7.038 -3.147 9.308 130 2HG2 ILE 19 HG21 ILE 19 -8.691 -3.190 9.923 131 3HG2 ILE 19 HG23 ILE 19 -8.144 -4.414 8.778 132 1HD1 ILE 19 HD11 ILE 19 -7.623 -0.990 9.650 133 2HD1 ILE 19 HD13 ILE 19 -8.742 0.372 9.586 134 3HD1 ILE 19 HD12 ILE 19 -9.137 -1.047 10.554 135 H THR 20 HN THR 20 -7.859 -3.477 5.291 136 HA THR 20 HA THR 20 -5.927 -5.569 5.725 137 HB THR 20 HB THR 20 -8.030 -4.725 3.777 138 HG1 THR 20 HG1 THR 20 -8.857 -6.726 4.383 139 1HG2 THR 20 HG23 THR 20 -6.069 -6.968 3.269 140 2HG2 THR 20 HG22 THR 20 -7.535 -6.658 2.337 141 3HG2 THR 20 HG21 THR 20 -6.219 -5.484 2.328 142 H VAL 21 HN VAL 21 -6.178 -2.752 3.560 143 HA VAL 21 HA VAL 21 -3.877 -3.446 1.988 144 HB VAL 21 HB VAL 21 -5.522 -0.974 2.513 145 1HG1 VAL 21 HG11 VAL 21 -2.904 -1.212 1.057 146 2HG1 VAL 21 HG13 VAL 21 -4.128 -0.087 0.469 147 3HG1 VAL 21 HG12 VAL 21 -3.482 0.087 2.101 148 1HG2 VAL 21 HG22 VAL 21 -5.339 -3.115 0.490 149 2HG2 VAL 21 HG21 VAL 21 -6.715 -2.107 0.938 150 3HG2 VAL 21 HG23 VAL 21 -5.501 -1.493 -0.184 151 H LYS 22 HN LYS 22 -4.407 -1.212 4.713 152 HA LYS 22 HA LYS 22 -1.829 -0.152 5.015 153 1HB LYS 22 HB2 LYS 22 -4.115 0.081 6.332 154 2HB LYS 22 HB1 LYS 22 -3.364 -1.090 7.414 155 1HG LYS 22 HG2 LYS 22 -1.509 1.027 6.668 156 2HG LYS 22 HG1 LYS 22 -2.959 1.674 7.436 157 1HD LYS 22 HD2 LYS 22 -2.657 0.009 9.284 158 2HD LYS 22 HD1 LYS 22 -1.129 -0.473 8.546 159 1HE LYS 22 HE2 LYS 22 -0.605 2.119 8.641 160 2HE LYS 22 HE1 LYS 22 -1.833 2.103 9.922 161 1HZ LYS 22 HZ1 LYS 22 -0.416 -0.113 10.472 162 2HZ LYS 22 HZ3 LYS 22 0.804 0.909 9.887 163 3HZ LYS 22 HZ2 LYS 22 -0.148 1.395 11.207 164 H LYS 23 HN LYS 23 -3.055 -3.180 6.528 165 HA LYS 23 HA LYS 23 -0.479 -3.876 7.624 166 1HB LYS 23 HB2 LYS 23 -1.606 -5.949 8.200 167 2HB LYS 23 HB1 LYS 23 -2.744 -4.619 8.417 168 1HG LYS 23 HG2 LYS 23 -4.151 -5.673 7.014 169 2HG LYS 23 HG1 LYS 23 -2.984 -5.394 5.724 170 1HD LYS 23 HD2 LYS 23 -1.789 -7.497 6.484 171 2HD LYS 23 HD1 LYS 23 -3.172 -7.811 7.533 172 1HE LYS 23 HE2 LYS 23 -4.622 -8.190 5.732 173 2HE LYS 23 HE1 LYS 23 -3.620 -7.254 4.604 174 1HZ LYS 23 HZ2 LYS 23 -1.831 -8.967 5.112 175 2HZ LYS 23 HZ1 LYS 23 -3.078 -9.927 5.753 176 3HZ LYS 23 HZ3 LYS 23 -3.114 -9.473 4.120 177 H ALA 24 HN ALA 24 -1.887 -4.328 4.484 178 HA ALA 24 HA ALA 24 -0.393 -6.605 3.634 179 1HB ALA 24 HB3 ALA 24 -2.338 -4.820 2.656 180 2HB ALA 24 HB2 ALA 24 -0.987 -4.713 1.527 181 3HB ALA 24 HB1 ALA 24 -1.741 -6.273 1.854 182 H LEU 25 HN LEU 25 0.123 -3.133 2.977 183 HA LEU 25 HA LEU 25 2.713 -3.509 1.762 184 1HB LEU 25 HB2 LEU 25 1.374 -1.110 3.049 185 2HB LEU 25 HB1 LEU 25 2.717 -1.051 1.904 186 HG LEU 25 HG LEU 25 0.945 -2.629 0.557 187 1HD1 LEU 25 HD13 LEU 25 -0.549 -1.169 2.573 188 2HD1 LEU 25 HD12 LEU 25 -1.074 -0.757 0.940 189 3HD1 LEU 25 HD11 LEU 25 -1.089 -2.438 1.474 190 1HD2 LEU 25 HD22 LEU 25 2.021 0.012 0.428 191 2HD2 LEU 25 HD21 LEU 25 1.434 -0.996 -0.896 192 3HD2 LEU 25 HD23 LEU 25 0.325 0.084 -0.052 193 H SER 26 HN SER 26 1.581 -2.914 5.038 194 HA SER 26 HA SER 26 4.138 -2.183 6.177 195 1HB SER 26 HB2 SER 26 2.898 -2.158 8.152 196 2HB SER 26 HB1 SER 26 1.589 -2.048 6.978 197 HG SER 26 HG SER 26 2.512 -4.276 8.442 198 H LYS 27 HN LYS 27 2.665 -5.176 5.180 199 HA LYS 27 HA LYS 27 4.852 -6.668 6.552 200 1HB LYS 27 HB2 LYS 27 3.311 -8.564 6.549 201 2HB LYS 27 HB1 LYS 27 2.494 -7.160 7.238 202 1HG LYS 27 HG2 LYS 27 0.903 -7.982 5.722 203 2HG LYS 27 HG1 LYS 27 1.709 -6.724 4.790 204 1HD LYS 27 HD2 LYS 27 2.612 -8.196 3.338 205 2HD LYS 27 HD1 LYS 27 3.020 -9.342 4.616 206 1HE LYS 27 HE2 LYS 27 0.468 -9.822 4.728 207 2HE LYS 27 HE1 LYS 27 0.403 -9.036 3.138 208 1HZ LYS 27 HZ3 LYS 27 2.448 -11.079 3.717 209 2HZ LYS 27 HZ2 LYS 27 0.888 -11.548 3.238 210 3HZ LYS 27 HZ1 LYS 27 1.838 -10.580 2.216 211 H VAL 28 HN VAL 28 4.119 -5.378 3.642 212 HA VAL 28 HA VAL 28 4.257 -7.368 1.681 213 HB VAL 28 HB VAL 28 3.927 -4.969 1.270 214 1HG1 VAL 28 HG12 VAL 28 5.798 -4.407 3.017 215 2HG1 VAL 28 HG11 VAL 28 6.879 -4.523 1.629 216 3HG1 VAL 28 HG13 VAL 28 5.570 -3.340 1.630 217 1HG2 VAL 28 HG22 VAL 28 6.316 -6.243 -0.082 218 2HG2 VAL 28 HG21 VAL 28 4.648 -6.204 -0.654 219 3HG2 VAL 28 HG23 VAL 28 5.609 -4.724 -0.632 220 H GLU 29 HN GLU 29 7.084 -5.757 3.249 221 HA GLU 29 HA GLU 29 8.667 -8.121 3.376 222 1HB GLU 29 HB2 GLU 29 8.393 -6.825 0.770 223 2HB GLU 29 HB1 GLU 29 10.080 -6.978 1.262 224 1HG GLU 29 HG2 GLU 29 9.008 -9.428 1.971 225 2HG GLU 29 HG1 GLU 29 8.180 -9.059 0.458 226 H GLY 30 HN GLY 30 9.760 -5.039 1.962 227 1HA GLY 30 HA2 GLY 30 11.484 -4.669 4.357 228 2HA GLY 30 HA1 GLY 30 11.738 -3.903 2.790 229 H VAL 31 HN VAL 31 8.484 -3.700 3.439 230 HA VAL 31 HA VAL 31 8.258 -0.930 3.608 231 HB VAL 31 HB VAL 31 6.414 -2.595 3.399 232 1HG1 VAL 31 HG12 VAL 31 7.542 -3.735 5.628 233 2HG1 VAL 31 HG11 VAL 31 6.158 -2.890 6.323 234 3HG1 VAL 31 HG13 VAL 31 5.914 -4.083 5.047 235 1HG2 VAL 31 HG21 VAL 31 6.253 -0.116 4.344 236 2HG2 VAL 31 HG23 VAL 31 4.837 -1.164 4.335 237 3HG2 VAL 31 HG22 VAL 31 5.764 -0.950 5.818 238 H SER 32 HN SER 32 8.321 0.576 5.184 239 HA SER 32 HA SER 32 9.446 -0.245 7.828 240 1HB SER 32 HB2 SER 32 9.633 2.401 6.352 241 2HB SER 32 HB1 SER 32 10.508 1.961 7.816 242 HG SER 32 HG SER 32 11.812 1.656 5.992 243 H LYS 33 HN LYS 33 6.840 1.175 6.135 244 HA LYS 33 HA LYS 33 5.259 1.485 8.561 245 1HB LYS 33 HB2 LYS 33 6.395 3.472 8.991 246 2HB LYS 33 HB1 LYS 33 6.689 3.790 7.283 247 1HG LYS 33 HG2 LYS 33 4.375 4.430 6.945 248 2HG LYS 33 HG1 LYS 33 3.964 3.956 8.594 249 1HD LYS 33 HD2 LYS 33 6.148 5.966 8.176 250 2HD LYS 33 HD1 LYS 33 4.470 6.491 8.023 251 1HE LYS 33 HE2 LYS 33 4.760 4.823 10.372 252 2HE LYS 33 HE1 LYS 33 5.914 6.170 10.427 253 1HZ LYS 33 HZ2 LYS 33 4.012 7.606 9.657 254 2HZ LYS 33 HZ1 LYS 33 2.981 6.304 10.017 255 3HZ LYS 33 HZ3 LYS 33 3.891 7.028 11.250 256 H VAL 34 HN VAL 34 3.050 2.445 7.961 257 HA VAL 34 HA VAL 34 2.420 2.546 5.083 258 HB VAL 34 HB VAL 34 2.563 0.131 5.691 259 1HG1 VAL 34 HG12 VAL 34 0.808 1.109 7.868 260 2HG1 VAL 34 HG11 VAL 34 0.322 -0.421 7.141 261 3HG1 VAL 34 HG13 VAL 34 1.927 -0.253 7.849 262 1HG2 VAL 34 HG22 VAL 34 0.933 1.075 3.975 263 2HG2 VAL 34 HG21 VAL 34 0.486 -0.488 4.654 264 3HG2 VAL 34 HG23 VAL 34 -0.308 0.980 5.224 265 H ASP 35 HN ASP 35 0.004 2.988 4.780 266 HA ASP 35 HA ASP 35 -1.570 3.774 7.110 267 1HB ASP 35 HB2 ASP 35 0.221 5.660 5.702 268 2HB ASP 35 HB1 ASP 35 -1.422 6.253 5.948 269 H VAL 36 HN VAL 36 -3.540 5.201 6.201 270 HA VAL 36 HA VAL 36 -4.162 4.520 3.383 271 HB VAL 36 HB VAL 36 -6.362 3.511 4.293 272 1HG1 VAL 36 HG11 VAL 36 -4.459 2.237 3.265 273 2HG1 VAL 36 HG13 VAL 36 -3.770 2.050 4.878 274 3HG1 VAL 36 HG12 VAL 36 -5.329 1.319 4.495 275 1HG2 VAL 36 HG21 VAL 36 -5.762 4.420 6.651 276 2HG2 VAL 36 HG23 VAL 36 -6.410 2.783 6.543 277 3HG2 VAL 36 HG22 VAL 36 -4.677 3.033 6.752 278 H GLY 37 HN GLY 37 -6.252 5.516 2.699 279 1HA GLY 37 HA2 GLY 37 -7.310 7.657 4.424 280 2HA GLY 37 HA1 GLY 37 -6.523 8.186 2.937 281 H PHE 38 HN PHE 38 -9.435 7.037 4.282 282 HA PHE 38 HA PHE 38 -10.581 5.795 1.943 283 1HB PHE 38 HB2 PHE 38 -11.267 6.444 4.654 284 2HB PHE 38 HB1 PHE 38 -12.582 6.964 3.596 285 HD1 PHE 38 HD1 PHE 38 -12.319 5.022 1.376 286 HD2 PHE 38 HD2 PHE 38 -12.096 4.438 5.622 287 HE1 PHE 38 HE1 PHE 38 -13.021 2.661 1.082 288 HE2 PHE 38 HE2 PHE 38 -12.799 2.079 5.332 289 HZ PHE 38 HZ PHE 38 -13.276 1.191 3.068 290 H GLU 39 HN GLU 39 -9.774 9.032 2.569 291 HA GLU 39 HA GLU 39 -11.947 10.455 1.386 292 1HB GLU 39 HB2 GLU 39 -9.834 11.252 2.655 293 2HB GLU 39 HB1 GLU 39 -9.020 11.152 1.093 294 1HG GLU 39 HG2 GLU 39 -11.552 12.507 0.793 295 2HG GLU 39 HG1 GLU 39 -10.600 13.287 2.057 296 H LYS 40 HN LYS 40 -9.434 8.462 0.022 297 HA LYS 40 HA LYS 40 -10.650 8.768 -2.657 298 1HB LYS 40 HB2 LYS 40 -8.405 10.232 -1.858 299 2HB LYS 40 HB1 LYS 40 -7.745 8.897 -2.803 300 1HG LYS 40 HG2 LYS 40 -9.154 9.444 -4.690 301 2HG LYS 40 HG1 LYS 40 -10.035 10.644 -3.744 302 1HD LYS 40 HD2 LYS 40 -7.537 11.594 -3.412 303 2HD LYS 40 HD1 LYS 40 -7.337 10.821 -4.985 304 1HE LYS 40 HE2 LYS 40 -9.811 12.437 -4.677 305 2HE LYS 40 HE1 LYS 40 -8.290 13.350 -4.710 306 1HZ LYS 40 HZ2 LYS 40 -7.661 11.887 -6.647 307 2HZ LYS 40 HZ1 LYS 40 -9.288 11.402 -6.707 308 3HZ LYS 40 HZ3 LYS 40 -8.880 13.030 -6.954 309 H ARG 41 HN ARG 41 -10.391 6.624 -0.606 310 HA ARG 41 HA ARG 41 -9.689 4.356 -0.445 311 1HB ARG 41 HB2 ARG 41 -10.873 5.080 -3.013 312 2HB ARG 41 HB1 ARG 41 -9.848 3.650 -3.145 313 1HG ARG 41 HG2 ARG 41 -12.042 2.867 -2.571 314 2HG ARG 41 HG1 ARG 41 -11.063 2.731 -1.110 315 1HD ARG 41 HD2 ARG 41 -13.191 3.750 -0.498 316 2HD ARG 41 HD1 ARG 41 -11.947 5.012 -0.425 317 HE ARG 41 HE ARG 41 -12.861 5.058 -3.063 318 1HH1 ARG 41 HH21 ARG 41 -14.222 5.353 0.098 319 2HH1 ARG 41 HH22 ARG 41 -15.497 6.409 -0.408 320 1HH2 ARG 41 HH11 ARG 41 -14.521 6.438 -3.734 321 2HH2 ARG 41 HH12 ARG 41 -15.667 7.022 -2.574 322 H GLU 42 HN GLU 42 -7.372 5.673 -0.235 323 HA GLU 42 HA GLU 42 -5.547 4.228 -2.125 324 1HB GLU 42 HB2 GLU 42 -4.213 6.304 -2.271 325 2HB GLU 42 HB1 GLU 42 -5.866 6.586 -2.819 326 1HG GLU 42 HG2 GLU 42 -6.410 7.862 -0.974 327 2HG GLU 42 HG1 GLU 42 -5.276 7.014 0.077 328 H ALA 43 HN ALA 43 -3.521 3.606 -1.154 329 HA ALA 43 HA ALA 43 -3.429 3.998 1.822 330 1HB ALA 43 HB1 ALA 43 -2.643 1.681 0.030 331 2HB ALA 43 HB3 ALA 43 -2.227 1.755 1.743 332 3HB ALA 43 HB2 ALA 43 -3.919 1.706 1.248 333 H VAL 44 HN VAL 44 -1.555 4.973 2.589 334 HA VAL 44 HA VAL 44 0.605 5.460 0.573 335 HB VAL 44 HB VAL 44 -0.666 7.354 1.682 336 1HG1 VAL 44 HG12 VAL 44 -0.457 5.898 3.943 337 2HG1 VAL 44 HG11 VAL 44 0.953 6.940 4.144 338 3HG1 VAL 44 HG13 VAL 44 -0.650 7.651 3.959 339 1HG2 VAL 44 HG22 VAL 44 1.831 7.332 0.841 340 2HG2 VAL 44 HG21 VAL 44 1.239 8.707 1.774 341 3HG2 VAL 44 HG23 VAL 44 2.207 7.460 2.559 342 H VAL 45 HN VAL 45 2.561 4.494 0.908 343 HA VAL 45 HA VAL 45 3.108 3.399 3.640 344 HB VAL 45 HB VAL 45 2.202 1.830 1.824 345 1HG1 VAL 45 HG12 VAL 45 3.688 2.845 0.040 346 2HG1 VAL 45 HG11 VAL 45 5.048 2.036 0.818 347 3HG1 VAL 45 HG13 VAL 45 3.733 1.084 0.129 348 1HG2 VAL 45 HG23 VAL 45 4.743 1.413 3.384 349 2HG2 VAL 45 HG22 VAL 45 3.133 0.770 3.706 350 3HG2 VAL 45 HG21 VAL 45 4.095 0.118 2.379 351 H THR 46 HN THR 46 5.210 3.325 4.291 352 HA THR 46 HA THR 46 7.261 4.728 2.609 353 HB THR 46 HB THR 46 6.644 4.471 5.556 354 HG1 THR 46 HG1 THR 46 7.098 6.746 5.377 355 1HG2 THR 46 HG23 THR 46 9.307 4.500 4.328 356 2HG2 THR 46 HG22 THR 46 9.059 5.805 5.488 357 3HG2 THR 46 HG21 THR 46 8.837 4.128 5.986 358 H PHE 47 HN PHE 47 9.409 3.601 2.590 359 HA PHE 47 HA PHE 47 9.687 1.060 3.952 360 1HB PHE 47 HB2 PHE 47 9.406 -0.377 1.987 361 2HB PHE 47 HB1 PHE 47 7.934 0.554 2.269 362 HD1 PHE 47 HD2 PHE 47 11.049 0.401 0.200 363 HD2 PHE 47 HD1 PHE 47 7.145 2.143 0.688 364 HE1 PHE 47 HE2 PHE 47 11.203 1.381 -2.065 365 HE2 PHE 47 HE1 PHE 47 7.302 3.119 -1.585 366 HZ PHE 47 HZ PHE 47 9.324 2.738 -2.962 367 H ASP 48 HN ASP 48 11.431 -0.298 2.685 368 HA ASP 48 HA ASP 48 13.634 1.605 2.023 369 1HB ASP 48 HB2 ASP 48 13.633 -1.284 2.974 370 2HB ASP 48 HB1 ASP 48 15.075 -0.299 2.727 371 H ASP 49 HN ASP 49 13.861 1.748 -0.175 372 HA ASP 49 HA ASP 49 12.692 -0.065 -2.033 373 1HB ASP 49 HB2 ASP 49 13.203 2.187 -2.653 374 2HB ASP 49 HB1 ASP 49 14.894 2.000 -2.187 375 H THR 50 HN THR 50 15.460 -0.472 -0.106 376 HA THR 50 HA THR 50 17.103 -2.008 -1.935 377 HB THR 50 HB THR 50 17.999 -0.889 0.041 378 HG1 THR 50 HG1 THR 50 18.048 -3.649 0.624 379 1HG2 THR 50 HG21 THR 50 15.664 -2.047 1.266 380 2HG2 THR 50 HG23 THR 50 17.102 -2.529 2.166 381 3HG2 THR 50 HG22 THR 50 16.755 -0.819 1.909 382 H LYS 51 HN LYS 51 14.317 -2.733 0.043 383 HA LYS 51 HA LYS 51 14.613 -5.629 -0.672 384 1HB LYS 51 HB2 LYS 51 13.947 -4.209 1.882 385 2HB LYS 51 HB1 LYS 51 13.234 -5.796 1.590 386 1HG LYS 51 HG2 LYS 51 16.176 -5.411 1.141 387 2HG LYS 51 HG1 LYS 51 15.575 -5.612 2.787 388 1HD LYS 51 HD2 LYS 51 14.539 -7.731 2.208 389 2HD LYS 51 HD1 LYS 51 14.957 -7.512 0.509 390 1HE LYS 51 HE2 LYS 51 16.623 -8.994 1.429 391 2HE LYS 51 HE1 LYS 51 17.408 -7.411 1.275 392 1HZ LYS 51 HZ1 LYS 51 16.021 -7.442 3.700 393 2HZ LYS 51 HZ3 LYS 51 16.913 -8.883 3.623 394 3HZ LYS 51 HZ2 LYS 51 17.702 -7.388 3.462 395 H ALA 52 HN ALA 52 12.725 -2.844 -0.961 396 HA ALA 52 HA ALA 52 10.485 -4.408 -2.092 397 1HB ALA 52 HB1 ALA 52 10.529 -3.272 0.557 398 2HB ALA 52 HB3 ALA 52 9.297 -2.461 -0.409 399 3HB ALA 52 HB2 ALA 52 9.252 -4.213 -0.212 400 H SER 53 HN SER 53 8.660 -2.415 -2.453 401 HA SER 53 HA SER 53 9.528 0.172 -3.165 402 1HB SER 53 HB2 SER 53 10.925 -0.261 -4.895 403 2HB SER 53 HB1 SER 53 10.524 -1.974 -4.843 404 HG SER 53 HG SER 53 9.955 -0.675 -6.807 405 H VAL 54 HN VAL 54 8.008 1.129 -4.911 406 HA VAL 54 HA VAL 54 5.339 0.901 -4.315 407 HB VAL 54 HB VAL 54 6.900 1.529 -6.796 408 1HG1 VAL 54 HG13 VAL 54 3.907 1.183 -6.627 409 2HG1 VAL 54 HG12 VAL 54 4.625 2.340 -7.747 410 3HG1 VAL 54 HG11 VAL 54 5.008 0.624 -7.885 411 1HG2 VAL 54 HG23 VAL 54 5.014 3.058 -4.981 412 2HG2 VAL 54 HG22 VAL 54 6.774 3.173 -5.001 413 3HG2 VAL 54 HG21 VAL 54 5.836 3.752 -6.378 414 H GLN 55 HN GLN 55 7.013 -1.062 -6.811 415 HA GLN 55 HA GLN 55 4.878 -2.579 -7.779 416 1HB GLN 55 HB2 GLN 55 7.357 -2.575 -8.393 417 2HB GLN 55 HB1 GLN 55 7.603 -3.675 -7.036 418 1HG GLN 55 HG2 GLN 55 5.460 -4.813 -8.364 419 2HG GLN 55 HG1 GLN 55 6.464 -4.210 -9.683 420 1HE2 GLN 55 HE22 GLN 55 9.326 -6.239 -8.559 421 2HE2 GLN 55 HE21 GLN 55 9.021 -4.626 -8.992 422 H LYS 56 HN LYS 56 6.863 -3.297 -4.891 423 HA LYS 56 HA LYS 56 5.305 -5.615 -4.129 424 1HB LYS 56 HB2 LYS 56 7.330 -3.842 -2.733 425 2HB LYS 56 HB1 LYS 56 6.702 -5.334 -2.033 426 1HG LYS 56 HG2 LYS 56 7.909 -5.313 -4.795 427 2HG LYS 56 HG1 LYS 56 8.926 -5.467 -3.361 428 1HD LYS 56 HD2 LYS 56 7.101 -7.316 -2.731 429 2HD LYS 56 HD1 LYS 56 6.931 -7.383 -4.485 430 1HE LYS 56 HE2 LYS 56 9.582 -7.630 -3.018 431 2HE LYS 56 HE1 LYS 56 8.649 -8.998 -3.653 432 1HZ LYS 56 HZ3 LYS 56 9.045 -6.774 -5.477 433 2HZ LYS 56 HZ2 LYS 56 10.443 -7.663 -5.103 434 3HZ LYS 56 HZ1 LYS 56 9.092 -8.443 -5.777 435 H LEU 57 HN LEU 57 5.034 -2.156 -3.408 436 HA LEU 57 HA LEU 57 3.381 -2.440 -1.053 437 1HB LEU 57 HB2 LEU 57 3.474 -0.231 -3.136 438 2HB LEU 57 HB1 LEU 57 2.923 -0.072 -1.470 439 HG LEU 57 HG LEU 57 5.743 -0.773 -2.341 440 1HD1 LEU 57 HD11 LEU 57 4.303 1.723 -1.795 441 2HD1 LEU 57 HD13 LEU 57 5.774 1.548 -0.838 442 3HD1 LEU 57 HD12 LEU 57 5.853 1.474 -2.599 443 1HD2 LEU 57 HD21 LEU 57 4.364 -1.260 0.116 444 2HD2 LEU 57 HD23 LEU 57 6.079 -1.489 -0.225 445 3HD2 LEU 57 HD22 LEU 57 5.503 0.057 0.398 446 H THR 58 HN THR 58 2.533 -1.565 -4.414 447 HA THR 58 HA THR 58 -0.281 -1.817 -4.169 448 HB THR 58 HB THR 58 1.688 -2.184 -6.445 449 HG1 THR 58 HG1 THR 58 1.577 -0.106 -5.725 450 1HG2 THR 58 HG21 THR 58 -1.003 -3.032 -6.394 451 2HG2 THR 58 HG23 THR 58 -0.983 -1.523 -7.307 452 3HG2 THR 58 HG22 THR 58 0.040 -2.870 -7.807 453 H LYS 59 HN LYS 59 2.266 -4.225 -4.603 454 HA LYS 59 HA LYS 59 0.508 -6.384 -5.333 455 1HB LYS 59 HB2 LYS 59 2.998 -6.153 -5.774 456 2HB LYS 59 HB1 LYS 59 3.255 -6.485 -4.061 457 1HG LYS 59 HG2 LYS 59 2.171 -8.658 -4.275 458 2HG LYS 59 HG1 LYS 59 1.766 -8.324 -5.958 459 1HD LYS 59 HD2 LYS 59 4.150 -8.217 -6.535 460 2HD LYS 59 HD1 LYS 59 4.586 -8.492 -4.848 461 1HE LYS 59 HE2 LYS 59 3.909 -10.732 -4.900 462 2HE LYS 59 HE1 LYS 59 2.795 -10.464 -6.255 463 1HZ LYS 59 HZ2 LYS 59 4.816 -9.846 -7.586 464 2HZ LYS 59 HZ1 LYS 59 5.761 -10.473 -6.321 465 3HZ LYS 59 HZ3 LYS 59 4.702 -11.489 -7.171 466 H ALA 60 HN ALA 60 1.662 -5.005 -2.315 467 HA ALA 60 HA ALA 60 0.903 -7.196 -0.625 468 1HB ALA 60 HB3 ALA 60 2.199 -4.698 -0.449 469 2HB ALA 60 HB2 ALA 60 0.814 -4.591 0.637 470 3HB ALA 60 HB1 ALA 60 2.004 -5.876 0.849 471 H THR 61 HN THR 61 -0.667 -4.057 -1.381 472 HA THR 61 HA THR 61 -3.100 -4.715 0.053 473 HB THR 61 HB THR 61 -2.550 -2.403 -0.359 474 HG1 THR 61 HG1 THR 61 -4.343 -1.952 -2.028 475 1HG2 THR 61 HG23 THR 61 -1.634 -3.454 -2.863 476 2HG2 THR 61 HG22 THR 61 -2.773 -2.147 -3.183 477 3HG2 THR 61 HG21 THR 61 -1.353 -1.855 -2.178 478 H ALA 62 HN ALA 62 -1.784 -5.284 -3.073 479 HA ALA 62 HA ALA 62 -4.185 -5.999 -4.486 480 1HB ALA 62 HB2 ALA 62 -1.239 -6.614 -4.761 481 2HB ALA 62 HB1 ALA 62 -2.419 -7.242 -5.909 482 3HB ALA 62 HB3 ALA 62 -2.208 -5.501 -5.725 483 H ASP 63 HN ASP 63 -1.887 -7.770 -2.453 484 HA ASP 63 HA ASP 63 -3.292 -10.333 -2.870 485 1HB ASP 63 HB2 ASP 63 -0.714 -9.455 -2.142 486 2HB ASP 63 HB1 ASP 63 -1.371 -10.206 -0.687 487 H ALA 64 HN ALA 64 -3.619 -7.567 -0.942 488 HA ALA 64 HA ALA 64 -4.615 -8.828 1.491 489 1HB ALA 64 HB2 ALA 64 -3.672 -6.361 0.722 490 2HB ALA 64 HB1 ALA 64 -5.410 -6.067 0.773 491 3HB ALA 64 HB3 ALA 64 -4.571 -6.648 2.212 492 H GLY 65 HN GLY 65 -5.863 -7.706 -1.582 493 1HA GLY 65 HA2 GLY 65 -7.987 -9.099 -2.140 494 2HA GLY 65 HA1 GLY 65 -8.631 -8.343 -0.687 495 H TYR 66 HN TYR 66 -6.531 -6.467 -2.803 496 HA TYR 66 HA TYR 66 -8.923 -5.182 -4.034 497 1HB TYR 66 HB2 TYR 66 -6.756 -3.715 -2.522 498 2HB TYR 66 HB1 TYR 66 -8.221 -3.018 -3.210 499 HD1 TYR 66 HD1 TYR 66 -10.448 -4.300 -2.427 500 HD2 TYR 66 HD2 TYR 66 -6.730 -4.136 -0.317 501 HE1 TYR 66 HE1 TYR 66 -11.640 -4.744 -0.313 502 HE2 TYR 66 HE2 TYR 66 -7.903 -4.558 1.803 503 HH TYR 66 HH TYR 66 -11.302 -5.448 1.878 504 HA PRO 67 HA PRO 67 -5.857 -5.223 -7.369 505 1HB PRO 67 HB2 PRO 67 -7.750 -3.892 -9.047 506 2HB PRO 67 HB1 PRO 67 -7.377 -5.619 -9.035 507 1HG PRO 67 HG2 PRO 67 -9.772 -4.291 -8.091 508 2HG PRO 67 HG1 PRO 67 -9.449 -6.023 -8.213 509 1HD PRO 67 HD2 PRO 67 -9.583 -4.439 -5.822 510 2HD PRO 67 HD1 PRO 67 -9.167 -6.165 -5.954 511 H SER 68 HN SER 68 -4.522 -3.565 -6.376 512 HA SER 68 HA SER 68 -5.538 -0.772 -6.600 513 1HB SER 68 HB2 SER 68 -4.886 -0.895 -4.436 514 2HB SER 68 HB1 SER 68 -3.955 -2.361 -4.723 515 HG SER 68 HG SER 68 -2.265 -1.096 -5.474 516 H SER 69 HN SER 69 -3.404 0.751 -6.586 517 HA SER 69 HA SER 69 -1.439 -0.074 -8.642 518 1HB SER 69 HB2 SER 69 -3.807 1.568 -9.044 519 2HB SER 69 HB1 SER 69 -2.344 2.486 -9.389 520 HG SER 69 HG SER 69 -2.240 1.398 -11.172 521 H VAL 70 HN VAL 70 -0.353 2.500 -8.995 522 HA VAL 70 HA VAL 70 0.161 3.433 -6.221 523 HB VAL 70 HB VAL 70 1.662 1.600 -7.200 524 1HG1 VAL 70 HG11 VAL 70 1.826 3.355 -9.316 525 2HG1 VAL 70 HG13 VAL 70 3.333 3.675 -8.458 526 3HG1 VAL 70 HG12 VAL 70 2.963 2.042 -9.011 527 1HG2 VAL 70 HG21 VAL 70 2.196 3.887 -5.561 528 2HG2 VAL 70 HG23 VAL 70 2.949 2.295 -5.479 529 3HG2 VAL 70 HG22 VAL 70 3.641 3.547 -6.511 530 H LYS 71 HN LYS 71 1.187 5.560 -6.096 531 HA LYS 71 HA LYS 71 0.713 7.162 -8.590 532 1HB LYS 71 HB2 LYS 71 0.738 8.336 -5.833 533 2HB LYS 71 HB1 LYS 71 -0.166 8.867 -7.247 534 1HG LYS 71 HG2 LYS 71 -1.086 6.267 -6.760 535 2HG LYS 71 HG1 LYS 71 -0.953 7.005 -5.162 536 1HD LYS 71 HD2 LYS 71 -2.126 8.690 -7.303 537 2HD LYS 71 HD1 LYS 71 -3.107 7.331 -6.754 538 1HE LYS 71 HE2 LYS 71 -2.712 8.136 -4.372 539 2HE LYS 71 HE1 LYS 71 -2.012 9.608 -5.073 540 1HZ LYS 71 HZ2 LYS 71 -4.533 8.704 -6.210 541 2HZ LYS 71 HZ1 LYS 71 -4.616 9.329 -4.632 542 3HZ LYS 71 HZ3 LYS 71 -3.992 10.282 -5.888 543 H GLN 72 HN GLN 72 3.096 5.790 -7.332 544 HA GLN 72 HA GLN 72 5.440 6.189 -7.204 545 1HB GLN 72 HB2 GLN 72 4.223 8.104 -9.122 546 2HB GLN 72 HB1 GLN 72 5.862 8.483 -8.595 547 1HG GLN 72 HG2 GLN 72 6.384 5.998 -9.115 548 2HG GLN 72 HG1 GLN 72 4.875 6.023 -10.030 549 1HE2 GLN 72 HE22 GLN 72 7.728 7.053 -12.275 550 2HE2 GLN 72 HE21 GLN 72 7.448 5.689 -11.304 No H/Q in entry = 550 Start of MODEL 2 1 1H ALA 1 HT2 ALA 1 18.182 3.986 1.683 2 2H ALA 1 HT1 ALA 1 18.976 3.599 0.231 3 3H ALA 1 HT3 ALA 1 17.930 4.933 0.294 4 HA ALA 1 HA ALA 1 16.613 3.338 -0.737 5 1HB ALA 1 HB3 ALA 1 18.416 1.653 0.877 6 2HB ALA 1 HB2 ALA 1 16.788 1.001 0.693 7 3HB ALA 1 HB1 ALA 1 17.758 1.368 -0.734 8 H THR 2 HN THR 2 15.325 5.009 0.579 9 HA THR 2 HA THR 2 13.526 3.625 2.433 10 HB THR 2 HB THR 2 13.935 6.036 3.658 11 HG1 THR 2 HG1 THR 2 16.459 5.051 2.851 12 1HG2 THR 2 HG22 THR 2 15.390 3.439 4.190 13 2HG2 THR 2 HG21 THR 2 15.184 4.746 5.356 14 3HG2 THR 2 HG23 THR 2 13.778 3.856 4.772 15 H GLN 3 HN GLN 3 12.057 3.962 0.618 16 HA GLN 3 HA GLN 3 11.404 6.851 0.106 17 1HB GLN 3 HB2 GLN 3 10.968 4.432 -1.666 18 2HB GLN 3 HB1 GLN 3 10.781 6.125 -2.127 19 1HG GLN 3 HG2 GLN 3 13.403 5.536 -0.951 20 2HG GLN 3 HG1 GLN 3 13.091 4.639 -2.437 21 1HE2 GLN 3 HE22 GLN 3 13.689 7.457 -4.441 22 2HE2 GLN 3 HE21 GLN 3 13.660 5.767 -4.294 23 H THR 4 HN THR 4 9.150 7.336 -0.360 24 HA THR 4 HA THR 4 7.184 5.378 0.759 25 HB THR 4 HB THR 4 7.704 6.944 2.517 26 HG1 THR 4 HG1 THR 4 5.431 8.054 1.269 27 1HG2 THR 4 HG21 THR 4 8.834 8.619 1.105 28 2HG2 THR 4 HG23 THR 4 7.276 9.114 0.443 29 3HG2 THR 4 HG22 THR 4 7.634 9.380 2.150 30 H VAL 5 HN VAL 5 5.395 5.194 -0.536 31 HA VAL 5 HA VAL 5 4.813 7.356 -2.553 32 HB VAL 5 HB VAL 5 5.906 5.735 -3.800 33 1HG1 VAL 5 HG11 VAL 5 4.538 3.691 -2.042 34 2HG1 VAL 5 HG13 VAL 5 5.443 3.261 -3.493 35 3HG1 VAL 5 HG12 VAL 5 6.266 4.033 -2.138 36 1HG2 VAL 5 HG23 VAL 5 3.620 6.203 -4.669 37 2HG2 VAL 5 HG22 VAL 5 4.236 4.624 -5.133 38 3HG2 VAL 5 HG21 VAL 5 3.051 4.756 -3.835 39 H THR 6 HN THR 6 2.603 7.057 -3.420 40 HA THR 6 HA THR 6 0.765 6.181 -1.241 41 HB THR 6 HB THR 6 -0.735 7.688 -2.883 42 HG1 THR 6 HG1 THR 6 1.692 9.020 -3.151 43 1HG2 THR 6 HG21 THR 6 -0.227 8.150 -0.507 44 2HG2 THR 6 HG23 THR 6 1.333 8.819 -0.986 45 3HG2 THR 6 HG22 THR 6 -0.159 9.618 -1.483 46 H LEU 7 HN LEU 7 -1.165 4.971 -2.006 47 HA LEU 7 HA LEU 7 -0.733 3.708 -4.678 48 1HB LEU 7 HB2 LEU 7 -0.662 2.642 -1.958 49 2HB LEU 7 HB1 LEU 7 -1.807 1.773 -2.976 50 HG LEU 7 HG LEU 7 -0.147 1.153 -4.517 51 1HD1 LEU 7 HD13 LEU 7 1.491 3.357 -3.300 52 2HD1 LEU 7 HD12 LEU 7 2.218 2.099 -4.299 53 3HD1 LEU 7 HD11 LEU 7 0.993 3.160 -4.974 54 1HD2 LEU 7 HD22 LEU 7 1.169 1.200 -1.789 55 2HD2 LEU 7 HD21 LEU 7 0.148 -0.090 -2.427 56 3HD2 LEU 7 HD23 LEU 7 1.726 0.226 -3.147 57 H ALA 8 HN ALA 8 -2.668 2.848 -5.626 58 HA ALA 8 HA ALA 8 -5.152 4.225 -4.647 59 1HB ALA 8 HB2 ALA 8 -3.815 3.885 -7.188 60 2HB ALA 8 HB1 ALA 8 -5.455 3.246 -7.285 61 3HB ALA 8 HB3 ALA 8 -5.189 4.919 -6.797 62 H VAL 9 HN VAL 9 -6.415 2.788 -3.501 63 HA VAL 9 HA VAL 9 -6.701 0.003 -4.586 64 HB VAL 9 HB VAL 9 -5.515 -0.141 -2.532 65 1HG1 VAL 9 HG13 VAL 9 -7.179 2.230 -1.824 66 2HG1 VAL 9 HG12 VAL 9 -6.709 1.164 -0.501 67 3HG1 VAL 9 HG11 VAL 9 -5.472 1.920 -1.505 68 1HG2 VAL 9 HG21 VAL 9 -8.223 -0.992 -2.628 69 2HG2 VAL 9 HG23 VAL 9 -6.921 -1.660 -1.646 70 3HG2 VAL 9 HG22 VAL 9 -7.942 -0.378 -1.000 71 HA PRO 10 HA PRO 10 -10.864 1.981 -4.625 72 1HB PRO 10 HB2 PRO 10 -11.486 0.721 -7.054 73 2HB PRO 10 HB1 PRO 10 -10.884 2.371 -6.864 74 1HG PRO 10 HG2 PRO 10 -9.511 0.061 -7.970 75 2HG PRO 10 HG1 PRO 10 -8.991 1.749 -7.948 76 1HD PRO 10 HD2 PRO 10 -8.034 -0.438 -6.298 77 2HD PRO 10 HD1 PRO 10 -7.465 1.250 -6.326 78 H GLY 11 HN GLY 11 -10.634 -0.113 -2.871 79 1HA GLY 11 HA2 GLY 11 -12.386 -2.282 -3.933 80 2HA GLY 11 HA1 GLY 11 -11.378 -2.418 -2.490 81 H MET 12 HN MET 12 -12.172 0.333 -1.655 82 HA MET 12 HA MET 12 -13.650 1.000 0.108 83 1HB MET 12 HB2 MET 12 -15.632 1.880 -0.992 84 2HB MET 12 HB1 MET 12 -14.269 2.020 -2.098 85 1HG MET 12 HG2 MET 12 -15.031 -0.243 -3.059 86 2HG MET 12 HG1 MET 12 -16.529 0.015 -2.170 87 1HE MET 12 HE3 MET 12 -17.269 2.327 -1.897 88 2HE MET 12 HE2 MET 12 -16.788 3.689 -2.904 89 3HE MET 12 HE1 MET 12 -18.250 2.786 -3.296 90 H THR 13 HN THR 13 -13.394 -1.453 0.869 91 HA THR 13 HA THR 13 -15.903 -2.992 0.691 92 HB THR 13 HB THR 13 -14.334 -4.228 2.553 93 HG1 THR 13 HG1 THR 13 -12.214 -3.785 1.164 94 1HG2 THR 13 HG22 THR 13 -14.551 -4.313 -0.411 95 2HG2 THR 13 HG21 THR 13 -13.216 -5.208 0.313 96 3HG2 THR 13 HG23 THR 13 -14.877 -5.575 0.777 97 H CYS 14 HN CYS 14 -15.341 -0.241 2.164 98 HA CYS 14 HA CYS 14 -16.380 0.832 3.985 99 1HB CYS 14 HB2 CYS 14 -18.093 -1.059 3.271 100 2HB CYS 14 HB1 CYS 14 -17.584 -1.801 4.787 101 HG CYS 14 HG CYS 14 -18.235 0.668 5.858 102 H ALA 15 HN ALA 15 -14.351 1.097 5.073 103 HA ALA 15 HA ALA 15 -12.874 0.830 6.899 104 1HB ALA 15 HB1 ALA 15 -15.412 0.445 7.763 105 2HB ALA 15 HB3 ALA 15 -14.724 -1.130 8.157 106 3HB ALA 15 HB2 ALA 15 -14.014 0.336 8.834 107 H ALA 16 HN ALA 16 -13.215 -1.321 4.608 108 HA ALA 16 HA ALA 16 -11.655 -3.473 6.014 109 1HB ALA 16 HB3 ALA 16 -13.964 -3.448 4.231 110 2HB ALA 16 HB2 ALA 16 -12.672 -4.470 3.602 111 3HB ALA 16 HB1 ALA 16 -13.330 -4.772 5.210 112 H CYS 17 HN CYS 17 -12.073 -1.708 2.945 113 HA CYS 17 HA CYS 17 -9.872 -2.650 1.481 114 1HB CYS 17 HB2 CYS 17 -11.779 -0.652 1.317 115 2HB CYS 17 HB1 CYS 17 -10.266 0.252 1.362 116 HG CYS 17 HG CYS 17 -9.643 -1.732 -0.604 117 HA PRO 18 HA PRO 18 -7.102 0.699 3.599 118 1HB PRO 18 HB2 PRO 18 -8.236 1.603 6.025 119 2HB PRO 18 HB1 PRO 18 -8.129 2.497 4.505 120 1HG PRO 18 HG2 PRO 18 -10.479 1.407 5.782 121 2HG PRO 18 HG1 PRO 18 -10.375 2.389 4.319 122 1HD PRO 18 HD2 PRO 18 -10.912 -0.450 4.532 123 2HD PRO 18 HD1 PRO 18 -10.879 0.560 3.068 124 H ILE 19 HN ILE 19 -8.734 -1.829 5.314 125 HA ILE 19 HA ILE 19 -6.696 -1.945 7.470 126 HB ILE 19 HB ILE 19 -9.243 -3.412 6.759 127 1HG1 ILE 19 HG12 ILE 19 -9.498 -1.245 7.858 128 2HG1 ILE 19 HG11 ILE 19 -9.923 -2.526 8.993 129 1HG2 ILE 19 HG21 ILE 19 -7.565 -5.037 7.643 130 2HG2 ILE 19 HG23 ILE 19 -7.390 -4.029 9.080 131 3HG2 ILE 19 HG22 ILE 19 -8.932 -4.811 8.734 132 1HD1 ILE 19 HD13 ILE 19 -7.184 -2.218 9.359 133 2HD1 ILE 19 HD12 ILE 19 -7.760 -0.566 9.138 134 3HD1 ILE 19 HD11 ILE 19 -8.444 -1.576 10.412 135 H THR 20 HN THR 20 -7.837 -3.792 4.702 136 HA THR 20 HA THR 20 -5.956 -5.966 4.957 137 HB THR 20 HB THR 20 -7.973 -4.871 3.034 138 HG1 THR 20 HG1 THR 20 -8.120 -6.499 4.924 139 1HG2 THR 20 HG23 THR 20 -5.986 -7.055 2.396 140 2HG2 THR 20 HG22 THR 20 -7.451 -6.737 1.468 141 3HG2 THR 20 HG21 THR 20 -6.177 -5.520 1.551 142 H VAL 21 HN VAL 21 -6.144 -2.957 3.046 143 HA VAL 21 HA VAL 21 -3.765 -3.466 1.528 144 HB VAL 21 HB VAL 21 -5.221 -0.916 2.291 145 1HG1 VAL 21 HG12 VAL 21 -2.973 -1.519 0.399 146 2HG1 VAL 21 HG11 VAL 21 -4.135 -0.262 -0.023 147 3HG1 VAL 21 HG13 VAL 21 -3.192 -0.131 1.461 148 1HG2 VAL 21 HG23 VAL 21 -6.541 -2.702 1.078 149 2HG2 VAL 21 HG22 VAL 21 -6.398 -1.182 0.195 150 3HG2 VAL 21 HG21 VAL 21 -5.394 -2.560 -0.250 151 H LYS 22 HN LYS 22 -4.442 -1.442 4.384 152 HA LYS 22 HA LYS 22 -1.918 -0.383 4.912 153 1HB LYS 22 HB2 LYS 22 -3.900 0.128 6.214 154 2HB LYS 22 HB1 LYS 22 -4.008 -1.540 6.780 155 1HG LYS 22 HG2 LYS 22 -2.087 -1.330 8.136 156 2HG LYS 22 HG1 LYS 22 -1.542 0.120 7.290 157 1HD LYS 22 HD2 LYS 22 -3.107 1.490 8.352 158 2HD LYS 22 HD1 LYS 22 -4.183 0.142 8.722 159 1HE LYS 22 HE2 LYS 22 -1.777 -0.492 10.032 160 2HE LYS 22 HE1 LYS 22 -2.034 1.237 10.339 161 1HZ LYS 22 HZ2 LYS 22 -4.506 0.396 10.597 162 2HZ LYS 22 HZ1 LYS 22 -3.724 -1.044 11.045 163 3HZ LYS 22 HZ3 LYS 22 -3.425 0.385 11.907 164 H LYS 23 HN LYS 23 -3.114 -3.569 6.082 165 HA LYS 23 HA LYS 23 -0.546 -4.306 7.188 166 1HB LYS 23 HB2 LYS 23 -1.658 -6.376 7.672 167 2HB LYS 23 HB1 LYS 23 -2.875 -5.109 7.831 168 1HG LYS 23 HG2 LYS 23 -4.130 -6.215 6.323 169 2HG LYS 23 HG1 LYS 23 -2.904 -5.845 5.111 170 1HD LYS 23 HD2 LYS 23 -2.362 -8.023 4.989 171 2HD LYS 23 HD1 LYS 23 -1.939 -8.015 6.701 172 1HE LYS 23 HE2 LYS 23 -4.331 -8.412 7.278 173 2HE LYS 23 HE1 LYS 23 -4.711 -8.497 5.546 174 1HZ LYS 23 HZ3 LYS 23 -2.441 -10.080 6.427 175 2HZ LYS 23 HZ2 LYS 23 -3.956 -10.617 6.978 176 3HZ LYS 23 HZ1 LYS 23 -3.661 -10.463 5.312 177 H ALA 24 HN ALA 24 -1.900 -4.541 4.005 178 HA ALA 24 HA ALA 24 -0.377 -6.750 3.028 179 1HB ALA 24 HB3 ALA 24 -2.404 -5.103 2.162 180 2HB ALA 24 HB2 ALA 24 -1.058 -4.605 1.139 181 3HB ALA 24 HB1 ALA 24 -1.577 -6.290 1.154 182 H LEU 25 HN LEU 25 0.092 -3.239 2.598 183 HA LEU 25 HA LEU 25 2.687 -3.500 1.360 184 1HB LEU 25 HB2 LEU 25 1.308 -1.202 2.780 185 2HB LEU 25 HB1 LEU 25 2.656 -1.052 1.649 186 HG LEU 25 HG LEU 25 0.926 -2.563 0.187 187 1HD1 LEU 25 HD12 LEU 25 -0.616 -1.221 2.280 188 2HD1 LEU 25 HD11 LEU 25 -1.174 -0.847 0.648 189 3HD1 LEU 25 HD13 LEU 25 -1.089 -2.524 1.188 190 1HD2 LEU 25 HD21 LEU 25 1.645 0.289 0.403 191 2HD2 LEU 25 HD23 LEU 25 1.688 -0.778 -1.000 192 3HD2 LEU 25 HD22 LEU 25 0.167 -0.034 -0.503 193 H SER 26 HN SER 26 1.542 -3.182 4.665 194 HA SER 26 HA SER 26 4.137 -2.499 5.809 195 1HB SER 26 HB2 SER 26 2.465 -1.902 7.264 196 2HB SER 26 HB1 SER 26 1.368 -3.142 6.661 197 HG SER 26 HG SER 26 2.287 -3.376 8.877 198 H LYS 27 HN LYS 27 2.613 -5.423 4.698 199 HA LYS 27 HA LYS 27 4.684 -7.020 6.137 200 1HB LYS 27 HB2 LYS 27 3.096 -8.855 6.010 201 2HB LYS 27 HB1 LYS 27 2.253 -7.438 6.637 202 1HG LYS 27 HG2 LYS 27 0.777 -8.233 4.991 203 2HG LYS 27 HG1 LYS 27 1.671 -6.974 4.141 204 1HD LYS 27 HD2 LYS 27 2.558 -8.447 2.701 205 2HD LYS 27 HD1 LYS 27 3.046 -9.526 4.008 206 1HE LYS 27 HE2 LYS 27 0.188 -9.645 3.790 207 2HE LYS 27 HE1 LYS 27 0.886 -9.894 2.177 208 1HZ LYS 27 HZ1 LYS 27 2.120 -11.184 4.517 209 2HZ LYS 27 HZ3 LYS 27 0.743 -11.885 3.818 210 3HZ LYS 27 HZ2 LYS 27 2.148 -11.664 2.888 211 H VAL 28 HN VAL 28 4.086 -5.655 3.196 212 HA VAL 28 HA VAL 28 4.364 -7.661 1.249 213 HB VAL 28 HB VAL 28 3.971 -5.163 1.000 214 1HG1 VAL 28 HG13 VAL 28 5.931 -4.485 2.399 215 2HG1 VAL 28 HG12 VAL 28 6.999 -5.075 1.126 216 3HG1 VAL 28 HG11 VAL 28 5.920 -3.716 0.812 217 1HG2 VAL 28 HG23 VAL 28 6.005 -6.618 -0.703 218 2HG2 VAL 28 HG22 VAL 28 4.274 -6.448 -0.994 219 3HG2 VAL 28 HG21 VAL 28 5.338 -5.050 -1.154 220 H GLU 29 HN GLU 29 7.031 -5.933 2.969 221 HA GLU 29 HA GLU 29 8.708 -8.258 3.034 222 1HB GLU 29 HB2 GLU 29 8.548 -6.728 0.549 223 2HB GLU 29 HB1 GLU 29 10.204 -6.876 1.139 224 1HG GLU 29 HG2 GLU 29 9.177 -9.414 1.543 225 2HG GLU 29 HG1 GLU 29 8.440 -8.928 0.016 226 H GLY 30 HN GLY 30 10.021 -5.194 1.911 227 1HA GLY 30 HA2 GLY 30 11.418 -4.917 4.506 228 2HA GLY 30 HA1 GLY 30 11.847 -4.084 3.015 229 H VAL 31 HN VAL 31 8.534 -3.863 3.352 230 HA VAL 31 HA VAL 31 8.297 -1.108 3.595 231 HB VAL 31 HB VAL 31 6.446 -2.706 3.225 232 1HG1 VAL 31 HG13 VAL 31 7.478 -4.020 5.407 233 2HG1 VAL 31 HG12 VAL 31 6.060 -3.232 6.098 234 3HG1 VAL 31 HG11 VAL 31 5.881 -4.320 4.722 235 1HG2 VAL 31 HG23 VAL 31 6.309 -0.307 4.486 236 2HG2 VAL 31 HG22 VAL 31 4.883 -1.268 4.099 237 3HG2 VAL 31 HG21 VAL 31 5.581 -1.336 5.718 238 H SER 32 HN SER 32 8.348 0.365 5.178 239 HA SER 32 HA SER 32 9.258 -0.536 7.881 240 1HB SER 32 HB2 SER 32 10.658 0.933 6.159 241 2HB SER 32 HB1 SER 32 9.661 2.234 6.805 242 HG SER 32 HG SER 32 11.575 1.970 8.011 243 H LYS 33 HN LYS 33 6.868 1.092 6.055 244 HA LYS 33 HA LYS 33 5.236 1.530 8.460 245 1HB LYS 33 HB2 LYS 33 6.293 3.544 8.795 246 2HB LYS 33 HB1 LYS 33 6.796 3.677 7.115 247 1HG LYS 33 HG2 LYS 33 4.560 4.372 6.448 248 2HG LYS 33 HG1 LYS 33 3.950 4.090 8.078 249 1HD LYS 33 HD2 LYS 33 5.870 5.774 8.755 250 2HD LYS 33 HD1 LYS 33 5.722 6.291 7.075 251 1HE LYS 33 HE2 LYS 33 3.127 5.953 8.437 252 2HE LYS 33 HE1 LYS 33 4.142 7.241 9.115 253 1HZ LYS 33 HZ2 LYS 33 3.572 6.860 6.222 254 2HZ LYS 33 HZ1 LYS 33 2.831 8.025 7.212 255 3HZ LYS 33 HZ3 LYS 33 4.497 8.112 6.905 256 H VAL 34 HN VAL 34 3.043 2.366 7.838 257 HA VAL 34 HA VAL 34 2.346 2.434 4.985 258 HB VAL 34 HB VAL 34 2.707 0.006 5.651 259 1HG1 VAL 34 HG11 VAL 34 0.272 0.638 7.346 260 2HG1 VAL 34 HG13 VAL 34 0.830 -0.997 6.986 261 3HG1 VAL 34 HG12 VAL 34 1.848 0.097 7.923 262 1HG2 VAL 34 HG22 VAL 34 1.230 0.758 3.760 263 2HG2 VAL 34 HG21 VAL 34 0.718 -0.765 4.488 264 3HG2 VAL 34 HG23 VAL 34 -0.136 0.728 4.876 265 H ASP 35 HN ASP 35 0.038 2.939 4.690 266 HA ASP 35 HA ASP 35 -1.687 3.363 7.008 267 1HB ASP 35 HB2 ASP 35 -0.220 5.235 7.353 268 2HB ASP 35 HB1 ASP 35 -0.253 5.657 5.642 269 H VAL 36 HN VAL 36 -3.741 4.605 6.227 270 HA VAL 36 HA VAL 36 -4.171 4.259 3.289 271 HB VAL 36 HB VAL 36 -6.398 3.166 4.019 272 1HG1 VAL 36 HG13 VAL 36 -3.672 2.079 3.898 273 2HG1 VAL 36 HG12 VAL 36 -4.793 1.057 4.798 274 3HG1 VAL 36 HG11 VAL 36 -5.149 1.497 3.127 275 1HG2 VAL 36 HG21 VAL 36 -5.506 3.905 6.526 276 2HG2 VAL 36 HG23 VAL 36 -6.750 2.695 6.213 277 3HG2 VAL 36 HG22 VAL 36 -5.078 2.195 6.463 278 H GLY 37 HN GLY 37 -6.186 5.348 2.557 279 1HA GLY 37 HA2 GLY 37 -7.409 7.286 4.411 280 2HA GLY 37 HA1 GLY 37 -6.487 7.984 3.078 281 H PHE 38 HN PHE 38 -9.544 6.911 3.977 282 HA PHE 38 HA PHE 38 -10.482 5.823 1.470 283 1HB PHE 38 HB2 PHE 38 -11.440 6.415 4.111 284 2HB PHE 38 HB1 PHE 38 -12.582 7.075 2.939 285 HD1 PHE 38 HD2 PHE 38 -13.316 5.531 0.992 286 HD2 PHE 38 HD1 PHE 38 -11.425 4.102 4.574 287 HE1 PHE 38 HE2 PHE 38 -14.163 3.246 0.529 288 HE2 PHE 38 HE1 PHE 38 -12.275 1.818 4.112 289 HZ PHE 38 HZ PHE 38 -13.657 1.392 2.098 290 H GLU 39 HN GLU 39 -9.908 9.069 2.609 291 HA GLU 39 HA GLU 39 -11.681 10.668 1.180 292 1HB GLU 39 HB2 GLU 39 -9.188 10.902 2.464 293 2HB GLU 39 HB1 GLU 39 -8.925 11.553 0.845 294 1HG GLU 39 HG2 GLU 39 -11.401 12.367 2.318 295 2HG GLU 39 HG1 GLU 39 -9.866 13.100 2.785 296 H LYS 40 HN LYS 40 -8.720 9.115 -0.065 297 HA LYS 40 HA LYS 40 -9.794 9.478 -2.838 298 1HB LYS 40 HB2 LYS 40 -7.095 9.946 -1.609 299 2HB LYS 40 HB1 LYS 40 -7.193 9.485 -3.309 300 1HG LYS 40 HG2 LYS 40 -8.950 11.372 -3.517 301 2HG LYS 40 HG1 LYS 40 -8.328 11.935 -1.965 302 1HD LYS 40 HD2 LYS 40 -5.998 11.812 -3.035 303 2HD LYS 40 HD1 LYS 40 -6.837 11.658 -4.579 304 1HE LYS 40 HE2 LYS 40 -8.002 13.828 -3.062 305 2HE LYS 40 HE1 LYS 40 -6.249 14.061 -3.214 306 1HZ LYS 40 HZ3 LYS 40 -7.629 13.044 -5.564 307 2HZ LYS 40 HZ2 LYS 40 -7.949 14.663 -5.163 308 3HZ LYS 40 HZ1 LYS 40 -6.353 14.156 -5.455 309 H ARG 41 HN ARG 41 -9.896 7.221 -0.824 310 HA ARG 41 HA ARG 41 -9.396 4.905 -0.708 311 1HB ARG 41 HB2 ARG 41 -10.112 5.649 -3.537 312 2HB ARG 41 HB1 ARG 41 -9.742 3.973 -3.148 313 1HG ARG 41 HG2 ARG 41 -11.997 5.686 -2.127 314 2HG ARG 41 HG1 ARG 41 -12.077 4.103 -2.893 315 1HD ARG 41 HD2 ARG 41 -11.256 4.780 -0.064 316 2HD ARG 41 HD1 ARG 41 -12.443 3.586 -0.622 317 HE ARG 41 HE ARG 41 -10.066 2.750 -1.778 318 1HH1 ARG 41 HH21 ARG 41 -11.156 3.501 1.411 319 2HH1 ARG 41 HH22 ARG 41 -10.088 2.382 2.181 320 1HH2 ARG 41 HH11 ARG 41 -8.658 1.302 -0.773 321 2HH2 ARG 41 HH12 ARG 41 -8.672 1.144 0.949 322 H GLU 42 HN GLU 42 -6.992 5.945 -0.406 323 HA GLU 42 HA GLU 42 -5.287 4.356 -2.269 324 1HB GLU 42 HB2 GLU 42 -3.737 6.377 -2.293 325 2HB GLU 42 HB1 GLU 42 -5.266 6.605 -3.143 326 1HG GLU 42 HG2 GLU 42 -6.206 7.813 -1.282 327 2HG GLU 42 HG1 GLU 42 -4.827 7.410 -0.258 328 H ALA 43 HN ALA 43 -3.307 3.623 -1.267 329 HA ALA 43 HA ALA 43 -3.245 4.066 1.703 330 1HB ALA 43 HB3 ALA 43 -3.447 1.726 0.100 331 2HB ALA 43 HB2 ALA 43 -1.830 1.711 0.805 332 3HB ALA 43 HB1 ALA 43 -3.247 1.805 1.850 333 H VAL 44 HN VAL 44 -1.349 4.976 2.478 334 HA VAL 44 HA VAL 44 0.850 5.375 0.494 335 HB VAL 44 HB VAL 44 -0.302 7.322 1.563 336 1HG1 VAL 44 HG12 VAL 44 -0.311 5.775 3.807 337 2HG1 VAL 44 HG11 VAL 44 1.053 6.839 4.147 338 3HG1 VAL 44 HG13 VAL 44 -0.540 7.523 3.820 339 1HG2 VAL 44 HG23 VAL 44 2.283 7.104 0.974 340 2HG2 VAL 44 HG22 VAL 44 1.665 8.539 1.792 341 3HG2 VAL 44 HG21 VAL 44 2.463 7.270 2.721 342 H VAL 45 HN VAL 45 2.755 4.347 0.819 343 HA VAL 45 HA VAL 45 3.271 3.153 3.517 344 HB VAL 45 HB VAL 45 2.356 1.680 1.622 345 1HG1 VAL 45 HG13 VAL 45 3.849 2.723 -0.118 346 2HG1 VAL 45 HG12 VAL 45 5.212 1.909 0.651 347 3HG1 VAL 45 HG11 VAL 45 3.913 0.961 -0.074 348 1HG2 VAL 45 HG22 VAL 45 4.789 1.189 3.291 349 2HG2 VAL 45 HG21 VAL 45 3.202 0.424 3.378 350 3HG2 VAL 45 HG23 VAL 45 4.336 -0.037 2.108 351 H THR 46 HN THR 46 5.357 3.182 4.218 352 HA THR 46 HA THR 46 7.423 4.524 2.507 353 HB THR 46 HB THR 46 6.752 4.403 5.441 354 HG1 THR 46 HG1 THR 46 6.441 6.433 5.077 355 1HG2 THR 46 HG22 THR 46 9.467 4.430 4.261 356 2HG2 THR 46 HG21 THR 46 9.163 5.647 5.502 357 3HG2 THR 46 HG23 THR 46 8.942 3.936 5.871 358 H PHE 47 HN PHE 47 9.626 3.419 2.665 359 HA PHE 47 HA PHE 47 9.771 0.871 4.048 360 1HB PHE 47 HB2 PHE 47 9.630 -0.548 2.044 361 2HB PHE 47 HB1 PHE 47 8.144 0.380 2.252 362 HD1 PHE 47 HD2 PHE 47 11.392 0.286 0.392 363 HD2 PHE 47 HD1 PHE 47 7.440 1.971 0.638 364 HE1 PHE 47 HE2 PHE 47 11.691 1.308 -1.836 365 HE2 PHE 47 HE1 PHE 47 7.742 2.992 -1.600 366 HZ PHE 47 HZ PHE 47 9.860 2.661 -2.837 367 H ASP 48 HN ASP 48 11.560 -0.521 2.888 368 HA ASP 48 HA ASP 48 13.860 1.323 2.413 369 1HB ASP 48 HB2 ASP 48 13.727 -1.585 3.293 370 2HB ASP 48 HB1 ASP 48 15.194 -0.609 3.203 371 H ASP 49 HN ASP 49 14.220 1.507 0.245 372 HA ASP 49 HA ASP 49 13.139 -0.184 -1.754 373 1HB ASP 49 HB2 ASP 49 13.868 2.051 -2.223 374 2HB ASP 49 HB1 ASP 49 15.505 1.699 -1.668 375 H THR 50 HN THR 50 15.744 -0.817 0.356 376 HA THR 50 HA THR 50 17.443 -2.395 -1.355 377 HB THR 50 HB THR 50 17.953 -1.369 0.903 378 HG1 THR 50 HG1 THR 50 19.224 -3.054 -0.041 379 1HG2 THR 50 HG23 THR 50 15.722 -2.318 1.833 380 2HG2 THR 50 HG22 THR 50 16.629 -3.814 2.060 381 3HG2 THR 50 HG21 THR 50 17.138 -2.341 2.885 382 H LYS 51 HN LYS 51 14.427 -3.098 0.322 383 HA LYS 51 HA LYS 51 14.663 -5.931 -0.618 384 1HB LYS 51 HB2 LYS 51 14.348 -4.794 2.017 385 2HB LYS 51 HB1 LYS 51 12.965 -5.821 1.633 386 1HG LYS 51 HG2 LYS 51 14.287 -7.727 1.357 387 2HG LYS 51 HG1 LYS 51 15.750 -6.789 1.049 388 1HD LYS 51 HD2 LYS 51 16.249 -7.222 3.221 389 2HD LYS 51 HD1 LYS 51 15.067 -5.962 3.582 390 1HE LYS 51 HE2 LYS 51 13.277 -7.697 3.684 391 2HE LYS 51 HE1 LYS 51 14.510 -8.946 3.420 392 1HZ LYS 51 HZ2 LYS 51 15.077 -6.957 5.472 393 2HZ LYS 51 HZ1 LYS 51 13.861 -8.085 5.840 394 3HZ LYS 51 HZ3 LYS 51 15.422 -8.620 5.450 395 H ALA 52 HN ALA 52 12.805 -3.067 -0.645 396 HA ALA 52 HA ALA 52 10.630 -4.491 -2.085 397 1HB ALA 52 HB1 ALA 52 10.420 -3.969 0.581 398 2HB ALA 52 HB3 ALA 52 9.746 -2.486 -0.091 399 3HB ALA 52 HB2 ALA 52 9.034 -4.045 -0.507 400 H SER 53 HN SER 53 8.885 -2.458 -2.489 401 HA SER 53 HA SER 53 9.850 0.152 -2.981 402 1HB SER 53 HB2 SER 53 10.875 -1.945 -4.729 403 2HB SER 53 HB1 SER 53 10.047 -0.688 -5.644 404 HG SER 53 HG SER 53 11.374 0.724 -4.082 405 H VAL 54 HN VAL 54 8.493 1.232 -4.807 406 HA VAL 54 HA VAL 54 5.777 1.050 -4.440 407 HB VAL 54 HB VAL 54 6.706 2.764 -5.820 408 1HG1 VAL 54 HG11 VAL 54 7.674 0.492 -7.579 409 2HG1 VAL 54 HG13 VAL 54 7.793 2.197 -8.008 410 3HG1 VAL 54 HG12 VAL 54 8.678 1.575 -6.616 411 1HG2 VAL 54 HG23 VAL 54 4.481 1.389 -6.580 412 2HG2 VAL 54 HG22 VAL 54 5.054 2.841 -7.400 413 3HG2 VAL 54 HG21 VAL 54 5.455 1.251 -8.043 414 H GLN 55 HN GLN 55 7.729 -1.045 -6.536 415 HA GLN 55 HA GLN 55 5.672 -2.381 -7.937 416 1HB GLN 55 HB2 GLN 55 8.312 -2.465 -7.973 417 2HB GLN 55 HB1 GLN 55 8.082 -3.822 -6.869 418 1HG GLN 55 HG2 GLN 55 8.029 -4.914 -8.923 419 2HG GLN 55 HG1 GLN 55 6.314 -4.593 -8.666 420 1HE2 GLN 55 HE22 GLN 55 7.567 -3.334 -12.070 421 2HE2 GLN 55 HE21 GLN 55 7.877 -4.796 -11.264 422 H LYS 56 HN LYS 56 7.188 -3.283 -4.823 423 HA LYS 56 HA LYS 56 5.319 -5.472 -4.391 424 1HB LYS 56 HB2 LYS 56 7.172 -4.134 -2.406 425 2HB LYS 56 HB1 LYS 56 6.625 -5.811 -2.411 426 1HG LYS 56 HG2 LYS 56 8.532 -4.481 -4.344 427 2HG LYS 56 HG1 LYS 56 8.848 -5.854 -3.283 428 1HD LYS 56 HD2 LYS 56 6.788 -6.882 -4.661 429 2HD LYS 56 HD1 LYS 56 7.395 -5.765 -5.884 430 1HE LYS 56 HE2 LYS 56 9.448 -6.867 -6.068 431 2HE LYS 56 HE1 LYS 56 9.335 -7.557 -4.436 432 1HZ LYS 56 HZ2 LYS 56 7.190 -8.237 -6.279 433 2HZ LYS 56 HZ1 LYS 56 8.703 -8.927 -6.625 434 3HZ LYS 56 HZ3 LYS 56 7.971 -9.203 -5.120 435 H LEU 57 HN LEU 57 5.235 -2.039 -3.672 436 HA LEU 57 HA LEU 57 3.427 -2.289 -1.393 437 1HB LEU 57 HB2 LEU 57 3.826 0.024 -3.313 438 2HB LEU 57 HB1 LEU 57 3.225 0.113 -1.659 439 HG LEU 57 HG LEU 57 6.008 -0.780 -2.462 440 1HD1 LEU 57 HD11 LEU 57 4.763 1.815 -1.914 441 2HD1 LEU 57 HD13 LEU 57 6.172 1.499 -0.902 442 3HD1 LEU 57 HD12 LEU 57 6.320 1.453 -2.659 443 1HD2 LEU 57 HD23 LEU 57 4.479 -1.140 -0.048 444 2HD2 LEU 57 HD22 LEU 57 6.148 -1.613 -0.365 445 3HD2 LEU 57 HD21 LEU 57 5.792 -0.009 0.276 446 H THR 58 HN THR 58 2.972 -1.137 -4.754 447 HA THR 58 HA THR 58 0.129 -1.176 -4.740 448 HB THR 58 HB THR 58 2.223 -1.541 -6.905 449 HG1 THR 58 HG1 THR 58 1.731 0.484 -5.543 450 1HG2 THR 58 HG22 THR 58 -0.642 -1.911 -7.026 451 2HG2 THR 58 HG21 THR 58 -0.155 -0.540 -8.023 452 3HG2 THR 58 HG23 THR 58 0.561 -2.128 -8.298 453 H LYS 59 HN LYS 59 2.518 -3.739 -5.207 454 HA LYS 59 HA LYS 59 0.571 -5.676 -6.144 455 1HB LYS 59 HB2 LYS 59 2.865 -5.816 -6.884 456 2HB LYS 59 HB1 LYS 59 3.451 -5.792 -5.221 457 1HG LYS 59 HG2 LYS 59 3.472 -8.056 -5.415 458 2HG LYS 59 HG1 LYS 59 1.730 -7.931 -5.171 459 1HD LYS 59 HD2 LYS 59 2.479 -7.415 -7.943 460 2HD LYS 59 HD1 LYS 59 2.995 -9.015 -7.407 461 1HE LYS 59 HE2 LYS 59 0.734 -9.584 -6.716 462 2HE LYS 59 HE1 LYS 59 0.178 -7.930 -7.046 463 1HZ LYS 59 HZ2 LYS 59 1.127 -8.299 -9.357 464 2HZ LYS 59 HZ1 LYS 59 1.154 -9.954 -8.973 465 3HZ LYS 59 HZ3 LYS 59 -0.319 -9.112 -8.990 466 H ALA 60 HN ALA 60 1.813 -4.573 -3.091 467 HA ALA 60 HA ALA 60 1.110 -6.897 -1.544 468 1HB ALA 60 HB3 ALA 60 1.663 -3.986 -0.917 469 2HB ALA 60 HB2 ALA 60 1.392 -5.198 0.335 470 3HB ALA 60 HB1 ALA 60 2.775 -5.344 -0.747 471 H THR 61 HN THR 61 -0.429 -3.730 -2.123 472 HA THR 61 HA THR 61 -2.837 -4.370 -0.642 473 HB THR 61 HB THR 61 -2.010 -2.066 -1.092 474 HG1 THR 61 HG1 THR 61 -4.509 -2.959 -1.897 475 1HG2 THR 61 HG21 THR 61 -2.633 -2.780 -3.970 476 2HG2 THR 61 HG23 THR 61 -2.244 -1.159 -3.398 477 3HG2 THR 61 HG22 THR 61 -1.038 -2.441 -3.299 478 H ALA 62 HN ALA 62 -1.708 -4.558 -3.917 479 HA ALA 62 HA ALA 62 -4.155 -5.303 -5.211 480 1HB ALA 62 HB1 ALA 62 -1.236 -5.891 -5.797 481 2HB ALA 62 HB3 ALA 62 -2.546 -6.157 -6.947 482 3HB ALA 62 HB2 ALA 62 -2.167 -4.522 -6.404 483 H ASP 63 HN ASP 63 -1.742 -7.047 -3.349 484 HA ASP 63 HA ASP 63 -2.918 -9.683 -4.004 485 1HB ASP 63 HB2 ASP 63 -0.514 -9.535 -3.816 486 2HB ASP 63 HB1 ASP 63 -0.633 -8.692 -2.271 487 H ALA 64 HN ALA 64 -3.398 -7.125 -1.808 488 HA ALA 64 HA ALA 64 -4.274 -8.690 0.493 489 1HB ALA 64 HB1 ALA 64 -3.462 -6.134 0.068 490 2HB ALA 64 HB3 ALA 64 -5.208 -5.900 0.005 491 3HB ALA 64 HB2 ALA 64 -4.461 -6.592 1.445 492 H GLY 65 HN GLY 65 -5.647 -7.375 -2.441 493 1HA GLY 65 HA2 GLY 65 -7.710 -8.856 -3.057 494 2HA GLY 65 HA1 GLY 65 -8.362 -8.215 -1.555 495 H TYR 66 HN TYR 66 -6.399 -6.096 -3.543 496 HA TYR 66 HA TYR 66 -8.847 -4.882 -4.731 497 1HB TYR 66 HB2 TYR 66 -6.796 -3.385 -3.080 498 2HB TYR 66 HB1 TYR 66 -8.283 -2.729 -3.758 499 HD1 TYR 66 HD1 TYR 66 -10.463 -4.104 -3.082 500 HD2 TYR 66 HD2 TYR 66 -6.776 -3.996 -0.913 501 HE1 TYR 66 HE1 TYR 66 -11.669 -4.728 -1.021 502 HE2 TYR 66 HE2 TYR 66 -7.964 -4.610 1.156 503 HH TYR 66 HH TYR 66 -11.357 -5.554 1.121 504 HA PRO 67 HA PRO 67 -5.652 -4.808 -7.984 505 1HB PRO 67 HB2 PRO 67 -7.670 -3.440 -9.564 506 2HB PRO 67 HB1 PRO 67 -7.030 -5.072 -9.788 507 1HG PRO 67 HG2 PRO 67 -9.616 -4.334 -8.805 508 2HG PRO 67 HG1 PRO 67 -8.950 -5.961 -8.980 509 1HD PRO 67 HD2 PRO 67 -9.466 -4.532 -6.534 510 2HD PRO 67 HD1 PRO 67 -8.734 -6.146 -6.714 511 H SER 68 HN SER 68 -4.344 -3.175 -7.022 512 HA SER 68 HA SER 68 -5.441 -0.403 -7.031 513 1HB SER 68 HB2 SER 68 -4.695 -0.611 -4.906 514 2HB SER 68 HB1 SER 68 -3.805 -2.078 -5.298 515 HG SER 68 HG SER 68 -2.969 0.551 -5.182 516 H SER 69 HN SER 69 -3.298 1.140 -6.968 517 HA SER 69 HA SER 69 -1.419 0.503 -9.168 518 1HB SER 69 HB2 SER 69 -3.495 2.706 -9.075 519 2HB SER 69 HB1 SER 69 -2.062 2.828 -10.093 520 HG SER 69 HG SER 69 -3.584 1.881 -11.349 521 H VAL 70 HN VAL 70 -0.316 3.094 -9.287 522 HA VAL 70 HA VAL 70 0.292 3.714 -6.451 523 HB VAL 70 HB VAL 70 1.763 2.017 -7.669 524 1HG1 VAL 70 HG13 VAL 70 1.813 3.944 -9.624 525 2HG1 VAL 70 HG12 VAL 70 3.339 4.248 -8.794 526 3HG1 VAL 70 HG11 VAL 70 3.006 2.654 -9.470 527 1HG2 VAL 70 HG22 VAL 70 2.329 4.110 -5.823 528 2HG2 VAL 70 HG21 VAL 70 3.159 2.563 -5.980 529 3HG2 VAL 70 HG23 VAL 70 3.723 3.966 -6.886 530 H LYS 71 HN LYS 71 1.360 5.821 -6.149 531 HA LYS 71 HA LYS 71 0.850 7.650 -8.475 532 1HB LYS 71 HB2 LYS 71 0.666 8.534 -5.615 533 2HB LYS 71 HB1 LYS 71 -0.167 9.185 -7.023 534 1HG LYS 71 HG2 LYS 71 -1.034 6.546 -6.916 535 2HG LYS 71 HG1 LYS 71 -0.982 7.039 -5.222 536 1HD LYS 71 HD2 LYS 71 -2.173 9.190 -6.039 537 2HD LYS 71 HD1 LYS 71 -2.537 8.258 -7.491 538 1HE LYS 71 HE2 LYS 71 -3.256 6.461 -5.562 539 2HE LYS 71 HE1 LYS 71 -3.663 7.992 -4.763 540 1HZ LYS 71 HZ3 LYS 71 -4.328 7.743 -7.595 541 2HZ LYS 71 HZ2 LYS 71 -5.284 6.857 -6.506 542 3HZ LYS 71 HZ1 LYS 71 -5.163 8.545 -6.355 543 H GLN 72 HN GLN 72 3.211 6.233 -7.275 544 HA GLN 72 HA GLN 72 5.208 8.190 -7.867 545 1HB GLN 72 HB2 GLN 72 4.660 9.368 -5.920 546 2HB GLN 72 HB1 GLN 72 4.273 7.901 -5.023 547 1HG GLN 72 HG2 GLN 72 6.444 7.524 -4.437 548 2HG GLN 72 HG1 GLN 72 7.067 8.122 -5.975 549 1HE2 GLN 72 HE22 GLN 72 7.753 11.330 -4.701 550 2HE2 GLN 72 HE21 GLN 72 7.943 10.211 -5.964 No H/Q in entry = 550 Start of MODEL 3 1 1H ALA 1 HT3 ALA 1 17.950 1.269 2.369 2 2H ALA 1 HT2 ALA 1 17.723 0.042 1.215 3 3H ALA 1 HT1 ALA 1 18.840 1.290 0.926 4 HA ALA 1 HA ALA 1 17.205 2.859 0.489 5 1HB ALA 1 HB1 ALA 1 17.423 0.625 -0.952 6 2HB ALA 1 HB3 ALA 1 15.753 0.406 -0.427 7 3HB ALA 1 HB2 ALA 1 16.208 1.843 -1.343 8 H THR 2 HN THR 2 15.407 3.859 1.339 9 HA THR 2 HA THR 2 13.314 2.310 2.682 10 HB THR 2 HB THR 2 14.599 2.787 4.549 11 HG1 THR 2 HG1 THR 2 13.427 5.296 4.542 12 1HG2 THR 2 HG21 THR 2 15.351 5.367 3.163 13 2HG2 THR 2 HG23 THR 2 15.783 5.015 4.836 14 3HG2 THR 2 HG22 THR 2 16.407 4.004 3.533 15 H GLN 3 HN GLN 3 12.021 2.946 0.975 16 HA GLN 3 HA GLN 3 11.671 5.889 0.536 17 1HB GLN 3 HB2 GLN 3 11.805 3.531 -1.101 18 2HB GLN 3 HB1 GLN 3 10.260 4.338 -1.372 19 1HG GLN 3 HG2 GLN 3 11.319 5.854 -2.652 20 2HG GLN 3 HG1 GLN 3 12.216 6.381 -1.226 21 1HE2 GLN 3 HE22 GLN 3 15.118 4.391 -2.037 22 2HE2 GLN 3 HE21 GLN 3 14.233 4.983 -0.715 23 H THR 4 HN THR 4 9.595 6.812 0.478 24 HA THR 4 HA THR 4 7.398 5.190 1.721 25 HB THR 4 HB THR 4 8.211 6.705 3.371 26 HG1 THR 4 HG1 THR 4 5.863 6.922 2.506 27 1HG2 THR 4 HG22 THR 4 8.698 8.418 0.999 28 2HG2 THR 4 HG21 THR 4 8.249 9.263 2.481 29 3HG2 THR 4 HG23 THR 4 9.667 8.213 2.459 30 H VAL 5 HN VAL 5 5.801 4.965 0.219 31 HA VAL 5 HA VAL 5 5.214 7.266 -1.638 32 HB VAL 5 HB VAL 5 4.848 4.332 -2.236 33 1HG1 VAL 5 HG13 VAL 5 5.055 6.854 -3.884 34 2HG1 VAL 5 HG12 VAL 5 5.064 5.237 -4.581 35 3HG1 VAL 5 HG11 VAL 5 3.647 5.811 -3.702 36 1HG2 VAL 5 HG21 VAL 5 7.321 5.245 -1.682 37 2HG2 VAL 5 HG23 VAL 5 7.022 4.103 -2.990 38 3HG2 VAL 5 HG22 VAL 5 7.190 5.822 -3.341 39 H THR 6 HN THR 6 2.949 7.124 -2.463 40 HA THR 6 HA THR 6 1.094 6.197 -0.322 41 HB THR 6 HB THR 6 -0.342 7.909 -1.776 42 HG1 THR 6 HG1 THR 6 2.126 9.123 -2.122 43 1HG2 THR 6 HG22 THR 6 1.439 8.152 0.493 44 2HG2 THR 6 HG21 THR 6 1.330 9.674 -0.391 45 3HG2 THR 6 HG23 THR 6 -0.133 8.908 0.228 46 H LEU 7 HN LEU 7 -0.977 5.238 -1.212 47 HA LEU 7 HA LEU 7 -0.592 4.175 -3.978 48 1HB LEU 7 HB2 LEU 7 -0.587 2.830 -1.401 49 2HB LEU 7 HB1 LEU 7 -1.853 2.185 -2.448 50 HG LEU 7 HG LEU 7 -0.287 1.699 -4.183 51 1HD1 LEU 7 HD12 LEU 7 1.523 3.451 -2.582 52 2HD1 LEU 7 HD11 LEU 7 2.212 2.217 -3.637 53 3HD1 LEU 7 HD13 LEU 7 1.186 3.477 -4.307 54 1HD2 LEU 7 HD21 LEU 7 -0.279 0.250 -2.015 55 2HD2 LEU 7 HD23 LEU 7 1.030 0.022 -3.175 56 3HD2 LEU 7 HD22 LEU 7 1.297 0.987 -1.725 57 H ALA 8 HN ALA 8 -2.557 3.599 -5.033 58 HA ALA 8 HA ALA 8 -4.965 5.004 -3.924 59 1HB ALA 8 HB1 ALA 8 -3.890 4.423 -6.685 60 2HB ALA 8 HB3 ALA 8 -5.581 4.868 -6.453 61 3HB ALA 8 HB2 ALA 8 -4.302 5.983 -5.974 62 H VAL 9 HN VAL 9 -6.292 3.492 -2.959 63 HA VAL 9 HA VAL 9 -6.761 0.913 -4.425 64 HB VAL 9 HB VAL 9 -5.542 0.419 -2.434 65 1HG1 VAL 9 HG11 VAL 9 -7.365 2.425 -1.069 66 2HG1 VAL 9 HG13 VAL 9 -6.196 1.410 -0.224 67 3HG1 VAL 9 HG12 VAL 9 -5.640 2.616 -1.385 68 1HG2 VAL 9 HG21 VAL 9 -8.291 -0.283 -2.633 69 2HG2 VAL 9 HG23 VAL 9 -7.010 -1.166 -1.804 70 3HG2 VAL 9 HG22 VAL 9 -7.959 0.034 -0.930 71 HA PRO 10 HA PRO 10 -10.773 3.162 -4.035 72 1HB PRO 10 HB2 PRO 10 -11.502 2.474 -6.643 73 2HB PRO 10 HB1 PRO 10 -10.727 3.986 -6.159 74 1HG PRO 10 HG2 PRO 10 -9.607 1.766 -7.685 75 2HG PRO 10 HG1 PRO 10 -8.942 3.383 -7.427 76 1HD PRO 10 HD2 PRO 10 -8.121 0.907 -6.178 77 2HD PRO 10 HD1 PRO 10 -7.447 2.537 -5.925 78 H GLY 11 HN GLY 11 -10.477 0.630 -2.854 79 1HA GLY 11 HA2 GLY 11 -12.427 -1.144 -4.217 80 2HA GLY 11 HA1 GLY 11 -11.394 -1.603 -2.864 81 H MET 12 HN MET 12 -11.965 0.774 -1.305 82 HA MET 12 HA MET 12 -13.529 1.620 0.221 83 1HB MET 12 HB2 MET 12 -15.572 0.318 -1.608 84 2HB MET 12 HB1 MET 12 -15.835 1.657 -0.498 85 1HG MET 12 HG2 MET 12 -14.864 3.186 -1.890 86 2HG MET 12 HG1 MET 12 -13.684 2.034 -2.512 87 1HE MET 12 HE1 MET 12 -16.323 4.053 -2.798 88 2HE MET 12 HE3 MET 12 -16.735 3.947 -4.515 89 3HE MET 12 HE2 MET 12 -17.756 3.165 -3.311 90 H THR 13 HN THR 13 -15.384 -1.264 -0.737 91 HA THR 13 HA THR 13 -16.131 -3.064 0.587 92 HB THR 13 HB THR 13 -14.051 -3.737 2.195 93 HG1 THR 13 HG1 THR 13 -12.885 -2.277 0.073 94 1HG2 THR 13 HG21 THR 13 -14.282 -4.041 -0.805 95 2HG2 THR 13 HG23 THR 13 -13.126 -4.940 0.180 96 3HG2 THR 13 HG22 THR 13 -14.858 -5.158 0.434 97 H CYS 14 HN CYS 14 -16.044 -0.098 1.688 98 HA CYS 14 HA CYS 14 -16.701 0.987 3.664 99 1HB CYS 14 HB2 CYS 14 -18.391 -1.001 3.014 100 2HB CYS 14 HB1 CYS 14 -17.885 -1.580 4.601 101 HG CYS 14 HG CYS 14 -18.656 1.351 4.728 102 H ALA 15 HN ALA 15 -15.000 1.424 5.028 103 HA ALA 15 HA ALA 15 -13.336 1.084 6.685 104 1HB ALA 15 HB1 ALA 15 -15.899 -0.235 7.484 105 2HB ALA 15 HB3 ALA 15 -14.497 -0.448 8.533 106 3HB ALA 15 HB2 ALA 15 -15.101 1.172 8.186 107 H ALA 16 HN ALA 16 -13.098 -0.770 4.427 108 HA ALA 16 HA ALA 16 -11.743 -3.014 5.867 109 1HB ALA 16 HB1 ALA 16 -13.992 -3.062 3.946 110 2HB ALA 16 HB3 ALA 16 -12.709 -4.224 3.616 111 3HB ALA 16 HB2 ALA 16 -13.540 -4.245 5.172 112 H CYS 17 HN CYS 17 -12.138 -1.159 2.861 113 HA CYS 17 HA CYS 17 -10.039 -2.191 1.317 114 1HB CYS 17 HB2 CYS 17 -11.171 -0.626 0.125 115 2HB CYS 17 HB1 CYS 17 -11.640 0.256 1.570 116 HG CYS 17 HG CYS 17 -9.889 1.561 -0.130 117 HA PRO 18 HA PRO 18 -6.993 0.854 3.477 118 1HB PRO 18 HB2 PRO 18 -7.991 1.850 5.913 119 2HB PRO 18 HB1 PRO 18 -7.899 2.722 4.379 120 1HG PRO 18 HG2 PRO 18 -10.254 1.719 5.759 121 2HG PRO 18 HG1 PRO 18 -10.160 2.783 4.353 122 1HD PRO 18 HD2 PRO 18 -10.887 -0.004 4.407 123 2HD PRO 18 HD1 PRO 18 -10.763 1.065 2.989 124 H ILE 19 HN ILE 19 -8.812 -1.573 5.154 125 HA ILE 19 HA ILE 19 -6.783 -1.890 7.295 126 HB ILE 19 HB ILE 19 -9.385 -3.265 6.563 127 1HG1 ILE 19 HG12 ILE 19 -9.686 -1.028 7.461 128 2HG1 ILE 19 HG11 ILE 19 -10.107 -2.188 8.722 129 1HG2 ILE 19 HG21 ILE 19 -7.375 -3.822 8.744 130 2HG2 ILE 19 HG23 ILE 19 -9.077 -4.241 8.935 131 3HG2 ILE 19 HG22 ILE 19 -8.132 -4.964 7.633 132 1HD1 ILE 19 HD12 ILE 19 -7.634 -1.965 9.466 133 2HD1 ILE 19 HD11 ILE 19 -7.615 -0.508 8.474 134 3HD1 ILE 19 HD13 ILE 19 -8.725 -0.631 9.839 135 H THR 20 HN THR 20 -8.115 -3.700 4.560 136 HA THR 20 HA THR 20 -6.329 -5.948 4.762 137 HB THR 20 HB THR 20 -8.355 -4.761 2.922 138 HG1 THR 20 HG1 THR 20 -7.884 -7.409 3.812 139 1HG2 THR 20 HG23 THR 20 -6.512 -5.281 1.391 140 2HG2 THR 20 HG22 THR 20 -6.433 -6.921 2.037 141 3HG2 THR 20 HG21 THR 20 -7.865 -6.388 1.153 142 H VAL 21 HN VAL 21 -6.368 -2.873 2.998 143 HA VAL 21 HA VAL 21 -4.088 -3.363 1.361 144 HB VAL 21 HB VAL 21 -5.551 -0.963 2.455 145 1HG1 VAL 21 HG11 VAL 21 -2.900 -1.071 1.136 146 2HG1 VAL 21 HG13 VAL 21 -4.025 0.129 0.508 147 3HG1 VAL 21 HG12 VAL 21 -3.569 0.151 2.213 148 1HG2 VAL 21 HG22 VAL 21 -5.945 -2.697 0.293 149 2HG2 VAL 21 HG21 VAL 21 -6.725 -1.134 0.529 150 3HG2 VAL 21 HG23 VAL 21 -5.251 -1.246 -0.431 151 H LYS 22 HN LYS 22 -4.523 -1.851 4.548 152 HA LYS 22 HA LYS 22 -1.877 -1.058 5.097 153 1HB LYS 22 HB2 LYS 22 -3.588 -0.448 6.606 154 2HB LYS 22 HB1 LYS 22 -4.184 -2.102 6.736 155 1HG LYS 22 HG2 LYS 22 -2.670 -2.656 8.344 156 2HG LYS 22 HG1 LYS 22 -1.375 -1.735 7.576 157 1HD LYS 22 HD2 LYS 22 -1.939 0.230 8.659 158 2HD LYS 22 HD1 LYS 22 -3.638 -0.220 8.813 159 1HE LYS 22 HE2 LYS 22 -1.792 -2.011 10.268 160 2HE LYS 22 HE1 LYS 22 -1.840 -0.345 10.881 161 1HZ LYS 22 HZ1 LYS 22 -4.305 -0.492 10.739 162 2HZ LYS 22 HZ3 LYS 22 -4.152 -2.147 10.400 163 3HZ LYS 22 HZ2 LYS 22 -3.624 -1.534 11.895 164 H LYS 23 HN LYS 23 -3.395 -4.267 5.503 165 HA LYS 23 HA LYS 23 -0.964 -5.468 6.581 166 1HB LYS 23 HB2 LYS 23 -3.727 -6.287 5.799 167 2HB LYS 23 HB1 LYS 23 -2.511 -7.554 5.963 168 1HG LYS 23 HG2 LYS 23 -2.729 -5.496 8.128 169 2HG LYS 23 HG1 LYS 23 -3.938 -6.780 8.059 170 1HD LYS 23 HD2 LYS 23 -2.408 -8.440 8.538 171 2HD LYS 23 HD1 LYS 23 -1.068 -7.564 7.795 172 1HE LYS 23 HE2 LYS 23 -0.449 -7.011 9.913 173 2HE LYS 23 HE1 LYS 23 -1.851 -5.923 9.924 174 1HZ LYS 23 HZ1 LYS 23 -2.303 -8.783 10.378 175 2HZ LYS 23 HZ3 LYS 23 -1.653 -7.874 11.655 176 3HZ LYS 23 HZ2 LYS 23 -3.155 -7.444 10.987 177 H ALA 24 HN ALA 24 -2.271 -4.975 3.406 178 HA ALA 24 HA ALA 24 -0.941 -7.106 2.047 179 1HB ALA 24 HB3 ALA 24 -2.635 -4.863 1.507 180 2HB ALA 24 HB2 ALA 24 -1.289 -4.827 0.367 181 3HB ALA 24 HB1 ALA 24 -2.317 -6.257 0.474 182 H LEU 25 HN LEU 25 -0.147 -3.644 2.375 183 HA LEU 25 HA LEU 25 2.474 -3.949 1.143 184 1HB LEU 25 HB2 LEU 25 1.159 -1.751 2.758 185 2HB LEU 25 HB1 LEU 25 2.579 -1.558 1.724 186 HG LEU 25 HG LEU 25 0.871 -2.767 -0.003 187 1HD1 LEU 25 HD12 LEU 25 -0.738 -1.473 2.121 188 2HD1 LEU 25 HD11 LEU 25 -1.217 -1.142 0.455 189 3HD1 LEU 25 HD13 LEU 25 -1.153 -2.804 1.039 190 1HD2 LEU 25 HD23 LEU 25 1.976 -0.182 0.459 191 2HD2 LEU 25 HD22 LEU 25 1.435 -0.882 -1.066 192 3HD2 LEU 25 HD21 LEU 25 0.306 0.032 -0.067 193 H SER 26 HN SER 26 1.208 -3.848 4.443 194 HA SER 26 HA SER 26 3.765 -3.454 5.746 195 1HB SER 26 HB2 SER 26 2.492 -3.904 7.723 196 2HB SER 26 HB1 SER 26 1.355 -3.139 6.617 197 HG SER 26 HG SER 26 1.008 -5.391 7.788 198 H LYS 27 HN LYS 27 2.147 -6.166 4.281 199 HA LYS 27 HA LYS 27 4.229 -7.963 5.428 200 1HB LYS 27 HB2 LYS 27 2.453 -9.212 6.057 201 2HB LYS 27 HB1 LYS 27 1.360 -8.105 5.242 202 1HG LYS 27 HG2 LYS 27 2.863 -10.309 3.803 203 2HG LYS 27 HG1 LYS 27 1.234 -10.507 4.446 204 1HD LYS 27 HD2 LYS 27 1.197 -8.084 3.002 205 2HD LYS 27 HD1 LYS 27 2.061 -9.239 1.986 206 1HE LYS 27 HE2 LYS 27 -0.529 -10.022 3.333 207 2HE LYS 27 HE1 LYS 27 -0.528 -9.179 1.772 208 1HZ LYS 27 HZ3 LYS 27 1.014 -11.646 2.384 209 2HZ LYS 27 HZ2 LYS 27 -0.430 -11.597 1.489 210 3HZ LYS 27 HZ1 LYS 27 0.970 -10.842 0.892 211 H VAL 28 HN VAL 28 3.493 -6.268 2.690 212 HA VAL 28 HA VAL 28 3.618 -7.933 0.477 213 HB VAL 28 HB VAL 28 3.461 -5.528 0.299 214 1HG1 VAL 28 HG11 VAL 28 5.242 -5.392 2.318 215 2HG1 VAL 28 HG13 VAL 28 6.323 -5.068 0.963 216 3HG1 VAL 28 HG12 VAL 28 4.922 -4.033 1.241 217 1HG2 VAL 28 HG23 VAL 28 4.630 -6.849 -1.538 218 2HG2 VAL 28 HG22 VAL 28 5.001 -5.125 -1.499 219 3HG2 VAL 28 HG21 VAL 28 6.156 -6.290 -0.854 220 H GLU 29 HN GLU 29 6.525 -6.740 2.259 221 HA GLU 29 HA GLU 29 7.912 -9.227 2.145 222 1HB GLU 29 HB2 GLU 29 7.822 -7.614 -0.295 223 2HB GLU 29 HB1 GLU 29 9.472 -7.983 0.207 224 1HG GLU 29 HG2 GLU 29 7.943 -10.353 0.564 225 2HG GLU 29 HG1 GLU 29 7.559 -9.722 -1.037 226 H GLY 30 HN GLY 30 9.290 -6.103 1.120 227 1HA GLY 30 HA2 GLY 30 11.020 -6.177 3.529 228 2HA GLY 30 HA1 GLY 30 11.300 -5.189 2.097 229 H VAL 31 HN VAL 31 8.081 -4.880 2.777 230 HA VAL 31 HA VAL 31 7.994 -2.179 3.396 231 HB VAL 31 HB VAL 31 6.035 -3.567 2.972 232 1HG1 VAL 31 HG13 VAL 31 7.164 -5.400 4.583 233 2HG1 VAL 31 HG12 VAL 31 6.064 -4.661 5.745 234 3HG1 VAL 31 HG11 VAL 31 5.430 -5.379 4.264 235 1HG2 VAL 31 HG22 VAL 31 6.147 -1.481 4.710 236 2HG2 VAL 31 HG21 VAL 31 4.641 -2.290 4.281 237 3HG2 VAL 31 HG23 VAL 31 5.482 -2.724 5.769 238 H SER 32 HN SER 32 8.193 -0.936 5.145 239 HA SER 32 HA SER 32 9.207 -2.193 7.665 240 1HB SER 32 HB2 SER 32 9.999 0.165 6.023 241 2HB SER 32 HB1 SER 32 10.133 0.337 7.770 242 HG SER 32 HG SER 32 11.298 -1.657 6.116 243 H LYS 33 HN LYS 33 6.825 -0.246 6.172 244 HA LYS 33 HA LYS 33 5.323 0.008 8.669 245 1HB LYS 33 HB2 LYS 33 6.640 1.837 9.226 246 2HB LYS 33 HB1 LYS 33 6.983 2.232 7.546 247 1HG LYS 33 HG2 LYS 33 4.848 3.253 7.244 248 2HG LYS 33 HG1 LYS 33 4.230 2.572 8.749 249 1HD LYS 33 HD2 LYS 33 6.660 4.260 8.986 250 2HD LYS 33 HD1 LYS 33 5.170 5.102 8.559 251 1HE LYS 33 HE2 LYS 33 4.774 3.136 10.705 252 2HE LYS 33 HE1 LYS 33 5.915 4.424 11.141 253 1HZ LYS 33 HZ1 LYS 33 3.589 5.276 9.634 254 2HZ LYS 33 HZ3 LYS 33 3.254 4.722 11.201 255 3HZ LYS 33 HZ2 LYS 33 4.343 6.005 10.971 256 H VAL 34 HN VAL 34 3.185 1.125 8.219 257 HA VAL 34 HA VAL 34 2.518 1.565 5.371 258 HB VAL 34 HB VAL 34 1.575 -0.758 7.057 259 1HG1 VAL 34 HG11 VAL 34 0.321 0.439 4.574 260 2HG1 VAL 34 HG13 VAL 34 -0.015 -1.199 5.132 261 3HG1 VAL 34 HG12 VAL 34 -0.445 0.182 6.141 262 1HG2 VAL 34 HG23 VAL 34 3.139 -0.345 4.556 263 2HG2 VAL 34 HG22 VAL 34 3.338 -1.564 5.813 264 3HG2 VAL 34 HG21 VAL 34 2.066 -1.744 4.604 265 H ASP 35 HN ASP 35 0.238 2.339 5.138 266 HA ASP 35 HA ASP 35 -1.276 2.999 7.563 267 1HB ASP 35 HB2 ASP 35 0.775 4.735 6.550 268 2HB ASP 35 HB1 ASP 35 -0.788 5.518 6.318 269 H VAL 36 HN VAL 36 -3.336 4.119 6.963 270 HA VAL 36 HA VAL 36 -3.954 4.069 4.043 271 HB VAL 36 HB VAL 36 -6.097 2.823 4.775 272 1HG1 VAL 36 HG13 VAL 36 -3.461 1.919 4.119 273 2HG1 VAL 36 HG12 VAL 36 -4.164 0.788 5.275 274 3HG1 VAL 36 HG11 VAL 36 -5.003 1.140 3.764 275 1HG2 VAL 36 HG22 VAL 36 -4.988 3.264 7.295 276 2HG2 VAL 36 HG21 VAL 36 -6.314 2.161 6.927 277 3HG2 VAL 36 HG23 VAL 36 -4.657 1.560 6.980 278 H GLY 37 HN GLY 37 -5.750 5.410 3.480 279 1HA GLY 37 HA2 GLY 37 -7.032 6.964 5.659 280 2HA GLY 37 HA1 GLY 37 -6.170 7.859 4.406 281 H PHE 38 HN PHE 38 -9.116 6.320 5.220 282 HA PHE 38 HA PHE 38 -10.142 5.707 2.618 283 1HB PHE 38 HB2 PHE 38 -10.939 5.599 5.304 284 2HB PHE 38 HB1 PHE 38 -12.121 6.656 4.531 285 HD1 PHE 38 HD1 PHE 38 -12.125 5.552 1.765 286 HD2 PHE 38 HD2 PHE 38 -12.115 3.555 5.569 287 HE1 PHE 38 HE1 PHE 38 -13.211 3.576 0.730 288 HE2 PHE 38 HE2 PHE 38 -13.199 1.580 4.533 289 HZ PHE 38 HZ PHE 38 -13.761 1.596 2.122 290 H GLU 39 HN GLU 39 -9.902 8.729 4.423 291 HA GLU 39 HA GLU 39 -11.758 10.399 3.215 292 1HB GLU 39 HB2 GLU 39 -8.917 10.676 4.130 293 2HB GLU 39 HB1 GLU 39 -9.662 12.045 3.305 294 1HG GLU 39 HG2 GLU 39 -11.239 10.714 5.462 295 2HG GLU 39 HG1 GLU 39 -9.877 11.723 5.950 296 H LYS 40 HN LYS 40 -8.900 8.956 1.758 297 HA LYS 40 HA LYS 40 -9.710 10.138 -0.867 298 1HB LYS 40 HB2 LYS 40 -7.384 10.635 0.694 299 2HB LYS 40 HB1 LYS 40 -6.877 9.701 -0.714 300 1HG LYS 40 HG2 LYS 40 -6.930 11.647 -1.863 301 2HG LYS 40 HG1 LYS 40 -8.687 11.537 -1.762 302 1HD LYS 40 HD2 LYS 40 -8.493 13.560 -0.723 303 2HD LYS 40 HD1 LYS 40 -8.126 12.569 0.690 304 1HE LYS 40 HE2 LYS 40 -5.652 12.685 -0.344 305 2HE LYS 40 HE1 LYS 40 -6.286 14.210 -0.996 306 1HZ LYS 40 HZ3 LYS 40 -7.268 14.400 1.407 307 2HZ LYS 40 HZ2 LYS 40 -5.973 13.373 1.800 308 3HZ LYS 40 HZ1 LYS 40 -5.675 14.887 1.089 309 H ARG 41 HN ARG 41 -9.348 7.367 0.876 310 HA ARG 41 HA ARG 41 -9.195 5.095 0.268 311 1HB ARG 41 HB2 ARG 41 -9.990 6.578 -2.211 312 2HB ARG 41 HB1 ARG 41 -9.573 4.869 -2.354 313 1HG ARG 41 HG2 ARG 41 -11.222 5.163 -0.057 314 2HG ARG 41 HG1 ARG 41 -11.994 6.026 -1.384 315 1HD ARG 41 HD2 ARG 41 -10.896 3.399 -2.146 316 2HD ARG 41 HD1 ARG 41 -12.216 3.314 -0.968 317 HE ARG 41 HE ARG 41 -12.491 3.971 -3.748 318 1HH1 ARG 41 HH21 ARG 41 -13.530 5.086 -0.637 319 2HH1 ARG 41 HH22 ARG 41 -14.842 6.013 -1.280 320 1HH2 ARG 41 HH11 ARG 41 -14.204 5.156 -4.573 321 2HH2 ARG 41 HH12 ARG 41 -15.224 6.052 -3.498 322 H GLU 42 HN GLU 42 -6.752 6.242 0.689 323 HA GLU 42 HA GLU 42 -5.079 4.932 -1.421 324 1HB GLU 42 HB2 GLU 42 -4.415 7.576 -0.099 325 2HB GLU 42 HB1 GLU 42 -3.641 6.855 -1.510 326 1HG GLU 42 HG2 GLU 42 -5.720 7.105 -2.796 327 2HG GLU 42 HG1 GLU 42 -6.516 7.795 -1.382 328 H ALA 43 HN ALA 43 -3.173 3.933 -0.565 329 HA ALA 43 HA ALA 43 -3.003 3.992 2.436 330 1HB ALA 43 HB1 ALA 43 -3.686 1.873 1.041 331 2HB ALA 43 HB3 ALA 43 -1.964 1.775 0.673 332 3HB ALA 43 HB2 ALA 43 -2.515 1.688 2.346 333 H VAL 44 HN VAL 44 -1.067 4.754 3.251 334 HA VAL 44 HA VAL 44 1.141 5.238 1.298 335 HB VAL 44 HB VAL 44 0.100 7.136 2.550 336 1HG1 VAL 44 HG12 VAL 44 0.091 5.318 4.645 337 2HG1 VAL 44 HG11 VAL 44 1.364 6.451 5.096 338 3HG1 VAL 44 HG13 VAL 44 -0.268 7.039 4.776 339 1HG2 VAL 44 HG21 VAL 44 2.965 6.437 3.265 340 2HG2 VAL 44 HG23 VAL 44 2.424 7.366 1.867 341 3HG2 VAL 44 HG22 VAL 44 2.255 8.036 3.490 342 H VAL 45 HN VAL 45 2.929 3.976 1.484 343 HA VAL 45 HA VAL 45 3.397 2.619 4.118 344 HB VAL 45 HB VAL 45 3.269 1.549 1.300 345 1HG1 VAL 45 HG11 VAL 45 4.936 0.644 3.547 346 2HG1 VAL 45 HG13 VAL 45 3.896 -0.615 2.882 347 3HG1 VAL 45 HG12 VAL 45 5.035 0.232 1.837 348 1HG2 VAL 45 HG21 VAL 45 1.634 1.461 3.714 349 2HG2 VAL 45 HG23 VAL 45 1.211 1.016 2.061 350 3HG2 VAL 45 HG22 VAL 45 2.006 -0.153 3.113 351 H THR 46 HN THR 46 5.512 2.224 4.662 352 HA THR 46 HA THR 46 7.642 3.522 2.998 353 HB THR 46 HB THR 46 7.092 3.100 5.930 354 HG1 THR 46 HG1 THR 46 7.715 5.259 5.980 355 1HG2 THR 46 HG23 THR 46 9.778 3.069 4.616 356 2HG2 THR 46 HG22 THR 46 9.608 3.923 6.150 357 3HG2 THR 46 HG21 THR 46 9.221 2.205 6.049 358 H PHE 47 HN PHE 47 9.714 2.156 2.897 359 HA PHE 47 HA PHE 47 9.602 -0.560 3.918 360 1HB PHE 47 HB2 PHE 47 9.263 -1.645 1.722 361 2HB PHE 47 HB1 PHE 47 7.880 -0.640 2.160 362 HD1 PHE 47 HD2 PHE 47 11.031 -0.689 0.128 363 HD2 PHE 47 HD1 PHE 47 7.248 1.227 0.854 364 HE1 PHE 47 HE2 PHE 47 11.316 0.649 -1.929 365 HE2 PHE 47 HE1 PHE 47 7.535 2.566 -1.212 366 HZ PHE 47 HZ PHE 47 9.564 2.278 -2.603 367 H ASP 48 HN ASP 48 11.182 -1.956 2.444 368 HA ASP 48 HA ASP 48 13.662 -0.332 2.182 369 1HB ASP 48 HB2 ASP 48 13.274 -2.415 3.756 370 2HB ASP 48 HB1 ASP 48 13.513 -3.335 2.270 371 H ASP 49 HN ASP 49 13.891 0.257 0.073 372 HA ASP 49 HA ASP 49 12.599 -1.000 -2.129 373 1HB ASP 49 HB2 ASP 49 13.776 1.315 -1.774 374 2HB ASP 49 HB1 ASP 49 15.202 0.472 -2.376 375 H THR 50 HN THR 50 15.289 -2.064 -0.330 376 HA THR 50 HA THR 50 16.724 -3.442 -2.454 377 HB THR 50 HB THR 50 17.902 -4.449 -0.521 378 HG1 THR 50 HG1 THR 50 16.898 -4.603 1.298 379 1HG2 THR 50 HG21 THR 50 17.657 -1.694 -1.135 380 2HG2 THR 50 HG23 THR 50 17.730 -1.815 0.623 381 3HG2 THR 50 HG22 THR 50 19.019 -2.507 -0.363 382 H LYS 51 HN LYS 51 14.024 -4.223 -0.339 383 HA LYS 51 HA LYS 51 13.940 -6.965 -1.551 384 1HB LYS 51 HB2 LYS 51 13.340 -5.894 1.206 385 2HB LYS 51 HB1 LYS 51 12.676 -7.438 0.669 386 1HG LYS 51 HG2 LYS 51 14.675 -8.485 0.847 387 2HG LYS 51 HG1 LYS 51 15.539 -7.145 0.091 388 1HD LYS 51 HD2 LYS 51 16.393 -6.999 2.238 389 2HD LYS 51 HD1 LYS 51 14.986 -5.946 2.401 390 1HE LYS 51 HE2 LYS 51 15.052 -7.545 4.275 391 2HE LYS 51 HE1 LYS 51 13.668 -7.918 3.228 392 1HZ LYS 51 HZ2 LYS 51 16.275 -9.108 2.596 393 2HZ LYS 51 HZ1 LYS 51 15.373 -9.781 3.870 394 3HZ LYS 51 HZ3 LYS 51 14.714 -9.715 2.308 395 H ALA 52 HN ALA 52 12.455 -3.983 -1.534 396 HA ALA 52 HA ALA 52 10.003 -5.081 -2.741 397 1HB ALA 52 HB3 ALA 52 10.214 -4.256 0.038 398 2HB ALA 52 HB2 ALA 52 9.025 -3.276 -0.820 399 3HB ALA 52 HB1 ALA 52 8.864 -5.032 -0.788 400 H SER 53 HN SER 53 8.448 -2.863 -2.834 401 HA SER 53 HA SER 53 9.611 -0.315 -3.195 402 1HB SER 53 HB2 SER 53 9.791 -0.575 -5.810 403 2HB SER 53 HB1 SER 53 11.123 -1.122 -4.795 404 HG SER 53 HG SER 53 10.553 -2.738 -6.262 405 H VAL 54 HN VAL 54 8.202 1.055 -4.761 406 HA VAL 54 HA VAL 54 5.502 0.949 -4.210 407 HB VAL 54 HB VAL 54 6.457 2.800 -5.409 408 1HG1 VAL 54 HG11 VAL 54 8.175 1.351 -6.590 409 2HG1 VAL 54 HG13 VAL 54 6.916 0.932 -7.750 410 3HG1 VAL 54 HG12 VAL 54 7.450 2.604 -7.596 411 1HG2 VAL 54 HG23 VAL 54 4.051 2.001 -5.949 412 2HG2 VAL 54 HG22 VAL 54 4.790 3.154 -7.059 413 3HG2 VAL 54 HG21 VAL 54 4.725 1.443 -7.479 414 H GLN 55 HN GLN 55 7.121 -0.724 -6.929 415 HA GLN 55 HA GLN 55 4.893 -1.860 -8.204 416 1HB GLN 55 HB2 GLN 55 7.410 -1.944 -8.736 417 2HB GLN 55 HB1 GLN 55 7.483 -3.315 -7.627 418 1HG GLN 55 HG2 GLN 55 7.183 -4.089 -9.948 419 2HG GLN 55 HG1 GLN 55 5.772 -4.489 -8.968 420 1HE2 GLN 55 HE22 GLN 55 5.431 -1.692 -11.945 421 2HE2 GLN 55 HE21 GLN 55 6.969 -2.195 -11.433 422 H LYS 56 HN LYS 56 6.743 -3.180 -5.445 423 HA LYS 56 HA LYS 56 4.974 -5.453 -5.086 424 1HB LYS 56 HB2 LYS 56 7.025 -4.161 -3.258 425 2HB LYS 56 HB1 LYS 56 6.385 -5.797 -3.094 426 1HG LYS 56 HG2 LYS 56 7.973 -4.737 -5.450 427 2HG LYS 56 HG1 LYS 56 8.565 -5.856 -4.222 428 1HD LYS 56 HD2 LYS 56 6.474 -7.290 -4.934 429 2HD LYS 56 HD1 LYS 56 6.570 -6.335 -6.414 430 1HE LYS 56 HE2 LYS 56 7.996 -8.087 -6.983 431 2HE LYS 56 HE1 LYS 56 9.166 -6.996 -6.216 432 1HZ LYS 56 HZ3 LYS 56 7.661 -8.636 -4.373 433 2HZ LYS 56 HZ2 LYS 56 8.690 -9.517 -5.399 434 3HZ LYS 56 HZ1 LYS 56 9.321 -8.291 -4.408 435 H LEU 57 HN LEU 57 4.896 -2.122 -3.976 436 HA LEU 57 HA LEU 57 3.242 -2.613 -1.634 437 1HB LEU 57 HB2 LEU 57 3.605 -0.164 -3.398 438 2HB LEU 57 HB1 LEU 57 2.932 -0.159 -1.773 439 HG LEU 57 HG LEU 57 5.750 -0.975 -2.521 440 1HD1 LEU 57 HD11 LEU 57 4.588 1.550 -2.169 441 2HD1 LEU 57 HD13 LEU 57 5.419 1.216 -0.651 442 3HD1 LEU 57 HD12 LEU 57 6.312 1.175 -2.172 443 1HD2 LEU 57 HD21 LEU 57 4.700 -2.193 -0.537 444 2HD2 LEU 57 HD23 LEU 57 6.150 -1.264 -0.160 445 3HD2 LEU 57 HD22 LEU 57 4.560 -0.622 0.248 446 H THR 58 HN THR 58 2.504 -1.147 -4.816 447 HA THR 58 HA THR 58 -0.324 -1.275 -4.630 448 HB THR 58 HB THR 58 0.042 -1.413 -7.249 449 HG1 THR 58 HG1 THR 58 2.035 -1.741 -7.749 450 1HG2 THR 58 HG21 THR 58 0.906 0.788 -5.383 451 2HG2 THR 58 HG23 THR 58 0.962 1.003 -7.132 452 3HG2 THR 58 HG22 THR 58 -0.574 0.667 -6.334 453 H LYS 59 HN LYS 59 2.090 -3.715 -5.466 454 HA LYS 59 HA LYS 59 0.218 -5.624 -6.541 455 1HB LYS 59 HB2 LYS 59 2.594 -5.605 -7.127 456 2HB LYS 59 HB1 LYS 59 3.033 -5.843 -5.435 457 1HG LYS 59 HG2 LYS 59 2.195 -8.055 -5.406 458 2HG LYS 59 HG1 LYS 59 1.261 -7.811 -6.882 459 1HD LYS 59 HD2 LYS 59 3.143 -7.952 -8.257 460 2HD LYS 59 HD1 LYS 59 4.250 -7.517 -6.954 461 1HE LYS 59 HE2 LYS 59 3.709 -9.719 -5.848 462 2HE LYS 59 HE1 LYS 59 2.793 -10.159 -7.304 463 1HZ LYS 59 HZ2 LYS 59 4.970 -9.287 -8.457 464 2HZ LYS 59 HZ1 LYS 59 5.675 -9.739 -6.979 465 3HZ LYS 59 HZ3 LYS 59 4.853 -10.892 -7.912 466 H ALA 60 HN ALA 60 1.514 -4.895 -3.350 467 HA ALA 60 HA ALA 60 0.623 -7.299 -2.066 468 1HB ALA 60 HB1 ALA 60 2.118 -4.999 -1.478 469 2HB ALA 60 HB3 ALA 60 0.737 -4.927 -0.383 470 3HB ALA 60 HB2 ALA 60 1.795 -6.339 -0.378 471 H THR 61 HN THR 61 -0.718 -3.975 -2.171 472 HA THR 61 HA THR 61 -3.177 -4.703 -0.836 473 HB THR 61 HB THR 61 -2.440 -2.403 -0.842 474 HG1 THR 61 HG1 THR 61 -4.213 -1.419 -2.081 475 1HG2 THR 61 HG21 THR 61 -1.630 -3.047 -3.502 476 2HG2 THR 61 HG23 THR 61 -2.710 -1.658 -3.585 477 3HG2 THR 61 HG22 THR 61 -1.266 -1.594 -2.576 478 H ALA 62 HN ALA 62 -1.947 -4.782 -4.053 479 HA ALA 62 HA ALA 62 -4.411 -5.053 -5.505 480 1HB ALA 62 HB1 ALA 62 -1.522 -5.816 -5.934 481 2HB ALA 62 HB3 ALA 62 -2.748 -6.215 -7.136 482 3HB ALA 62 HB2 ALA 62 -2.439 -4.530 -6.718 483 H ASP 63 HN ASP 63 -2.271 -7.305 -3.812 484 HA ASP 63 HA ASP 63 -3.806 -9.659 -4.668 485 1HB ASP 63 HB2 ASP 63 -1.318 -8.985 -3.260 486 2HB ASP 63 HB1 ASP 63 -2.160 -10.356 -2.536 487 H ALA 64 HN ALA 64 -3.987 -7.260 -2.226 488 HA ALA 64 HA ALA 64 -5.298 -8.821 -0.162 489 1HB ALA 64 HB1 ALA 64 -4.309 -6.192 -0.613 490 2HB ALA 64 HB3 ALA 64 -6.022 -6.021 -0.237 491 3HB ALA 64 HB2 ALA 64 -4.949 -6.841 0.897 492 H GLY 65 HN GLY 65 -6.208 -7.119 -3.080 493 1HA GLY 65 HA2 GLY 65 -8.316 -8.226 -4.077 494 2HA GLY 65 HA1 GLY 65 -9.064 -7.779 -2.549 495 H TYR 66 HN TYR 66 -6.747 -5.565 -3.972 496 HA TYR 66 HA TYR 66 -9.023 -3.921 -5.016 497 1HB TYR 66 HB2 TYR 66 -6.790 -2.990 -3.200 498 2HB TYR 66 HB1 TYR 66 -8.117 -2.004 -3.803 499 HD1 TYR 66 HD1 TYR 66 -10.523 -3.173 -3.373 500 HD2 TYR 66 HD2 TYR 66 -6.947 -3.736 -1.092 501 HE1 TYR 66 HE1 TYR 66 -11.884 -3.795 -1.410 502 HE2 TYR 66 HE2 TYR 66 -8.289 -4.350 0.880 503 HH TYR 66 HH TYR 66 -10.838 -5.414 1.121 504 HA PRO 67 HA PRO 67 -5.858 -3.701 -8.288 505 1HB PRO 67 HB2 PRO 67 -7.746 -2.025 -9.699 506 2HB PRO 67 HB1 PRO 67 -7.285 -3.689 -10.076 507 1HG PRO 67 HG2 PRO 67 -9.773 -2.764 -8.993 508 2HG PRO 67 HG1 PRO 67 -9.296 -4.428 -9.343 509 1HD PRO 67 HD2 PRO 67 -9.624 -3.195 -6.756 510 2HD PRO 67 HD1 PRO 67 -9.119 -4.866 -7.110 511 H SER 68 HN SER 68 -4.478 -2.281 -7.057 512 HA SER 68 HA SER 68 -5.381 0.552 -6.786 513 1HB SER 68 HB2 SER 68 -4.023 0.577 -4.871 514 2HB SER 68 HB1 SER 68 -4.620 -1.079 -4.899 515 HG SER 68 HG SER 68 -2.567 -1.280 -6.336 516 H SER 69 HN SER 69 -3.045 1.833 -6.422 517 HA SER 69 HA SER 69 -1.130 1.352 -8.601 518 1HB SER 69 HB2 SER 69 -3.191 3.569 -8.547 519 2HB SER 69 HB1 SER 69 -1.691 3.728 -9.456 520 HG SER 69 HG SER 69 -3.529 2.850 -10.639 521 H VAL 70 HN VAL 70 0.092 3.861 -8.534 522 HA VAL 70 HA VAL 70 0.492 4.358 -5.626 523 HB VAL 70 HB VAL 70 2.039 2.722 -6.826 524 1HG1 VAL 70 HG13 VAL 70 2.178 4.670 -8.719 525 2HG1 VAL 70 HG12 VAL 70 3.626 5.039 -7.781 526 3HG1 VAL 70 HG11 VAL 70 3.423 3.441 -8.499 527 1HG2 VAL 70 HG22 VAL 70 2.638 4.924 -4.993 528 2HG2 VAL 70 HG21 VAL 70 3.140 3.237 -4.906 529 3HG2 VAL 70 HG23 VAL 70 4.066 4.384 -5.872 530 H LYS 71 HN LYS 71 1.566 6.433 -5.157 531 HA LYS 71 HA LYS 71 1.152 8.413 -7.382 532 1HB LYS 71 HB2 LYS 71 0.868 9.245 -4.535 533 2HB LYS 71 HB1 LYS 71 -0.057 9.759 -5.945 534 1HG LYS 71 HG2 LYS 71 -1.196 7.559 -5.983 535 2HG LYS 71 HG1 LYS 71 -0.297 7.083 -4.541 536 1HD LYS 71 HD2 LYS 71 -1.558 8.379 -3.163 537 2HD LYS 71 HD1 LYS 71 -1.704 9.673 -4.353 538 1HE LYS 71 HE2 LYS 71 -3.094 7.309 -5.293 539 2HE LYS 71 HE1 LYS 71 -3.691 7.783 -3.690 540 1HZ LYS 71 HZ1 LYS 71 -3.246 9.703 -5.910 541 2HZ LYS 71 HZ3 LYS 71 -4.752 8.997 -5.582 542 3HZ LYS 71 HZ2 LYS 71 -4.018 10.003 -4.426 543 H GLN 72 HN GLN 72 3.503 6.968 -6.384 544 HA GLN 72 HA GLN 72 5.353 8.361 -4.861 545 1HB GLN 72 HB2 GLN 72 5.829 6.249 -5.959 546 2HB GLN 72 HB1 GLN 72 5.673 6.995 -7.550 547 1HG GLN 72 HG2 GLN 72 7.573 8.502 -6.032 548 2HG GLN 72 HG1 GLN 72 8.007 6.794 -5.934 549 1HE2 GLN 72 HE22 GLN 72 9.121 8.616 -9.202 550 2HE2 GLN 72 HE21 GLN 72 9.002 9.276 -7.643 No H/Q in entry = 550 Start of MODEL 4 1 1H ALA 1 HT2 ALA 1 16.496 1.384 -0.221 2 2H ALA 1 HT1 ALA 1 17.892 1.967 -0.996 3 3H ALA 1 HT3 ALA 1 17.914 1.665 0.673 4 HA ALA 1 HA ALA 1 17.699 3.983 0.543 5 1HB ALA 1 HB2 ALA 1 16.442 3.135 -1.944 6 2HB ALA 1 HB1 ALA 1 15.519 4.417 -1.161 7 3HB ALA 1 HB3 ALA 1 17.219 4.670 -1.560 8 H THR 2 HN THR 2 15.267 5.276 0.635 9 HA THR 2 HA THR 2 13.389 3.685 2.240 10 HB THR 2 HB THR 2 13.649 6.045 3.627 11 HG1 THR 2 HG1 THR 2 16.277 5.153 3.260 12 1HG2 THR 2 HG22 THR 2 14.491 3.239 3.984 13 2HG2 THR 2 HG21 THR 2 15.282 4.403 5.048 14 3HG2 THR 2 HG23 THR 2 13.524 4.269 5.041 15 H GLN 3 HN GLN 3 12.007 4.068 0.426 16 HA GLN 3 HA GLN 3 11.413 6.939 -0.185 17 1HB GLN 3 HB2 GLN 3 11.411 4.354 -1.653 18 2HB GLN 3 HB1 GLN 3 10.228 5.561 -2.160 19 1HG GLN 3 HG2 GLN 3 12.770 6.840 -1.710 20 2HG GLN 3 HG1 GLN 3 12.983 5.478 -2.810 21 1HE2 GLN 3 HE22 GLN 3 10.511 8.560 -3.967 22 2HE2 GLN 3 HE21 GLN 3 10.769 8.287 -2.312 23 H THR 4 HN THR 4 9.195 7.526 -0.645 24 HA THR 4 HA THR 4 7.164 5.911 0.855 25 HB THR 4 HB THR 4 7.707 7.841 2.166 26 HG1 THR 4 HG1 THR 4 5.800 9.176 1.808 27 1HG2 THR 4 HG22 THR 4 7.585 9.363 -0.450 28 2HG2 THR 4 HG21 THR 4 7.745 10.125 1.133 29 3HG2 THR 4 HG23 THR 4 9.018 9.062 0.532 30 H VAL 5 HN VAL 5 5.099 5.841 -0.144 31 HA VAL 5 HA VAL 5 4.617 7.348 -2.675 32 HB VAL 5 HB VAL 5 4.263 4.392 -2.802 33 1HG1 VAL 5 HG13 VAL 5 3.645 5.923 -4.648 34 2HG1 VAL 5 HG12 VAL 5 5.322 6.457 -4.746 35 3HG1 VAL 5 HG11 VAL 5 4.907 4.790 -5.133 36 1HG2 VAL 5 HG22 VAL 5 6.538 4.655 -1.789 37 2HG2 VAL 5 HG21 VAL 5 6.601 4.002 -3.426 38 3HG2 VAL 5 HG23 VAL 5 6.985 5.699 -3.138 39 H THR 6 HN THR 6 2.390 7.118 -3.350 40 HA THR 6 HA THR 6 0.588 6.313 -1.118 41 HB THR 6 HB THR 6 -0.925 7.760 -2.809 42 HG1 THR 6 HG1 THR 6 0.770 9.476 -3.417 43 1HG2 THR 6 HG22 THR 6 0.948 8.507 -0.625 44 2HG2 THR 6 HG21 THR 6 0.239 9.826 -1.557 45 3HG2 THR 6 HG23 THR 6 -0.805 8.683 -0.711 46 H LEU 7 HN LEU 7 -1.324 5.027 -1.820 47 HA LEU 7 HA LEU 7 -0.860 3.728 -4.475 48 1HB LEU 7 HB2 LEU 7 -0.794 2.685 -1.757 49 2HB LEU 7 HB1 LEU 7 -1.942 1.800 -2.758 50 HG LEU 7 HG LEU 7 -0.277 1.263 -4.359 51 1HD1 LEU 7 HD12 LEU 7 1.318 3.399 -2.991 52 2HD1 LEU 7 HD11 LEU 7 2.118 2.153 -3.951 53 3HD1 LEU 7 HD13 LEU 7 0.938 3.221 -4.698 54 1HD2 LEU 7 HD23 LEU 7 -0.114 -0.015 -2.196 55 2HD2 LEU 7 HD22 LEU 7 1.411 0.069 -3.076 56 3HD2 LEU 7 HD21 LEU 7 1.140 1.115 -1.684 57 H ALA 8 HN ALA 8 -2.742 2.753 -5.413 58 HA ALA 8 HA ALA 8 -5.292 4.086 -4.578 59 1HB ALA 8 HB2 ALA 8 -4.246 4.680 -6.775 60 2HB ALA 8 HB1 ALA 8 -4.407 2.994 -7.268 61 3HB ALA 8 HB3 ALA 8 -5.847 3.963 -6.957 62 H VAL 9 HN VAL 9 -6.360 2.550 -3.345 63 HA VAL 9 HA VAL 9 -6.662 -0.199 -4.510 64 HB VAL 9 HB VAL 9 -5.464 -0.437 -2.482 65 1HG1 VAL 9 HG13 VAL 9 -7.250 1.760 -1.386 66 2HG1 VAL 9 HG12 VAL 9 -6.077 0.867 -0.418 67 3HG1 VAL 9 HG11 VAL 9 -5.529 1.884 -1.750 68 1HG2 VAL 9 HG21 VAL 9 -8.132 -1.268 -2.548 69 2HG2 VAL 9 HG23 VAL 9 -6.888 -1.850 -1.440 70 3HG2 VAL 9 HG22 VAL 9 -7.949 -0.526 -0.958 71 HA PRO 10 HA PRO 10 -10.829 1.791 -4.384 72 1HB PRO 10 HB2 PRO 10 -11.477 0.688 -6.886 73 2HB PRO 10 HB1 PRO 10 -10.898 2.331 -6.592 74 1HG PRO 10 HG2 PRO 10 -9.512 0.140 -7.890 75 2HG PRO 10 HG1 PRO 10 -9.001 1.824 -7.725 76 1HD PRO 10 HD2 PRO 10 -8.032 -0.500 -6.269 77 2HD PRO 10 HD1 PRO 10 -7.446 1.181 -6.182 78 H GLY 11 HN GLY 11 -10.499 -0.431 -2.801 79 1HA GLY 11 HA2 GLY 11 -12.231 -2.555 -3.955 80 2HA GLY 11 HA1 GLY 11 -11.201 -2.745 -2.537 81 H MET 12 HN MET 12 -12.113 -0.040 -1.550 82 HA MET 12 HA MET 12 -13.756 0.796 -0.096 83 1HB MET 12 HB2 MET 12 -15.337 -0.815 -2.115 84 2HB MET 12 HB1 MET 12 -16.122 0.125 -0.849 85 1HG MET 12 HG2 MET 12 -15.319 2.170 -1.700 86 2HG MET 12 HG1 MET 12 -14.057 1.382 -2.649 87 1HE MET 12 HE3 MET 12 -13.949 1.147 -4.561 88 2HE MET 12 HE2 MET 12 -14.989 -0.016 -5.381 89 3HE MET 12 HE1 MET 12 -15.089 1.693 -5.799 90 H THR 13 HN THR 13 -15.495 -2.200 -0.694 91 HA THR 13 HA THR 13 -16.187 -3.872 0.814 92 HB THR 13 HB THR 13 -14.084 -4.494 2.349 93 HG1 THR 13 HG1 THR 13 -12.261 -3.812 0.820 94 1HG2 THR 13 HG21 THR 13 -14.472 -4.847 -0.614 95 2HG2 THR 13 HG23 THR 13 -13.095 -5.577 0.211 96 3HG2 THR 13 HG22 THR 13 -14.736 -6.013 0.683 97 H CYS 14 HN CYS 14 -16.058 -0.824 1.672 98 HA CYS 14 HA CYS 14 -16.692 0.402 3.572 99 1HB CYS 14 HB2 CYS 14 -18.203 -1.919 3.289 100 2HB CYS 14 HB1 CYS 14 -17.743 -1.923 4.992 101 HG CYS 14 HG CYS 14 -19.573 -0.269 5.257 102 H ALA 15 HN ALA 15 -14.967 1.049 4.789 103 HA ALA 15 HA ALA 15 -13.155 0.943 6.320 104 1HB ALA 15 HB3 ALA 15 -15.682 0.489 7.390 105 2HB ALA 15 HB2 ALA 15 -14.688 -0.764 8.132 106 3HB ALA 15 HB1 ALA 15 -14.241 0.933 8.303 107 H ALA 16 HN ALA 16 -13.310 -1.418 4.372 108 HA ALA 16 HA ALA 16 -11.827 -3.399 6.077 109 1HB ALA 16 HB3 ALA 16 -13.889 -3.591 3.951 110 2HB ALA 16 HB2 ALA 16 -12.594 -4.783 3.861 111 3HB ALA 16 HB1 ALA 16 -13.587 -4.665 5.315 112 H CYS 17 HN CYS 17 -12.063 -1.878 2.880 113 HA CYS 17 HA CYS 17 -9.761 -2.876 1.619 114 1HB CYS 17 HB2 CYS 17 -11.707 -0.964 1.200 115 2HB CYS 17 HB1 CYS 17 -10.229 -0.004 1.263 116 HG CYS 17 HG CYS 17 -10.722 -2.328 -0.768 117 HA PRO 18 HA PRO 18 -7.228 0.754 3.589 118 1HB PRO 18 HB2 PRO 18 -8.431 1.652 5.983 119 2HB PRO 18 HB1 PRO 18 -8.363 2.506 4.439 120 1HG PRO 18 HG2 PRO 18 -10.649 1.274 5.727 121 2HG PRO 18 HG1 PRO 18 -10.607 2.274 4.275 122 1HD PRO 18 HD2 PRO 18 -11.003 -0.568 4.448 123 2HD PRO 18 HD1 PRO 18 -10.931 0.426 2.974 124 H ILE 19 HN ILE 19 -8.794 -1.683 5.600 125 HA ILE 19 HA ILE 19 -6.574 -1.621 7.571 126 HB ILE 19 HB ILE 19 -9.192 -3.098 7.257 127 1HG1 ILE 19 HG12 ILE 19 -9.363 -1.975 9.636 128 2HG1 ILE 19 HG11 ILE 19 -8.060 -0.951 9.031 129 1HG2 ILE 19 HG22 ILE 19 -7.078 -3.507 9.395 130 2HG2 ILE 19 HG21 ILE 19 -8.697 -4.207 9.411 131 3HG2 ILE 19 HG23 ILE 19 -7.542 -4.686 8.168 132 1HD1 ILE 19 HD12 ILE 19 -10.050 -1.192 6.983 133 2HD1 ILE 19 HD11 ILE 19 -10.847 -0.731 8.486 134 3HD1 ILE 19 HD13 ILE 19 -9.536 0.258 7.844 135 H THR 20 HN THR 20 -7.881 -3.645 5.019 136 HA THR 20 HA THR 20 -6.097 -5.884 5.407 137 HB THR 20 HB THR 20 -8.078 -4.827 3.427 138 HG1 THR 20 HG1 THR 20 -9.202 -6.487 4.149 139 1HG2 THR 20 HG23 THR 20 -6.111 -7.051 2.913 140 2HG2 THR 20 HG22 THR 20 -7.639 -6.904 2.043 141 3HG2 THR 20 HG21 THR 20 -6.424 -5.630 1.917 142 H VAL 21 HN VAL 21 -6.218 -3.060 3.244 143 HA VAL 21 HA VAL 21 -3.917 -3.690 1.707 144 HB VAL 21 HB VAL 21 -5.195 -1.061 2.517 145 1HG1 VAL 21 HG12 VAL 21 -3.053 -1.758 0.526 146 2HG1 VAL 21 HG11 VAL 21 -4.120 -0.383 0.240 147 3HG1 VAL 21 HG13 VAL 21 -3.100 -0.427 1.678 148 1HG2 VAL 21 HG21 VAL 21 -6.547 -2.873 1.263 149 2HG2 VAL 21 HG23 VAL 21 -6.507 -1.260 0.551 150 3HG2 VAL 21 HG22 VAL 21 -5.485 -2.540 -0.102 151 H LYS 22 HN LYS 22 -4.305 -1.584 4.569 152 HA LYS 22 HA LYS 22 -1.637 -0.771 4.902 153 1HB LYS 22 HB2 LYS 22 -3.723 -0.125 6.204 154 2HB LYS 22 HB1 LYS 22 -3.520 -1.622 7.117 155 1HG LYS 22 HG2 LYS 22 -1.291 -0.915 7.842 156 2HG LYS 22 HG1 LYS 22 -1.423 0.556 6.878 157 1HD LYS 22 HD2 LYS 22 -3.599 0.973 8.259 158 2HD LYS 22 HD1 LYS 22 -2.909 -0.196 9.385 159 1HE LYS 22 HE2 LYS 22 -0.885 1.720 8.579 160 2HE LYS 22 HE1 LYS 22 -2.300 2.550 9.257 161 1HZ LYS 22 HZ3 LYS 22 -1.325 0.096 10.544 162 2HZ LYS 22 HZ2 LYS 22 -0.503 1.553 10.839 163 3HZ LYS 22 HZ1 LYS 22 -2.150 1.411 11.227 164 H LYS 23 HN LYS 23 -3.180 -3.781 6.074 165 HA LYS 23 HA LYS 23 -0.809 -4.781 7.369 166 1HB LYS 23 HB2 LYS 23 -3.476 -5.814 6.494 167 2HB LYS 23 HB1 LYS 23 -2.251 -6.976 7.006 168 1HG LYS 23 HG2 LYS 23 -2.014 -5.163 9.000 169 2HG LYS 23 HG1 LYS 23 -3.720 -4.949 8.604 170 1HD LYS 23 HD2 LYS 23 -4.249 -7.183 9.114 171 2HD LYS 23 HD1 LYS 23 -2.571 -7.710 8.971 172 1HE LYS 23 HE2 LYS 23 -2.979 -5.636 11.028 173 2HE LYS 23 HE1 LYS 23 -3.813 -7.165 11.366 174 1HZ LYS 23 HZ1 LYS 23 -1.675 -8.275 10.663 175 2HZ LYS 23 HZ3 LYS 23 -0.940 -6.750 10.769 176 3HZ LYS 23 HZ2 LYS 23 -1.629 -7.459 12.151 177 H ALA 24 HN ALA 24 -1.877 -4.829 4.066 178 HA ALA 24 HA ALA 24 -0.263 -7.064 3.223 179 1HB ALA 24 HB1 ALA 24 -2.245 -5.269 2.198 180 2HB ALA 24 HB3 ALA 24 -0.878 -5.284 1.084 181 3HB ALA 24 HB2 ALA 24 -1.692 -6.792 1.500 182 H LEU 25 HN LEU 25 -0.017 -3.591 2.407 183 HA LEU 25 HA LEU 25 2.585 -3.647 1.302 184 1HB LEU 25 HB2 LEU 25 1.154 -1.482 2.873 185 2HB LEU 25 HB1 LEU 25 2.486 -1.219 1.746 186 HG LEU 25 HG LEU 25 0.767 -2.692 0.212 187 1HD1 LEU 25 HD13 LEU 25 -0.750 -1.475 2.395 188 2HD1 LEU 25 HD12 LEU 25 -1.335 -1.010 0.797 189 3HD1 LEU 25 HD11 LEU 25 -1.236 -2.715 1.238 190 1HD2 LEU 25 HD23 LEU 25 1.464 0.150 0.569 191 2HD2 LEU 25 HD22 LEU 25 1.498 -0.833 -0.893 192 3HD2 LEU 25 HD21 LEU 25 -0.021 -0.130 -0.335 193 H SER 26 HN SER 26 1.527 -3.487 4.649 194 HA SER 26 HA SER 26 4.147 -2.784 5.737 195 1HB SER 26 HB2 SER 26 2.989 -2.823 7.763 196 2HB SER 26 HB1 SER 26 1.648 -2.586 6.645 197 HG SER 26 HG SER 26 1.120 -4.696 6.824 198 H LYS 27 HN LYS 27 2.392 -5.766 4.986 199 HA LYS 27 HA LYS 27 4.402 -7.418 6.350 200 1HB LYS 27 HB2 LYS 27 2.352 -8.438 6.566 201 2HB LYS 27 HB1 LYS 27 1.731 -7.691 5.099 202 1HG LYS 27 HG2 LYS 27 3.812 -9.857 4.934 203 2HG LYS 27 HG1 LYS 27 2.103 -10.262 5.107 204 1HD LYS 27 HD2 LYS 27 2.374 -8.210 3.118 205 2HD LYS 27 HD1 LYS 27 3.474 -9.534 2.730 206 1HE LYS 27 HE2 LYS 27 0.581 -10.030 3.481 207 2HE LYS 27 HE1 LYS 27 1.096 -9.778 1.801 208 1HZ LYS 27 HZ1 LYS 27 2.865 -11.497 2.286 209 2HZ LYS 27 HZ3 LYS 27 1.990 -11.881 3.687 210 3HZ LYS 27 HZ2 LYS 27 1.274 -12.081 2.160 211 H VAL 28 HN VAL 28 4.210 -5.821 3.430 212 HA VAL 28 HA VAL 28 4.983 -7.457 1.355 213 HB VAL 28 HB VAL 28 5.851 -4.752 2.345 214 1HG1 VAL 28 HG13 VAL 28 7.204 -6.398 0.292 215 2HG1 VAL 28 HG12 VAL 28 6.766 -4.773 -0.236 216 3HG1 VAL 28 HG11 VAL 28 7.797 -4.992 1.178 217 1HG2 VAL 28 HG22 VAL 28 3.605 -5.201 1.288 218 2HG2 VAL 28 HG21 VAL 28 4.567 -3.980 0.455 219 3HG2 VAL 28 HG23 VAL 28 4.455 -5.613 -0.202 220 H GLU 29 HN GLU 29 7.655 -5.748 2.884 221 HA GLU 29 HA GLU 29 9.062 -7.979 3.982 222 1HB GLU 29 HB2 GLU 29 9.276 -8.953 1.869 223 2HB GLU 29 HB1 GLU 29 9.304 -7.395 1.045 224 1HG GLU 29 HG2 GLU 29 11.555 -7.074 1.427 225 2HG GLU 29 HG1 GLU 29 11.543 -8.014 2.919 226 H GLY 30 HN GLY 30 9.688 -5.118 1.920 227 1HA GLY 30 HA2 GLY 30 11.791 -4.248 3.829 228 2HA GLY 30 HA1 GLY 30 11.531 -3.581 2.215 229 H VAL 31 HN VAL 31 8.546 -3.545 2.810 230 HA VAL 31 HA VAL 31 8.217 -0.839 3.511 231 HB VAL 31 HB VAL 31 6.348 -3.161 4.074 232 1HG1 VAL 31 HG13 VAL 31 6.108 -0.211 4.086 233 2HG1 VAL 31 HG12 VAL 31 4.824 -1.062 3.228 234 3HG1 VAL 31 HG11 VAL 31 5.140 -1.422 4.925 235 1HG2 VAL 31 HG22 VAL 31 7.010 -1.632 1.552 236 2HG2 VAL 31 HG21 VAL 31 6.985 -3.378 1.794 237 3HG2 VAL 31 HG23 VAL 31 5.473 -2.473 1.749 238 H SER 32 HN SER 32 8.226 0.262 5.343 239 HA SER 32 HA SER 32 8.341 -1.272 7.920 240 1HB SER 32 HB2 SER 32 10.531 -0.336 6.997 241 2HB SER 32 HB1 SER 32 9.851 1.266 7.255 242 HG SER 32 HG SER 32 9.405 0.214 9.484 243 H LYS 33 HN LYS 33 6.710 1.038 6.097 244 HA LYS 33 HA LYS 33 5.194 1.884 8.499 245 1HB LYS 33 HB2 LYS 33 6.795 3.564 8.657 246 2HB LYS 33 HB1 LYS 33 7.067 3.607 6.920 247 1HG LYS 33 HG2 LYS 33 5.036 4.811 6.533 248 2HG LYS 33 HG1 LYS 33 4.464 4.504 8.174 249 1HD LYS 33 HD2 LYS 33 5.727 6.182 9.067 250 2HD LYS 33 HD1 LYS 33 7.083 5.872 7.982 251 1HE LYS 33 HE2 LYS 33 6.154 8.033 7.378 252 2HE LYS 33 HE1 LYS 33 5.668 6.886 6.113 253 1HZ LYS 33 HZ2 LYS 33 4.028 7.417 8.529 254 2HZ LYS 33 HZ1 LYS 33 3.814 8.264 7.072 255 3HZ LYS 33 HZ3 LYS 33 3.566 6.587 7.119 256 H VAL 34 HN VAL 34 3.125 1.565 7.825 257 HA VAL 34 HA VAL 34 2.434 2.170 4.974 258 HB VAL 34 HB VAL 34 0.852 0.560 6.987 259 1HG1 VAL 34 HG11 VAL 34 0.847 1.008 4.036 260 2HG1 VAL 34 HG13 VAL 34 0.416 -0.601 4.618 261 3HG1 VAL 34 HG12 VAL 34 -0.510 0.805 5.143 262 1HG2 VAL 34 HG21 VAL 34 3.433 -0.052 5.769 263 2HG2 VAL 34 HG23 VAL 34 2.554 -0.929 7.020 264 3HG2 VAL 34 HG22 VAL 34 2.201 -1.231 5.319 265 H ASP 35 HN ASP 35 -0.139 2.724 4.954 266 HA ASP 35 HA ASP 35 -0.978 4.386 7.229 267 1HB ASP 35 HB2 ASP 35 0.785 5.609 5.739 268 2HB ASP 35 HB1 ASP 35 -0.543 5.769 4.590 269 H VAL 36 HN VAL 36 -3.167 5.238 6.887 270 HA VAL 36 HA VAL 36 -4.653 3.690 4.797 271 HB VAL 36 HB VAL 36 -5.624 4.855 7.424 272 1HG1 VAL 36 HG12 VAL 36 -7.180 4.155 5.417 273 2HG1 VAL 36 HG11 VAL 36 -6.802 2.520 5.958 274 3HG1 VAL 36 HG13 VAL 36 -7.588 3.651 7.058 275 1HG2 VAL 36 HG23 VAL 36 -4.085 2.412 6.785 276 2HG2 VAL 36 HG22 VAL 36 -4.270 3.252 8.325 277 3HG2 VAL 36 HG21 VAL 36 -5.522 2.140 7.770 278 H GLY 37 HN GLY 37 -5.896 4.831 3.343 279 1HA GLY 37 HA2 GLY 37 -6.563 7.665 3.930 280 2HA GLY 37 HA1 GLY 37 -5.671 7.315 2.448 281 H PHE 38 HN PHE 38 -8.522 5.950 4.144 282 HA PHE 38 HA PHE 38 -9.791 4.971 1.782 283 1HB PHE 38 HB2 PHE 38 -10.152 4.749 4.447 284 2HB PHE 38 HB1 PHE 38 -11.426 5.912 4.085 285 HD1 PHE 38 HD2 PHE 38 -10.160 3.207 1.829 286 HD2 PHE 38 HD1 PHE 38 -13.368 4.576 4.344 287 HE1 PHE 38 HE2 PHE 38 -11.601 1.378 0.986 288 HE2 PHE 38 HE1 PHE 38 -14.803 2.741 3.500 289 HZ PHE 38 HZ PHE 38 -13.928 1.142 1.827 290 H GLU 39 HN GLU 39 -9.460 8.192 2.983 291 HA GLU 39 HA GLU 39 -11.758 9.548 2.205 292 1HB GLU 39 HB2 GLU 39 -8.876 10.059 2.398 293 2HB GLU 39 HB1 GLU 39 -9.667 11.094 1.209 294 1HG GLU 39 HG2 GLU 39 -11.336 10.926 3.538 295 2HG GLU 39 HG1 GLU 39 -9.701 11.363 4.038 296 H LYS 40 HN LYS 40 -9.418 7.910 0.190 297 HA LYS 40 HA LYS 40 -11.178 8.240 -2.159 298 1HB LYS 40 HB2 LYS 40 -9.164 10.040 -1.729 299 2HB LYS 40 HB1 LYS 40 -8.321 8.815 -2.678 300 1HG LYS 40 HG2 LYS 40 -9.604 9.182 -4.556 301 2HG LYS 40 HG1 LYS 40 -11.022 9.662 -3.623 302 1HD LYS 40 HD2 LYS 40 -10.201 11.650 -4.688 303 2HD LYS 40 HD1 LYS 40 -9.752 11.768 -2.986 304 1HE LYS 40 HE2 LYS 40 -7.482 11.272 -3.423 305 2HE LYS 40 HE1 LYS 40 -7.852 10.576 -5.014 306 1HZ LYS 40 HZ3 LYS 40 -8.831 12.892 -5.491 307 2HZ LYS 40 HZ2 LYS 40 -7.877 13.408 -4.184 308 3HZ LYS 40 HZ1 LYS 40 -7.147 12.704 -5.546 309 H ARG 41 HN ARG 41 -10.698 5.921 -0.697 310 HA ARG 41 HA ARG 41 -9.759 3.740 -0.817 311 1HB ARG 41 HB2 ARG 41 -9.877 4.209 -3.791 312 2HB ARG 41 HB1 ARG 41 -10.344 2.775 -2.881 313 1HG ARG 41 HG2 ARG 41 -11.799 5.421 -2.695 314 2HG ARG 41 HG1 ARG 41 -12.279 4.116 -3.776 315 1HD ARG 41 HD2 ARG 41 -13.427 3.163 -2.071 316 2HD ARG 41 HD1 ARG 41 -11.905 2.980 -1.174 317 HE ARG 41 HE ARG 41 -12.530 5.669 -0.886 318 1HH1 ARG 41 HH21 ARG 41 -14.149 2.671 -0.335 319 2HH1 ARG 41 HH22 ARG 41 -15.069 3.267 1.005 320 1HH2 ARG 41 HH11 ARG 41 -13.721 6.455 0.864 321 2HH2 ARG 41 HH12 ARG 41 -14.824 5.403 1.687 322 H GLU 42 HN GLU 42 -7.642 5.106 -0.190 323 HA GLU 42 HA GLU 42 -5.538 4.277 -2.151 324 1HB GLU 42 HB2 GLU 42 -5.740 6.555 -2.650 325 2HB GLU 42 HB1 GLU 42 -6.175 6.978 -0.996 326 1HG GLU 42 HG2 GLU 42 -3.458 5.827 -1.431 327 2HG GLU 42 HG1 GLU 42 -3.734 7.477 -1.989 328 H ALA 43 HN ALA 43 -3.532 3.682 -1.150 329 HA ALA 43 HA ALA 43 -3.557 3.685 1.862 330 1HB ALA 43 HB3 ALA 43 -3.797 1.488 0.224 331 2HB ALA 43 HB2 ALA 43 -2.048 1.562 0.435 332 3HB ALA 43 HB1 ALA 43 -3.100 1.431 1.844 333 H VAL 44 HN VAL 44 -1.688 4.640 2.723 334 HA VAL 44 HA VAL 44 0.421 5.345 0.723 335 HB VAL 44 HB VAL 44 -0.918 6.628 2.996 336 1HG1 VAL 44 HG12 VAL 44 1.350 6.192 4.004 337 2HG1 VAL 44 HG11 VAL 44 2.063 7.091 2.665 338 3HG1 VAL 44 HG13 VAL 44 0.989 7.907 3.802 339 1HG2 VAL 44 HG22 VAL 44 -0.243 7.159 0.343 340 2HG2 VAL 44 HG21 VAL 44 -1.021 8.272 1.468 341 3HG2 VAL 44 HG23 VAL 44 0.733 8.289 1.282 342 H VAL 45 HN VAL 45 2.584 4.826 1.144 343 HA VAL 45 HA VAL 45 3.105 3.203 3.594 344 HB VAL 45 HB VAL 45 4.479 2.113 1.310 345 1HG1 VAL 45 HG13 VAL 45 3.607 1.150 3.610 346 2HG1 VAL 45 HG12 VAL 45 2.170 0.767 2.661 347 3HG1 VAL 45 HG11 VAL 45 3.738 0.107 2.195 348 1HG2 VAL 45 HG21 VAL 45 2.482 3.175 0.106 349 2HG2 VAL 45 HG23 VAL 45 2.678 1.436 -0.112 350 3HG2 VAL 45 HG22 VAL 45 1.465 2.052 1.010 351 H THR 46 HN THR 46 5.470 2.546 3.571 352 HA THR 46 HA THR 46 7.407 4.466 2.474 353 HB THR 46 HB THR 46 6.498 4.274 5.334 354 HG1 THR 46 HG1 THR 46 7.616 6.499 4.045 355 1HG2 THR 46 HG22 THR 46 9.296 4.339 4.418 356 2HG2 THR 46 HG21 THR 46 8.878 5.628 5.547 357 3HG2 THR 46 HG23 THR 46 8.643 3.942 6.007 358 H PHE 47 HN PHE 47 9.470 3.349 2.337 359 HA PHE 47 HA PHE 47 9.777 0.852 3.843 360 1HB PHE 47 HB2 PHE 47 9.599 -0.576 1.850 361 2HB PHE 47 HB1 PHE 47 8.104 0.327 2.100 362 HD1 PHE 47 HD2 PHE 47 11.293 0.292 0.138 363 HD2 PHE 47 HD1 PHE 47 7.313 1.882 0.503 364 HE1 PHE 47 HE2 PHE 47 11.495 1.298 -2.105 365 HE2 PHE 47 HE1 PHE 47 7.514 2.889 -1.752 366 HZ PHE 47 HZ PHE 47 9.596 2.597 -3.057 367 H ASP 48 HN ASP 48 11.522 -0.519 2.648 368 HA ASP 48 HA ASP 48 13.794 1.318 2.051 369 1HB ASP 48 HB2 ASP 48 13.390 -1.223 3.519 370 2HB ASP 48 HB1 ASP 48 14.856 -1.166 2.539 371 H ASP 49 HN ASP 49 14.145 1.441 -0.122 372 HA ASP 49 HA ASP 49 12.952 -0.289 -2.041 373 1HB ASP 49 HB2 ASP 49 13.766 2.027 -2.396 374 2HB ASP 49 HB1 ASP 49 15.427 1.450 -2.255 375 H THR 50 HN THR 50 15.583 -0.914 0.000 376 HA THR 50 HA THR 50 17.172 -2.565 -1.796 377 HB THR 50 HB THR 50 17.957 -1.369 0.276 378 HG1 THR 50 HG1 THR 50 18.991 -3.275 -0.662 379 1HG2 THR 50 HG22 THR 50 15.789 -2.860 1.409 380 2HG2 THR 50 HG21 THR 50 17.287 -3.360 2.194 381 3HG2 THR 50 HG23 THR 50 16.819 -1.660 2.189 382 H LYS 51 HN LYS 51 14.317 -3.087 0.148 383 HA LYS 51 HA LYS 51 14.473 -6.009 -0.494 384 1HB LYS 51 HB2 LYS 51 14.276 -4.571 2.021 385 2HB LYS 51 HB1 LYS 51 12.908 -5.665 1.815 386 1HG LYS 51 HG2 LYS 51 14.266 -7.562 1.712 387 2HG LYS 51 HG1 LYS 51 15.684 -6.641 1.211 388 1HD LYS 51 HD2 LYS 51 15.913 -7.368 3.552 389 2HD LYS 51 HD1 LYS 51 15.803 -5.610 3.457 390 1HE LYS 51 HE2 LYS 51 13.768 -5.552 4.516 391 2HE LYS 51 HE1 LYS 51 13.213 -7.049 3.741 392 1HZ LYS 51 HZ3 LYS 51 15.001 -8.180 5.115 393 2HZ LYS 51 HZ2 LYS 51 15.068 -6.750 6.030 394 3HZ LYS 51 HZ1 LYS 51 13.627 -7.647 5.956 395 H ALA 52 HN ALA 52 12.745 -3.141 -0.894 396 HA ALA 52 HA ALA 52 10.454 -4.594 -2.056 397 1HB ALA 52 HB3 ALA 52 10.429 -3.085 0.515 398 2HB ALA 52 HB2 ALA 52 9.044 -2.857 -0.552 399 3HB ALA 52 HB1 ALA 52 9.459 -4.472 0.021 400 H SER 53 HN SER 53 8.735 -2.550 -2.518 401 HA SER 53 HA SER 53 9.804 0.000 -3.192 402 1HB SER 53 HB2 SER 53 11.310 -1.157 -4.663 403 2HB SER 53 HB1 SER 53 10.022 -2.193 -5.270 404 HG SER 53 HG SER 53 9.225 -0.544 -6.428 405 H VAL 54 HN VAL 54 8.314 1.127 -4.820 406 HA VAL 54 HA VAL 54 5.630 0.987 -4.205 407 HB VAL 54 HB VAL 54 6.540 2.738 -5.596 408 1HG1 VAL 54 HG12 VAL 54 8.218 1.146 -6.686 409 2HG1 VAL 54 HG11 VAL 54 6.922 0.688 -7.790 410 3HG1 VAL 54 HG13 VAL 54 7.502 2.353 -7.754 411 1HG2 VAL 54 HG21 VAL 54 4.131 1.641 -6.030 412 2HG2 VAL 54 HG23 VAL 54 4.726 2.982 -7.009 413 3HG2 VAL 54 HG22 VAL 54 4.842 1.331 -7.613 414 H GLN 55 HN GLN 55 7.316 -0.954 -6.682 415 HA GLN 55 HA GLN 55 5.100 -2.245 -7.855 416 1HB GLN 55 HB2 GLN 55 7.861 -2.366 -7.956 417 2HB GLN 55 HB1 GLN 55 7.434 -3.956 -7.322 418 1HG GLN 55 HG2 GLN 55 5.687 -4.043 -9.216 419 2HG GLN 55 HG1 GLN 55 6.565 -2.685 -9.919 420 1HE2 GLN 55 HE22 GLN 55 9.556 -4.688 -10.486 421 2HE2 GLN 55 HE21 GLN 55 9.114 -3.139 -9.951 422 H LYS 56 HN LYS 56 6.984 -3.234 -4.977 423 HA LYS 56 HA LYS 56 5.257 -5.497 -4.410 424 1HB LYS 56 HB2 LYS 56 7.296 -4.028 -2.708 425 2HB LYS 56 HB1 LYS 56 6.665 -5.645 -2.394 426 1HG LYS 56 HG2 LYS 56 8.170 -4.841 -4.901 427 2HG LYS 56 HG1 LYS 56 8.880 -5.701 -3.534 428 1HD LYS 56 HD2 LYS 56 7.995 -7.672 -4.193 429 2HD LYS 56 HD1 LYS 56 6.407 -6.952 -4.457 430 1HE LYS 56 HE2 LYS 56 7.139 -6.095 -6.652 431 2HE LYS 56 HE1 LYS 56 8.749 -6.795 -6.390 432 1HZ LYS 56 HZ2 LYS 56 7.172 -8.868 -5.799 433 2HZ LYS 56 HZ1 LYS 56 6.242 -8.118 -7.007 434 3HZ LYS 56 HZ3 LYS 56 7.832 -8.603 -7.342 435 H LEU 57 HN LEU 57 5.044 -2.081 -3.661 436 HA LEU 57 HA LEU 57 3.416 -2.438 -1.259 437 1HB LEU 57 HB2 LEU 57 3.638 -0.101 -3.189 438 2HB LEU 57 HB1 LEU 57 3.059 -0.030 -1.527 439 HG LEU 57 HG LEU 57 5.861 -0.840 -2.353 440 1HD1 LEU 57 HD13 LEU 57 4.609 1.715 -2.115 441 2HD1 LEU 57 HD12 LEU 57 5.727 1.532 -0.764 442 3HD1 LEU 57 HD11 LEU 57 6.309 1.361 -2.420 443 1HD2 LEU 57 HD21 LEU 57 4.354 -1.106 0.116 444 2HD2 LEU 57 HD23 LEU 57 5.983 -1.675 -0.253 445 3HD2 LEU 57 HD22 LEU 57 5.737 -0.036 0.351 446 H THR 58 HN THR 58 2.679 -1.295 -4.578 447 HA THR 58 HA THR 58 -0.152 -1.479 -4.397 448 HB THR 58 HB THR 58 1.910 -1.614 -6.600 449 HG1 THR 58 HG1 THR 58 1.319 0.363 -5.536 450 1HG2 THR 58 HG22 THR 58 -0.004 -3.054 -7.279 451 2HG2 THR 58 HG21 THR 58 -1.095 -1.698 -6.993 452 3HG2 THR 58 HG23 THR 58 0.122 -1.597 -8.265 453 H LYS 59 HN LYS 59 2.334 -3.913 -5.053 454 HA LYS 59 HA LYS 59 0.516 -5.981 -5.895 455 1HB LYS 59 HB2 LYS 59 2.780 -6.126 -6.586 456 2HB LYS 59 HB1 LYS 59 3.376 -5.807 -4.957 457 1HG LYS 59 HG2 LYS 59 2.915 -7.969 -4.217 458 2HG LYS 59 HG1 LYS 59 1.689 -8.240 -5.456 459 1HD LYS 59 HD2 LYS 59 4.624 -7.893 -6.103 460 2HD LYS 59 HD1 LYS 59 3.888 -9.470 -5.816 461 1HE LYS 59 HE2 LYS 59 2.139 -8.276 -7.624 462 2HE LYS 59 HE1 LYS 59 3.744 -7.781 -8.201 463 1HZ LYS 59 HZ2 LYS 59 3.380 -10.537 -7.269 464 2HZ LYS 59 HZ1 LYS 59 2.775 -10.130 -8.803 465 3HZ LYS 59 HZ3 LYS 59 4.424 -9.931 -8.464 466 H ALA 60 HN ALA 60 1.878 -4.937 -2.808 467 HA ALA 60 HA ALA 60 1.108 -7.211 -1.265 468 1HB ALA 60 HB2 ALA 60 2.313 -4.627 -0.937 469 2HB ALA 60 HB1 ALA 60 1.067 -4.826 0.295 470 3HB ALA 60 HB3 ALA 60 2.372 -6.004 0.164 471 H THR 61 HN THR 61 -0.467 -4.067 -1.864 472 HA THR 61 HA THR 61 -2.846 -4.670 -0.345 473 HB THR 61 HB THR 61 -2.095 -2.388 -0.901 474 HG1 THR 61 HG1 THR 61 -4.103 -1.703 -1.964 475 1HG2 THR 61 HG21 THR 61 -2.494 -3.338 -3.742 476 2HG2 THR 61 HG23 THR 61 -2.373 -1.635 -3.309 477 3HG2 THR 61 HG22 THR 61 -1.015 -2.719 -3.010 478 H ALA 62 HN ALA 62 -1.733 -5.114 -3.585 479 HA ALA 62 HA ALA 62 -4.169 -5.907 -4.856 480 1HB ALA 62 HB2 ALA 62 -1.248 -6.046 -5.299 481 2HB ALA 62 HB1 ALA 62 -2.169 -7.304 -6.123 482 3HB ALA 62 HB3 ALA 62 -2.528 -5.605 -6.429 483 H ASP 63 HN ASP 63 -1.819 -7.567 -2.833 484 HA ASP 63 HA ASP 63 -3.067 -10.208 -3.244 485 1HB ASP 63 HB2 ASP 63 -0.575 -9.680 -2.914 486 2HB ASP 63 HB1 ASP 63 -0.972 -9.352 -1.227 487 H ALA 64 HN ALA 64 -3.478 -7.454 -1.263 488 HA ALA 64 HA ALA 64 -4.508 -8.785 1.117 489 1HB ALA 64 HB1 ALA 64 -3.575 -6.302 0.497 490 2HB ALA 64 HB3 ALA 64 -5.311 -6.011 0.388 491 3HB ALA 64 HB2 ALA 64 -4.611 -6.612 1.890 492 H GLY 65 HN GLY 65 -5.684 -7.769 -1.990 493 1HA GLY 65 HA2 GLY 65 -7.789 -9.144 -2.586 494 2HA GLY 65 HA1 GLY 65 -8.474 -8.399 -1.147 495 H TYR 66 HN TYR 66 -6.359 -6.382 -3.030 496 HA TYR 66 HA TYR 66 -8.700 -5.192 -4.449 497 1HB TYR 66 HB2 TYR 66 -6.740 -3.648 -2.744 498 2HB TYR 66 HB1 TYR 66 -8.209 -3.032 -3.495 499 HD1 TYR 66 HD1 TYR 66 -10.372 -4.510 -2.893 500 HD2 TYR 66 HD2 TYR 66 -6.817 -4.124 -0.543 501 HE1 TYR 66 HE1 TYR 66 -11.654 -5.111 -0.875 502 HE2 TYR 66 HE2 TYR 66 -8.082 -4.711 1.484 503 HH TYR 66 HH TYR 66 -10.086 -5.205 2.339 504 HA PRO 67 HA PRO 67 -5.303 -5.201 -7.478 505 1HB PRO 67 HB2 PRO 67 -7.214 -4.033 -9.306 506 2HB PRO 67 HB1 PRO 67 -6.558 -5.673 -9.325 507 1HG PRO 67 HG2 PRO 67 -9.211 -4.861 -8.614 508 2HG PRO 67 HG1 PRO 67 -8.538 -6.494 -8.594 509 1HD PRO 67 HD2 PRO 67 -9.215 -4.831 -6.333 510 2HD PRO 67 HD1 PRO 67 -8.529 -6.475 -6.314 511 H SER 68 HN SER 68 -4.168 -3.449 -6.463 512 HA SER 68 HA SER 68 -5.299 -0.714 -6.872 513 1HB SER 68 HB2 SER 68 -4.743 -0.576 -4.693 514 2HB SER 68 HB1 SER 68 -3.994 -2.167 -4.759 515 HG SER 68 HG SER 68 -2.731 -0.023 -4.335 516 H SER 69 HN SER 69 -3.104 0.825 -6.652 517 HA SER 69 HA SER 69 -0.960 0.003 -8.495 518 1HB SER 69 HB2 SER 69 -1.842 2.397 -9.610 519 2HB SER 69 HB1 SER 69 -2.120 0.796 -10.289 520 HG SER 69 HG SER 69 -4.008 2.241 -9.815 521 H VAL 70 HN VAL 70 0.048 2.597 -8.930 522 HA VAL 70 HA VAL 70 0.195 3.731 -6.189 523 HB VAL 70 HB VAL 70 1.940 2.021 -6.866 524 1HG1 VAL 70 HG12 VAL 70 2.060 3.674 -9.141 525 2HG1 VAL 70 HG11 VAL 70 3.572 3.959 -8.281 526 3HG1 VAL 70 HG13 VAL 70 3.126 2.322 -8.762 527 1HG2 VAL 70 HG22 VAL 70 2.145 4.456 -5.441 528 2HG2 VAL 70 HG21 VAL 70 3.188 3.045 -5.272 529 3HG2 VAL 70 HG23 VAL 70 3.621 4.335 -6.394 530 H LYS 71 HN LYS 71 1.020 5.942 -6.138 531 HA LYS 71 HA LYS 71 0.850 7.303 -8.813 532 1HB LYS 71 HB2 LYS 71 -0.472 9.077 -7.720 533 2HB LYS 71 HB1 LYS 71 -1.265 7.514 -7.524 534 1HG LYS 71 HG2 LYS 71 0.109 7.392 -5.300 535 2HG LYS 71 HG1 LYS 71 0.227 9.142 -5.489 536 1HD LYS 71 HD2 LYS 71 -2.480 8.333 -6.008 537 2HD LYS 71 HD1 LYS 71 -1.965 7.652 -4.465 538 1HE LYS 71 HE2 LYS 71 -1.907 9.699 -3.459 539 2HE LYS 71 HE1 LYS 71 -1.141 10.461 -4.867 540 1HZ LYS 71 HZ1 LYS 71 -3.398 10.027 -5.986 541 2HZ LYS 71 HZ3 LYS 71 -3.999 9.885 -4.407 542 3HZ LYS 71 HZ2 LYS 71 -3.273 11.336 -4.912 543 H GLN 72 HN GLN 72 3.168 6.474 -7.444 544 HA GLN 72 HA GLN 72 4.673 8.955 -7.415 545 1HB GLN 72 HB2 GLN 72 3.502 7.861 -4.926 546 2HB GLN 72 HB1 GLN 72 5.207 8.301 -4.813 547 1HG GLN 72 HG2 GLN 72 4.012 10.397 -6.246 548 2HG GLN 72 HG1 GLN 72 2.883 10.032 -4.941 549 1HE2 GLN 72 HE22 GLN 72 4.879 11.807 -2.660 550 2HE2 GLN 72 HE21 GLN 72 3.326 11.408 -3.215 No H/Q in entry = 550 Start of MODEL 5 1 1H ALA 1 HT3 ALA 1 17.473 1.397 0.880 2 2H ALA 1 HT2 ALA 1 16.831 1.309 -0.691 3 3H ALA 1 HT1 ALA 1 18.395 1.925 -0.442 4 HA ALA 1 HA ALA 1 17.639 3.925 0.408 5 1HB ALA 1 HB2 ALA 1 16.735 2.904 -2.010 6 2HB ALA 1 HB1 ALA 1 15.272 3.569 -1.285 7 3HB ALA 1 HB3 ALA 1 16.680 4.602 -1.536 8 H THR 2 HN THR 2 15.196 5.069 0.647 9 HA THR 2 HA THR 2 13.422 3.450 2.315 10 HB THR 2 HB THR 2 13.826 5.702 3.832 11 HG1 THR 2 HG1 THR 2 16.420 4.859 3.378 12 1HG2 THR 2 HG21 THR 2 13.995 2.986 4.162 13 2HG2 THR 2 HG23 THR 2 15.652 3.494 4.489 14 3HG2 THR 2 HG22 THR 2 14.321 4.168 5.430 15 H GLN 3 HN GLN 3 11.923 3.984 0.597 16 HA GLN 3 HA GLN 3 11.357 6.910 0.248 17 1HB GLN 3 HB2 GLN 3 10.483 4.587 -1.477 18 2HB GLN 3 HB1 GLN 3 10.546 6.294 -1.919 19 1HG GLN 3 HG2 GLN 3 13.041 6.214 -1.512 20 2HG GLN 3 HG1 GLN 3 12.890 4.465 -1.340 21 1HE2 GLN 3 HE22 GLN 3 12.471 3.887 -4.819 22 2HE2 GLN 3 HE21 GLN 3 12.372 3.210 -3.265 23 H THR 4 HN THR 4 9.030 7.431 -0.265 24 HA THR 4 HA THR 4 7.039 5.707 1.130 25 HB THR 4 HB THR 4 7.876 7.235 2.822 26 HG1 THR 4 HG1 THR 4 5.442 7.083 2.159 27 1HG2 THR 4 HG21 THR 4 8.760 8.833 0.977 28 2HG2 THR 4 HG23 THR 4 7.163 9.576 1.067 29 3HG2 THR 4 HG22 THR 4 8.201 9.540 2.492 30 H VAL 5 HN VAL 5 5.536 5.421 -0.475 31 HA VAL 5 HA VAL 5 4.763 7.756 -2.201 32 HB VAL 5 HB VAL 5 4.116 5.767 -3.717 33 1HG1 VAL 5 HG11 VAL 5 6.940 6.562 -3.036 34 2HG1 VAL 5 HG13 VAL 5 6.588 5.470 -4.375 35 3HG1 VAL 5 HG12 VAL 5 5.947 7.113 -4.386 36 1HG2 VAL 5 HG22 VAL 5 4.362 4.084 -1.854 37 2HG2 VAL 5 HG21 VAL 5 5.245 3.676 -3.326 38 3HG2 VAL 5 HG23 VAL 5 6.104 4.348 -1.939 39 H THR 6 HN THR 6 2.436 7.522 -2.970 40 HA THR 6 HA THR 6 0.737 6.465 -0.757 41 HB THR 6 HB THR 6 -0.877 8.031 -2.217 42 HG1 THR 6 HG1 THR 6 1.640 9.247 -2.582 43 1HG2 THR 6 HG22 THR 6 0.204 8.244 0.199 44 2HG2 THR 6 HG21 THR 6 1.152 9.502 -0.593 45 3HG2 THR 6 HG23 THR 6 -0.607 9.617 -0.555 46 H LEU 7 HN LEU 7 -1.263 5.306 -1.550 47 HA LEU 7 HA LEU 7 -0.882 4.215 -4.304 48 1HB LEU 7 HB2 LEU 7 -0.725 2.957 -1.677 49 2HB LEU 7 HB1 LEU 7 -1.920 2.165 -2.702 50 HG LEU 7 HG LEU 7 -0.325 1.687 -4.377 51 1HD1 LEU 7 HD13 LEU 7 1.356 3.752 -2.996 52 2HD1 LEU 7 HD12 LEU 7 2.076 2.569 -4.088 53 3HD1 LEU 7 HD11 LEU 7 0.855 3.685 -4.680 54 1HD2 LEU 7 HD21 LEU 7 0.569 1.223 -1.582 55 2HD2 LEU 7 HD23 LEU 7 0.262 0.055 -2.868 56 3HD2 LEU 7 HD22 LEU 7 1.777 0.956 -2.838 57 H ALA 8 HN ALA 8 -2.825 3.503 -5.309 58 HA ALA 8 HA ALA 8 -5.282 4.759 -4.135 59 1HB ALA 8 HB1 ALA 8 -4.055 4.495 -6.805 60 2HB ALA 8 HB3 ALA 8 -5.799 4.230 -6.784 61 3HB ALA 8 HB2 ALA 8 -5.129 5.748 -6.184 62 H VAL 9 HN VAL 9 -6.312 3.121 -3.006 63 HA VAL 9 HA VAL 9 -6.701 0.493 -4.395 64 HB VAL 9 HB VAL 9 -5.579 0.128 -2.348 65 1HG1 VAL 9 HG11 VAL 9 -7.340 2.345 -1.294 66 2HG1 VAL 9 HG13 VAL 9 -6.476 1.261 -0.204 67 3HG1 VAL 9 HG12 VAL 9 -5.578 2.272 -1.335 68 1HG2 VAL 9 HG22 VAL 9 -8.311 -0.623 -2.530 69 2HG2 VAL 9 HG21 VAL 9 -7.036 -1.409 -1.602 70 3HG2 VAL 9 HG23 VAL 9 -8.019 -0.150 -0.857 71 HA PRO 10 HA PRO 10 -10.870 2.401 -4.464 72 1HB PRO 10 HB2 PRO 10 -11.478 1.057 -6.846 73 2HB PRO 10 HB1 PRO 10 -10.866 2.709 -6.717 74 1HG PRO 10 HG2 PRO 10 -9.495 0.324 -7.690 75 2HG PRO 10 HG1 PRO 10 -8.995 2.015 -7.802 76 1HD PRO 10 HD2 PRO 10 -7.958 -0.013 -6.036 77 2HD PRO 10 HD1 PRO 10 -7.485 1.700 -6.129 78 H GLY 11 HN GLY 11 -10.078 -0.137 -3.007 79 1HA GLY 11 HA2 GLY 11 -11.795 -2.279 -3.819 80 2HA GLY 11 HA1 GLY 11 -11.113 -2.074 -2.204 81 H MET 12 HN MET 12 -12.177 -0.060 -1.033 82 HA MET 12 HA MET 12 -14.139 0.750 -0.005 83 1HB MET 12 HB2 MET 12 -14.965 0.413 -2.907 84 2HB MET 12 HB1 MET 12 -15.964 1.236 -1.708 85 1HG MET 12 HG2 MET 12 -14.587 3.062 -1.610 86 2HG MET 12 HG1 MET 12 -13.128 2.101 -1.857 87 1HE MET 12 HE2 MET 12 -16.267 3.339 -3.025 88 2HE MET 12 HE1 MET 12 -15.798 4.396 -4.355 89 3HE MET 12 HE3 MET 12 -16.418 2.772 -4.686 90 H THR 13 HN THR 13 -13.673 -1.886 0.442 91 HA THR 13 HA THR 13 -16.062 -3.470 -0.193 92 HB THR 13 HB THR 13 -13.386 -3.921 0.330 93 HG1 THR 13 HG1 THR 13 -14.855 -5.289 -0.762 94 1HG2 THR 13 HG23 THR 13 -14.961 -4.823 2.747 95 2HG2 THR 13 HG22 THR 13 -13.300 -5.278 2.373 96 3HG2 THR 13 HG21 THR 13 -13.694 -3.596 2.733 97 H CYS 14 HN CYS 14 -15.724 -0.919 1.710 98 HA CYS 14 HA CYS 14 -17.099 -0.095 3.428 99 1HB CYS 14 HB2 CYS 14 -18.373 -2.401 2.495 100 2HB CYS 14 HB1 CYS 14 -18.271 -2.644 4.239 101 HG CYS 14 HG CYS 14 -20.437 -1.194 3.523 102 H ALA 15 HN ALA 15 -15.398 0.351 4.825 103 HA ALA 15 HA ALA 15 -14.059 0.130 6.752 104 1HB ALA 15 HB1 ALA 15 -16.428 -0.245 7.546 105 2HB ALA 15 HB3 ALA 15 -16.127 -1.978 7.421 106 3HB ALA 15 HB2 ALA 15 -15.195 -1.001 8.555 107 H ALA 16 HN ALA 16 -13.141 -1.445 4.529 108 HA ALA 16 HA ALA 16 -11.552 -3.412 6.017 109 1HB ALA 16 HB2 ALA 16 -13.980 -4.137 4.563 110 2HB ALA 16 HB1 ALA 16 -12.572 -5.063 4.041 111 3HB ALA 16 HB3 ALA 16 -13.053 -5.071 5.736 112 H CYS 17 HN CYS 17 -12.390 -1.920 2.904 113 HA CYS 17 HA CYS 17 -10.417 -2.950 1.223 114 1HB CYS 17 HB2 CYS 17 -11.704 -1.481 0.075 115 2HB CYS 17 HB1 CYS 17 -12.071 -0.551 1.520 116 HG CYS 17 HG CYS 17 -9.817 0.772 1.153 117 HA PRO 18 HA PRO 18 -7.251 0.246 2.964 118 1HB PRO 18 HB2 PRO 18 -8.078 1.452 5.354 119 2HB PRO 18 HB1 PRO 18 -8.145 2.180 3.746 120 1HG PRO 18 HG2 PRO 18 -10.341 1.221 5.416 121 2HG PRO 18 HG1 PRO 18 -10.400 2.217 3.960 122 1HD PRO 18 HD2 PRO 18 -11.083 -0.561 4.200 123 2HD PRO 18 HD1 PRO 18 -11.049 0.426 2.719 124 H ILE 19 HN ILE 19 -8.900 -2.095 4.831 125 HA ILE 19 HA ILE 19 -6.868 -2.207 6.981 126 HB ILE 19 HB ILE 19 -9.434 -3.656 6.300 127 1HG1 ILE 19 HG12 ILE 19 -9.576 -1.411 7.339 128 2HG1 ILE 19 HG11 ILE 19 -10.154 -2.661 8.443 129 1HG2 ILE 19 HG22 ILE 19 -7.198 -4.534 7.999 130 2HG2 ILE 19 HG21 ILE 19 -8.748 -4.492 8.838 131 3HG2 ILE 19 HG23 ILE 19 -8.563 -5.459 7.374 132 1HD1 ILE 19 HD13 ILE 19 -7.331 -2.402 8.803 133 2HD1 ILE 19 HD12 ILE 19 -8.039 -0.788 8.862 134 3HD1 ILE 19 HD11 ILE 19 -8.614 -2.044 9.959 135 H THR 20 HN THR 20 -8.017 -4.148 4.249 136 HA THR 20 HA THR 20 -6.148 -6.317 4.598 137 HB THR 20 HB THR 20 -8.146 -5.278 2.658 138 HG1 THR 20 HG1 THR 20 -8.875 -6.845 3.934 139 1HG2 THR 20 HG21 THR 20 -6.157 -5.643 1.218 140 2HG2 THR 20 HG23 THR 20 -6.071 -7.307 1.798 141 3HG2 THR 20 HG22 THR 20 -7.465 -6.770 0.861 142 H VAL 21 HN VAL 21 -6.161 -3.208 2.939 143 HA VAL 21 HA VAL 21 -3.750 -3.658 1.421 144 HB VAL 21 HB VAL 21 -5.424 -1.288 2.283 145 1HG1 VAL 21 HG13 VAL 21 -2.905 -0.792 1.911 146 2HG1 VAL 21 HG12 VAL 21 -3.244 -1.132 0.214 147 3HG1 VAL 21 HG11 VAL 21 -4.084 0.182 1.033 148 1HG2 VAL 21 HG22 VAL 21 -5.138 -3.003 -0.158 149 2HG2 VAL 21 HG21 VAL 21 -6.602 -2.417 0.630 150 3HG2 VAL 21 HG23 VAL 21 -5.635 -1.322 -0.357 151 H LYS 22 HN LYS 22 -4.599 -2.139 4.506 152 HA LYS 22 HA LYS 22 -2.155 -1.002 5.282 153 1HB LYS 22 HB2 LYS 22 -4.547 -1.276 6.397 154 2HB LYS 22 HB1 LYS 22 -3.778 -2.643 7.204 155 1HG LYS 22 HG2 LYS 22 -2.581 0.137 7.166 156 2HG LYS 22 HG1 LYS 22 -3.629 -0.443 8.461 157 1HD LYS 22 HD2 LYS 22 -2.003 -2.458 8.593 158 2HD LYS 22 HD1 LYS 22 -0.897 -1.442 7.667 159 1HE LYS 22 HE2 LYS 22 -1.037 0.315 9.396 160 2HE LYS 22 HE1 LYS 22 -2.161 -0.692 10.330 161 1HZ LYS 22 HZ3 LYS 22 -0.430 -2.481 10.195 162 2HZ LYS 22 HZ2 LYS 22 0.649 -1.311 9.601 163 3HZ LYS 22 HZ1 LYS 22 -0.006 -1.152 11.161 164 H LYS 23 HN LYS 23 -3.235 -4.382 5.813 165 HA LYS 23 HA LYS 23 -0.638 -5.199 6.853 166 1HB LYS 23 HB2 LYS 23 -2.966 -6.843 5.829 167 2HB LYS 23 HB1 LYS 23 -1.713 -7.381 6.948 168 1HG LYS 23 HG2 LYS 23 -2.898 -4.964 7.960 169 2HG LYS 23 HG1 LYS 23 -4.175 -6.123 7.585 170 1HD LYS 23 HD2 LYS 23 -1.705 -6.792 9.206 171 2HD LYS 23 HD1 LYS 23 -3.264 -6.363 9.912 172 1HE LYS 23 HE2 LYS 23 -3.236 -8.533 7.848 173 2HE LYS 23 HE1 LYS 23 -2.633 -8.921 9.472 174 1HZ LYS 23 HZ2 LYS 23 -4.733 -7.555 10.177 175 2HZ LYS 23 HZ1 LYS 23 -5.305 -8.029 8.649 176 3HZ LYS 23 HZ3 LYS 23 -4.869 -9.204 9.791 177 H ALA 24 HN ALA 24 -2.130 -5.115 3.717 178 HA ALA 24 HA ALA 24 -0.592 -7.077 2.374 179 1HB ALA 24 HB2 ALA 24 -2.571 -5.157 1.828 180 2HB ALA 24 HB1 ALA 24 -1.238 -4.773 0.739 181 3HB ALA 24 HB3 ALA 24 -1.959 -6.382 0.718 182 H LEU 25 HN LEU 25 -0.127 -3.532 2.354 183 HA LEU 25 HA LEU 25 2.502 -3.719 1.143 184 1HB LEU 25 HB2 LEU 25 1.094 -1.456 2.581 185 2HB LEU 25 HB1 LEU 25 2.402 -1.300 1.406 186 HG LEU 25 HG LEU 25 0.597 -2.853 0.039 187 1HD1 LEU 25 HD11 LEU 25 -0.825 -1.389 2.131 188 2HD1 LEU 25 HD13 LEU 25 -1.416 -1.024 0.511 189 3HD1 LEU 25 HD12 LEU 25 -1.391 -2.692 1.084 190 1HD2 LEU 25 HD23 LEU 25 1.890 -0.732 -0.594 191 2HD2 LEU 25 HD22 LEU 25 0.295 -0.925 -1.320 192 3HD2 LEU 25 HD21 LEU 25 0.515 0.165 0.048 193 H SER 26 HN SER 26 1.309 -3.429 4.469 194 HA SER 26 HA SER 26 3.860 -2.694 5.643 195 1HB SER 26 HB2 SER 26 2.007 -2.290 7.017 196 2HB SER 26 HB1 SER 26 1.203 -3.782 6.544 197 HG SER 26 HG SER 26 3.649 -3.897 7.909 198 H LYS 27 HN LYS 27 2.489 -5.624 4.407 199 HA LYS 27 HA LYS 27 4.695 -7.183 5.676 200 1HB LYS 27 HB2 LYS 27 1.884 -7.845 4.829 201 2HB LYS 27 HB1 LYS 27 3.078 -9.122 5.025 202 1HG LYS 27 HG2 LYS 27 1.717 -8.700 7.093 203 2HG LYS 27 HG1 LYS 27 3.452 -8.506 7.335 204 1HD LYS 27 HD2 LYS 27 3.313 -6.200 7.517 205 2HD LYS 27 HD1 LYS 27 1.846 -6.108 6.540 206 1HE LYS 27 HE2 LYS 27 1.528 -5.691 9.050 207 2HE LYS 27 HE1 LYS 27 0.491 -6.951 8.353 208 1HZ LYS 27 HZ1 LYS 27 3.164 -7.535 9.491 209 2HZ LYS 27 HZ3 LYS 27 1.751 -7.595 10.428 210 3HZ LYS 27 HZ2 LYS 27 1.931 -8.637 9.098 211 H VAL 28 HN VAL 28 3.807 -5.730 2.832 212 HA VAL 28 HA VAL 28 4.106 -7.491 0.723 213 HB VAL 28 HB VAL 28 3.784 -5.006 0.649 214 1HG1 VAL 28 HG13 VAL 28 5.692 -4.584 2.288 215 2HG1 VAL 28 HG12 VAL 28 6.792 -4.860 0.938 216 3HG1 VAL 28 HG11 VAL 28 5.646 -3.521 0.881 217 1HG2 VAL 28 HG23 VAL 28 5.986 -6.252 -1.014 218 2HG2 VAL 28 HG22 VAL 28 4.280 -6.090 -1.433 219 3HG2 VAL 28 HG21 VAL 28 5.311 -4.660 -1.362 220 H GLU 29 HN GLU 29 6.778 -6.078 2.654 221 HA GLU 29 HA GLU 29 8.462 -8.293 2.757 222 1HB GLU 29 HB2 GLU 29 8.222 -7.139 0.083 223 2HB GLU 29 HB1 GLU 29 9.900 -7.218 0.625 224 1HG GLU 29 HG2 GLU 29 8.637 -9.645 1.405 225 2HG GLU 29 HG1 GLU 29 8.228 -9.358 -0.286 226 H GLY 30 HN GLY 30 9.727 -5.429 1.142 227 1HA GLY 30 HA2 GLY 30 11.501 -4.911 3.403 228 2HA GLY 30 HA1 GLY 30 11.476 -4.023 1.882 229 H VAL 31 HN VAL 31 8.338 -3.978 2.732 230 HA VAL 31 HA VAL 31 8.171 -1.244 3.365 231 HB VAL 31 HB VAL 31 6.334 -2.870 2.748 232 1HG1 VAL 31 HG11 VAL 31 7.223 -4.349 4.820 233 2HG1 VAL 31 HG13 VAL 31 5.939 -3.458 5.637 234 3HG1 VAL 31 HG12 VAL 31 5.566 -4.447 4.225 235 1HG2 VAL 31 HG23 VAL 31 6.190 -0.506 4.067 236 2HG2 VAL 31 HG22 VAL 31 4.765 -1.430 3.592 237 3HG2 VAL 31 HG21 VAL 31 5.388 -1.554 5.237 238 H SER 32 HN SER 32 8.258 -0.067 5.168 239 HA SER 32 HA SER 32 9.098 -1.435 7.692 240 1HB SER 32 HB2 SER 32 9.850 1.388 7.132 241 2HB SER 32 HB1 SER 32 10.800 0.108 7.881 242 HG SER 32 HG SER 32 11.193 0.922 5.547 243 H LYS 33 HN LYS 33 6.825 0.587 6.149 244 HA LYS 33 HA LYS 33 5.231 0.858 8.559 245 1HB LYS 33 HB2 LYS 33 6.703 2.447 9.377 246 2HB LYS 33 HB1 LYS 33 7.168 2.995 7.768 247 1HG LYS 33 HG2 LYS 33 5.323 4.393 7.562 248 2HG LYS 33 HG1 LYS 33 4.353 3.446 8.691 249 1HD LYS 33 HD2 LYS 33 4.878 5.316 9.986 250 2HD LYS 33 HD1 LYS 33 6.163 4.196 10.441 251 1HE LYS 33 HE2 LYS 33 7.721 5.648 9.674 252 2HE LYS 33 HE1 LYS 33 6.959 5.644 8.070 253 1HZ LYS 33 HZ2 LYS 33 5.275 7.184 8.942 254 2HZ LYS 33 HZ1 LYS 33 6.108 7.254 10.420 255 3HZ LYS 33 HZ3 LYS 33 6.836 7.851 9.009 256 H VAL 34 HN VAL 34 3.331 0.503 7.417 257 HA VAL 34 HA VAL 34 2.827 2.259 5.045 258 HB VAL 34 HB VAL 34 2.970 -0.352 4.960 259 1HG1 VAL 34 HG11 VAL 34 1.287 -0.460 6.932 260 2HG1 VAL 34 HG13 VAL 34 0.061 -0.099 5.717 261 3HG1 VAL 34 HG12 VAL 34 1.040 -1.559 5.576 262 1HG2 VAL 34 HG23 VAL 34 1.489 1.623 3.531 263 2HG2 VAL 34 HG22 VAL 34 2.122 0.092 2.928 264 3HG2 VAL 34 HG21 VAL 34 0.500 0.166 3.614 265 H ASP 35 HN ASP 35 0.279 2.422 4.698 266 HA ASP 35 HA ASP 35 -1.322 2.573 7.140 267 1HB ASP 35 HB2 ASP 35 0.398 4.737 6.383 268 2HB ASP 35 HB1 ASP 35 -1.274 5.258 6.165 269 H VAL 36 HN VAL 36 -3.539 3.346 6.628 270 HA VAL 36 HA VAL 36 -4.126 3.355 3.689 271 HB VAL 36 HB VAL 36 -6.166 1.993 4.378 272 1HG1 VAL 36 HG13 VAL 36 -3.504 1.233 3.885 273 2HG1 VAL 36 HG12 VAL 36 -4.025 0.236 5.243 274 3HG1 VAL 36 HG11 VAL 36 -4.936 0.216 3.733 275 1HG2 VAL 36 HG23 VAL 36 -5.315 2.718 6.933 276 2HG2 VAL 36 HG22 VAL 36 -6.528 1.495 6.558 277 3HG2 VAL 36 HG21 VAL 36 -4.847 1.023 6.801 278 H GLY 37 HN GLY 37 -6.157 4.453 3.148 279 1HA GLY 37 HA2 GLY 37 -7.373 6.118 5.276 280 2HA GLY 37 HA1 GLY 37 -6.638 6.964 3.912 281 H PHE 38 HN PHE 38 -9.493 5.593 5.028 282 HA PHE 38 HA PHE 38 -10.595 4.652 2.509 283 1HB PHE 38 HB2 PHE 38 -11.203 4.616 5.254 284 2HB PHE 38 HB1 PHE 38 -12.524 5.513 4.505 285 HD1 PHE 38 HD2 PHE 38 -12.254 4.124 1.750 286 HD2 PHE 38 HD1 PHE 38 -12.495 2.628 5.768 287 HE1 PHE 38 HE2 PHE 38 -13.210 2.005 0.903 288 HE2 PHE 38 HE1 PHE 38 -13.453 0.505 4.918 289 HZ PHE 38 HZ PHE 38 -13.831 0.194 2.489 290 H GLU 39 HN GLU 39 -10.468 7.751 4.172 291 HA GLU 39 HA GLU 39 -12.582 9.139 2.925 292 1HB GLU 39 HB2 GLU 39 -11.160 11.127 3.414 293 2HB GLU 39 HB1 GLU 39 -11.194 9.990 4.762 294 1HG GLU 39 HG2 GLU 39 -9.083 9.020 3.337 295 2HG GLU 39 HG1 GLU 39 -8.950 10.745 2.990 296 H LYS 40 HN LYS 40 -9.548 8.036 1.579 297 HA LYS 40 HA LYS 40 -10.305 9.306 -1.026 298 1HB LYS 40 HB2 LYS 40 -8.457 10.453 0.357 299 2HB LYS 40 HB1 LYS 40 -7.476 9.031 0.001 300 1HG LYS 40 HG2 LYS 40 -6.891 10.146 -1.885 301 2HG LYS 40 HG1 LYS 40 -8.479 9.662 -2.481 302 1HD LYS 40 HD2 LYS 40 -8.339 12.117 -0.789 303 2HD LYS 40 HD1 LYS 40 -7.719 12.229 -2.438 304 1HE LYS 40 HE2 LYS 40 -10.119 10.830 -2.730 305 2HE LYS 40 HE1 LYS 40 -10.489 12.086 -1.532 306 1HZ LYS 40 HZ1 LYS 40 -8.999 13.498 -3.162 307 2HZ LYS 40 HZ3 LYS 40 -9.566 12.371 -4.295 308 3HZ LYS 40 HZ2 LYS 40 -10.670 13.322 -3.420 309 H ARG 41 HN ARG 41 -10.247 6.465 0.363 310 HA ARG 41 HA ARG 41 -9.649 4.258 -0.272 311 1HB ARG 41 HB2 ARG 41 -10.926 5.798 -2.330 312 2HB ARG 41 HB1 ARG 41 -9.798 4.676 -3.090 313 1HG ARG 41 HG2 ARG 41 -11.906 3.528 -2.854 314 2HG ARG 41 HG1 ARG 41 -10.795 2.845 -1.666 315 1HD ARG 41 HD2 ARG 41 -12.772 3.221 -0.413 316 2HD ARG 41 HD1 ARG 41 -11.795 4.654 -0.054 317 HE ARG 41 HE ARG 41 -13.211 5.265 -2.402 318 1HH1 ARG 41 HH21 ARG 41 -13.911 4.349 0.856 319 2HH1 ARG 41 HH22 ARG 41 -15.432 5.176 0.897 320 1HH2 ARG 41 HH11 ARG 41 -15.193 6.341 -2.358 321 2HH2 ARG 41 HH12 ARG 41 -16.156 6.301 -0.919 322 H GLU 42 HN GLU 42 -7.321 5.463 0.340 323 HA GLU 42 HA GLU 42 -5.452 4.454 -1.748 324 1HB GLU 42 HB2 GLU 42 -4.237 6.586 -1.738 325 2HB GLU 42 HB1 GLU 42 -5.926 6.883 -2.149 326 1HG GLU 42 HG2 GLU 42 -5.766 8.462 -0.505 327 2HG GLU 42 HG1 GLU 42 -6.051 7.081 0.555 328 H ALA 43 HN ALA 43 -3.389 3.831 -0.826 329 HA ALA 43 HA ALA 43 -3.276 4.022 2.175 330 1HB ALA 43 HB2 ALA 43 -3.141 1.754 0.283 331 2HB ALA 43 HB1 ALA 43 -1.852 1.750 1.485 332 3HB ALA 43 HB3 ALA 43 -3.539 1.753 2.001 333 H VAL 44 HN VAL 44 -1.292 4.793 2.977 334 HA VAL 44 HA VAL 44 0.754 5.461 0.896 335 HB VAL 44 HB VAL 44 -0.392 7.209 2.380 336 1HG1 VAL 44 HG13 VAL 44 0.049 5.484 4.395 337 2HG1 VAL 44 HG12 VAL 44 1.512 6.458 4.544 338 3HG1 VAL 44 HG11 VAL 44 -0.072 7.225 4.655 339 1HG2 VAL 44 HG22 VAL 44 1.940 7.346 1.221 340 2HG2 VAL 44 HG21 VAL 44 1.559 8.528 2.474 341 3HG2 VAL 44 HG23 VAL 44 2.586 7.145 2.850 342 H VAL 45 HN VAL 45 2.714 4.447 0.982 343 HA VAL 45 HA VAL 45 3.279 2.810 3.414 344 HB VAL 45 HB VAL 45 4.166 2.197 0.602 345 1HG1 VAL 45 HG13 VAL 45 4.071 0.819 3.245 346 2HG1 VAL 45 HG12 VAL 45 3.797 -0.165 1.810 347 3HG1 VAL 45 HG11 VAL 45 5.298 0.742 1.981 348 1HG2 VAL 45 HG23 VAL 45 1.463 2.078 1.747 349 2HG2 VAL 45 HG22 VAL 45 1.977 1.931 0.068 350 3HG2 VAL 45 HG21 VAL 45 2.022 0.524 1.129 351 H THR 46 HN THR 46 5.391 2.556 4.020 352 HA THR 46 HA THR 46 7.457 4.348 2.819 353 HB THR 46 HB THR 46 6.569 3.864 5.664 354 HG1 THR 46 HG1 THR 46 6.631 6.060 5.718 355 1HG2 THR 46 HG21 THR 46 9.359 4.317 4.686 356 2HG2 THR 46 HG23 THR 46 8.848 5.137 6.161 357 3HG2 THR 46 HG22 THR 46 8.794 3.377 6.068 358 H PHE 47 HN PHE 47 9.545 3.217 2.673 359 HA PHE 47 HA PHE 47 9.819 0.623 3.965 360 1HB PHE 47 HB2 PHE 47 9.558 -0.710 1.930 361 2HB PHE 47 HB1 PHE 47 8.094 0.231 2.218 362 HD1 PHE 47 HD2 PHE 47 11.262 0.128 0.225 363 HD2 PHE 47 HD1 PHE 47 7.375 1.913 0.699 364 HE1 PHE 47 HE2 PHE 47 11.502 1.226 -1.970 365 HE2 PHE 47 HE1 PHE 47 7.617 3.012 -1.509 366 HZ PHE 47 HZ PHE 47 9.671 2.669 -2.844 367 H ASP 48 HN ASP 48 11.552 -0.693 2.726 368 HA ASP 48 HA ASP 48 13.795 1.187 2.109 369 1HB ASP 48 HB2 ASP 48 13.667 -1.670 3.131 370 2HB ASP 48 HB1 ASP 48 15.175 -0.852 2.724 371 H ASP 49 HN ASP 49 14.239 1.302 -0.037 372 HA ASP 49 HA ASP 49 12.974 -0.353 -1.987 373 1HB ASP 49 HB2 ASP 49 13.648 1.813 -2.607 374 2HB ASP 49 HB1 ASP 49 15.268 1.597 -1.946 375 H THR 50 HN THR 50 15.487 -1.201 0.062 376 HA THR 50 HA THR 50 17.131 -2.745 -1.779 377 HB THR 50 HB THR 50 18.098 -3.561 0.374 378 HG1 THR 50 HG1 THR 50 16.932 -3.440 2.100 379 1HG2 THR 50 HG23 THR 50 18.791 -1.386 -0.596 380 2HG2 THR 50 HG22 THR 50 17.523 -0.585 0.332 381 3HG2 THR 50 HG21 THR 50 18.863 -1.372 1.166 382 H LYS 51 HN LYS 51 14.183 -3.337 0.024 383 HA LYS 51 HA LYS 51 14.260 -6.192 -0.899 384 1HB LYS 51 HB2 LYS 51 13.673 -4.934 1.758 385 2HB LYS 51 HB1 LYS 51 12.841 -6.429 1.327 386 1HG LYS 51 HG2 LYS 51 15.215 -7.286 0.677 387 2HG LYS 51 HG1 LYS 51 15.793 -5.950 1.672 388 1HD LYS 51 HD2 LYS 51 14.145 -6.860 3.463 389 2HD LYS 51 HD1 LYS 51 14.154 -8.338 2.499 390 1HE LYS 51 HE2 LYS 51 16.842 -7.775 2.656 391 2HE LYS 51 HE1 LYS 51 16.260 -7.243 4.246 392 1HZ LYS 51 HZ2 LYS 51 15.036 -9.344 4.430 393 2HZ LYS 51 HZ1 LYS 51 15.706 -9.863 2.958 394 3HZ LYS 51 HZ3 LYS 51 16.710 -9.602 4.300 395 H ALA 52 HN ALA 52 12.707 -3.280 -1.219 396 HA ALA 52 HA ALA 52 10.315 -4.546 -2.378 397 1HB ALA 52 HB1 ALA 52 10.418 -3.353 0.303 398 2HB ALA 52 HB3 ALA 52 9.155 -2.658 -0.713 399 3HB ALA 52 HB2 ALA 52 9.187 -4.395 -0.411 400 H SER 53 HN SER 53 8.719 -2.323 -2.654 401 HA SER 53 HA SER 53 10.021 0.134 -3.275 402 1HB SER 53 HB2 SER 53 11.335 -1.042 -4.869 403 2HB SER 53 HB1 SER 53 9.964 -2.011 -5.402 404 HG SER 53 HG SER 53 10.511 -0.278 -6.841 405 H VAL 54 HN VAL 54 8.583 1.573 -4.523 406 HA VAL 54 HA VAL 54 5.906 1.564 -3.881 407 HB VAL 54 HB VAL 54 7.353 3.282 -5.118 408 1HG1 VAL 54 HG11 VAL 54 6.352 1.663 -7.484 409 2HG1 VAL 54 HG13 VAL 54 7.177 3.218 -7.587 410 3HG1 VAL 54 HG12 VAL 54 8.033 1.804 -6.973 411 1HG2 VAL 54 HG23 VAL 54 4.566 2.840 -5.025 412 2HG2 VAL 54 HG22 VAL 54 5.391 4.375 -5.284 413 3HG2 VAL 54 HG21 VAL 54 4.916 3.385 -6.665 414 H GLN 55 HN GLN 55 7.410 -0.117 -6.625 415 HA GLN 55 HA GLN 55 5.088 -0.982 -7.994 416 1HB GLN 55 HB2 GLN 55 7.511 -1.154 -8.670 417 2HB GLN 55 HB1 GLN 55 7.684 -2.486 -7.528 418 1HG GLN 55 HG2 GLN 55 5.403 -3.107 -9.053 419 2HG GLN 55 HG1 GLN 55 6.599 -2.520 -10.211 420 1HE2 GLN 55 HE22 GLN 55 7.197 -6.182 -9.629 421 2HE2 GLN 55 HE21 GLN 55 5.870 -5.276 -10.176 422 H LYS 56 HN LYS 56 6.908 -2.633 -5.386 423 HA LYS 56 HA LYS 56 5.069 -4.845 -5.169 424 1HB LYS 56 HB2 LYS 56 7.591 -4.202 -4.292 425 2HB LYS 56 HB1 LYS 56 6.656 -4.074 -2.801 426 1HG LYS 56 HG2 LYS 56 7.497 -6.371 -3.097 427 2HG LYS 56 HG1 LYS 56 5.736 -6.338 -3.190 428 1HD LYS 56 HD2 LYS 56 5.795 -7.191 -5.270 429 2HD LYS 56 HD1 LYS 56 6.830 -5.868 -5.809 430 1HE LYS 56 HE2 LYS 56 8.827 -7.064 -5.068 431 2HE LYS 56 HE1 LYS 56 7.827 -8.364 -4.389 432 1HZ LYS 56 HZ3 LYS 56 7.398 -7.555 -7.178 433 2HZ LYS 56 HZ2 LYS 56 8.736 -8.540 -6.821 434 3HZ LYS 56 HZ1 LYS 56 7.164 -9.068 -6.449 435 H LEU 57 HN LEU 57 5.074 -1.593 -3.814 436 HA LEU 57 HA LEU 57 3.312 -2.139 -1.583 437 1HB LEU 57 HB2 LEU 57 3.685 0.380 -3.233 438 2HB LEU 57 HB1 LEU 57 3.079 0.294 -1.582 439 HG LEU 57 HG LEU 57 5.864 -0.522 -2.476 440 1HD1 LEU 57 HD11 LEU 57 4.734 2.010 -2.001 441 2HD1 LEU 57 HD13 LEU 57 5.638 1.622 -0.537 442 3HD1 LEU 57 HD12 LEU 57 6.450 1.620 -2.103 443 1HD2 LEU 57 HD21 LEU 57 4.358 -0.671 0.122 444 2HD2 LEU 57 HD23 LEU 57 5.486 -1.833 -0.577 445 3HD2 LEU 57 HD22 LEU 57 6.091 -0.348 0.158 446 H THR 58 HN THR 58 2.714 -0.634 -4.770 447 HA THR 58 HA THR 58 -0.133 -0.643 -4.637 448 HB THR 58 HB THR 58 1.907 -0.724 -6.878 449 HG1 THR 58 HG1 THR 58 1.970 1.286 -6.332 450 1HG2 THR 58 HG21 THR 58 -1.096 -0.655 -6.980 451 2HG2 THR 58 HG23 THR 58 -0.150 0.167 -8.220 452 3HG2 THR 58 HG22 THR 58 0.027 -1.573 -7.984 453 H LYS 59 HN LYS 59 2.225 -3.112 -5.509 454 HA LYS 59 HA LYS 59 0.301 -4.953 -6.632 455 1HB LYS 59 HB2 LYS 59 2.950 -4.630 -6.834 456 2HB LYS 59 HB1 LYS 59 2.939 -5.801 -5.516 457 1HG LYS 59 HG2 LYS 59 1.345 -7.186 -6.992 458 2HG LYS 59 HG1 LYS 59 1.845 -6.126 -8.311 459 1HD LYS 59 HD2 LYS 59 4.221 -6.703 -7.833 460 2HD LYS 59 HD1 LYS 59 3.670 -7.835 -6.598 461 1HE LYS 59 HE2 LYS 59 2.256 -8.930 -8.450 462 2HE LYS 59 HE1 LYS 59 3.243 -7.993 -9.590 463 1HZ LYS 59 HZ3 LYS 59 5.122 -8.903 -7.948 464 2HZ LYS 59 HZ2 LYS 59 4.016 -10.189 -7.842 465 3HZ LYS 59 HZ1 LYS 59 4.647 -9.730 -9.351 466 H ALA 60 HN ALA 60 1.477 -4.181 -3.447 467 HA ALA 60 HA ALA 60 0.764 -6.668 -2.188 468 1HB ALA 60 HB1 ALA 60 1.746 -3.983 -1.486 469 2HB ALA 60 HB3 ALA 60 0.733 -4.712 -0.239 470 3HB ALA 60 HB2 ALA 60 2.184 -5.546 -0.796 471 H THR 61 HN THR 61 -0.810 -3.476 -2.464 472 HA THR 61 HA THR 61 -3.229 -4.330 -1.090 473 HB THR 61 HB THR 61 -2.465 -1.974 -1.233 474 HG1 THR 61 HG1 THR 61 -4.765 -2.018 -2.812 475 1HG2 THR 61 HG21 THR 61 -2.951 -2.372 -4.195 476 2HG2 THR 61 HG23 THR 61 -2.682 -0.805 -3.435 477 3HG2 THR 61 HG22 THR 61 -1.408 -2.022 -3.416 478 H ALA 62 HN ALA 62 -2.031 -4.153 -4.332 479 HA ALA 62 HA ALA 62 -4.445 -4.736 -5.768 480 1HB ALA 62 HB1 ALA 62 -2.347 -3.846 -6.748 481 2HB ALA 62 HB3 ALA 62 -1.536 -5.368 -6.378 482 3HB ALA 62 HB2 ALA 62 -2.840 -5.329 -7.564 483 H ASP 63 HN ASP 63 -2.039 -6.718 -4.118 484 HA ASP 63 HA ASP 63 -3.301 -9.226 -5.055 485 1HB ASP 63 HB2 ASP 63 -0.826 -8.355 -3.619 486 2HB ASP 63 HB1 ASP 63 -1.395 -10.001 -3.333 487 H ALA 64 HN ALA 64 -3.690 -6.964 -2.561 488 HA ALA 64 HA ALA 64 -4.489 -8.817 -0.441 489 1HB ALA 64 HB1 ALA 64 -3.656 -6.219 -0.582 490 2HB ALA 64 HB3 ALA 64 -5.400 -5.988 -0.465 491 3HB ALA 64 HB2 ALA 64 -4.541 -6.875 0.795 492 H GLY 65 HN GLY 65 -5.917 -7.193 -3.164 493 1HA GLY 65 HA2 GLY 65 -8.056 -8.533 -3.831 494 2HA GLY 65 HA1 GLY 65 -8.638 -8.008 -2.256 495 H TYR 66 HN TYR 66 -6.666 -5.667 -3.872 496 HA TYR 66 HA TYR 66 -9.099 -4.334 -4.979 497 1HB TYR 66 HB2 TYR 66 -7.003 -2.983 -3.267 498 2HB TYR 66 HB1 TYR 66 -8.563 -2.334 -3.763 499 HD1 TYR 66 HD1 TYR 66 -10.596 -3.987 -3.140 500 HD2 TYR 66 HD2 TYR 66 -6.823 -3.718 -1.131 501 HE1 TYR 66 HE1 TYR 66 -11.630 -4.896 -1.092 502 HE2 TYR 66 HE2 TYR 66 -7.843 -4.610 0.918 503 HH TYR 66 HH TYR 66 -10.374 -6.292 1.140 504 HA PRO 67 HA PRO 67 -5.942 -4.020 -8.254 505 1HB PRO 67 HB2 PRO 67 -7.966 -2.486 -9.672 506 2HB PRO 67 HB1 PRO 67 -7.340 -4.092 -10.061 507 1HG PRO 67 HG2 PRO 67 -9.909 -3.447 -8.994 508 2HG PRO 67 HG1 PRO 67 -9.244 -5.054 -9.299 509 1HD PRO 67 HD2 PRO 67 -9.736 -3.805 -6.746 510 2HD PRO 67 HD1 PRO 67 -9.038 -5.415 -7.056 511 H SER 68 HN SER 68 -4.590 -2.495 -7.171 512 HA SER 68 HA SER 68 -5.644 0.283 -6.906 513 1HB SER 68 HB2 SER 68 -4.211 0.437 -5.054 514 2HB SER 68 HB1 SER 68 -4.698 -1.256 -5.021 515 HG SER 68 HG SER 68 -2.768 -1.725 -6.173 516 H SER 69 HN SER 69 -3.469 1.763 -6.713 517 HA SER 69 HA SER 69 -1.630 1.351 -8.993 518 1HB SER 69 HB2 SER 69 -3.917 2.540 -9.581 519 2HB SER 69 HB1 SER 69 -3.192 3.916 -8.753 520 HG SER 69 HG SER 69 -2.834 3.352 -11.202 521 H VAL 70 HN VAL 70 -0.579 3.966 -8.922 522 HA VAL 70 HA VAL 70 0.058 4.397 -6.054 523 HB VAL 70 HB VAL 70 1.527 2.780 -7.376 524 1HG1 VAL 70 HG13 VAL 70 1.542 4.552 -9.327 525 2HG1 VAL 70 HG12 VAL 70 2.881 5.251 -8.416 526 3HG1 VAL 70 HG11 VAL 70 2.986 3.592 -9.005 527 1HG2 VAL 70 HG21 VAL 70 2.129 4.803 -5.437 528 2HG2 VAL 70 HG23 VAL 70 2.888 3.225 -5.636 529 3HG2 VAL 70 HG22 VAL 70 3.522 4.625 -6.501 530 H LYS 71 HN LYS 71 1.200 6.451 -5.646 531 HA LYS 71 HA LYS 71 0.716 8.467 -7.816 532 1HB LYS 71 HB2 LYS 71 0.608 9.322 -4.970 533 2HB LYS 71 HB1 LYS 71 -0.382 9.846 -6.326 534 1HG LYS 71 HG2 LYS 71 -1.142 7.214 -6.059 535 2HG LYS 71 HG1 LYS 71 -0.861 7.689 -4.384 536 1HD LYS 71 HD2 LYS 71 -2.214 9.828 -5.694 537 2HD LYS 71 HD1 LYS 71 -3.078 8.334 -6.056 538 1HE LYS 71 HE2 LYS 71 -2.869 7.835 -3.509 539 2HE LYS 71 HE1 LYS 71 -2.513 9.566 -3.356 540 1HZ LYS 71 HZ3 LYS 71 -4.802 8.592 -4.955 541 2HZ LYS 71 HZ2 LYS 71 -4.952 8.875 -3.287 542 3HZ LYS 71 HZ1 LYS 71 -4.536 10.148 -4.334 543 H GLN 72 HN GLN 72 3.023 6.890 -6.878 544 HA GLN 72 HA GLN 72 4.954 8.362 -5.440 545 1HB GLN 72 HB2 GLN 72 5.219 6.038 -6.107 546 2HB GLN 72 HB1 GLN 72 5.196 6.487 -7.812 547 1HG GLN 72 HG2 GLN 72 7.195 8.094 -6.730 548 2HG GLN 72 HG1 GLN 72 7.413 6.543 -5.918 549 1HE2 GLN 72 HE22 GLN 72 9.008 6.758 -9.450 550 2HE2 GLN 72 HE21 GLN 72 8.897 7.973 -8.271 No H/Q in entry = 550 Start of MODEL 6 1 1H ALA 1 HT1 ALA 1 16.869 2.410 1.778 2 2H ALA 1 HT3 ALA 1 16.865 2.347 0.083 3 3H ALA 1 HT2 ALA 1 18.177 3.050 0.902 4 HA ALA 1 HA ALA 1 17.147 5.021 1.156 5 1HB ALA 1 HB1 ALA 1 16.738 3.901 -1.239 6 2HB ALA 1 HB3 ALA 1 15.052 4.035 -0.739 7 3HB ALA 1 HB2 ALA 1 16.058 5.479 -0.840 8 H THR 2 HN THR 2 14.686 6.036 1.191 9 HA THR 2 HA THR 2 12.865 4.408 2.814 10 HB THR 2 HB THR 2 12.970 6.838 4.115 11 HG1 THR 2 HG1 THR 2 15.104 7.325 4.384 12 1HG2 THR 2 HG21 THR 2 14.022 4.101 4.618 13 2HG2 THR 2 HG23 THR 2 14.530 5.381 5.719 14 3HG2 THR 2 HG22 THR 2 12.815 5.022 5.516 15 H GLN 3 HN GLN 3 11.503 4.651 0.966 16 HA GLN 3 HA GLN 3 10.770 7.462 0.228 17 1HB GLN 3 HB2 GLN 3 10.407 4.805 -1.182 18 2HB GLN 3 HB1 GLN 3 9.961 6.374 -1.855 19 1HG GLN 3 HG2 GLN 3 12.503 6.921 -1.159 20 2HG GLN 3 HG1 GLN 3 12.661 5.188 -1.442 21 1HE2 GLN 3 HE22 GLN 3 13.250 6.610 -4.760 22 2HE2 GLN 3 HE21 GLN 3 14.070 6.397 -3.288 23 H THR 4 HN THR 4 8.509 7.895 -0.302 24 HA THR 4 HA THR 4 6.509 6.169 1.099 25 HB THR 4 HB THR 4 7.059 7.880 2.676 26 HG1 THR 4 HG1 THR 4 4.888 8.890 1.159 27 1HG2 THR 4 HG22 THR 4 6.959 9.778 0.316 28 2HG2 THR 4 HG21 THR 4 7.148 10.286 1.995 29 3HG2 THR 4 HG23 THR 4 8.393 9.302 1.227 30 H VAL 5 HN VAL 5 4.979 5.682 -0.435 31 HA VAL 5 HA VAL 5 4.275 7.738 -2.506 32 HB VAL 5 HB VAL 5 3.853 5.570 -3.829 33 1HG1 VAL 5 HG11 VAL 5 6.610 6.489 -3.009 34 2HG1 VAL 5 HG13 VAL 5 6.333 5.358 -4.330 35 3HG1 VAL 5 HG12 VAL 5 5.689 6.996 -4.424 36 1HG2 VAL 5 HG23 VAL 5 4.240 4.306 -1.501 37 2HG2 VAL 5 HG22 VAL 5 4.635 3.554 -3.047 38 3HG2 VAL 5 HG21 VAL 5 5.905 4.308 -2.084 39 H THR 6 HN THR 6 2.046 7.237 -3.412 40 HA THR 6 HA THR 6 0.232 6.379 -1.209 41 HB THR 6 HB THR 6 -1.334 7.643 -2.980 42 HG1 THR 6 HG1 THR 6 0.232 9.447 -3.650 43 1HG2 THR 6 HG23 THR 6 0.566 8.840 -0.967 44 2HG2 THR 6 HG22 THR 6 -0.648 9.815 -1.794 45 3HG2 THR 6 HG21 THR 6 -1.147 8.474 -0.761 46 H LEU 7 HN LEU 7 -1.658 5.040 -2.024 47 HA LEU 7 HA LEU 7 -0.977 3.625 -4.563 48 1HB LEU 7 HB2 LEU 7 -0.869 2.721 -1.813 49 2HB LEU 7 HB1 LEU 7 -2.032 1.755 -2.724 50 HG LEU 7 HG LEU 7 -0.387 1.179 -4.371 51 1HD1 LEU 7 HD11 LEU 7 1.226 3.330 -3.036 52 2HD1 LEU 7 HD13 LEU 7 2.013 2.061 -3.971 53 3HD1 LEU 7 HD12 LEU 7 0.851 3.129 -4.741 54 1HD2 LEU 7 HD21 LEU 7 -0.242 0.233 -1.884 55 2HD2 LEU 7 HD23 LEU 7 0.953 -0.217 -3.099 56 3HD2 LEU 7 HD22 LEU 7 1.324 1.043 -1.925 57 H ALA 8 HN ALA 8 -2.802 2.594 -5.545 58 HA ALA 8 HA ALA 8 -5.412 3.846 -4.751 59 1HB ALA 8 HB2 ALA 8 -4.332 2.762 -7.372 60 2HB ALA 8 HB1 ALA 8 -5.951 3.431 -7.167 61 3HB ALA 8 HB3 ALA 8 -4.537 4.462 -6.947 62 H VAL 9 HN VAL 9 -6.562 2.351 -3.538 63 HA VAL 9 HA VAL 9 -6.596 -0.486 -4.514 64 HB VAL 9 HB VAL 9 -5.624 -0.512 -2.373 65 1HG1 VAL 9 HG13 VAL 9 -7.600 1.660 -1.610 66 2HG1 VAL 9 HG12 VAL 9 -6.466 0.907 -0.489 67 3HG1 VAL 9 HG11 VAL 9 -5.863 1.854 -1.849 68 1HG2 VAL 9 HG23 VAL 9 -8.616 -0.704 -1.913 69 2HG2 VAL 9 HG22 VAL 9 -7.541 -2.024 -2.371 70 3HG2 VAL 9 HG21 VAL 9 -7.394 -1.276 -0.783 71 HA PRO 10 HA PRO 10 -10.859 0.968 -5.229 72 1HB PRO 10 HB2 PRO 10 -11.271 -1.136 -7.058 73 2HB PRO 10 HB1 PRO 10 -10.805 0.522 -7.450 74 1HG PRO 10 HG2 PRO 10 -9.208 -1.885 -7.642 75 2HG PRO 10 HG1 PRO 10 -8.795 -0.248 -8.160 76 1HD PRO 10 HD2 PRO 10 -7.823 -1.690 -5.839 77 2HD PRO 10 HD1 PRO 10 -7.352 -0.068 -6.406 78 H GLY 11 HN GLY 11 -10.057 -0.999 -3.022 79 1HA GLY 11 HA2 GLY 11 -11.907 -3.227 -3.237 80 2HA GLY 11 HA1 GLY 11 -11.042 -2.739 -1.777 81 H MET 12 HN MET 12 -11.863 -0.600 -0.817 82 HA MET 12 HA MET 12 -13.663 0.458 0.292 83 1HB MET 12 HB2 MET 12 -13.738 0.809 -2.490 84 2HB MET 12 HB1 MET 12 -15.397 0.404 -2.057 85 1HG MET 12 HG2 MET 12 -14.449 2.213 -0.083 86 2HG MET 12 HG1 MET 12 -14.007 2.885 -1.652 87 1HE MET 12 HE3 MET 12 -15.200 4.601 -0.559 88 2HE MET 12 HE2 MET 12 -16.355 5.064 -1.806 89 3HE MET 12 HE1 MET 12 -16.926 4.685 -0.183 90 H THR 13 HN THR 13 -13.595 -2.495 0.196 91 HA THR 13 HA THR 13 -16.187 -3.606 -0.234 92 HB THR 13 HB THR 13 -13.654 -4.437 0.451 93 HG1 THR 13 HG1 THR 13 -14.514 -6.297 -0.041 94 1HG2 THR 13 HG21 THR 13 -15.435 -4.766 2.868 95 2HG2 THR 13 HG23 THR 13 -13.983 -5.725 2.588 96 3HG2 THR 13 HG22 THR 13 -13.859 -3.977 2.792 97 H CYS 14 HN CYS 14 -15.104 -1.335 2.044 98 HA CYS 14 HA CYS 14 -16.464 -0.127 3.579 99 1HB CYS 14 HB2 CYS 14 -18.335 -1.573 2.416 100 2HB CYS 14 HB1 CYS 14 -18.243 -2.517 3.903 101 HG CYS 14 HG CYS 14 -18.506 0.115 4.981 102 H ALA 15 HN ALA 15 -14.854 -0.167 5.125 103 HA ALA 15 HA ALA 15 -14.004 -0.670 7.272 104 1HB ALA 15 HB3 ALA 15 -16.623 -1.627 7.177 105 2HB ALA 15 HB2 ALA 15 -15.688 -3.004 7.761 106 3HB ALA 15 HB1 ALA 15 -15.630 -1.468 8.626 107 H ALA 16 HN ALA 16 -13.116 -2.088 4.702 108 HA ALA 16 HA ALA 16 -11.538 -4.172 6.117 109 1HB ALA 16 HB2 ALA 16 -13.871 -4.746 4.646 110 2HB ALA 16 HB1 ALA 16 -12.524 -5.228 3.613 111 3HB ALA 16 HB3 ALA 16 -12.678 -5.903 5.235 112 H CYS 17 HN CYS 17 -12.226 -2.626 2.949 113 HA CYS 17 HA CYS 17 -9.920 -3.261 1.532 114 1HB CYS 17 HB2 CYS 17 -11.394 -1.965 0.354 115 2HB CYS 17 HB1 CYS 17 -11.771 -0.939 1.729 116 HG CYS 17 HG CYS 17 -9.146 -0.015 1.200 117 HA PRO 18 HA PRO 18 -7.472 0.347 3.644 118 1HB PRO 18 HB2 PRO 18 -8.607 1.070 6.123 119 2HB PRO 18 HB1 PRO 18 -8.664 1.997 4.621 120 1HG PRO 18 HG2 PRO 18 -10.809 0.546 5.950 121 2HG PRO 18 HG1 PRO 18 -10.907 1.671 4.592 122 1HD PRO 18 HD2 PRO 18 -11.180 -1.177 4.515 123 2HD PRO 18 HD1 PRO 18 -11.167 -0.055 3.136 124 H ILE 19 HN ILE 19 -8.874 -2.255 5.571 125 HA ILE 19 HA ILE 19 -6.604 -2.232 7.479 126 HB ILE 19 HB ILE 19 -9.144 -3.826 7.094 127 1HG1 ILE 19 HG12 ILE 19 -8.177 -2.083 9.384 128 2HG1 ILE 19 HG11 ILE 19 -9.239 -1.521 8.092 129 1HG2 ILE 19 HG21 ILE 19 -6.794 -4.338 8.903 130 2HG2 ILE 19 HG23 ILE 19 -8.423 -4.773 9.423 131 3HG2 ILE 19 HG22 ILE 19 -7.742 -5.491 7.962 132 1HD1 ILE 19 HD12 ILE 19 -10.417 -3.899 8.978 133 2HD1 ILE 19 HD11 ILE 19 -9.892 -3.091 10.455 134 3HD1 ILE 19 HD13 ILE 19 -10.972 -2.263 9.332 135 H THR 20 HN THR 20 -7.785 -3.972 4.722 136 HA THR 20 HA THR 20 -5.996 -6.242 4.927 137 HB THR 20 HB THR 20 -7.981 -5.037 3.026 138 HG1 THR 20 HG1 THR 20 -9.152 -6.502 3.935 139 1HG2 THR 20 HG22 THR 20 -5.981 -7.194 2.416 140 2HG2 THR 20 HG21 THR 20 -7.548 -7.139 1.606 141 3HG2 THR 20 HG23 THR 20 -6.423 -5.791 1.442 142 H VAL 21 HN VAL 21 -6.142 -3.213 3.057 143 HA VAL 21 HA VAL 21 -3.786 -3.752 1.499 144 HB VAL 21 HB VAL 21 -5.347 -1.272 2.262 145 1HG1 VAL 21 HG12 VAL 21 -2.995 -1.602 0.384 146 2HG1 VAL 21 HG11 VAL 21 -4.106 -0.235 0.299 147 3HG1 VAL 21 HG13 VAL 21 -3.135 -0.494 1.749 148 1HG2 VAL 21 HG22 VAL 21 -5.521 -3.354 0.198 149 2HG2 VAL 21 HG21 VAL 21 -6.745 -2.205 0.740 150 3HG2 VAL 21 HG23 VAL 21 -5.550 -1.718 -0.461 151 H LYS 22 HN LYS 22 -4.405 -1.649 4.316 152 HA LYS 22 HA LYS 22 -1.800 -0.716 4.781 153 1HB LYS 22 HB2 LYS 22 -4.013 -0.185 5.952 154 2HB LYS 22 HB1 LYS 22 -3.732 -1.629 6.926 155 1HG LYS 22 HG2 LYS 22 -1.329 -0.038 6.847 156 2HG LYS 22 HG1 LYS 22 -2.685 0.965 7.361 157 1HD LYS 22 HD2 LYS 22 -3.189 -1.259 8.818 158 2HD LYS 22 HD1 LYS 22 -1.431 -1.359 8.719 159 1HE LYS 22 HE2 LYS 22 -2.007 1.357 9.259 160 2HE LYS 22 HE1 LYS 22 -3.034 0.407 10.351 161 1HZ LYS 22 HZ1 LYS 22 -0.987 -1.011 10.722 162 2HZ LYS 22 HZ3 LYS 22 -0.098 0.237 9.993 163 3HZ LYS 22 HZ2 LYS 22 -0.964 0.536 11.424 164 H LYS 23 HN LYS 23 -3.277 -3.782 5.865 165 HA LYS 23 HA LYS 23 -0.929 -4.696 7.280 166 1HB LYS 23 HB2 LYS 23 -3.499 -5.865 6.252 167 2HB LYS 23 HB1 LYS 23 -2.273 -6.920 6.958 168 1HG LYS 23 HG2 LYS 23 -2.291 -5.102 8.886 169 2HG LYS 23 HG1 LYS 23 -3.909 -4.778 8.261 170 1HD LYS 23 HD2 LYS 23 -4.242 -6.444 9.914 171 2HD LYS 23 HD1 LYS 23 -4.272 -7.325 8.386 172 1HE LYS 23 HE2 LYS 23 -1.717 -7.651 8.762 173 2HE LYS 23 HE1 LYS 23 -2.072 -7.223 10.449 174 1HZ LYS 23 HZ1 LYS 23 -3.975 -8.865 10.249 175 2HZ LYS 23 HZ3 LYS 23 -3.216 -9.432 8.843 176 3HZ LYS 23 HZ2 LYS 23 -2.412 -9.526 10.337 177 H ALA 24 HN ALA 24 -1.979 -4.878 3.970 178 HA ALA 24 HA ALA 24 -0.315 -7.046 3.122 179 1HB ALA 24 HB3 ALA 24 -2.340 -5.428 2.118 180 2HB ALA 24 HB2 ALA 24 -0.943 -5.006 1.129 181 3HB ALA 24 HB1 ALA 24 -1.488 -6.681 1.217 182 H LEU 25 HN LEU 25 -0.005 -3.555 2.395 183 HA LEU 25 HA LEU 25 2.644 -3.666 1.380 184 1HB LEU 25 HB2 LEU 25 1.154 -1.474 2.852 185 2HB LEU 25 HB1 LEU 25 2.526 -1.234 1.765 186 HG LEU 25 HG LEU 25 0.824 -2.799 0.264 187 1HD1 LEU 25 HD12 LEU 25 -0.720 -1.439 2.304 188 2HD1 LEU 25 HD11 LEU 25 -1.186 -0.906 0.688 189 3HD1 LEU 25 HD13 LEU 25 -1.246 -2.620 1.105 190 1HD2 LEU 25 HD22 LEU 25 2.052 -0.297 0.181 191 2HD2 LEU 25 HD21 LEU 25 1.210 -1.094 -1.143 192 3HD2 LEU 25 HD23 LEU 25 0.345 0.044 -0.112 193 H SER 26 HN SER 26 1.440 -3.307 4.683 194 HA SER 26 HA SER 26 4.017 -2.667 5.861 195 1HB SER 26 HB2 SER 26 2.166 -2.037 7.144 196 2HB SER 26 HB1 SER 26 1.277 -3.510 6.767 197 HG SER 26 HG SER 26 2.495 -3.100 8.944 198 H LYS 27 HN LYS 27 2.401 -5.611 4.877 199 HA LYS 27 HA LYS 27 4.215 -7.288 6.471 200 1HB LYS 27 HB2 LYS 27 2.168 -8.329 6.438 201 2HB LYS 27 HB1 LYS 27 1.700 -7.539 4.937 202 1HG LYS 27 HG2 LYS 27 3.814 -9.667 4.880 203 2HG LYS 27 HG1 LYS 27 2.112 -10.128 4.949 204 1HD LYS 27 HD2 LYS 27 2.571 -8.002 3.013 205 2HD LYS 27 HD1 LYS 27 3.536 -9.432 2.649 206 1HE LYS 27 HE2 LYS 27 0.550 -9.504 3.214 207 2HE LYS 27 HE1 LYS 27 1.264 -9.525 1.589 208 1HZ LYS 27 HZ1 LYS 27 2.737 -11.381 2.705 209 2HZ LYS 27 HZ3 LYS 27 1.365 -11.565 3.685 210 3HZ LYS 27 HZ2 LYS 27 1.235 -11.750 2.002 211 H VAL 28 HN VAL 28 4.197 -5.759 3.459 212 HA VAL 28 HA VAL 28 5.300 -7.448 1.573 213 HB VAL 28 HB VAL 28 5.717 -4.598 2.399 214 1HG1 VAL 28 HG12 VAL 28 7.611 -6.168 0.751 215 2HG1 VAL 28 HG11 VAL 28 7.064 -4.658 0.023 216 3HG1 VAL 28 HG13 VAL 28 7.854 -4.642 1.600 217 1HG2 VAL 28 HG23 VAL 28 4.732 -6.035 -0.080 218 2HG2 VAL 28 HG22 VAL 28 3.762 -5.143 1.091 219 3HG2 VAL 28 HG21 VAL 28 4.882 -4.282 0.035 220 H GLU 29 HN GLU 29 7.612 -5.397 3.297 221 HA GLU 29 HA GLU 29 9.112 -7.440 4.615 222 1HB GLU 29 HB2 GLU 29 9.358 -7.220 1.709 223 2HB GLU 29 HB1 GLU 29 10.915 -7.046 2.520 224 1HG GLU 29 HG2 GLU 29 9.808 -9.138 3.904 225 2HG GLU 29 HG1 GLU 29 9.178 -9.413 2.280 226 H GLY 30 HN GLY 30 10.216 -4.897 2.360 227 1HA GLY 30 HA2 GLY 30 11.912 -3.720 4.419 228 2HA GLY 30 HA1 GLY 30 11.691 -3.102 2.780 229 H VAL 31 HN VAL 31 8.635 -3.409 3.521 230 HA VAL 31 HA VAL 31 7.976 -0.710 3.870 231 HB VAL 31 HB VAL 31 6.458 -2.640 3.361 232 1HG1 VAL 31 HG12 VAL 31 7.518 -3.917 5.419 233 2HG1 VAL 31 HG11 VAL 31 6.235 -3.106 6.317 234 3HG1 VAL 31 HG13 VAL 31 5.830 -4.188 4.985 235 1HG2 VAL 31 HG23 VAL 31 5.849 -0.276 4.469 236 2HG2 VAL 31 HG22 VAL 31 4.619 -1.499 4.157 237 3HG2 VAL 31 HG21 VAL 31 5.297 -1.324 5.776 238 H SER 32 HN SER 32 7.857 0.660 5.524 239 HA SER 32 HA SER 32 8.572 -0.353 8.251 240 1HB SER 32 HB2 SER 32 9.412 2.285 7.033 241 2HB SER 32 HB1 SER 32 10.042 1.530 8.494 242 HG SER 32 HG SER 32 11.456 0.686 7.189 243 H LYS 33 HN LYS 33 6.309 1.277 6.338 244 HA LYS 33 HA LYS 33 4.691 1.970 8.657 245 1HB LYS 33 HB2 LYS 33 6.183 3.740 9.018 246 2HB LYS 33 HB1 LYS 33 6.404 4.029 7.294 247 1HG LYS 33 HG2 LYS 33 4.703 5.503 7.255 248 2HG LYS 33 HG1 LYS 33 3.620 4.351 8.040 249 1HD LYS 33 HD2 LYS 33 3.717 5.649 9.881 250 2HD LYS 33 HD1 LYS 33 5.400 5.150 10.055 251 1HE LYS 33 HE2 LYS 33 6.196 7.164 9.321 252 2HE LYS 33 HE1 LYS 33 4.947 7.302 8.067 253 1HZ LYS 33 HZ2 LYS 33 3.315 7.764 9.799 254 2HZ LYS 33 HZ1 LYS 33 4.528 7.678 10.986 255 3HZ LYS 33 HZ3 LYS 33 4.564 8.916 9.828 256 H VAL 34 HN VAL 34 2.878 1.171 7.629 257 HA VAL 34 HA VAL 34 2.136 2.346 4.971 258 HB VAL 34 HB VAL 34 1.387 -0.228 6.393 259 1HG1 VAL 34 HG11 VAL 34 0.459 0.889 3.729 260 2HG1 VAL 34 HG13 VAL 34 0.170 -0.762 4.279 261 3HG1 VAL 34 HG12 VAL 34 -0.545 0.595 5.149 262 1HG2 VAL 34 HG21 VAL 34 3.562 0.485 4.739 263 2HG2 VAL 34 HG23 VAL 34 3.090 -1.140 5.232 264 3HG2 VAL 34 HG22 VAL 34 2.475 -0.463 3.724 265 H ASP 35 HN ASP 35 -0.357 2.502 4.722 266 HA ASP 35 HA ASP 35 -1.968 2.801 7.132 267 1HB ASP 35 HB2 ASP 35 -0.215 4.898 6.441 268 2HB ASP 35 HB1 ASP 35 -1.818 5.441 5.942 269 H VAL 36 HN VAL 36 -4.068 4.137 6.453 270 HA VAL 36 HA VAL 36 -4.805 3.228 3.693 271 HB VAL 36 HB VAL 36 -6.988 2.830 4.589 272 1HG1 VAL 36 HG12 VAL 36 -5.295 1.164 5.255 273 2HG1 VAL 36 HG11 VAL 36 -4.949 2.099 6.711 274 3HG1 VAL 36 HG13 VAL 36 -6.530 1.345 6.501 275 1HG2 VAL 36 HG22 VAL 36 -6.188 4.921 6.436 276 2HG2 VAL 36 HG21 VAL 36 -7.808 4.334 6.059 277 3HG2 VAL 36 HG23 VAL 36 -6.851 3.539 7.309 278 H GLY 37 HN GLY 37 -6.573 4.602 2.699 279 1HA GLY 37 HA2 GLY 37 -6.756 7.384 3.641 280 2HA GLY 37 HA1 GLY 37 -5.919 7.165 2.102 281 H PHE 38 HN PHE 38 -8.953 6.178 3.720 282 HA PHE 38 HA PHE 38 -10.381 5.412 1.407 283 1HB PHE 38 HB2 PHE 38 -10.836 5.978 4.189 284 2HB PHE 38 HB1 PHE 38 -12.143 6.689 3.241 285 HD1 PHE 38 HD2 PHE 38 -10.158 3.715 2.253 286 HD2 PHE 38 HD1 PHE 38 -13.900 5.144 3.800 287 HE1 PHE 38 HE2 PHE 38 -11.151 1.468 1.921 288 HE2 PHE 38 HE1 PHE 38 -14.894 2.896 3.467 289 HZ PHE 38 HZ PHE 38 -13.523 1.057 2.529 290 H GLU 39 HN GLU 39 -9.340 8.566 2.360 291 HA GLU 39 HA GLU 39 -11.256 10.341 1.425 292 1HB GLU 39 HB2 GLU 39 -8.971 10.859 2.325 293 2HB GLU 39 HB1 GLU 39 -8.289 10.381 0.769 294 1HG GLU 39 HG2 GLU 39 -8.536 12.793 0.772 295 2HG GLU 39 HG1 GLU 39 -9.743 12.117 -0.325 296 H LYS 40 HN LYS 40 -9.278 8.115 -0.444 297 HA LYS 40 HA LYS 40 -11.023 8.451 -2.769 298 1HB LYS 40 HB2 LYS 40 -9.191 10.318 -2.663 299 2HB LYS 40 HB1 LYS 40 -8.100 9.030 -3.179 300 1HG LYS 40 HG2 LYS 40 -8.771 9.441 -5.293 301 2HG LYS 40 HG1 LYS 40 -10.340 8.771 -4.843 302 1HD LYS 40 HD2 LYS 40 -10.962 10.883 -5.599 303 2HD LYS 40 HD1 LYS 40 -10.756 11.189 -3.873 304 1HE LYS 40 HE2 LYS 40 -8.268 11.728 -4.528 305 2HE LYS 40 HE1 LYS 40 -8.946 11.960 -6.151 306 1HZ LYS 40 HZ3 LYS 40 -10.500 13.096 -3.985 307 2HZ LYS 40 HZ2 LYS 40 -8.993 13.837 -4.242 308 3HZ LYS 40 HZ1 LYS 40 -10.125 13.747 -5.506 309 H ARG 41 HN ARG 41 -10.704 6.181 -1.330 310 HA ARG 41 HA ARG 41 -9.921 3.936 -1.399 311 1HB ARG 41 HB2 ARG 41 -10.140 4.784 -4.304 312 2HB ARG 41 HB1 ARG 41 -10.062 3.107 -3.761 313 1HG ARG 41 HG2 ARG 41 -12.048 4.406 -2.200 314 2HG ARG 41 HG1 ARG 41 -12.345 4.829 -3.887 315 1HD ARG 41 HD2 ARG 41 -11.831 2.183 -4.178 316 2HD ARG 41 HD1 ARG 41 -12.532 2.184 -2.548 317 HE ARG 41 HE ARG 41 -14.190 3.871 -4.023 318 1HH1 ARG 41 HH21 ARG 41 -13.038 0.625 -4.292 319 2HH1 ARG 41 HH22 ARG 41 -14.470 0.045 -5.074 320 1HH2 ARG 41 HH11 ARG 41 -16.060 3.127 -5.043 321 2HH2 ARG 41 HH12 ARG 41 -16.178 1.461 -5.503 322 H GLU 42 HN GLU 42 -7.724 5.137 -0.643 323 HA GLU 42 HA GLU 42 -5.621 3.985 -2.391 324 1HB GLU 42 HB2 GLU 42 -4.389 6.140 -2.359 325 2HB GLU 42 HB1 GLU 42 -5.972 6.323 -3.115 326 1HG GLU 42 HG2 GLU 42 -6.727 7.696 -1.476 327 2HG GLU 42 HG1 GLU 42 -6.000 6.717 -0.200 328 H ALA 43 HN ALA 43 -3.674 3.495 -1.231 329 HA ALA 43 HA ALA 43 -3.901 3.804 1.752 330 1HB ALA 43 HB3 ALA 43 -2.717 1.628 -0.018 331 2HB ALA 43 HB2 ALA 43 -2.447 1.694 1.722 332 3HB ALA 43 HB1 ALA 43 -4.079 1.474 1.093 333 H VAL 44 HN VAL 44 -2.005 4.620 2.806 334 HA VAL 44 HA VAL 44 0.060 5.703 0.928 335 HB VAL 44 HB VAL 44 -1.343 7.162 2.500 336 1HG1 VAL 44 HG11 VAL 44 -0.787 5.283 4.358 337 2HG1 VAL 44 HG13 VAL 44 0.516 6.421 4.700 338 3HG1 VAL 44 HG12 VAL 44 -1.164 6.954 4.776 339 1HG2 VAL 44 HG23 VAL 44 1.186 7.469 1.579 340 2HG2 VAL 44 HG22 VAL 44 0.381 8.676 2.583 341 3HG2 VAL 44 HG21 VAL 44 1.496 7.521 3.314 342 H VAL 45 HN VAL 45 2.080 4.800 0.994 343 HA VAL 45 HA VAL 45 2.711 3.086 3.364 344 HB VAL 45 HB VAL 45 3.480 2.691 0.463 345 1HG1 VAL 45 HG11 VAL 45 3.839 1.129 3.009 346 2HG1 VAL 45 HG13 VAL 45 3.746 0.286 1.463 347 3HG1 VAL 45 HG12 VAL 45 5.019 1.474 1.745 348 1HG2 VAL 45 HG22 VAL 45 0.944 2.431 1.596 349 2HG2 VAL 45 HG21 VAL 45 1.496 1.664 0.109 350 3HG2 VAL 45 HG23 VAL 45 1.595 0.794 1.639 351 H THR 46 HN THR 46 4.881 2.869 3.887 352 HA THR 46 HA THR 46 6.845 4.800 2.762 353 HB THR 46 HB THR 46 5.811 4.472 5.579 354 HG1 THR 46 HG1 THR 46 5.405 6.227 3.848 355 1HG2 THR 46 HG21 THR 46 8.274 4.083 5.636 356 2HG2 THR 46 HG23 THR 46 8.508 5.648 4.858 357 3HG2 THR 46 HG22 THR 46 7.795 5.561 6.468 358 H PHE 47 HN PHE 47 9.017 3.822 2.852 359 HA PHE 47 HA PHE 47 9.370 1.363 4.376 360 1HB PHE 47 HB2 PHE 47 9.371 -0.129 2.413 361 2HB PHE 47 HB1 PHE 47 7.809 0.673 2.593 362 HD1 PHE 47 HD2 PHE 47 11.072 0.853 0.754 363 HD2 PHE 47 HD1 PHE 47 6.961 2.110 0.913 364 HE1 PHE 47 HE2 PHE 47 11.294 1.837 -1.495 365 HE2 PHE 47 HE1 PHE 47 7.185 3.097 -1.349 366 HZ PHE 47 HZ PHE 47 9.344 2.960 -2.555 367 H ASP 48 HN ASP 48 11.248 0.062 3.242 368 HA ASP 48 HA ASP 48 13.428 2.039 2.747 369 1HB ASP 48 HB2 ASP 48 13.640 -0.887 3.513 370 2HB ASP 48 HB1 ASP 48 14.874 0.361 3.691 371 H ASP 49 HN ASP 49 13.875 2.201 0.594 372 HA ASP 49 HA ASP 49 12.850 0.420 -1.382 373 1HB ASP 49 HB2 ASP 49 13.504 2.775 -1.720 374 2HB ASP 49 HB1 ASP 49 15.194 2.342 -1.464 375 H THR 50 HN THR 50 15.432 -0.061 0.754 376 HA THR 50 HA THR 50 17.186 -1.595 -0.998 377 HB THR 50 HB THR 50 17.890 -0.376 1.054 378 HG1 THR 50 HG1 THR 50 18.508 -2.841 1.928 379 1HG2 THR 50 HG21 THR 50 15.932 -2.288 2.274 380 2HG2 THR 50 HG23 THR 50 17.332 -1.783 3.222 381 3HG2 THR 50 HG22 THR 50 16.191 -0.579 2.623 382 H LYS 51 HN LYS 51 14.265 -2.273 0.747 383 HA LYS 51 HA LYS 51 14.628 -5.191 0.168 384 1HB LYS 51 HB2 LYS 51 14.115 -3.717 2.667 385 2HB LYS 51 HB1 LYS 51 13.027 -5.080 2.407 386 1HG LYS 51 HG2 LYS 51 15.934 -5.518 1.888 387 2HG LYS 51 HG1 LYS 51 15.413 -5.400 3.569 388 1HD LYS 51 HD2 LYS 51 13.492 -7.051 2.539 389 2HD LYS 51 HD1 LYS 51 14.899 -7.526 1.586 390 1HE LYS 51 HE2 LYS 51 14.789 -7.403 4.624 391 2HE LYS 51 HE1 LYS 51 14.797 -8.882 3.641 392 1HZ LYS 51 HZ3 LYS 51 16.889 -6.772 3.537 393 2HZ LYS 51 HZ2 LYS 51 17.042 -8.234 4.389 394 3HZ LYS 51 HZ1 LYS 51 16.900 -8.244 2.696 395 H ALA 52 HN ALA 52 12.831 -2.479 -0.523 396 HA ALA 52 HA ALA 52 10.646 -4.044 -1.672 397 1HB ALA 52 HB1 ALA 52 10.371 -3.581 0.954 398 2HB ALA 52 HB3 ALA 52 9.744 -2.045 0.356 399 3HB ALA 52 HB2 ALA 52 8.985 -3.559 -0.136 400 H SER 53 HN SER 53 8.776 -2.148 -2.153 401 HA SER 53 HA SER 53 9.569 0.513 -2.677 402 1HB SER 53 HB2 SER 53 9.937 -0.126 -5.288 403 2HB SER 53 HB1 SER 53 11.265 0.008 -4.139 404 HG SER 53 HG SER 53 11.561 -2.058 -4.325 405 H VAL 54 HN VAL 54 8.179 1.465 -4.552 406 HA VAL 54 HA VAL 54 5.471 1.106 -4.217 407 HB VAL 54 HB VAL 54 7.163 1.787 -6.625 408 1HG1 VAL 54 HG12 VAL 54 4.166 1.558 -6.420 409 2HG1 VAL 54 HG11 VAL 54 4.897 2.752 -7.492 410 3HG1 VAL 54 HG13 VAL 54 5.228 1.036 -7.728 411 1HG2 VAL 54 HG21 VAL 54 6.484 3.168 -4.330 412 2HG2 VAL 54 HG23 VAL 54 6.999 3.913 -5.843 413 3HG2 VAL 54 HG22 VAL 54 5.282 3.739 -5.486 414 H GLN 55 HN GLN 55 7.549 -0.757 -6.443 415 HA GLN 55 HA GLN 55 5.643 -2.311 -7.787 416 1HB GLN 55 HB2 GLN 55 8.193 -2.211 -7.996 417 2HB GLN 55 HB1 GLN 55 8.253 -3.339 -6.641 418 1HG GLN 55 HG2 GLN 55 8.279 -4.801 -8.458 419 2HG GLN 55 HG1 GLN 55 6.554 -4.729 -8.090 420 1HE2 GLN 55 HE22 GLN 55 5.715 -2.960 -11.064 421 2HE2 GLN 55 HE21 GLN 55 5.177 -3.421 -9.522 422 H LYS 56 HN LYS 56 7.182 -3.031 -4.639 423 HA LYS 56 HA LYS 56 5.527 -5.386 -4.198 424 1HB LYS 56 HB2 LYS 56 7.437 -3.770 -2.489 425 2HB LYS 56 HB1 LYS 56 6.707 -5.290 -1.969 426 1HG LYS 56 HG2 LYS 56 8.245 -5.059 -4.559 427 2HG LYS 56 HG1 LYS 56 9.037 -5.451 -3.032 428 1HD LYS 56 HD2 LYS 56 7.105 -7.249 -2.855 429 2HD LYS 56 HD1 LYS 56 7.059 -7.058 -4.609 430 1HE LYS 56 HE2 LYS 56 9.426 -7.629 -4.785 431 2HE LYS 56 HE1 LYS 56 9.569 -7.697 -3.017 432 1HZ LYS 56 HZ2 LYS 56 7.449 -9.257 -3.411 433 2HZ LYS 56 HZ1 LYS 56 8.307 -9.575 -4.842 434 3HZ LYS 56 HZ3 LYS 56 9.038 -9.853 -3.337 435 H LEU 57 HN LEU 57 5.167 -1.959 -3.418 436 HA LEU 57 HA LEU 57 3.355 -2.373 -1.186 437 1HB LEU 57 HB2 LEU 57 3.568 -0.049 -3.127 438 2HB LEU 57 HB1 LEU 57 2.908 0.004 -1.495 439 HG LEU 57 HG LEU 57 5.785 -0.644 -2.197 440 1HD1 LEU 57 HD13 LEU 57 4.326 1.836 -1.839 441 2HD1 LEU 57 HD12 LEU 57 5.584 1.670 -0.615 442 3HD1 LEU 57 HD11 LEU 57 6.004 1.594 -2.326 443 1HD2 LEU 57 HD22 LEU 57 4.197 -1.052 0.196 444 2HD2 LEU 57 HD21 LEU 57 5.878 -1.493 -0.102 445 3HD2 LEU 57 HD23 LEU 57 5.484 0.112 0.513 446 H THR 58 HN THR 58 2.772 -1.295 -4.541 447 HA THR 58 HA THR 58 -0.051 -1.596 -4.522 448 HB THR 58 HB THR 58 1.805 -2.049 -6.874 449 HG1 THR 58 HG1 THR 58 1.264 0.245 -5.361 450 1HG2 THR 58 HG21 THR 58 -0.787 -2.214 -6.980 451 2HG2 THR 58 HG23 THR 58 -0.748 -0.460 -6.804 452 3HG2 THR 58 HG22 THR 58 0.039 -1.225 -8.185 453 H LYS 59 HN LYS 59 2.562 -3.927 -4.938 454 HA LYS 59 HA LYS 59 0.843 -6.026 -5.941 455 1HB LYS 59 HB2 LYS 59 3.283 -5.770 -6.430 456 2HB LYS 59 HB1 LYS 59 3.619 -6.129 -4.736 457 1HG LYS 59 HG2 LYS 59 3.157 -8.353 -4.975 458 2HG LYS 59 HG1 LYS 59 1.849 -8.060 -6.121 459 1HD LYS 59 HD2 LYS 59 4.364 -7.262 -7.292 460 2HD LYS 59 HD1 LYS 59 4.477 -8.923 -6.708 461 1HE LYS 59 HE2 LYS 59 2.743 -9.673 -8.106 462 2HE LYS 59 HE1 LYS 59 2.070 -8.042 -8.303 463 1HZ LYS 59 HZ1 LYS 59 4.830 -8.648 -9.157 464 2HZ LYS 59 HZ3 LYS 59 3.525 -8.989 -10.185 465 3HZ LYS 59 HZ2 LYS 59 3.805 -7.394 -9.672 466 H ALA 60 HN ALA 60 1.871 -4.881 -2.789 467 HA ALA 60 HA ALA 60 1.204 -7.298 -1.366 468 1HB ALA 60 HB3 ALA 60 2.669 -5.153 -0.784 469 2HB ALA 60 HB2 ALA 60 1.143 -4.580 -0.116 470 3HB ALA 60 HB1 ALA 60 1.869 -6.065 0.494 471 H THR 61 HN THR 61 -0.452 -4.172 -1.883 472 HA THR 61 HA THR 61 -2.885 -5.011 -0.536 473 HB THR 61 HB THR 61 -2.126 -2.644 -0.887 474 HG1 THR 61 HG1 THR 61 -4.588 -3.654 -1.528 475 1HG2 THR 61 HG22 THR 61 -2.727 -3.323 -3.775 476 2HG2 THR 61 HG21 THR 61 -2.476 -1.684 -3.176 477 3HG2 THR 61 HG23 THR 61 -1.164 -2.861 -3.101 478 H ALA 62 HN ALA 62 -1.568 -5.072 -3.736 479 HA ALA 62 HA ALA 62 -3.915 -5.807 -5.210 480 1HB ALA 62 HB2 ALA 62 -0.938 -6.073 -5.533 481 2HB ALA 62 HB1 ALA 62 -2.008 -6.836 -6.707 482 3HB ALA 62 HB3 ALA 62 -2.064 -5.090 -6.467 483 H ASP 63 HN ASP 63 -1.533 -7.649 -3.346 484 HA ASP 63 HA ASP 63 -2.782 -10.223 -4.100 485 1HB ASP 63 HB2 ASP 63 -0.239 -9.356 -3.394 486 2HB ASP 63 HB1 ASP 63 -0.801 -10.161 -1.928 487 H ALA 64 HN ALA 64 -3.268 -7.748 -1.842 488 HA ALA 64 HA ALA 64 -4.147 -9.404 0.405 489 1HB ALA 64 HB3 ALA 64 -3.232 -6.899 0.185 490 2HB ALA 64 HB2 ALA 64 -4.949 -6.545 -0.010 491 3HB ALA 64 HB1 ALA 64 -4.373 -7.338 1.456 492 H GLY 65 HN GLY 65 -5.492 -8.021 -2.503 493 1HA GLY 65 HA2 GLY 65 -7.618 -9.446 -3.071 494 2HA GLY 65 HA1 GLY 65 -8.233 -8.738 -1.584 495 H TYR 66 HN TYR 66 -6.226 -6.588 -3.422 496 HA TYR 66 HA TYR 66 -8.636 -5.436 -4.761 497 1HB TYR 66 HB2 TYR 66 -6.661 -3.947 -3.015 498 2HB TYR 66 HB1 TYR 66 -8.066 -3.252 -3.815 499 HD1 TYR 66 HD1 TYR 66 -10.333 -4.620 -3.300 500 HD2 TYR 66 HD2 TYR 66 -6.835 -4.450 -0.839 501 HE1 TYR 66 HE1 TYR 66 -11.708 -5.156 -1.323 502 HE2 TYR 66 HE2 TYR 66 -8.191 -4.971 1.145 503 HH TYR 66 HH TYR 66 -10.479 -6.228 1.536 504 HA PRO 67 HA PRO 67 -5.334 -5.310 -7.904 505 1HB PRO 67 HB2 PRO 67 -7.316 -4.028 -9.586 506 2HB PRO 67 HB1 PRO 67 -6.649 -5.657 -9.742 507 1HG PRO 67 HG2 PRO 67 -9.278 -4.915 -8.865 508 2HG PRO 67 HG1 PRO 67 -8.600 -6.539 -9.002 509 1HD PRO 67 HD2 PRO 67 -9.206 -5.095 -6.590 510 2HD PRO 67 HD1 PRO 67 -8.452 -6.703 -6.729 511 H SER 68 HN SER 68 -4.118 -3.623 -6.916 512 HA SER 68 HA SER 68 -5.320 -0.895 -6.957 513 1HB SER 68 HB2 SER 68 -3.711 -0.463 -5.180 514 2HB SER 68 HB1 SER 68 -4.548 -1.975 -4.841 515 HG SER 68 HG SER 68 -2.606 -2.793 -6.213 516 H SER 69 HN SER 69 -3.102 0.631 -6.722 517 HA SER 69 HA SER 69 -1.162 0.134 -8.877 518 1HB SER 69 HB2 SER 69 -3.639 1.426 -9.361 519 2HB SER 69 HB1 SER 69 -2.430 2.706 -9.304 520 HG SER 69 HG SER 69 -2.917 1.210 -11.323 521 H VAL 70 HN VAL 70 -0.171 2.729 -9.058 522 HA VAL 70 HA VAL 70 0.184 3.593 -6.237 523 HB VAL 70 HB VAL 70 1.839 1.893 -7.207 524 1HG1 VAL 70 HG12 VAL 70 1.964 3.248 -9.395 525 2HG1 VAL 70 HG11 VAL 70 3.035 4.339 -8.515 526 3HG1 VAL 70 HG13 VAL 70 3.486 2.648 -8.736 527 1HG2 VAL 70 HG22 VAL 70 2.204 4.208 -5.534 528 2HG2 VAL 70 HG21 VAL 70 3.013 2.644 -5.428 529 3HG2 VAL 70 HG23 VAL 70 3.688 3.918 -6.442 530 H LYS 71 HN LYS 71 1.047 5.782 -6.014 531 HA LYS 71 HA LYS 71 0.723 7.416 -8.513 532 1HB LYS 71 HB2 LYS 71 0.107 8.420 -5.745 533 2HB LYS 71 HB1 LYS 71 -0.529 8.994 -7.284 534 1HG LYS 71 HG2 LYS 71 -1.258 6.277 -7.120 535 2HG LYS 71 HG1 LYS 71 -1.591 6.964 -5.530 536 1HD LYS 71 HD2 LYS 71 -2.374 8.674 -7.801 537 2HD LYS 71 HD1 LYS 71 -3.271 7.161 -7.681 538 1HE LYS 71 HE2 LYS 71 -3.458 7.822 -5.123 539 2HE LYS 71 HE1 LYS 71 -3.175 9.459 -5.749 540 1HZ LYS 71 HZ2 LYS 71 -4.914 9.019 -7.428 541 2HZ LYS 71 HZ1 LYS 71 -5.259 7.544 -6.657 542 3HZ LYS 71 HZ3 LYS 71 -5.517 9.008 -5.840 543 H GLN 72 HN GLN 72 2.994 6.204 -7.133 544 HA GLN 72 HA GLN 72 4.591 8.092 -5.711 545 1HB GLN 72 HB2 GLN 72 6.436 6.597 -6.389 546 2HB GLN 72 HB1 GLN 72 5.017 5.655 -5.930 547 1HG GLN 72 HG2 GLN 72 4.774 4.814 -8.014 548 2HG GLN 72 HG1 GLN 72 5.015 6.393 -8.763 549 1HE2 GLN 72 HE22 GLN 72 8.706 5.917 -8.570 550 2HE2 GLN 72 HE21 GLN 72 7.602 7.065 -7.983 No H/Q in entry = 550 Start of MODEL 7 1 1H ALA 1 HT3 ALA 1 16.861 1.966 0.750 2 2H ALA 1 HT2 ALA 1 16.676 2.322 -0.900 3 3H ALA 1 HT1 ALA 1 18.125 2.709 -0.102 4 HA ALA 1 HA ALA 1 17.320 4.622 0.744 5 1HB ALA 1 HB3 ALA 1 16.775 4.465 -1.730 6 2HB ALA 1 HB2 ALA 1 15.132 4.020 -1.267 7 3HB ALA 1 HB1 ALA 1 15.773 5.604 -0.831 8 H THR 2 HN THR 2 14.923 5.756 1.208 9 HA THR 2 HA THR 2 13.175 3.903 2.689 10 HB THR 2 HB THR 2 13.507 6.072 4.363 11 HG1 THR 2 HG1 THR 2 15.291 6.830 3.318 12 1HG2 THR 2 HG23 THR 2 14.270 3.248 4.300 13 2HG2 THR 2 HG22 THR 2 15.295 4.221 5.355 14 3HG2 THR 2 HG21 THR 2 13.550 4.186 5.607 15 H GLN 3 HN GLN 3 11.697 4.531 0.965 16 HA GLN 3 HA GLN 3 10.903 7.433 1.027 17 1HB GLN 3 HB2 GLN 3 10.873 5.311 -1.122 18 2HB GLN 3 HB1 GLN 3 10.055 6.862 -1.313 19 1HG GLN 3 HG2 GLN 3 12.379 7.848 -0.555 20 2HG GLN 3 HG1 GLN 3 12.994 6.287 -1.098 21 1HE2 GLN 3 HE22 GLN 3 11.248 7.207 -4.413 22 2HE2 GLN 3 HE21 GLN 3 10.720 6.181 -3.169 23 H THR 4 HN THR 4 8.610 7.876 0.510 24 HA THR 4 HA THR 4 6.739 5.716 1.408 25 HB THR 4 HB THR 4 7.203 7.229 3.266 26 HG1 THR 4 HG1 THR 4 5.101 6.774 3.314 27 1HG2 THR 4 HG21 THR 4 7.386 9.148 1.155 28 2HG2 THR 4 HG23 THR 4 6.154 9.694 2.292 29 3HG2 THR 4 HG22 THR 4 7.790 9.358 2.859 30 H VAL 5 HN VAL 5 5.177 5.429 -0.128 31 HA VAL 5 HA VAL 5 4.400 7.764 -1.871 32 HB VAL 5 HB VAL 5 5.577 6.363 -3.294 33 1HG1 VAL 5 HG11 VAL 5 4.456 4.074 -1.672 34 2HG1 VAL 5 HG13 VAL 5 5.324 3.833 -3.188 35 3HG1 VAL 5 HG12 VAL 5 6.142 4.572 -1.812 36 1HG2 VAL 5 HG23 VAL 5 2.773 5.230 -3.339 37 2HG2 VAL 5 HG22 VAL 5 3.316 6.682 -4.180 38 3HG2 VAL 5 HG21 VAL 5 3.950 5.108 -4.645 39 H THR 6 HN THR 6 2.199 7.296 -2.853 40 HA THR 6 HA THR 6 0.435 6.197 -0.716 41 HB THR 6 HB THR 6 -1.177 7.629 -2.315 42 HG1 THR 6 HG1 THR 6 0.214 9.491 -2.918 43 1HG2 THR 6 HG21 THR 6 -0.193 7.954 0.156 44 2HG2 THR 6 HG23 THR 6 0.625 9.297 -0.642 45 3HG2 THR 6 HG22 THR 6 -1.137 9.208 -0.650 46 H LEU 7 HN LEU 7 -1.490 4.990 -1.592 47 HA LEU 7 HA LEU 7 -0.932 3.809 -4.274 48 1HB LEU 7 HB2 LEU 7 -0.821 2.628 -1.622 49 2HB LEU 7 HB1 LEU 7 -2.009 1.794 -2.628 50 HG LEU 7 HG LEU 7 -0.392 1.354 -4.329 51 1HD1 LEU 7 HD13 LEU 7 1.236 3.379 -2.844 52 2HD1 LEU 7 HD12 LEU 7 2.034 2.169 -3.849 53 3HD1 LEU 7 HD11 LEU 7 0.877 3.283 -4.562 54 1HD2 LEU 7 HD23 LEU 7 -0.228 -0.060 -2.239 55 2HD2 LEU 7 HD22 LEU 7 1.269 0.025 -3.167 56 3HD2 LEU 7 HD21 LEU 7 1.082 0.997 -1.712 57 H ALA 8 HN ALA 8 -2.824 3.039 -5.343 58 HA ALA 8 HA ALA 8 -5.333 4.307 -4.301 59 1HB ALA 8 HB1 ALA 8 -4.314 5.058 -6.468 60 2HB ALA 8 HB3 ALA 8 -4.581 3.436 -7.107 61 3HB ALA 8 HB2 ALA 8 -5.956 4.442 -6.652 62 H VAL 9 HN VAL 9 -6.250 2.621 -3.081 63 HA VAL 9 HA VAL 9 -6.791 0.042 -4.522 64 HB VAL 9 HB VAL 9 -5.504 -0.325 -2.524 65 1HG1 VAL 9 HG12 VAL 9 -7.389 1.705 -1.318 66 2HG1 VAL 9 HG11 VAL 9 -6.439 0.619 -0.306 67 3HG1 VAL 9 HG13 VAL 9 -5.629 1.753 -1.386 68 1HG2 VAL 9 HG21 VAL 9 -8.287 -1.114 -2.634 69 2HG2 VAL 9 HG23 VAL 9 -6.901 -2.022 -2.033 70 3HG2 VAL 9 HG22 VAL 9 -7.773 -0.930 -0.958 71 HA PRO 10 HA PRO 10 -10.839 2.217 -4.238 72 1HB PRO 10 HB2 PRO 10 -11.682 0.997 -6.628 73 2HB PRO 10 HB1 PRO 10 -11.007 2.621 -6.462 74 1HG PRO 10 HG2 PRO 10 -9.794 0.266 -7.661 75 2HG PRO 10 HG1 PRO 10 -9.221 1.936 -7.678 76 1HD PRO 10 HD2 PRO 10 -8.193 -0.268 -6.124 77 2HD PRO 10 HD1 PRO 10 -7.627 1.420 -6.140 78 H GLY 11 HN GLY 11 -10.104 -0.513 -3.019 79 1HA GLY 11 HA2 GLY 11 -12.138 -2.391 -3.766 80 2HA GLY 11 HA1 GLY 11 -11.257 -2.396 -2.234 81 H MET 12 HN MET 12 -11.947 0.134 -1.270 82 HA MET 12 HA MET 12 -13.632 0.912 0.232 83 1HB MET 12 HB2 MET 12 -15.380 1.971 -1.118 84 2HB MET 12 HB1 MET 12 -13.848 2.075 -1.987 85 1HG MET 12 HG2 MET 12 -14.453 0.390 -3.510 86 2HG MET 12 HG1 MET 12 -15.716 -0.241 -2.454 87 1HE MET 12 HE2 MET 12 -17.821 0.217 -2.361 88 2HE MET 12 HE1 MET 12 -17.848 1.843 -1.686 89 3HE MET 12 HE3 MET 12 -18.780 1.472 -3.142 90 H THR 13 HN THR 13 -13.543 -1.856 0.382 91 HA THR 13 HA THR 13 -16.102 -3.107 -0.115 92 HB THR 13 HB THR 13 -13.642 -3.986 0.244 93 HG1 THR 13 HG1 THR 13 -15.704 -5.434 1.513 94 1HG2 THR 13 HG22 THR 13 -14.105 -3.022 2.783 95 2HG2 THR 13 HG21 THR 13 -14.417 -4.750 2.952 96 3HG2 THR 13 HG23 THR 13 -12.864 -4.191 2.337 97 H CYS 14 HN CYS 14 -15.303 -0.687 1.995 98 HA CYS 14 HA CYS 14 -16.642 0.310 3.670 99 1HB CYS 14 HB2 CYS 14 -18.328 -1.495 2.552 100 2HB CYS 14 HB1 CYS 14 -18.181 -2.181 4.170 101 HG CYS 14 HG CYS 14 -20.117 -0.343 4.097 102 H ALA 15 HN ALA 15 -14.731 0.265 4.971 103 HA ALA 15 HA ALA 15 -13.694 -0.154 7.052 104 1HB ALA 15 HB3 ALA 15 -16.221 -0.602 7.527 105 2HB ALA 15 HB2 ALA 15 -15.751 -2.302 7.511 106 3HB ALA 15 HB1 ALA 15 -15.026 -1.198 8.680 107 H ALA 16 HN ALA 16 -12.987 -1.747 4.563 108 HA ALA 16 HA ALA 16 -11.423 -3.788 6.016 109 1HB ALA 16 HB1 ALA 16 -13.905 -4.376 4.687 110 2HB ALA 16 HB3 ALA 16 -12.590 -5.214 3.862 111 3HB ALA 16 HB2 ALA 16 -12.853 -5.467 5.587 112 H CYS 17 HN CYS 17 -12.263 -2.276 2.891 113 HA CYS 17 HA CYS 17 -10.208 -3.255 1.265 114 1HB CYS 17 HB2 CYS 17 -11.642 -1.856 0.156 115 2HB CYS 17 HB1 CYS 17 -11.802 -0.758 1.517 116 HG CYS 17 HG CYS 17 -9.593 -0.620 -0.661 117 HA PRO 18 HA PRO 18 -7.169 0.019 3.048 118 1HB PRO 18 HB2 PRO 18 -7.983 1.252 5.390 119 2HB PRO 18 HB1 PRO 18 -8.216 1.910 3.766 120 1HG PRO 18 HG2 PRO 18 -10.203 0.743 5.606 121 2HG PRO 18 HG1 PRO 18 -10.449 1.820 4.229 122 1HD PRO 18 HD2 PRO 18 -10.951 -0.984 4.310 123 2HD PRO 18 HD1 PRO 18 -10.990 0.067 2.873 124 H ILE 19 HN ILE 19 -8.795 -2.309 5.008 125 HA ILE 19 HA ILE 19 -6.717 -2.344 7.115 126 HB ILE 19 HB ILE 19 -9.264 -3.866 6.520 127 1HG1 ILE 19 HG12 ILE 19 -9.448 -1.561 7.421 128 2HG1 ILE 19 HG11 ILE 19 -10.024 -2.758 8.581 129 1HG2 ILE 19 HG21 ILE 19 -7.116 -4.392 8.562 130 2HG2 ILE 19 HG23 ILE 19 -8.800 -4.758 8.936 131 3HG2 ILE 19 HG22 ILE 19 -8.009 -5.546 7.571 132 1HD1 ILE 19 HD12 ILE 19 -7.425 -2.662 9.304 133 2HD1 ILE 19 HD11 ILE 19 -7.616 -1.019 8.693 134 3HD1 ILE 19 HD13 ILE 19 -8.648 -1.600 10.001 135 H THR 20 HN THR 20 -7.902 -4.381 4.476 136 HA THR 20 HA THR 20 -5.977 -6.508 4.845 137 HB THR 20 HB THR 20 -8.092 -5.583 2.969 138 HG1 THR 20 HG1 THR 20 -7.375 -8.162 3.900 139 1HG2 THR 20 HG23 THR 20 -6.217 -5.984 1.428 140 2HG2 THR 20 HG22 THR 20 -6.002 -7.596 2.110 141 3HG2 THR 20 HG21 THR 20 -7.480 -7.197 1.232 142 H VAL 21 HN VAL 21 -6.240 -3.587 2.841 143 HA VAL 21 HA VAL 21 -3.855 -4.029 1.322 144 HB VAL 21 HB VAL 21 -5.600 -1.675 2.054 145 1HG1 VAL 21 HG13 VAL 21 -3.249 -0.892 1.778 146 2HG1 VAL 21 HG12 VAL 21 -3.218 -1.636 0.180 147 3HG1 VAL 21 HG11 VAL 21 -4.314 -0.295 0.506 148 1HG2 VAL 21 HG21 VAL 21 -5.271 -3.559 -0.231 149 2HG2 VAL 21 HG23 VAL 21 -6.736 -2.818 0.410 150 3HG2 VAL 21 HG22 VAL 21 -5.664 -1.888 -0.634 151 H LYS 22 HN LYS 22 -4.581 -2.074 4.216 152 HA LYS 22 HA LYS 22 -2.084 -0.937 4.744 153 1HB LYS 22 HB2 LYS 22 -3.973 -0.455 6.123 154 2HB LYS 22 HB1 LYS 22 -4.205 -2.157 6.525 155 1HG LYS 22 HG2 LYS 22 -2.791 -1.998 8.269 156 2HG LYS 22 HG1 LYS 22 -1.531 -1.317 7.241 157 1HD LYS 22 HD2 LYS 22 -2.278 0.899 7.590 158 2HD LYS 22 HD1 LYS 22 -3.847 0.365 8.194 159 1HE LYS 22 HE2 LYS 22 -2.101 -0.857 9.958 160 2HE LYS 22 HE1 LYS 22 -1.320 0.707 9.654 161 1HZ LYS 22 HZ1 LYS 22 -4.232 0.578 10.058 162 2HZ LYS 22 HZ3 LYS 22 -3.206 0.560 11.408 163 3HZ LYS 22 HZ2 LYS 22 -3.168 1.875 10.332 164 H LYS 23 HN LYS 23 -3.174 -4.214 5.700 165 HA LYS 23 HA LYS 23 -0.624 -4.930 6.869 166 1HB LYS 23 HB2 LYS 23 -2.968 -6.601 5.930 167 2HB LYS 23 HB1 LYS 23 -1.695 -7.146 7.024 168 1HG LYS 23 HG2 LYS 23 -3.198 -4.646 7.708 169 2HG LYS 23 HG1 LYS 23 -3.978 -6.203 7.985 170 1HD LYS 23 HD2 LYS 23 -1.181 -6.092 8.897 171 2HD LYS 23 HD1 LYS 23 -2.259 -4.988 9.752 172 1HE LYS 23 HE2 LYS 23 -3.262 -7.766 9.298 173 2HE LYS 23 HE1 LYS 23 -1.995 -7.545 10.522 174 1HZ LYS 23 HZ1 LYS 23 -4.305 -5.710 10.387 175 2HZ LYS 23 HZ3 LYS 23 -4.426 -7.180 11.225 176 3HZ LYS 23 HZ2 LYS 23 -3.272 -6.027 11.698 177 H ALA 24 HN ALA 24 -1.838 -5.014 3.624 178 HA ALA 24 HA ALA 24 -0.148 -7.115 2.633 179 1HB ALA 24 HB2 ALA 24 -2.228 -5.377 1.750 180 2HB ALA 24 HB1 ALA 24 -0.880 -5.207 0.624 181 3HB ALA 24 HB3 ALA 24 -1.586 -6.796 0.923 182 H LEU 25 HN LEU 25 0.017 -3.554 2.467 183 HA LEU 25 HA LEU 25 2.578 -3.455 1.157 184 1HB LEU 25 HB2 LEU 25 1.015 -1.523 2.899 185 2HB LEU 25 HB1 LEU 25 2.400 -1.071 1.900 186 HG LEU 25 HG LEU 25 0.933 -2.378 0.059 187 1HD1 LEU 25 HD12 LEU 25 -0.921 -1.547 2.214 188 2HD1 LEU 25 HD11 LEU 25 -1.428 -1.257 0.551 189 3HD1 LEU 25 HD13 LEU 25 -1.037 -2.894 1.078 190 1HD2 LEU 25 HD21 LEU 25 0.912 0.474 0.994 191 2HD2 LEU 25 HD23 LEU 25 1.686 -0.215 -0.428 192 3HD2 LEU 25 HD22 LEU 25 -0.063 -0.009 -0.392 193 H SER 26 HN SER 26 1.508 -3.537 4.505 194 HA SER 26 HA SER 26 4.148 -2.968 5.637 195 1HB SER 26 HB2 SER 26 1.639 -2.702 6.517 196 2HB SER 26 HB1 SER 26 1.928 -4.330 7.127 197 HG SER 26 HG SER 26 4.025 -3.244 7.871 198 H LYS 27 HN LYS 27 2.454 -5.820 4.498 199 HA LYS 27 HA LYS 27 4.357 -7.571 5.949 200 1HB LYS 27 HB2 LYS 27 2.860 -9.374 5.236 201 2HB LYS 27 HB1 LYS 27 1.909 -8.071 5.941 202 1HG LYS 27 HG2 LYS 27 0.747 -8.647 3.959 203 2HG LYS 27 HG1 LYS 27 1.648 -7.198 3.539 204 1HD LYS 27 HD2 LYS 27 3.000 -8.297 2.080 205 2HD LYS 27 HD1 LYS 27 3.108 -9.724 3.111 206 1HE LYS 27 HE2 LYS 27 0.814 -10.390 2.415 207 2HE LYS 27 HE1 LYS 27 0.756 -8.984 1.332 208 1HZ LYS 27 HZ1 LYS 27 2.955 -9.837 0.441 209 2HZ LYS 27 HZ3 LYS 27 2.604 -11.297 1.230 210 3HZ LYS 27 HZ2 LYS 27 1.571 -10.724 0.009 211 H VAL 28 HN VAL 28 4.092 -5.953 3.029 212 HA VAL 28 HA VAL 28 4.872 -7.560 0.944 213 HB VAL 28 HB VAL 28 5.666 -4.833 1.923 214 1HG1 VAL 28 HG11 VAL 28 6.999 -6.400 -0.264 215 2HG1 VAL 28 HG13 VAL 28 6.708 -4.679 -0.524 216 3HG1 VAL 28 HG12 VAL 28 7.693 -5.211 0.838 217 1HG2 VAL 28 HG23 VAL 28 3.499 -5.719 0.611 218 2HG2 VAL 28 HG22 VAL 28 4.165 -4.110 0.334 219 3HG2 VAL 28 HG21 VAL 28 4.544 -5.425 -0.778 220 H GLU 29 HN GLU 29 7.536 -5.857 2.567 221 HA GLU 29 HA GLU 29 8.920 -8.152 3.550 222 1HB GLU 29 HB2 GLU 29 9.177 -9.018 1.409 223 2HB GLU 29 HB1 GLU 29 9.179 -7.425 0.654 224 1HG GLU 29 HG2 GLU 29 11.426 -7.025 1.219 225 2HG GLU 29 HG1 GLU 29 11.433 -8.278 2.460 226 H GLY 30 HN GLY 30 9.760 -5.248 1.609 227 1HA GLY 30 HA2 GLY 30 11.805 -4.543 3.628 228 2HA GLY 30 HA1 GLY 30 11.593 -3.763 2.061 229 H VAL 31 HN VAL 31 8.549 -3.785 2.868 230 HA VAL 31 HA VAL 31 8.159 -1.103 3.461 231 HB VAL 31 HB VAL 31 6.389 -2.775 2.999 232 1HG1 VAL 31 HG11 VAL 31 7.597 -4.046 5.277 233 2HG1 VAL 31 HG13 VAL 31 5.901 -3.727 5.635 234 3HG1 VAL 31 HG12 VAL 31 6.338 -4.673 4.212 235 1HG2 VAL 31 HG21 VAL 31 6.013 -0.540 4.251 236 2HG2 VAL 31 HG23 VAL 31 4.732 -1.744 4.361 237 3HG2 VAL 31 HG22 VAL 31 5.854 -1.529 5.702 238 H SER 32 HN SER 32 8.209 0.162 5.194 239 HA SER 32 HA SER 32 9.236 -0.995 7.761 240 1HB SER 32 HB2 SER 32 10.940 0.313 6.637 241 2HB SER 32 HB1 SER 32 9.799 1.621 6.336 242 HG SER 32 HG SER 32 10.593 0.688 8.900 243 H LYS 33 HN LYS 33 6.765 0.748 6.193 244 HA LYS 33 HA LYS 33 5.285 1.073 8.695 245 1HB LYS 33 HB2 LYS 33 6.400 3.021 9.161 246 2HB LYS 33 HB1 LYS 33 6.896 3.255 7.489 247 1HG LYS 33 HG2 LYS 33 4.618 4.030 6.921 248 2HG LYS 33 HG1 LYS 33 4.121 3.793 8.596 249 1HD LYS 33 HD2 LYS 33 6.441 5.579 7.840 250 2HD LYS 33 HD1 LYS 33 4.786 6.179 7.952 251 1HE LYS 33 HE2 LYS 33 4.679 5.845 10.269 252 2HE LYS 33 HE1 LYS 33 5.962 4.618 10.247 253 1HZ LYS 33 HZ1 LYS 33 7.469 6.417 9.420 254 2HZ LYS 33 HZ3 LYS 33 6.246 7.535 9.782 255 3HZ LYS 33 HZ2 LYS 33 6.948 6.614 11.025 256 H VAL 34 HN VAL 34 3.121 2.192 8.218 257 HA VAL 34 HA VAL 34 2.301 2.428 5.417 258 HB VAL 34 HB VAL 34 2.553 -0.062 6.016 259 1HG1 VAL 34 HG13 VAL 34 1.296 0.522 8.289 260 2HG1 VAL 34 HG12 VAL 34 -0.133 0.188 7.310 261 3HG1 VAL 34 HG11 VAL 34 1.102 -1.054 7.520 262 1HG2 VAL 34 HG22 VAL 34 1.195 0.887 4.108 263 2HG2 VAL 34 HG21 VAL 34 0.606 -0.659 4.720 264 3HG2 VAL 34 HG23 VAL 34 -0.214 0.837 5.168 265 H ASP 35 HN ASP 35 -0.201 2.703 5.352 266 HA ASP 35 HA ASP 35 -1.553 3.413 7.839 267 1HB ASP 35 HB2 ASP 35 0.160 5.295 6.508 268 2HB ASP 35 HB1 ASP 35 -1.507 5.855 6.361 269 H VAL 36 HN VAL 36 -3.749 4.458 7.271 270 HA VAL 36 HA VAL 36 -4.689 3.350 4.651 271 HB VAL 36 HB VAL 36 -5.941 3.780 7.367 272 1HG1 VAL 36 HG11 VAL 36 -7.299 3.266 4.709 273 2HG1 VAL 36 HG13 VAL 36 -8.062 2.910 6.259 274 3HG1 VAL 36 HG12 VAL 36 -7.629 4.570 5.851 275 1HG2 VAL 36 HG22 VAL 36 -4.702 1.683 6.944 276 2HG2 VAL 36 HG21 VAL 36 -6.428 1.370 7.127 277 3HG2 VAL 36 HG23 VAL 36 -5.698 1.383 5.521 278 H GLY 37 HN GLY 37 -5.998 4.656 3.320 279 1HA GLY 37 HA2 GLY 37 -6.477 7.463 4.185 280 2HA GLY 37 HA1 GLY 37 -5.628 7.173 2.664 281 H PHE 38 HN PHE 38 -8.559 5.902 4.290 282 HA PHE 38 HA PHE 38 -9.932 5.163 1.921 283 1HB PHE 38 HB2 PHE 38 -10.319 5.118 4.668 284 2HB PHE 38 HB1 PHE 38 -11.604 6.186 4.104 285 HD1 PHE 38 HD2 PHE 38 -10.074 3.353 2.217 286 HD2 PHE 38 HD1 PHE 38 -13.513 4.785 4.358 287 HE1 PHE 38 HE2 PHE 38 -11.370 1.387 1.443 288 HE2 PHE 38 HE1 PHE 38 -14.806 2.818 3.585 289 HZ PHE 38 HZ PHE 38 -13.745 1.119 2.135 290 H GLU 39 HN GLU 39 -9.365 8.312 3.297 291 HA GLU 39 HA GLU 39 -11.502 9.871 2.434 292 1HB GLU 39 HB2 GLU 39 -8.579 10.168 2.779 293 2HB GLU 39 HB1 GLU 39 -9.321 11.384 1.737 294 1HG GLU 39 HG2 GLU 39 -9.460 12.278 3.942 295 2HG GLU 39 HG1 GLU 39 -11.078 11.673 3.579 296 H LYS 40 HN LYS 40 -9.127 8.176 0.502 297 HA LYS 40 HA LYS 40 -10.645 8.869 -1.955 298 1HB LYS 40 HB2 LYS 40 -8.211 10.089 -1.159 299 2HB LYS 40 HB1 LYS 40 -7.812 8.990 -2.479 300 1HG LYS 40 HG2 LYS 40 -8.632 10.499 -3.930 301 2HG LYS 40 HG1 LYS 40 -10.227 10.268 -3.214 302 1HD LYS 40 HD2 LYS 40 -9.937 12.546 -2.869 303 2HD LYS 40 HD1 LYS 40 -9.281 11.906 -1.363 304 1HE LYS 40 HE2 LYS 40 -7.219 11.936 -3.399 305 2HE LYS 40 HE1 LYS 40 -7.928 13.552 -3.208 306 1HZ LYS 40 HZ1 LYS 40 -7.786 13.140 -0.746 307 2HZ LYS 40 HZ3 LYS 40 -6.805 11.801 -1.095 308 3HZ LYS 40 HZ2 LYS 40 -6.297 13.362 -1.533 309 H ARG 41 HN ARG 41 -10.423 6.412 -0.426 310 HA ARG 41 HA ARG 41 -9.836 4.128 -0.680 311 1HB ARG 41 HB2 ARG 41 -10.850 5.359 -3.121 312 2HB ARG 41 HB1 ARG 41 -9.857 3.944 -3.472 313 1HG ARG 41 HG2 ARG 41 -12.291 3.412 -3.102 314 2HG ARG 41 HG1 ARG 41 -11.200 2.558 -2.011 315 1HD ARG 41 HD2 ARG 41 -12.961 3.407 -0.618 316 2HD ARG 41 HD1 ARG 41 -11.599 4.511 -0.363 317 HE ARG 41 HE ARG 41 -12.981 5.539 -2.573 318 1HH1 ARG 41 HH21 ARG 41 -13.645 4.750 0.723 319 2HH1 ARG 41 HH22 ARG 41 -14.875 5.954 0.899 320 1HH2 ARG 41 HH11 ARG 41 -14.581 7.115 -2.358 321 2HH2 ARG 41 HH12 ARG 41 -15.404 7.297 -0.845 322 H GLU 42 HN GLU 42 -7.520 5.358 -0.120 323 HA GLU 42 HA GLU 42 -5.589 4.059 -1.985 324 1HB GLU 42 HB2 GLU 42 -4.219 6.204 -1.773 325 2HB GLU 42 HB1 GLU 42 -5.696 6.346 -2.727 326 1HG GLU 42 HG2 GLU 42 -6.562 7.855 -1.296 327 2HG GLU 42 HG1 GLU 42 -6.221 6.819 0.091 328 H ALA 43 HN ALA 43 -3.619 3.423 -0.920 329 HA ALA 43 HA ALA 43 -3.688 3.701 2.076 330 1HB ALA 43 HB3 ALA 43 -4.140 1.421 1.166 331 2HB ALA 43 HB2 ALA 43 -2.589 1.462 0.327 332 3HB ALA 43 HB1 ALA 43 -2.638 1.462 2.090 333 H VAL 44 HN VAL 44 -1.752 4.487 3.022 334 HA VAL 44 HA VAL 44 0.372 5.278 1.067 335 HB VAL 44 HB VAL 44 -0.851 6.983 2.458 336 1HG1 VAL 44 HG12 VAL 44 -0.752 5.207 4.455 337 2HG1 VAL 44 HG11 VAL 44 0.723 6.095 4.836 338 3HG1 VAL 44 HG13 VAL 44 -0.823 6.941 4.766 339 1HG2 VAL 44 HG23 VAL 44 1.946 6.681 2.014 340 2HG2 VAL 44 HG22 VAL 44 1.042 8.181 2.219 341 3HG2 VAL 44 HG21 VAL 44 1.745 7.376 3.622 342 H VAL 45 HN VAL 45 2.526 4.669 1.440 343 HA VAL 45 HA VAL 45 3.070 3.001 3.849 344 HB VAL 45 HB VAL 45 2.184 1.748 1.797 345 1HG1 VAL 45 HG13 VAL 45 4.976 2.426 0.833 346 2HG1 VAL 45 HG12 VAL 45 3.900 1.249 0.077 347 3HG1 VAL 45 HG11 VAL 45 3.463 2.957 0.098 348 1HG2 VAL 45 HG23 VAL 45 4.833 1.091 3.107 349 2HG2 VAL 45 HG22 VAL 45 3.232 0.516 3.573 350 3HG2 VAL 45 HG21 VAL 45 3.970 -0.049 2.074 351 H THR 46 HN THR 46 5.157 2.959 4.503 352 HA THR 46 HA THR 46 7.174 4.584 2.994 353 HB THR 46 HB THR 46 6.506 4.082 5.889 354 HG1 THR 46 HG1 THR 46 7.555 6.461 4.933 355 1HG2 THR 46 HG22 THR 46 9.232 4.869 4.826 356 2HG2 THR 46 HG21 THR 46 8.737 5.037 6.510 357 3HG2 THR 46 HG23 THR 46 8.842 3.436 5.777 358 H PHE 47 HN PHE 47 9.359 3.488 2.870 359 HA PHE 47 HA PHE 47 9.669 0.856 4.040 360 1HB PHE 47 HB2 PHE 47 9.420 -0.448 1.992 361 2HB PHE 47 HB1 PHE 47 7.937 0.451 2.310 362 HD1 PHE 47 HD2 PHE 47 11.073 0.442 0.259 363 HD2 PHE 47 HD1 PHE 47 7.151 2.124 0.819 364 HE1 PHE 47 HE2 PHE 47 11.227 1.543 -1.948 365 HE2 PHE 47 HE1 PHE 47 7.316 3.219 -1.397 366 HZ PHE 47 HZ PHE 47 9.349 2.930 -2.779 367 H ASP 48 HN ASP 48 11.411 -0.406 2.691 368 HA ASP 48 HA ASP 48 13.641 1.521 2.223 369 1HB ASP 48 HB2 ASP 48 13.504 -0.495 3.982 370 2HB ASP 48 HB1 ASP 48 14.021 -1.426 2.575 371 H ASP 49 HN ASP 49 13.798 1.904 0.059 372 HA ASP 49 HA ASP 49 12.736 0.203 -1.972 373 1HB ASP 49 HB2 ASP 49 13.279 2.686 -2.005 374 2HB ASP 49 HB1 ASP 49 14.965 2.229 -2.242 375 H THR 50 HN THR 50 15.536 -0.217 -0.096 376 HA THR 50 HA THR 50 17.325 -1.355 -2.054 377 HB THR 50 HB THR 50 17.932 -0.517 0.216 378 HG1 THR 50 HG1 THR 50 19.246 -2.360 0.741 379 1HG2 THR 50 HG21 THR 50 15.759 -1.998 1.039 380 2HG2 THR 50 HG23 THR 50 17.116 -2.994 1.564 381 3HG2 THR 50 HG22 THR 50 16.987 -1.321 2.109 382 H LYS 51 HN LYS 51 14.379 -2.480 -0.735 383 HA LYS 51 HA LYS 51 14.922 -5.195 -1.825 384 1HB LYS 51 HB2 LYS 51 14.470 -4.365 0.946 385 2HB LYS 51 HB1 LYS 51 13.387 -5.659 0.427 386 1HG LYS 51 HG2 LYS 51 15.080 -7.172 0.217 387 2HG LYS 51 HG1 LYS 51 16.215 -5.967 -0.390 388 1HD LYS 51 HD2 LYS 51 16.673 -5.152 1.812 389 2HD LYS 51 HD1 LYS 51 15.321 -6.053 2.499 390 1HE LYS 51 HE2 LYS 51 17.223 -7.768 1.053 391 2HE LYS 51 HE1 LYS 51 17.933 -6.951 2.460 392 1HZ LYS 51 HZ3 LYS 51 15.241 -8.126 2.650 393 2HZ LYS 51 HZ2 LYS 51 16.601 -9.132 2.808 394 3HZ LYS 51 HZ1 LYS 51 16.371 -7.836 3.882 395 H ALA 52 HN ALA 52 12.542 -2.841 -0.749 396 HA ALA 52 HA ALA 52 10.510 -4.192 -2.496 397 1HB ALA 52 HB2 ALA 52 10.532 -3.396 0.292 398 2HB ALA 52 HB1 ALA 52 9.224 -2.584 -0.569 399 3HB ALA 52 HB3 ALA 52 9.324 -4.345 -0.577 400 H SER 53 HN SER 53 8.624 -2.347 -2.782 401 HA SER 53 HA SER 53 9.311 0.393 -3.003 402 1HB SER 53 HB2 SER 53 11.073 -0.169 -4.486 403 2HB SER 53 HB1 SER 53 10.114 -1.407 -5.291 404 HG SER 53 HG SER 53 9.398 0.079 -6.584 405 H VAL 54 HN VAL 54 7.875 1.469 -4.814 406 HA VAL 54 HA VAL 54 5.190 1.073 -4.431 407 HB VAL 54 HB VAL 54 5.933 2.911 -5.735 408 1HG1 VAL 54 HG12 VAL 54 7.666 0.927 -6.879 409 2HG1 VAL 54 HG11 VAL 54 6.817 1.761 -8.180 410 3HG1 VAL 54 HG13 VAL 54 7.768 2.682 -7.015 411 1HG2 VAL 54 HG22 VAL 54 3.805 1.558 -6.531 412 2HG2 VAL 54 HG21 VAL 54 4.423 2.891 -7.505 413 3HG2 VAL 54 HG23 VAL 54 4.802 1.228 -7.947 414 H GLN 55 HN GLN 55 7.263 -0.867 -6.562 415 HA GLN 55 HA GLN 55 5.219 -2.254 -7.983 416 1HB GLN 55 HB2 GLN 55 7.950 -2.181 -7.928 417 2HB GLN 55 HB1 GLN 55 7.647 -3.752 -7.187 418 1HG GLN 55 HG2 GLN 55 7.526 -4.467 -9.348 419 2HG GLN 55 HG1 GLN 55 5.883 -3.834 -9.256 420 1HE2 GLN 55 HE22 GLN 55 6.650 -1.753 -11.997 421 2HE2 GLN 55 HE21 GLN 55 5.637 -2.954 -11.355 422 H LYS 56 HN LYS 56 6.944 -3.164 -4.983 423 HA LYS 56 HA LYS 56 5.240 -5.478 -4.523 424 1HB LYS 56 HB2 LYS 56 7.229 -3.975 -2.791 425 2HB LYS 56 HB1 LYS 56 6.552 -5.557 -2.403 426 1HG LYS 56 HG2 LYS 56 8.301 -4.844 -4.770 427 2HG LYS 56 HG1 LYS 56 8.694 -5.936 -3.441 428 1HD LYS 56 HD2 LYS 56 6.655 -7.311 -4.174 429 2HD LYS 56 HD1 LYS 56 6.672 -6.345 -5.650 430 1HE LYS 56 HE2 LYS 56 9.253 -7.020 -5.654 431 2HE LYS 56 HE1 LYS 56 8.641 -8.395 -4.713 432 1HZ LYS 56 HZ1 LYS 56 6.892 -8.663 -6.419 433 2HZ LYS 56 HZ3 LYS 56 7.644 -7.464 -7.353 434 3HZ LYS 56 HZ2 LYS 56 8.455 -8.922 -7.032 435 H LEU 57 HN LEU 57 4.981 -2.073 -3.743 436 HA LEU 57 HA LEU 57 3.268 -2.435 -1.413 437 1HB LEU 57 HB2 LEU 57 3.585 -0.123 -3.359 438 2HB LEU 57 HB1 LEU 57 2.901 -0.020 -1.743 439 HG LEU 57 HG LEU 57 5.751 -0.813 -2.395 440 1HD1 LEU 57 HD11 LEU 57 4.397 1.734 -1.974 441 2HD1 LEU 57 HD13 LEU 57 5.701 1.482 -0.814 442 3HD1 LEU 57 HD12 LEU 57 6.036 1.420 -2.545 443 1HD2 LEU 57 HD22 LEU 57 4.167 -0.630 0.168 444 2HD2 LEU 57 HD21 LEU 57 5.264 -1.906 -0.362 445 3HD2 LEU 57 HD23 LEU 57 5.909 -0.357 0.180 446 H THR 58 HN THR 58 2.610 -1.227 -4.707 447 HA THR 58 HA THR 58 -0.225 -1.494 -4.582 448 HB THR 58 HB THR 58 -0.060 -1.205 -6.997 449 HG1 THR 58 HG1 THR 58 1.740 -1.710 -8.087 450 1HG2 THR 58 HG22 THR 58 1.509 0.347 -5.112 451 2HG2 THR 58 HG21 THR 58 2.205 0.422 -6.731 452 3HG2 THR 58 HG23 THR 58 0.529 0.901 -6.469 453 H LYS 59 HN LYS 59 2.353 -3.809 -5.142 454 HA LYS 59 HA LYS 59 0.646 -5.853 -6.273 455 1HB LYS 59 HB2 LYS 59 2.996 -5.791 -6.820 456 2HB LYS 59 HB1 LYS 59 3.441 -5.780 -5.113 457 1HG LYS 59 HG2 LYS 59 3.205 -8.028 -4.913 458 2HG LYS 59 HG1 LYS 59 1.737 -8.050 -5.890 459 1HD LYS 59 HD2 LYS 59 3.319 -7.591 -7.896 460 2HD LYS 59 HD1 LYS 59 4.606 -8.120 -6.811 461 1HE LYS 59 HE2 LYS 59 2.289 -9.920 -6.755 462 2HE LYS 59 HE1 LYS 59 3.044 -9.813 -8.358 463 1HZ LYS 59 HZ2 LYS 59 5.227 -9.909 -7.001 464 2HZ LYS 59 HZ1 LYS 59 4.255 -10.600 -5.790 465 3HZ LYS 59 HZ3 LYS 59 4.382 -11.352 -7.304 466 H ALA 60 HN ALA 60 1.717 -4.921 -3.045 467 HA ALA 60 HA ALA 60 0.911 -7.362 -1.749 468 1HB ALA 60 HB3 ALA 60 2.349 -5.102 -1.121 469 2HB ALA 60 HB2 ALA 60 0.858 -4.842 -0.220 470 3HB ALA 60 HB1 ALA 60 1.814 -6.297 0.057 471 H THR 61 HN THR 61 -0.576 -4.151 -2.147 472 HA THR 61 HA THR 61 -3.056 -4.853 -0.834 473 HB THR 61 HB THR 61 -2.196 -2.542 -1.093 474 HG1 THR 61 HG1 THR 61 -4.183 -1.775 -2.338 475 1HG2 THR 61 HG23 THR 61 -2.574 -3.130 -4.039 476 2HG2 THR 61 HG22 THR 61 -2.326 -1.511 -3.389 477 3HG2 THR 61 HG21 THR 61 -1.065 -2.730 -3.219 478 H ALA 62 HN ALA 62 -1.751 -4.968 -4.033 479 HA ALA 62 HA ALA 62 -4.180 -5.533 -5.474 480 1HB ALA 62 HB1 ALA 62 -1.229 -6.003 -5.954 481 2HB ALA 62 HB3 ALA 62 -2.449 -6.426 -7.155 482 3HB ALA 62 HB2 ALA 62 -2.250 -4.747 -6.654 483 H ASP 63 HN ASP 63 -1.844 -7.496 -3.703 484 HA ASP 63 HA ASP 63 -3.120 -10.017 -4.589 485 1HB ASP 63 HB2 ASP 63 -0.606 -9.106 -3.438 486 2HB ASP 63 HB1 ASP 63 -1.245 -10.483 -2.544 487 H ALA 64 HN ALA 64 -3.567 -7.656 -2.194 488 HA ALA 64 HA ALA 64 -4.492 -9.449 -0.063 489 1HB ALA 64 HB1 ALA 64 -3.602 -6.836 -0.287 490 2HB ALA 64 HB3 ALA 64 -5.339 -6.627 -0.074 491 3HB ALA 64 HB2 ALA 64 -4.403 -7.505 1.135 492 H GLY 65 HN GLY 65 -5.784 -7.683 -2.791 493 1HA GLY 65 HA2 GLY 65 -7.937 -9.007 -3.537 494 2HA GLY 65 HA1 GLY 65 -8.553 -8.421 -1.997 495 H TYR 66 HN TYR 66 -6.421 -6.292 -3.814 496 HA TYR 66 HA TYR 66 -8.766 -4.877 -4.970 497 1HB TYR 66 HB2 TYR 66 -6.745 -3.578 -3.130 498 2HB TYR 66 HB1 TYR 66 -8.201 -2.843 -3.793 499 HD1 TYR 66 HD1 TYR 66 -10.424 -4.187 -3.287 500 HD2 TYR 66 HD2 TYR 66 -6.796 -4.403 -1.029 501 HE1 TYR 66 HE1 TYR 66 -11.704 -4.963 -1.325 502 HE2 TYR 66 HE2 TYR 66 -8.056 -5.168 0.942 503 HH TYR 66 HH TYR 66 -10.177 -5.339 1.832 504 HA PRO 67 HA PRO 67 -5.390 -4.642 -8.031 505 1HB PRO 67 HB2 PRO 67 -7.321 -3.235 -9.670 506 2HB PRO 67 HB1 PRO 67 -6.670 -4.859 -9.912 507 1HG PRO 67 HG2 PRO 67 -9.309 -4.145 -9.053 508 2HG PRO 67 HG1 PRO 67 -8.640 -5.766 -9.262 509 1HD PRO 67 HD2 PRO 67 -9.286 -4.440 -6.789 510 2HD PRO 67 HD1 PRO 67 -8.559 -6.054 -7.000 511 H SER 68 HN SER 68 -4.167 -3.033 -6.941 512 HA SER 68 HA SER 68 -5.343 -0.299 -6.806 513 1HB SER 68 HB2 SER 68 -4.426 -1.723 -4.839 514 2HB SER 68 HB1 SER 68 -2.837 -1.289 -5.462 515 HG SER 68 HG SER 68 -3.463 0.240 -3.958 516 H SER 69 HN SER 69 -3.414 1.378 -6.705 517 HA SER 69 HA SER 69 -1.456 0.948 -8.906 518 1HB SER 69 HB2 SER 69 -3.896 2.371 -9.085 519 2HB SER 69 HB1 SER 69 -2.640 3.598 -8.935 520 HG SER 69 HG SER 69 -2.473 3.198 -11.013 521 H VAL 70 HN VAL 70 -0.386 3.531 -8.835 522 HA VAL 70 HA VAL 70 0.179 4.028 -5.966 523 HB VAL 70 HB VAL 70 1.638 2.335 -7.246 524 1HG1 VAL 70 HG11 VAL 70 1.831 4.413 -9.042 525 2HG1 VAL 70 HG13 VAL 70 3.343 4.564 -8.148 526 3HG1 VAL 70 HG12 VAL 70 2.947 3.049 -8.961 527 1HG2 VAL 70 HG21 VAL 70 2.235 4.353 -5.275 528 2HG2 VAL 70 HG23 VAL 70 2.883 2.719 -5.403 529 3HG2 VAL 70 HG22 VAL 70 3.673 4.049 -6.248 530 H LYS 71 HN LYS 71 1.101 6.138 -5.538 531 HA LYS 71 HA LYS 71 0.860 8.022 -7.868 532 1HB LYS 71 HB2 LYS 71 0.258 8.787 -5.020 533 2HB LYS 71 HB1 LYS 71 -0.349 9.518 -6.504 534 1HG LYS 71 HG2 LYS 71 -1.171 6.828 -6.599 535 2HG LYS 71 HG1 LYS 71 -1.481 7.361 -4.949 536 1HD LYS 71 HD2 LYS 71 -2.317 9.517 -6.463 537 2HD LYS 71 HD1 LYS 71 -2.799 8.136 -7.447 538 1HE LYS 71 HE2 LYS 71 -3.653 7.213 -5.082 539 2HE LYS 71 HE1 LYS 71 -3.765 8.951 -4.738 540 1HZ LYS 71 HZ2 LYS 71 -4.714 8.890 -7.213 541 2HZ LYS 71 HZ1 LYS 71 -5.221 7.355 -6.690 542 3HZ LYS 71 HZ3 LYS 71 -5.710 8.742 -5.845 543 H GLN 72 HN GLN 72 3.071 6.589 -6.607 544 HA GLN 72 HA GLN 72 5.310 7.001 -5.900 545 1HB GLN 72 HB2 GLN 72 4.384 9.003 -7.826 546 2HB GLN 72 HB1 GLN 72 5.715 9.597 -6.833 547 1HG GLN 72 HG2 GLN 72 5.937 6.835 -7.950 548 2HG GLN 72 HG1 GLN 72 6.168 8.191 -9.054 549 1HE2 GLN 72 HE22 GLN 72 9.288 7.166 -6.919 550 2HE2 GLN 72 HE21 GLN 72 8.043 6.144 -7.452 No H/Q in entry = 550 Start of MODEL 8 1 1H ALA 1 HT1 ALA 1 -17.083 4.411 -1.229 2 2H ALA 1 HT3 ALA 1 -18.479 3.672 -0.613 3 3H ALA 1 HT2 ALA 1 -17.393 4.444 0.440 4 HA ALA 1 HA ALA 1 -16.403 2.481 0.762 5 1HB ALA 1 HB2 ALA 1 -18.468 1.898 -1.285 6 2HB ALA 1 HB1 ALA 1 -17.178 0.703 -1.150 7 3HB ALA 1 HB3 ALA 1 -18.161 1.102 0.259 8 H THR 2 HN THR 2 -14.862 4.307 -0.514 9 HA THR 2 HA THR 2 -12.994 2.725 -1.973 10 HB THR 2 HB THR 2 -14.389 3.076 -3.811 11 HG1 THR 2 HG1 THR 2 -13.134 5.309 -4.518 12 1HG2 THR 2 HG23 THR 2 -14.914 5.702 -2.502 13 2HG2 THR 2 HG22 THR 2 -15.104 5.600 -4.252 14 3HG2 THR 2 HG21 THR 2 -16.057 4.554 -3.200 15 H GLN 3 HN GLN 3 -11.481 3.459 -0.549 16 HA GLN 3 HA GLN 3 -11.145 6.426 -0.255 17 1HB GLN 3 HB2 GLN 3 -10.526 4.023 1.455 18 2HB GLN 3 HB1 GLN 3 -9.819 5.601 1.804 19 1HG GLN 3 HG2 GLN 3 -12.790 5.056 1.533 20 2HG GLN 3 HG1 GLN 3 -11.931 5.227 3.065 21 1HE2 GLN 3 HE22 GLN 3 -11.695 8.763 2.852 22 2HE2 GLN 3 HE21 GLN 3 -11.172 7.371 3.670 23 H THR 4 HN THR 4 -8.963 7.258 -0.103 24 HA THR 4 HA THR 4 -6.914 5.651 -1.598 25 HB THR 4 HB THR 4 -7.504 8.634 -1.633 26 HG1 THR 4 HG1 THR 4 -8.012 8.062 -3.868 27 1HG2 THR 4 HG23 THR 4 -5.482 6.956 -3.141 28 2HG2 THR 4 HG22 THR 4 -5.848 8.643 -3.504 29 3HG2 THR 4 HG21 THR 4 -5.131 8.211 -1.952 30 H VAL 5 HN VAL 5 -5.042 5.377 -0.396 31 HA VAL 5 HA VAL 5 -4.368 7.394 1.707 32 HB VAL 5 HB VAL 5 -5.515 5.761 2.921 33 1HG1 VAL 5 HG12 VAL 5 -5.644 4.150 0.972 34 2HG1 VAL 5 HG11 VAL 5 -4.033 3.589 1.420 35 3HG1 VAL 5 HG13 VAL 5 -5.383 3.378 2.532 36 1HG2 VAL 5 HG23 VAL 5 -3.271 6.210 3.855 37 2HG2 VAL 5 HG22 VAL 5 -3.796 4.566 4.209 38 3HG2 VAL 5 HG21 VAL 5 -2.627 4.858 2.924 39 H THR 6 HN THR 6 -2.210 6.999 2.562 40 HA THR 6 HA THR 6 -0.330 6.072 0.439 41 HB THR 6 HB THR 6 1.137 7.593 2.096 42 HG1 THR 6 HG1 THR 6 -0.322 9.303 2.795 43 1HG2 THR 6 HG23 THR 6 -0.857 8.578 0.049 44 2HG2 THR 6 HG22 THR 6 0.452 9.566 0.697 45 3HG2 THR 6 HG21 THR 6 0.821 8.119 -0.242 46 H LEU 7 HN LEU 7 1.596 4.878 1.328 47 HA LEU 7 HA LEU 7 1.017 3.643 3.987 48 1HB LEU 7 HB2 LEU 7 1.125 2.524 1.289 49 2HB LEU 7 HB1 LEU 7 2.223 1.693 2.390 50 HG LEU 7 HG LEU 7 0.481 1.082 3.854 51 1HD1 LEU 7 HD11 LEU 7 -1.091 3.250 2.492 52 2HD1 LEU 7 HD13 LEU 7 -1.882 2.004 3.454 53 3HD1 LEU 7 HD12 LEU 7 -0.711 3.080 4.200 54 1HD2 LEU 7 HD21 LEU 7 0.225 0.510 1.093 55 2HD2 LEU 7 HD23 LEU 7 -0.416 -0.434 2.438 56 3HD2 LEU 7 HD22 LEU 7 -1.404 0.819 1.687 57 H ALA 8 HN ALA 8 2.904 2.908 5.106 58 HA ALA 8 HA ALA 8 5.401 4.290 4.181 59 1HB ALA 8 HB2 ALA 8 4.152 4.831 6.373 60 2HB ALA 8 HB1 ALA 8 4.761 3.283 6.957 61 3HB ALA 8 HB3 ALA 8 5.890 4.556 6.492 62 H VAL 9 HN VAL 9 6.432 2.660 2.965 63 HA VAL 9 HA VAL 9 7.001 0.091 4.418 64 HB VAL 9 HB VAL 9 5.705 -0.332 2.444 65 1HG1 VAL 9 HG13 VAL 9 7.293 1.935 1.389 66 2HG1 VAL 9 HG12 VAL 9 6.956 0.651 0.228 67 3HG1 VAL 9 HG11 VAL 9 5.626 1.472 1.045 68 1HG2 VAL 9 HG23 VAL 9 8.466 -1.103 2.577 69 2HG2 VAL 9 HG22 VAL 9 7.116 -1.992 1.871 70 3HG2 VAL 9 HG21 VAL 9 8.034 -0.854 0.885 71 HA PRO 10 HA PRO 10 11.001 2.351 3.997 72 1HB PRO 10 HB2 PRO 10 11.807 1.433 6.531 73 2HB PRO 10 HB1 PRO 10 11.114 3.015 6.162 74 1HG PRO 10 HG2 PRO 10 9.910 0.817 7.623 75 2HG PRO 10 HG1 PRO 10 9.295 2.456 7.393 76 1HD PRO 10 HD2 PRO 10 8.401 0.016 6.107 77 2HD PRO 10 HD1 PRO 10 7.743 1.661 5.926 78 H GLY 11 HN GLY 11 10.412 -0.398 2.943 79 1HA GLY 11 HA2 GLY 11 12.526 -2.115 4.007 80 2HA GLY 11 HA1 GLY 11 11.518 -2.467 2.602 81 H MET 12 HN MET 12 12.133 0.247 1.481 82 HA MET 12 HA MET 12 13.574 0.907 -0.294 83 1HB MET 12 HB2 MET 12 15.754 1.586 0.721 84 2HB MET 12 HB1 MET 12 14.377 2.033 1.728 85 1HG MET 12 HG2 MET 12 14.752 0.181 3.210 86 2HG MET 12 HG1 MET 12 15.942 -0.529 2.120 87 1HE MET 12 HE1 MET 12 17.892 0.981 1.178 88 2HE MET 12 HE3 MET 12 19.065 1.454 2.415 89 3HE MET 12 HE2 MET 12 18.428 -0.188 2.382 90 H THR 13 HN THR 13 13.207 -1.487 -1.076 91 HA THR 13 HA THR 13 15.635 -3.168 -0.925 92 HB THR 13 HB THR 13 13.912 -4.322 -2.735 93 HG1 THR 13 HG1 THR 13 12.153 -3.376 -0.816 94 1HG2 THR 13 HG21 THR 13 14.075 -4.444 0.271 95 2HG2 THR 13 HG23 THR 13 12.993 -5.501 -0.634 96 3HG2 THR 13 HG22 THR 13 14.733 -5.577 -0.910 97 H CYS 14 HN CYS 14 15.217 -0.428 -2.422 98 HA CYS 14 HA CYS 14 16.229 0.529 -4.331 99 1HB CYS 14 HB2 CYS 14 17.633 -1.825 -3.696 100 2HB CYS 14 HB1 CYS 14 17.333 -1.926 -5.431 101 HG CYS 14 HG CYS 14 18.563 0.702 -4.295 102 H ALA 15 HN ALA 15 14.102 0.828 -5.271 103 HA ALA 15 HA ALA 15 12.507 0.574 -6.995 104 1HB ALA 15 HB2 ALA 15 15.091 -0.079 -7.932 105 2HB ALA 15 HB1 ALA 15 14.015 -1.313 -8.589 106 3HB ALA 15 HB3 ALA 15 13.698 0.393 -8.905 107 H ALA 16 HN ALA 16 12.552 -1.350 -4.707 108 HA ALA 16 HA ALA 16 11.082 -3.583 -6.064 109 1HB ALA 16 HB3 ALA 16 13.530 -3.615 -4.508 110 2HB ALA 16 HB2 ALA 16 12.291 -4.599 -3.728 111 3HB ALA 16 HB1 ALA 16 12.767 -4.935 -5.393 112 H CYS 17 HN CYS 17 11.683 -1.816 -3.029 113 HA CYS 17 HA CYS 17 9.606 -2.830 -1.426 114 1HB CYS 17 HB2 CYS 17 11.459 -0.712 -1.444 115 2HB CYS 17 HB1 CYS 17 9.886 0.045 -1.191 116 HG CYS 17 HG CYS 17 11.281 -1.892 0.762 117 HA PRO 18 HA PRO 18 6.629 0.447 -3.325 118 1HB PRO 18 HB2 PRO 18 7.593 1.580 -5.704 119 2HB PRO 18 HB1 PRO 18 7.604 2.337 -4.108 120 1HG PRO 18 HG2 PRO 18 9.850 1.319 -5.658 121 2HG PRO 18 HG1 PRO 18 9.867 2.295 -4.187 122 1HD PRO 18 HD2 PRO 18 10.453 -0.515 -4.441 123 2HD PRO 18 HD1 PRO 18 10.437 0.470 -2.958 124 H ILE 19 HN ILE 19 8.296 -1.951 -5.144 125 HA ILE 19 HA ILE 19 6.301 -2.036 -7.326 126 HB ILE 19 HB ILE 19 8.595 -3.902 -6.652 127 1HG1 ILE 19 HG12 ILE 19 9.209 -1.426 -6.822 128 2HG1 ILE 19 HG11 ILE 19 10.036 -2.499 -7.951 129 1HG2 ILE 19 HG21 ILE 19 6.994 -3.303 -9.143 130 2HG2 ILE 19 HG23 ILE 19 8.547 -4.138 -9.193 131 3HG2 ILE 19 HG22 ILE 19 7.189 -4.854 -8.325 132 1HD1 ILE 19 HD13 ILE 19 7.490 -1.532 -9.009 133 2HD1 ILE 19 HD12 ILE 19 8.602 -0.216 -8.634 134 3HD1 ILE 19 HD11 ILE 19 9.092 -1.496 -9.744 135 H THR 20 HN THR 20 7.388 -4.008 -4.593 136 HA THR 20 HA THR 20 5.341 -6.052 -4.967 137 HB THR 20 HB THR 20 7.667 -5.391 -3.261 138 HG1 THR 20 HG1 THR 20 6.520 -7.723 -4.378 139 1HG2 THR 20 HG21 THR 20 5.883 -5.589 -1.551 140 2HG2 THR 20 HG23 THR 20 5.480 -7.184 -2.185 141 3HG2 THR 20 HG22 THR 20 7.056 -6.901 -1.445 142 H VAL 21 HN VAL 21 5.957 -3.338 -2.737 143 HA VAL 21 HA VAL 21 3.665 -3.658 -1.095 144 HB VAL 21 HB VAL 21 5.393 -1.331 -1.952 145 1HG1 VAL 21 HG11 VAL 21 3.094 -0.500 -1.463 146 2HG1 VAL 21 HG13 VAL 21 3.180 -1.269 0.122 147 3HG1 VAL 21 HG12 VAL 21 4.275 0.055 -0.277 148 1HG2 VAL 21 HG23 VAL 21 5.452 -3.367 0.105 149 2HG2 VAL 21 HG22 VAL 21 6.687 -2.180 -0.313 150 3HG2 VAL 21 HG21 VAL 21 5.416 -1.763 0.835 151 H LYS 22 HN LYS 22 4.160 -1.834 -4.112 152 HA LYS 22 HA LYS 22 1.595 -0.635 -4.320 153 1HB LYS 22 HB2 LYS 22 3.395 -0.043 -5.806 154 2HB LYS 22 HB1 LYS 22 3.589 -1.715 -6.333 155 1HG LYS 22 HG2 LYS 22 1.203 -1.581 -7.222 156 2HG LYS 22 HG1 LYS 22 1.293 0.158 -6.941 157 1HD LYS 22 HD2 LYS 22 3.614 -0.201 -8.280 158 2HD LYS 22 HD1 LYS 22 2.656 -1.498 -8.994 159 1HE LYS 22 HE2 LYS 22 0.818 0.473 -9.104 160 2HE LYS 22 HE1 LYS 22 2.294 1.452 -9.213 161 1HZ LYS 22 HZ2 LYS 22 2.190 -1.030 -10.756 162 2HZ LYS 22 HZ1 LYS 22 1.269 0.277 -11.329 163 3HZ LYS 22 HZ3 LYS 22 2.944 0.446 -11.130 164 H LYS 23 HN LYS 23 2.711 -3.670 -5.863 165 HA LYS 23 HA LYS 23 0.014 -4.505 -6.531 166 1HB LYS 23 HB2 LYS 23 1.128 -6.345 -7.518 167 2HB LYS 23 HB1 LYS 23 2.305 -5.038 -7.626 168 1HG LYS 23 HG2 LYS 23 3.480 -5.855 -5.666 169 2HG LYS 23 HG1 LYS 23 2.235 -7.072 -5.379 170 1HD LYS 23 HD2 LYS 23 2.886 -7.671 -7.941 171 2HD LYS 23 HD1 LYS 23 4.436 -7.054 -7.369 172 1HE LYS 23 HE2 LYS 23 3.411 -8.732 -5.308 173 2HE LYS 23 HE1 LYS 23 3.258 -9.618 -6.839 174 1HZ LYS 23 HZ3 LYS 23 5.697 -8.103 -6.103 175 2HZ LYS 23 HZ2 LYS 23 5.503 -9.749 -5.729 176 3HZ LYS 23 HZ1 LYS 23 5.513 -9.238 -7.349 177 H ALA 24 HN ALA 24 1.413 -4.301 -3.533 178 HA ALA 24 HA ALA 24 0.536 -6.905 -2.525 179 1HB ALA 24 HB1 ALA 24 2.079 -4.544 -1.613 180 2HB ALA 24 HB3 ALA 24 1.195 -5.402 -0.353 181 3HB ALA 24 HB2 ALA 24 2.389 -6.256 -1.331 182 H LEU 25 HN LEU 25 -0.074 -3.629 -1.320 183 HA LEU 25 HA LEU 25 -2.608 -4.268 -0.191 184 1HB LEU 25 HB2 LEU 25 -2.853 -1.657 -0.402 185 2HB LEU 25 HB1 LEU 25 -1.665 -2.335 0.694 186 HG LEU 25 HG LEU 25 -1.046 -0.386 -0.944 187 1HD1 LEU 25 HD12 LEU 25 0.719 -2.724 -0.310 188 2HD1 LEU 25 HD11 LEU 25 1.307 -1.214 -0.997 189 3HD1 LEU 25 HD13 LEU 25 0.535 -1.226 0.581 190 1HD2 LEU 25 HD23 LEU 25 -1.773 -1.720 -2.960 191 2HD2 LEU 25 HD22 LEU 25 -0.194 -0.952 -3.050 192 3HD2 LEU 25 HD21 LEU 25 -0.308 -2.669 -2.740 193 H SER 26 HN SER 26 -1.566 -3.773 -3.410 194 HA SER 26 HA SER 26 -4.187 -2.969 -4.470 195 1HB SER 26 HB2 SER 26 -2.218 -2.256 -5.642 196 2HB SER 26 HB1 SER 26 -1.532 -3.876 -5.616 197 HG SER 26 HG SER 26 -2.433 -3.488 -7.635 198 H LYS 27 HN LYS 27 -2.269 -5.928 -4.048 199 HA LYS 27 HA LYS 27 -4.123 -7.610 -5.524 200 1HB LYS 27 HB2 LYS 27 -2.079 -8.644 -5.478 201 2HB LYS 27 HB1 LYS 27 -1.598 -7.787 -4.019 202 1HG LYS 27 HG2 LYS 27 -3.630 -9.995 -3.854 203 2HG LYS 27 HG1 LYS 27 -1.906 -10.373 -3.904 204 1HD LYS 27 HD2 LYS 27 -2.500 -8.188 -2.061 205 2HD LYS 27 HD1 LYS 27 -3.352 -9.671 -1.630 206 1HE LYS 27 HE2 LYS 27 -0.582 -10.202 -2.413 207 2HE LYS 27 HE1 LYS 27 -0.693 -9.109 -1.019 208 1HZ LYS 27 HZ1 LYS 27 -2.603 -11.275 -0.996 209 2HZ LYS 27 HZ3 LYS 27 -0.990 -11.786 -0.879 210 3HZ LYS 27 HZ2 LYS 27 -1.615 -10.686 0.254 211 H VAL 28 HN VAL 28 -4.174 -6.129 -2.488 212 HA VAL 28 HA VAL 28 -5.205 -7.785 -0.582 213 HB VAL 28 HB VAL 28 -6.010 -5.050 -1.548 214 1HG1 VAL 28 HG12 VAL 28 -7.515 -6.789 0.286 215 2HG1 VAL 28 HG11 VAL 28 -7.082 -5.229 0.988 216 3HG1 VAL 28 HG13 VAL 28 -8.013 -5.295 -0.509 217 1HG2 VAL 28 HG23 VAL 28 -3.898 -5.964 -0.082 218 2HG2 VAL 28 HG22 VAL 28 -4.549 -4.331 0.053 219 3HG2 VAL 28 HG21 VAL 28 -5.044 -5.575 1.201 220 H GLU 29 HN GLU 29 -7.729 -6.074 -2.443 221 HA GLU 29 HA GLU 29 -8.974 -8.501 -3.435 222 1HB GLU 29 HB2 GLU 29 -9.364 -7.649 -0.685 223 2HB GLU 29 HB1 GLU 29 -10.897 -7.721 -1.553 224 1HG GLU 29 HG2 GLU 29 -9.972 -10.021 -2.424 225 2HG GLU 29 HG1 GLU 29 -8.928 -9.919 -1.005 226 H GLY 30 HN GLY 30 -9.896 -5.268 -2.130 227 1HA GLY 30 HA2 GLY 30 -11.622 -4.943 -4.546 228 2HA GLY 30 HA1 GLY 30 -11.868 -4.093 -3.023 229 H VAL 31 HN VAL 31 -8.583 -4.275 -3.968 230 HA VAL 31 HA VAL 31 -7.983 -1.577 -3.998 231 HB VAL 31 HB VAL 31 -6.369 -3.429 -4.260 232 1HG1 VAL 31 HG13 VAL 31 -7.904 -3.776 -6.792 233 2HG1 VAL 31 HG12 VAL 31 -6.167 -4.060 -6.869 234 3HG1 VAL 31 HG11 VAL 31 -7.164 -4.992 -5.752 235 1HG2 VAL 31 HG23 VAL 31 -6.431 -1.108 -6.141 236 2HG2 VAL 31 HG22 VAL 31 -5.283 -1.479 -4.855 237 3HG2 VAL 31 HG21 VAL 31 -5.187 -2.331 -6.396 238 H SER 32 HN SER 32 -8.089 0.081 -5.362 239 HA SER 32 HA SER 32 -9.648 -0.273 -7.894 240 1HB SER 32 HB2 SER 32 -11.063 0.923 -6.457 241 2HB SER 32 HB1 SER 32 -9.718 1.742 -5.669 242 HG SER 32 HG SER 32 -9.418 2.923 -7.604 243 H LYS 33 HN LYS 33 -6.779 0.836 -6.394 244 HA LYS 33 HA LYS 33 -5.522 1.446 -8.935 245 1HB LYS 33 HB2 LYS 33 -6.578 3.480 -9.088 246 2HB LYS 33 HB1 LYS 33 -6.864 3.578 -7.356 247 1HG LYS 33 HG2 LYS 33 -4.629 4.326 -6.936 248 2HG LYS 33 HG1 LYS 33 -4.115 3.917 -8.574 249 1HD LYS 33 HD2 LYS 33 -6.299 5.641 -8.920 250 2HD LYS 33 HD1 LYS 33 -5.366 6.354 -7.604 251 1HE LYS 33 HE2 LYS 33 -3.300 6.138 -9.026 252 2HE LYS 33 HE1 LYS 33 -4.341 5.616 -10.365 253 1HZ LYS 33 HZ3 LYS 33 -5.674 7.748 -9.477 254 2HZ LYS 33 HZ2 LYS 33 -4.082 8.238 -9.142 255 3HZ LYS 33 HZ1 LYS 33 -4.530 7.820 -10.727 256 H VAL 34 HN VAL 34 -3.227 2.188 -8.583 257 HA VAL 34 HA VAL 34 -2.234 2.023 -5.790 258 HB VAL 34 HB VAL 34 -0.983 0.186 -7.801 259 1HG1 VAL 34 HG13 VAL 34 -0.480 0.737 -5.197 260 2HG1 VAL 34 HG12 VAL 34 -1.592 -0.619 -5.017 261 3HG1 VAL 34 HG11 VAL 34 -0.110 -0.815 -5.947 262 1HG2 VAL 34 HG23 VAL 34 -3.478 -0.210 -7.945 263 2HG2 VAL 34 HG22 VAL 34 -2.563 -1.594 -7.353 264 3HG2 VAL 34 HG21 VAL 34 -3.459 -0.582 -6.220 265 H ASP 35 HN ASP 35 -0.136 2.942 -5.564 266 HA ASP 35 HA ASP 35 1.400 3.698 -7.974 267 1HB ASP 35 HB2 ASP 35 -0.449 5.451 -6.560 268 2HB ASP 35 HB1 ASP 35 1.192 6.097 -6.529 269 H VAL 36 HN VAL 36 3.534 4.690 -7.277 270 HA VAL 36 HA VAL 36 4.230 3.913 -4.462 271 HB VAL 36 HB VAL 36 6.321 3.016 -5.380 272 1HG1 VAL 36 HG13 VAL 36 3.733 2.113 -6.644 273 2HG1 VAL 36 HG12 VAL 36 5.246 1.260 -6.950 274 3HG1 VAL 36 HG11 VAL 36 4.616 1.376 -5.307 275 1HG2 VAL 36 HG22 VAL 36 5.415 4.532 -7.724 276 2HG2 VAL 36 HG21 VAL 36 7.041 4.000 -7.294 277 3HG2 VAL 36 HG23 VAL 36 5.943 2.897 -8.124 278 H GLY 37 HN GLY 37 6.157 5.065 -3.624 279 1HA GLY 37 HA2 GLY 37 7.048 7.461 -5.081 280 2HA GLY 37 HA1 GLY 37 6.133 7.776 -3.607 281 H PHE 38 HN PHE 38 9.137 6.496 -4.894 282 HA PHE 38 HA PHE 38 10.254 5.525 -2.434 283 1HB PHE 38 HB2 PHE 38 10.971 5.903 -5.177 284 2HB PHE 38 HB1 PHE 38 12.261 6.578 -4.180 285 HD1 PHE 38 HD2 PHE 38 12.618 5.019 -1.913 286 HD2 PHE 38 HD1 PHE 38 11.308 3.682 -5.778 287 HE1 PHE 38 HE2 PHE 38 13.408 2.727 -1.387 288 HE2 PHE 38 HE1 PHE 38 12.097 1.389 -5.252 289 HZ PHE 38 HZ PHE 38 13.156 0.914 -3.061 290 H GLU 39 HN GLU 39 9.770 8.744 -3.676 291 HA GLU 39 HA GLU 39 11.807 10.224 -2.401 292 1HB GLU 39 HB2 GLU 39 10.232 11.240 -3.918 293 2HB GLU 39 HB1 GLU 39 8.865 10.758 -2.915 294 1HG GLU 39 HG2 GLU 39 9.020 12.836 -2.021 295 2HG GLU 39 HG1 GLU 39 10.415 12.206 -1.146 296 H LYS 40 HN LYS 40 9.104 8.495 -1.071 297 HA LYS 40 HA LYS 40 9.933 9.325 1.678 298 1HB LYS 40 HB2 LYS 40 7.288 9.531 0.285 299 2HB LYS 40 HB1 LYS 40 7.293 9.171 2.012 300 1HG LYS 40 HG2 LYS 40 9.106 11.355 1.178 301 2HG LYS 40 HG1 LYS 40 7.385 11.696 0.997 302 1HD LYS 40 HD2 LYS 40 7.299 12.124 3.203 303 2HD LYS 40 HD1 LYS 40 7.645 10.419 3.495 304 1HE LYS 40 HE2 LYS 40 9.327 11.727 4.667 305 2HE LYS 40 HE1 LYS 40 10.117 10.992 3.258 306 1HZ LYS 40 HZ3 LYS 40 9.445 13.061 2.018 307 2HZ LYS 40 HZ2 LYS 40 9.070 13.754 3.523 308 3HZ LYS 40 HZ1 LYS 40 10.663 13.272 3.179 309 H ARG 41 HN ARG 41 10.059 6.838 -0.234 310 HA ARG 41 HA ARG 41 9.680 4.503 -0.067 311 1HB ARG 41 HB2 ARG 41 10.928 5.682 2.209 312 2HB ARG 41 HB1 ARG 41 9.867 4.402 2.801 313 1HG ARG 41 HG2 ARG 41 11.826 3.216 2.331 314 2HG ARG 41 HG1 ARG 41 10.908 3.005 0.840 315 1HD ARG 41 HD2 ARG 41 13.166 3.651 0.219 316 2HD ARG 41 HD1 ARG 41 12.124 5.057 -0.066 317 HE ARG 41 HE ARG 41 12.944 5.294 2.596 318 1HH1 ARG 41 HH21 ARG 41 14.447 5.010 -0.503 319 2HH1 ARG 41 HH22 ARG 41 15.844 5.927 -0.050 320 1HH2 ARG 41 HH11 ARG 41 14.763 6.489 3.193 321 2HH2 ARG 41 HH12 ARG 41 16.024 6.761 2.037 322 H GLU 42 HN GLU 42 7.261 5.611 -0.409 323 HA GLU 42 HA GLU 42 5.520 4.108 1.483 324 1HB GLU 42 HB2 GLU 42 4.063 6.199 1.548 325 2HB GLU 42 HB1 GLU 42 5.610 6.349 2.380 326 1HG GLU 42 HG2 GLU 42 5.568 8.308 1.117 327 2HG GLU 42 HG1 GLU 42 6.454 7.224 0.045 328 H ALA 43 HN ALA 43 3.488 3.504 0.514 329 HA ALA 43 HA ALA 43 3.412 3.893 -2.464 330 1HB ALA 43 HB1 ALA 43 3.822 1.597 -1.498 331 2HB ALA 43 HB3 ALA 43 2.227 1.687 -0.750 332 3HB ALA 43 HB2 ALA 43 2.379 1.693 -2.507 333 H VAL 44 HN VAL 44 1.517 4.791 -3.320 334 HA VAL 44 HA VAL 44 -0.615 5.490 -1.337 335 HB VAL 44 HB VAL 44 0.675 7.270 -2.595 336 1HG1 VAL 44 HG12 VAL 44 0.484 5.641 -4.722 337 2HG1 VAL 44 HG11 VAL 44 -0.928 6.652 -5.026 338 3HG1 VAL 44 HG13 VAL 44 0.670 7.386 -4.889 339 1HG2 VAL 44 HG21 VAL 44 -2.015 7.126 -1.966 340 2HG2 VAL 44 HG23 VAL 44 -1.170 8.587 -2.476 341 3HG2 VAL 44 HG22 VAL 44 -2.043 7.615 -3.660 342 H VAL 45 HN VAL 45 -2.203 3.962 -1.433 343 HA VAL 45 HA VAL 45 -3.008 3.009 -4.159 344 HB VAL 45 HB VAL 45 -2.996 1.609 -1.476 345 1HG1 VAL 45 HG12 VAL 45 -4.671 1.108 -3.601 346 2HG1 VAL 45 HG11 VAL 45 -3.306 0.050 -3.958 347 3HG1 VAL 45 HG13 VAL 45 -4.160 -0.100 -2.422 348 1HG2 VAL 45 HG21 VAL 45 -0.997 2.038 -3.496 349 2HG2 VAL 45 HG23 VAL 45 -0.856 1.136 -1.989 350 3HG2 VAL 45 HG22 VAL 45 -1.416 0.330 -3.451 351 H THR 46 HN THR 46 -5.142 2.902 -4.610 352 HA THR 46 HA THR 46 -7.066 4.042 -2.624 353 HB THR 46 HB THR 46 -6.725 4.094 -5.618 354 HG1 THR 46 HG1 THR 46 -6.130 5.983 -4.917 355 1HG2 THR 46 HG21 THR 46 -9.303 4.204 -4.090 356 2HG2 THR 46 HG23 THR 46 -9.110 5.184 -5.543 357 3HG2 THR 46 HG22 THR 46 -8.956 3.431 -5.635 358 H PHE 47 HN PHE 47 -9.281 2.903 -2.768 359 HA PHE 47 HA PHE 47 -9.428 0.363 -4.149 360 1HB PHE 47 HB2 PHE 47 -9.223 -1.045 -2.138 361 2HB PHE 47 HB1 PHE 47 -7.744 -0.112 -2.385 362 HD1 PHE 47 HD2 PHE 47 -10.974 -0.164 -0.481 363 HD2 PHE 47 HD1 PHE 47 -7.006 1.471 -0.798 364 HE1 PHE 47 HE2 PHE 47 -11.240 0.900 1.728 365 HE2 PHE 47 HE1 PHE 47 -7.273 2.535 1.425 366 HZ PHE 47 HZ PHE 47 -9.382 2.250 2.688 367 H ASP 48 HN ASP 48 -11.224 -0.989 -2.981 368 HA ASP 48 HA ASP 48 -13.444 0.928 -2.390 369 1HB ASP 48 HB2 ASP 48 -13.596 -1.989 -3.214 370 2HB ASP 48 HB1 ASP 48 -14.879 -0.782 -3.305 371 H ASP 49 HN ASP 49 -13.825 1.040 -0.219 372 HA ASP 49 HA ASP 49 -12.699 -0.711 1.709 373 1HB ASP 49 HB2 ASP 49 -13.357 1.466 2.364 374 2HB ASP 49 HB1 ASP 49 -14.969 1.279 1.674 375 H THR 50 HN THR 50 -15.355 -1.232 -0.360 376 HA THR 50 HA THR 50 -17.037 -2.858 1.327 377 HB THR 50 HB THR 50 -17.619 -1.741 -0.853 378 HG1 THR 50 HG1 THR 50 -18.318 -4.147 0.026 379 1HG2 THR 50 HG21 THR 50 -15.332 -3.063 -1.739 380 2HG2 THR 50 HG23 THR 50 -16.658 -3.944 -2.499 381 3HG2 THR 50 HG22 THR 50 -16.495 -2.205 -2.749 382 H LYS 51 HN LYS 51 -13.962 -3.433 -0.084 383 HA LYS 51 HA LYS 51 -14.140 -6.313 0.669 384 1HB LYS 51 HB2 LYS 51 -13.378 -5.101 -1.996 385 2HB LYS 51 HB1 LYS 51 -12.884 -6.732 -1.542 386 1HG LYS 51 HG2 LYS 51 -15.253 -7.343 -1.178 387 2HG LYS 51 HG1 LYS 51 -15.739 -5.719 -1.664 388 1HD LYS 51 HD2 LYS 51 -13.990 -6.716 -3.677 389 2HD LYS 51 HD1 LYS 51 -15.175 -7.978 -3.337 390 1HE LYS 51 HE2 LYS 51 -17.015 -6.382 -3.683 391 2HE LYS 51 HE1 LYS 51 -15.844 -5.080 -3.975 392 1HZ LYS 51 HZ1 LYS 51 -14.873 -6.843 -5.632 393 2HZ LYS 51 HZ3 LYS 51 -16.467 -7.423 -5.628 394 3HZ LYS 51 HZ2 LYS 51 -16.147 -5.823 -6.101 395 H ALA 52 HN ALA 52 -12.624 -3.513 1.246 396 HA ALA 52 HA ALA 52 -10.200 -4.772 2.248 397 1HB ALA 52 HB3 ALA 52 -9.826 -4.634 -0.227 398 2HB ALA 52 HB2 ALA 52 -9.993 -2.882 -0.115 399 3HB ALA 52 HB1 ALA 52 -8.655 -3.694 0.698 400 H SER 53 HN SER 53 -8.548 -2.602 2.480 401 HA SER 53 HA SER 53 -9.688 -0.079 3.074 402 1HB SER 53 HB2 SER 53 -11.136 -1.006 4.660 403 2HB SER 53 HB1 SER 53 -9.969 -2.234 5.145 404 HG SER 53 HG SER 53 -10.412 0.169 6.208 405 H VAL 54 HN VAL 54 -8.214 1.239 4.477 406 HA VAL 54 HA VAL 54 -5.521 1.097 3.915 407 HB VAL 54 HB VAL 54 -7.269 2.296 5.948 408 1HG1 VAL 54 HG13 VAL 54 -4.385 1.691 6.638 409 2HG1 VAL 54 HG12 VAL 54 -5.250 3.058 7.342 410 3HG1 VAL 54 HG11 VAL 54 -5.820 1.413 7.625 411 1HG2 VAL 54 HG23 VAL 54 -4.897 3.109 4.283 412 2HG2 VAL 54 HG22 VAL 54 -6.574 3.631 4.124 413 3HG2 VAL 54 HG21 VAL 54 -5.595 4.202 5.477 414 H GLN 55 HN GLN 55 -7.063 -0.329 6.818 415 HA GLN 55 HA GLN 55 -4.862 -1.521 8.043 416 1HB GLN 55 HB2 GLN 55 -7.109 -1.560 8.963 417 2HB GLN 55 HB1 GLN 55 -7.693 -2.526 7.606 418 1HG GLN 55 HG2 GLN 55 -7.293 -3.927 9.611 419 2HG GLN 55 HG1 GLN 55 -6.231 -4.384 8.278 420 1HE2 GLN 55 HE22 GLN 55 -3.758 -4.186 10.884 421 2HE2 GLN 55 HE21 GLN 55 -4.801 -5.265 10.090 422 H LYS 56 HN LYS 56 -6.833 -2.860 5.387 423 HA LYS 56 HA LYS 56 -5.259 -5.269 5.104 424 1HB LYS 56 HB2 LYS 56 -7.322 -3.795 3.458 425 2HB LYS 56 HB1 LYS 56 -6.591 -5.296 2.888 426 1HG LYS 56 HG2 LYS 56 -8.082 -4.936 5.504 427 2HG LYS 56 HG1 LYS 56 -8.694 -5.765 4.073 428 1HD LYS 56 HD2 LYS 56 -6.216 -6.957 4.526 429 2HD LYS 56 HD1 LYS 56 -6.889 -6.746 6.143 430 1HE LYS 56 HE2 LYS 56 -8.864 -7.990 5.588 431 2HE LYS 56 HE1 LYS 56 -8.470 -7.966 3.858 432 1HZ LYS 56 HZ2 LYS 56 -6.712 -9.151 5.937 433 2HZ LYS 56 HZ1 LYS 56 -7.811 -10.057 5.010 434 3HZ LYS 56 HZ3 LYS 56 -6.523 -9.255 4.252 435 H LEU 57 HN LEU 57 -4.984 -2.015 3.714 436 HA LEU 57 HA LEU 57 -3.275 -2.765 1.508 437 1HB LEU 57 HB2 LEU 57 -3.418 -0.173 3.084 438 2HB LEU 57 HB1 LEU 57 -2.811 -0.363 1.442 439 HG LEU 57 HG LEU 57 -5.660 -0.980 2.273 440 1HD1 LEU 57 HD13 LEU 57 -4.382 1.519 1.995 441 2HD1 LEU 57 HD12 LEU 57 -5.302 1.284 0.508 442 3HD1 LEU 57 HD11 LEU 57 -6.118 1.216 2.071 443 1HD2 LEU 57 HD22 LEU 57 -4.767 -2.151 0.231 444 2HD2 LEU 57 HD21 LEU 57 -6.080 -1.032 -0.133 445 3HD2 LEU 57 HD23 LEU 57 -4.411 -0.572 -0.470 446 H THR 58 HN THR 58 -2.504 -1.157 4.609 447 HA THR 58 HA THR 58 0.309 -1.442 4.488 448 HB THR 58 HB THR 58 -0.756 -0.009 6.109 449 HG1 THR 58 HG1 THR 58 -0.038 -1.233 8.135 450 1HG2 THR 58 HG22 THR 58 -2.619 -2.110 6.270 451 2HG2 THR 58 HG21 THR 58 -1.912 -1.984 7.881 452 3HG2 THR 58 HG23 THR 58 -2.673 -0.577 7.140 453 H LYS 59 HN LYS 59 -2.230 -3.733 5.352 454 HA LYS 59 HA LYS 59 -0.494 -5.667 6.580 455 1HB LYS 59 HB2 LYS 59 -3.057 -5.335 6.725 456 2HB LYS 59 HB1 LYS 59 -3.119 -6.209 5.194 457 1HG LYS 59 HG2 LYS 59 -1.690 -8.006 6.361 458 2HG LYS 59 HG1 LYS 59 -2.117 -7.195 7.868 459 1HD LYS 59 HD2 LYS 59 -4.387 -7.712 7.660 460 2HD LYS 59 HD1 LYS 59 -4.277 -7.939 5.913 461 1HE LYS 59 HE2 LYS 59 -4.506 -10.124 7.060 462 2HE LYS 59 HE1 LYS 59 -2.909 -9.997 6.298 463 1HZ LYS 59 HZ3 LYS 59 -3.215 -8.932 9.003 464 2HZ LYS 59 HZ2 LYS 59 -3.169 -10.621 8.836 465 3HZ LYS 59 HZ1 LYS 59 -1.872 -9.673 8.281 466 H ALA 60 HN ALA 60 -1.612 -5.039 3.273 467 HA ALA 60 HA ALA 60 -0.677 -7.494 2.142 468 1HB ALA 60 HB2 ALA 60 -2.281 -5.600 1.298 469 2HB ALA 60 HB1 ALA 60 -0.797 -4.863 0.694 470 3HB ALA 60 HB3 ALA 60 -1.285 -6.459 0.123 471 H THR 61 HN THR 61 0.827 -4.292 2.570 472 HA THR 61 HA THR 61 3.279 -5.010 1.204 473 HB THR 61 HB THR 61 2.563 -2.688 1.432 474 HG1 THR 61 HG1 THR 61 4.723 -3.019 3.219 475 1HG2 THR 61 HG23 THR 61 2.575 -3.365 4.372 476 2HG2 THR 61 HG22 THR 61 2.656 -1.698 3.806 477 3HG2 THR 61 HG21 THR 61 1.257 -2.695 3.411 478 H ALA 62 HN ALA 62 2.028 -5.167 4.438 479 HA ALA 62 HA ALA 62 4.454 -5.748 5.839 480 1HB ALA 62 HB2 ALA 62 1.615 -5.605 6.288 481 2HB ALA 62 HB1 ALA 62 2.230 -7.090 7.014 482 3HB ALA 62 HB3 ALA 62 2.911 -5.533 7.482 483 H ASP 63 HN ASP 63 2.095 -7.737 4.091 484 HA ASP 63 HA ASP 63 3.563 -10.219 4.754 485 1HB ASP 63 HB2 ASP 63 0.920 -9.397 3.918 486 2HB ASP 63 HB1 ASP 63 1.532 -10.637 2.822 487 H ALA 64 HN ALA 64 3.757 -7.744 2.468 488 HA ALA 64 HA ALA 64 4.552 -9.392 0.171 489 1HB ALA 64 HB1 ALA 64 3.706 -6.747 0.714 490 2HB ALA 64 HB3 ALA 64 5.351 -6.605 0.098 491 3HB ALA 64 HB2 ALA 64 4.116 -7.420 -0.863 492 H GLY 65 HN GLY 65 6.001 -7.853 2.935 493 1HA GLY 65 HA2 GLY 65 8.261 -9.026 3.431 494 2HA GLY 65 HA1 GLY 65 8.718 -8.422 1.842 495 H TYR 66 HN TYR 66 6.682 -6.344 3.766 496 HA TYR 66 HA TYR 66 9.053 -4.857 4.781 497 1HB TYR 66 HB2 TYR 66 6.899 -3.620 3.055 498 2HB TYR 66 HB1 TYR 66 8.366 -2.843 3.636 499 HD1 TYR 66 HD1 TYR 66 10.601 -4.092 2.991 500 HD2 TYR 66 HD2 TYR 66 6.850 -4.476 0.964 501 HE1 TYR 66 HE1 TYR 66 11.788 -4.804 0.950 502 HE2 TYR 66 HE2 TYR 66 8.015 -5.181 -1.086 503 HH TYR 66 HH TYR 66 10.527 -4.759 -2.022 504 HA PRO 67 HA PRO 67 5.856 -4.574 8.005 505 1HB PRO 67 HB2 PRO 67 7.805 -3.208 9.617 506 2HB PRO 67 HB1 PRO 67 7.252 -4.877 9.785 507 1HG PRO 67 HG2 PRO 67 9.808 -3.948 8.845 508 2HG PRO 67 HG1 PRO 67 9.261 -5.615 9.046 509 1HD PRO 67 HD2 PRO 67 9.679 -4.183 6.579 510 2HD PRO 67 HD1 PRO 67 9.103 -5.856 6.784 511 H SER 68 HN SER 68 4.675 -2.949 6.794 512 HA SER 68 HA SER 68 5.765 -0.173 6.912 513 1HB SER 68 HB2 SER 68 5.222 -0.356 4.725 514 2HB SER 68 HB1 SER 68 4.333 -1.847 5.010 515 HG SER 68 HG SER 68 2.562 -0.583 5.664 516 H SER 69 HN SER 69 3.590 1.355 6.641 517 HA SER 69 HA SER 69 1.590 0.656 8.725 518 1HB SER 69 HB2 SER 69 3.757 2.668 8.806 519 2HB SER 69 HB1 SER 69 2.168 3.299 9.229 520 HG SER 69 HG SER 69 3.818 1.761 10.672 521 H VAL 70 HN VAL 70 0.276 3.130 8.671 522 HA VAL 70 HA VAL 70 -0.209 3.642 5.785 523 HB VAL 70 HB VAL 70 -1.575 1.812 6.977 524 1HG1 VAL 70 HG11 VAL 70 -2.024 3.811 8.803 525 2HG1 VAL 70 HG13 VAL 70 -3.490 3.893 7.826 526 3HG1 VAL 70 HG12 VAL 70 -3.043 2.383 8.620 527 1HG2 VAL 70 HG21 VAL 70 -2.248 3.789 4.996 528 2HG2 VAL 70 HG23 VAL 70 -2.794 2.115 5.099 529 3HG2 VAL 70 HG22 VAL 70 -3.697 3.390 5.917 530 H LYS 71 HN LYS 71 -1.250 5.684 5.342 531 HA LYS 71 HA LYS 71 -1.183 7.566 7.685 532 1HB LYS 71 HB2 LYS 71 -0.823 8.423 4.829 533 2HB LYS 71 HB1 LYS 71 -0.176 9.163 6.292 534 1HG LYS 71 HG2 LYS 71 0.901 6.585 6.288 535 2HG LYS 71 HG1 LYS 71 0.992 7.104 4.604 536 1HD LYS 71 HD2 LYS 71 1.723 9.269 6.375 537 2HD LYS 71 HD1 LYS 71 2.711 7.845 6.704 538 1HE LYS 71 HE2 LYS 71 3.616 7.811 4.536 539 2HE LYS 71 HE1 LYS 71 2.265 8.742 3.857 540 1HZ LYS 71 HZ1 LYS 71 4.042 9.846 5.951 541 2HZ LYS 71 HZ3 LYS 71 4.398 10.015 4.302 542 3HZ LYS 71 HZ2 LYS 71 2.969 10.683 4.933 543 H GLN 72 HN GLN 72 -3.306 5.931 6.449 544 HA GLN 72 HA GLN 72 -5.580 6.154 5.750 545 1HB GLN 72 HB2 GLN 72 -5.000 7.450 8.088 546 2HB GLN 72 HB1 GLN 72 -5.716 8.760 7.148 547 1HG GLN 72 HG2 GLN 72 -7.075 6.087 7.186 548 2HG GLN 72 HG1 GLN 72 -7.261 7.163 8.571 549 1HE2 GLN 72 HE22 GLN 72 -9.810 8.898 6.880 550 2HE2 GLN 72 HE21 GLN 72 -9.267 8.178 8.318 No H/Q in entry = 550 Start of MODEL 9 1 1H ALA 1 HT3 ALA 1 17.828 3.876 0.675 2 2H ALA 1 HT2 ALA 1 18.684 3.212 -0.632 3 3H ALA 1 HT1 ALA 1 17.942 4.732 -0.784 4 HA ALA 1 HA ALA 1 16.281 3.578 -1.766 5 1HB ALA 1 HB1 ALA 1 17.672 1.342 -0.306 6 2HB ALA 1 HB3 ALA 1 16.108 1.054 -1.067 7 3HB ALA 1 HB2 ALA 1 17.481 1.577 -2.043 8 H THR 2 HN THR 2 14.862 4.945 -0.489 9 HA THR 2 HA THR 2 13.211 3.509 1.405 10 HB THR 2 HB THR 2 14.679 4.276 3.001 11 HG1 THR 2 HG1 THR 2 12.595 5.141 3.374 12 1HG2 THR 2 HG21 THR 2 15.035 6.741 1.292 13 2HG2 THR 2 HG23 THR 2 15.747 6.558 2.894 14 3HG2 THR 2 HG22 THR 2 16.225 5.473 1.588 15 H GLN 3 HN GLN 3 11.587 3.850 -0.088 16 HA GLN 3 HA GLN 3 10.956 6.695 -0.793 17 1HB GLN 3 HB2 GLN 3 10.913 4.106 -2.134 18 2HB GLN 3 HB1 GLN 3 9.395 4.980 -2.341 19 1HG GLN 3 HG2 GLN 3 11.342 6.944 -2.675 20 2HG GLN 3 HG1 GLN 3 12.018 5.536 -3.493 21 1HE2 GLN 3 HE22 GLN 3 8.352 6.853 -4.840 22 2HE2 GLN 3 HE21 GLN 3 8.690 6.924 -3.178 23 H THR 4 HN THR 4 8.887 7.513 -0.520 24 HA THR 4 HA THR 4 6.973 5.895 1.130 25 HB THR 4 HB THR 4 7.507 8.885 1.197 26 HG1 THR 4 HG1 THR 4 8.492 6.732 2.731 27 1HG2 THR 4 HG22 THR 4 5.240 7.913 1.936 28 2HG2 THR 4 HG21 THR 4 6.128 7.187 3.275 29 3HG2 THR 4 HG23 THR 4 6.088 8.941 3.091 30 H VAL 5 HN VAL 5 5.377 5.390 -0.372 31 HA VAL 5 HA VAL 5 4.361 7.590 -2.140 32 HB VAL 5 HB VAL 5 3.850 5.559 -3.603 33 1HG1 VAL 5 HG11 VAL 5 5.775 7.170 -3.906 34 2HG1 VAL 5 HG13 VAL 5 6.773 6.031 -3.001 35 3HG1 VAL 5 HG12 VAL 5 6.068 5.553 -4.546 36 1HG2 VAL 5 HG21 VAL 5 4.261 4.022 -1.541 37 2HG2 VAL 5 HG23 VAL 5 4.829 3.484 -3.120 38 3HG2 VAL 5 HG22 VAL 5 5.963 4.190 -1.969 39 H THR 6 HN THR 6 2.073 7.268 -2.743 40 HA THR 6 HA THR 6 0.506 6.044 -0.530 41 HB THR 6 HB THR 6 -1.232 7.600 -1.820 42 HG1 THR 6 HG1 THR 6 0.259 9.482 -2.429 43 1HG2 THR 6 HG21 THR 6 0.025 7.791 0.518 44 2HG2 THR 6 HG23 THR 6 0.838 9.122 -0.306 45 3HG2 THR 6 HG22 THR 6 -0.916 9.137 -0.127 46 H LEU 7 HN LEU 7 -1.469 4.846 -1.314 47 HA LEU 7 HA LEU 7 -1.119 3.862 -4.115 48 1HB LEU 7 HB2 LEU 7 -0.885 2.521 -1.537 49 2HB LEU 7 HB1 LEU 7 -2.067 1.731 -2.576 50 HG LEU 7 HG LEU 7 -0.482 1.361 -4.281 51 1HD1 LEU 7 HD12 LEU 7 1.139 3.447 -2.863 52 2HD1 LEU 7 HD11 LEU 7 1.892 2.322 -3.994 53 3HD1 LEU 7 HD13 LEU 7 0.618 3.403 -4.542 54 1HD2 LEU 7 HD23 LEU 7 -0.027 0.370 -1.742 55 2HD2 LEU 7 HD22 LEU 7 0.778 -0.197 -3.202 56 3HD2 LEU 7 HD21 LEU 7 1.551 1.018 -2.186 57 H ALA 8 HN ALA 8 -3.074 2.958 -5.033 58 HA ALA 8 HA ALA 8 -5.550 4.155 -3.820 59 1HB ALA 8 HB2 ALA 8 -4.294 4.430 -6.325 60 2HB ALA 8 HB1 ALA 8 -5.719 3.436 -6.625 61 3HB ALA 8 HB3 ALA 8 -5.893 5.023 -5.877 62 H VAL 9 HN VAL 9 -6.904 2.622 -2.978 63 HA VAL 9 HA VAL 9 -6.871 -0.143 -4.145 64 HB VAL 9 HB VAL 9 -8.139 0.736 -1.549 65 1HG1 VAL 9 HG11 VAL 9 -8.546 -1.551 -2.403 66 2HG1 VAL 9 HG13 VAL 9 -6.808 -1.849 -2.371 67 3HG1 VAL 9 HG12 VAL 9 -7.680 -1.551 -0.867 68 1HG2 VAL 9 HG22 VAL 9 -5.778 1.591 -1.631 69 2HG2 VAL 9 HG21 VAL 9 -6.061 0.399 -0.362 70 3HG2 VAL 9 HG23 VAL 9 -5.239 -0.074 -1.849 71 HA PRO 10 HA PRO 10 -10.901 1.469 -5.582 72 1HB PRO 10 HB2 PRO 10 -11.020 -0.560 -7.539 73 2HB PRO 10 HB1 PRO 10 -10.471 1.102 -7.777 74 1HG PRO 10 HG2 PRO 10 -8.897 -1.329 -7.782 75 2HG PRO 10 HG1 PRO 10 -8.380 0.316 -8.159 76 1HD PRO 10 HD2 PRO 10 -7.831 -1.221 -5.764 77 2HD PRO 10 HD1 PRO 10 -7.264 0.417 -6.173 78 H GLY 11 HN GLY 11 -10.452 -0.657 -3.378 79 1HA GLY 11 HA2 GLY 11 -12.570 -2.609 -4.025 80 2HA GLY 11 HA1 GLY 11 -11.553 -2.625 -2.581 81 H MET 12 HN MET 12 -11.853 -0.355 -1.331 82 HA MET 12 HA MET 12 -13.337 0.823 0.083 83 1HB MET 12 HB2 MET 12 -13.734 1.532 -2.475 84 2HB MET 12 HB1 MET 12 -15.314 0.810 -2.169 85 1HG MET 12 HG2 MET 12 -14.380 2.573 -0.011 86 2HG MET 12 HG1 MET 12 -14.627 3.400 -1.548 87 1HE MET 12 HE2 MET 12 -16.369 2.876 -3.044 88 2HE MET 12 HE1 MET 12 -18.054 2.540 -2.657 89 3HE MET 12 HE3 MET 12 -17.362 4.130 -2.305 90 H THR 13 HN THR 13 -13.422 -1.846 0.544 91 HA THR 13 HA THR 13 -16.101 -2.957 0.299 92 HB THR 13 HB THR 13 -13.570 -3.897 0.624 93 HG1 THR 13 HG1 THR 13 -14.764 -5.877 1.356 94 1HG2 THR 13 HG21 THR 13 -14.857 -3.940 3.358 95 2HG2 THR 13 HG23 THR 13 -13.525 -4.992 2.886 96 3HG2 THR 13 HG22 THR 13 -13.298 -3.244 2.914 97 H CYS 14 HN CYS 14 -14.978 -0.449 2.089 98 HA CYS 14 HA CYS 14 -16.053 0.762 3.801 99 1HB CYS 14 HB2 CYS 14 -18.024 -0.767 2.991 100 2HB CYS 14 HB1 CYS 14 -17.682 -1.678 4.463 101 HG CYS 14 HG CYS 14 -17.884 1.215 5.198 102 H ALA 15 HN ALA 15 -14.157 0.788 5.033 103 HA ALA 15 HA ALA 15 -12.946 0.433 7.026 104 1HB ALA 15 HB1 ALA 15 -15.417 0.130 7.741 105 2HB ALA 15 HB3 ALA 15 -15.058 -1.597 7.733 106 3HB ALA 15 HB2 ALA 15 -14.169 -0.516 8.806 107 H ALA 16 HN ALA 16 -12.331 -1.203 4.644 108 HA ALA 16 HA ALA 16 -10.761 -3.262 6.016 109 1HB ALA 16 HB2 ALA 16 -13.379 -3.828 4.924 110 2HB ALA 16 HB1 ALA 16 -12.147 -4.772 4.083 111 3HB ALA 16 HB3 ALA 16 -12.306 -4.890 5.834 112 H CYS 17 HN CYS 17 -11.938 -1.969 2.903 113 HA CYS 17 HA CYS 17 -10.150 -3.062 1.096 114 1HB CYS 17 HB2 CYS 17 -11.465 -1.593 -0.004 115 2HB CYS 17 HB1 CYS 17 -11.712 -0.621 1.438 116 HG CYS 17 HG CYS 17 -9.180 0.356 0.781 117 HA PRO 18 HA PRO 18 -6.653 -0.077 2.413 118 1HB PRO 18 HB2 PRO 18 -7.182 1.558 4.582 119 2HB PRO 18 HB1 PRO 18 -7.450 2.007 2.893 120 1HG PRO 18 HG2 PRO 18 -9.423 1.407 4.980 121 2HG PRO 18 HG1 PRO 18 -9.653 2.212 3.424 122 1HD PRO 18 HD2 PRO 18 -10.346 -0.500 4.122 123 2HD PRO 18 HD1 PRO 18 -10.536 0.308 2.548 124 H ILE 19 HN ILE 19 -8.468 -1.771 4.859 125 HA ILE 19 HA ILE 19 -6.358 -1.761 6.887 126 HB ILE 19 HB ILE 19 -8.899 -3.371 6.487 127 1HG1 ILE 19 HG12 ILE 19 -8.308 -0.976 8.258 128 2HG1 ILE 19 HG11 ILE 19 -9.184 -0.900 6.729 129 1HG2 ILE 19 HG22 ILE 19 -7.045 -4.317 8.030 130 2HG2 ILE 19 HG21 ILE 19 -7.434 -2.962 9.090 131 3HG2 ILE 19 HG23 ILE 19 -8.669 -4.159 8.699 132 1HD1 ILE 19 HD13 ILE 19 -10.605 -2.845 7.905 133 2HD1 ILE 19 HD12 ILE 19 -10.049 -2.010 9.356 134 3HD1 ILE 19 HD11 ILE 19 -10.984 -1.138 8.141 135 H THR 20 HN THR 20 -7.776 -4.290 4.803 136 HA THR 20 HA THR 20 -5.850 -6.311 5.397 137 HB THR 20 HB THR 20 -8.090 -5.723 3.622 138 HG1 THR 20 HG1 THR 20 -6.942 -8.147 4.539 139 1HG2 THR 20 HG22 THR 20 -6.400 -5.908 1.847 140 2HG2 THR 20 HG21 THR 20 -5.887 -7.466 2.493 141 3HG2 THR 20 HG23 THR 20 -7.504 -7.283 1.812 142 H VAL 21 HN VAL 21 -6.074 -3.715 3.017 143 HA VAL 21 HA VAL 21 -3.784 -4.402 1.479 144 HB VAL 21 HB VAL 21 -5.360 -1.900 2.078 145 1HG1 VAL 21 HG13 VAL 21 -2.750 -2.165 0.643 146 2HG1 VAL 21 HG12 VAL 21 -3.963 -1.084 -0.041 147 3HG1 VAL 21 HG11 VAL 21 -3.372 -0.819 1.598 148 1HG2 VAL 21 HG23 VAL 21 -4.987 -3.702 -0.330 149 2HG2 VAL 21 HG22 VAL 21 -6.444 -3.513 0.639 150 3HG2 VAL 21 HG21 VAL 21 -5.887 -2.187 -0.382 151 H LYS 22 HN LYS 22 -4.263 -2.385 4.361 152 HA LYS 22 HA LYS 22 -1.670 -1.307 4.662 153 1HB LYS 22 HB2 LYS 22 -3.462 -0.635 6.102 154 2HB LYS 22 HB1 LYS 22 -3.758 -2.294 6.620 155 1HG LYS 22 HG2 LYS 22 -2.095 -2.240 8.167 156 2HG LYS 22 HG1 LYS 22 -1.007 -1.349 7.101 157 1HD LYS 22 HD2 LYS 22 -2.355 0.718 7.543 158 2HD LYS 22 HD1 LYS 22 -3.302 -0.198 8.716 159 1HE LYS 22 HE2 LYS 22 -0.280 0.043 8.877 160 2HE LYS 22 HE1 LYS 22 -1.390 1.128 9.737 161 1HZ LYS 22 HZ1 LYS 22 -2.488 -1.218 10.296 162 2HZ LYS 22 HZ3 LYS 22 -0.869 -1.706 10.165 163 3HZ LYS 22 HZ2 LYS 22 -1.304 -0.503 11.283 164 H LYS 23 HN LYS 23 -2.902 -4.528 5.570 165 HA LYS 23 HA LYS 23 -0.441 -5.378 6.840 166 1HB LYS 23 HB2 LYS 23 -2.611 -7.084 5.610 167 2HB LYS 23 HB1 LYS 23 -1.563 -7.497 6.967 168 1HG LYS 23 HG2 LYS 23 -2.592 -5.472 8.166 169 2HG LYS 23 HG1 LYS 23 -3.817 -5.490 6.897 170 1HD LYS 23 HD2 LYS 23 -3.183 -7.682 8.885 171 2HD LYS 23 HD1 LYS 23 -4.702 -6.806 8.691 172 1HE LYS 23 HE2 LYS 23 -4.386 -7.817 6.170 173 2HE LYS 23 HE1 LYS 23 -3.657 -9.106 7.148 174 1HZ LYS 23 HZ3 LYS 23 -5.610 -8.993 8.616 175 2HZ LYS 23 HZ2 LYS 23 -6.324 -7.862 7.569 176 3HZ LYS 23 HZ1 LYS 23 -6.025 -9.447 7.035 177 H ALA 24 HN ALA 24 -1.603 -5.384 3.560 178 HA ALA 24 HA ALA 24 0.153 -7.386 2.521 179 1HB ALA 24 HB3 ALA 24 -1.902 -5.624 1.665 180 2HB ALA 24 HB2 ALA 24 -0.522 -5.360 0.601 181 3HB ALA 24 HB1 ALA 24 -1.207 -6.977 0.772 182 H LEU 25 HN LEU 25 0.318 -3.818 2.291 183 HA LEU 25 HA LEU 25 2.933 -3.705 1.137 184 1HB LEU 25 HB2 LEU 25 1.393 -1.739 2.854 185 2HB LEU 25 HB1 LEU 25 2.725 -1.333 1.771 186 HG LEU 25 HG LEU 25 1.089 -2.728 0.089 187 1HD1 LEU 25 HD12 LEU 25 -0.515 -1.869 2.353 188 2HD1 LEU 25 HD11 LEU 25 -1.079 -1.153 0.842 189 3HD1 LEU 25 HD13 LEU 25 -0.955 -2.905 0.994 190 1HD2 LEU 25 HD21 LEU 25 1.901 -0.017 0.571 191 2HD2 LEU 25 HD23 LEU 25 1.464 -0.775 -0.959 192 3HD2 LEU 25 HD22 LEU 25 0.219 -0.026 0.041 193 H SER 26 HN SER 26 1.840 -3.616 4.518 194 HA SER 26 HA SER 26 4.423 -2.936 5.630 195 1HB SER 26 HB2 SER 26 3.296 -3.292 7.704 196 2HB SER 26 HB1 SER 26 2.048 -2.713 6.604 197 HG SER 26 HG SER 26 1.623 -5.002 6.196 198 H LYS 27 HN LYS 27 2.895 -5.956 4.648 199 HA LYS 27 HA LYS 27 5.069 -7.453 5.980 200 1HB LYS 27 HB2 LYS 27 3.468 -9.015 6.295 201 2HB LYS 27 HB1 LYS 27 2.323 -7.874 5.611 202 1HG LYS 27 HG2 LYS 27 3.964 -9.739 3.884 203 2HG LYS 27 HG1 LYS 27 2.390 -10.193 4.533 204 1HD LYS 27 HD2 LYS 27 1.862 -7.710 3.491 205 2HD LYS 27 HD1 LYS 27 3.048 -8.337 2.344 206 1HE LYS 27 HE2 LYS 27 0.745 -8.973 1.667 207 2HE LYS 27 HE1 LYS 27 1.685 -10.413 2.103 208 1HZ LYS 27 HZ2 LYS 27 0.562 -9.268 4.429 209 2HZ LYS 27 HZ1 LYS 27 -0.670 -9.521 3.287 210 3HZ LYS 27 HZ3 LYS 27 0.305 -10.817 3.779 211 H VAL 28 HN VAL 28 4.507 -6.005 3.033 212 HA VAL 28 HA VAL 28 5.193 -7.724 0.980 213 HB VAL 28 HB VAL 28 5.824 -4.897 1.723 214 1HG1 VAL 28 HG12 VAL 28 7.227 -6.461 -0.434 215 2HG1 VAL 28 HG11 VAL 28 6.872 -4.751 -0.679 216 3HG1 VAL 28 HG13 VAL 28 7.890 -5.256 0.670 217 1HG2 VAL 28 HG21 VAL 28 4.417 -6.300 -0.562 218 2HG2 VAL 28 HG23 VAL 28 3.681 -5.362 0.736 219 3HG2 VAL 28 HG22 VAL 28 4.649 -4.553 -0.495 220 H GLU 29 HN GLU 29 7.782 -5.808 2.512 221 HA GLU 29 HA GLU 29 9.437 -7.951 3.382 222 1HB GLU 29 HB2 GLU 29 9.263 -7.457 0.502 223 2HB GLU 29 HB1 GLU 29 10.923 -7.375 1.096 224 1HG GLU 29 HG2 GLU 29 9.664 -9.590 2.371 225 2HG GLU 29 HG1 GLU 29 9.316 -9.701 0.644 226 H GLY 30 HN GLY 30 10.266 -5.238 1.214 227 1HA GLY 30 HA2 GLY 30 12.197 -4.224 3.160 228 2HA GLY 30 HA1 GLY 30 11.830 -3.500 1.592 229 H VAL 31 HN VAL 31 8.865 -3.687 2.408 230 HA VAL 31 HA VAL 31 8.434 -1.016 3.189 231 HB VAL 31 HB VAL 31 6.760 -3.461 3.826 232 1HG1 VAL 31 HG12 VAL 31 6.313 -0.504 3.858 233 2HG1 VAL 31 HG11 VAL 31 4.985 -1.531 3.320 234 3HG1 VAL 31 HG13 VAL 31 5.668 -1.744 4.932 235 1HG2 VAL 31 HG21 VAL 31 7.191 -1.828 1.329 236 2HG2 VAL 31 HG23 VAL 31 7.119 -3.581 1.503 237 3HG2 VAL 31 HG22 VAL 31 5.642 -2.623 1.608 238 H SER 32 HN SER 32 8.528 0.053 5.019 239 HA SER 32 HA SER 32 9.010 -1.477 7.554 240 1HB SER 32 HB2 SER 32 10.082 1.258 6.823 241 2HB SER 32 HB1 SER 32 10.600 0.227 8.153 242 HG SER 32 HG SER 32 10.839 -0.344 5.378 243 H LYS 33 HN LYS 33 7.065 0.777 5.900 244 HA LYS 33 HA LYS 33 5.591 1.320 8.432 245 1HB LYS 33 HB2 LYS 33 6.591 3.348 8.558 246 2HB LYS 33 HB1 LYS 33 7.304 3.168 6.963 247 1HG LYS 33 HG2 LYS 33 5.311 4.013 5.895 248 2HG LYS 33 HG1 LYS 33 4.412 3.957 7.411 249 1HD LYS 33 HD2 LYS 33 6.902 5.639 7.065 250 2HD LYS 33 HD1 LYS 33 5.285 6.258 6.725 251 1HE LYS 33 HE2 LYS 33 4.664 5.459 9.102 252 2HE LYS 33 HE1 LYS 33 6.414 5.341 9.377 253 1HZ LYS 33 HZ3 LYS 33 5.132 7.746 8.208 254 2HZ LYS 33 HZ2 LYS 33 5.389 7.572 9.879 255 3HZ LYS 33 HZ1 LYS 33 6.710 7.597 8.811 256 H VAL 34 HN VAL 34 3.370 1.950 8.033 257 HA VAL 34 HA VAL 34 2.387 1.975 5.246 258 HB VAL 34 HB VAL 34 2.635 -0.398 5.775 259 1HG1 VAL 34 HG13 VAL 34 1.554 0.520 8.360 260 2HG1 VAL 34 HG12 VAL 34 0.862 -0.996 7.783 261 3HG1 VAL 34 HG11 VAL 34 2.606 -0.850 8.003 262 1HG2 VAL 34 HG23 VAL 34 -0.239 0.560 5.960 263 2HG2 VAL 34 HG22 VAL 34 0.647 0.187 4.482 264 3HG2 VAL 34 HG21 VAL 34 0.236 -1.100 5.612 265 H ASP 35 HN ASP 35 -0.034 2.394 5.236 266 HA ASP 35 HA ASP 35 -1.270 3.218 7.771 267 1HB ASP 35 HB2 ASP 35 0.387 5.005 6.301 268 2HB ASP 35 HB1 ASP 35 -1.277 5.559 6.108 269 H VAL 36 HN VAL 36 -3.511 3.795 7.490 270 HA VAL 36 HA VAL 36 -4.635 2.936 4.851 271 HB VAL 36 HB VAL 36 -6.690 2.556 6.342 272 1HG1 VAL 36 HG12 VAL 36 -4.498 0.969 5.783 273 2HG1 VAL 36 HG11 VAL 36 -4.623 0.850 7.539 274 3HG1 VAL 36 HG13 VAL 36 -5.997 0.408 6.526 275 1HG2 VAL 36 HG21 VAL 36 -5.381 4.076 8.146 276 2HG2 VAL 36 HG23 VAL 36 -6.557 2.851 8.619 277 3HG2 VAL 36 HG22 VAL 36 -4.833 2.484 8.671 278 H GLY 37 HN GLY 37 -5.208 4.699 3.650 279 1HA GLY 37 HA2 GLY 37 -6.342 7.067 5.074 280 2HA GLY 37 HA1 GLY 37 -5.514 7.155 3.520 281 H PHE 38 HN PHE 38 -8.396 5.709 5.061 282 HA PHE 38 HA PHE 38 -9.723 5.043 2.605 283 1HB PHE 38 HB2 PHE 38 -10.115 4.773 5.366 284 2HB PHE 38 HB1 PHE 38 -11.485 5.743 4.817 285 HD1 PHE 38 HD2 PHE 38 -11.585 4.698 1.971 286 HD2 PHE 38 HD1 PHE 38 -11.256 2.680 5.745 287 HE1 PHE 38 HE2 PHE 38 -12.618 2.672 0.972 288 HE2 PHE 38 HE1 PHE 38 -12.288 0.656 4.750 289 HZ PHE 38 HZ PHE 38 -12.987 0.656 2.374 290 H GLU 39 HN GLU 39 -9.132 8.066 4.132 291 HA GLU 39 HA GLU 39 -11.416 9.592 3.413 292 1HB GLU 39 HB2 GLU 39 -8.466 10.123 3.755 293 2HB GLU 39 HB1 GLU 39 -9.545 11.426 3.257 294 1HG GLU 39 HG2 GLU 39 -10.972 10.960 5.247 295 2HG GLU 39 HG1 GLU 39 -9.808 9.740 5.764 296 H LYS 40 HN LYS 40 -9.008 8.086 1.463 297 HA LYS 40 HA LYS 40 -10.230 9.246 -0.982 298 1HB LYS 40 HB2 LYS 40 -7.293 9.320 -0.227 299 2HB LYS 40 HB1 LYS 40 -7.910 9.725 -1.829 300 1HG LYS 40 HG2 LYS 40 -9.407 11.438 -0.690 301 2HG LYS 40 HG1 LYS 40 -8.475 11.149 0.780 302 1HD LYS 40 HD2 LYS 40 -6.645 12.257 -0.006 303 2HD LYS 40 HD1 LYS 40 -6.860 11.646 -1.647 304 1HE LYS 40 HE2 LYS 40 -8.905 13.584 -0.648 305 2HE LYS 40 HE1 LYS 40 -7.303 14.224 -1.065 306 1HZ LYS 40 HZ1 LYS 40 -8.729 12.323 -2.828 307 2HZ LYS 40 HZ3 LYS 40 -8.975 13.996 -2.954 308 3HZ LYS 40 HZ2 LYS 40 -7.427 13.345 -3.211 309 H ARG 41 HN ARG 41 -10.234 6.571 0.318 310 HA ARG 41 HA ARG 41 -9.784 4.299 -0.227 311 1HB ARG 41 HB2 ARG 41 -10.671 5.887 -2.525 312 2HB ARG 41 HB1 ARG 41 -9.794 4.440 -3.009 313 1HG ARG 41 HG2 ARG 41 -12.335 4.195 -2.682 314 2HG ARG 41 HG1 ARG 41 -11.308 3.001 -1.889 315 1HD ARG 41 HD2 ARG 41 -13.155 3.966 -0.423 316 2HD ARG 41 HD1 ARG 41 -11.527 4.140 0.244 317 HE ARG 41 HE ARG 41 -11.925 6.423 -1.327 318 1HH1 ARG 41 HH21 ARG 41 -13.469 4.875 1.345 319 2HH1 ARG 41 HH22 ARG 41 -14.086 6.352 2.006 320 1HH2 ARG 41 HH11 ARG 41 -12.719 8.350 -0.475 321 2HH2 ARG 41 HH12 ARG 41 -13.661 8.318 0.978 322 H GLU 42 HN GLU 42 -7.372 5.288 0.472 323 HA GLU 42 HA GLU 42 -5.572 4.097 -1.572 324 1HB GLU 42 HB2 GLU 42 -4.116 6.191 -1.301 325 2HB GLU 42 HB1 GLU 42 -5.618 6.409 -2.200 326 1HG GLU 42 HG2 GLU 42 -6.705 7.432 -0.350 327 2HG GLU 42 HG1 GLU 42 -5.463 6.889 0.778 328 H ALA 43 HN ALA 43 -3.596 3.302 -0.674 329 HA ALA 43 HA ALA 43 -3.430 3.446 2.327 330 1HB ALA 43 HB3 ALA 43 -3.978 1.226 1.134 331 2HB ALA 43 HB2 ALA 43 -2.332 1.278 0.503 332 3HB ALA 43 HB1 ALA 43 -2.607 1.184 2.242 333 H VAL 44 HN VAL 44 -1.525 4.411 3.085 334 HA VAL 44 HA VAL 44 0.568 5.008 1.031 335 HB VAL 44 HB VAL 44 -0.632 6.834 2.294 336 1HG1 VAL 44 HG13 VAL 44 -0.103 5.129 4.462 337 2HG1 VAL 44 HG12 VAL 44 0.936 6.532 4.715 338 3HG1 VAL 44 HG11 VAL 44 -0.807 6.745 4.538 339 1HG2 VAL 44 HG21 VAL 44 1.955 6.719 1.508 340 2HG2 VAL 44 HG23 VAL 44 1.253 8.143 2.275 341 3HG2 VAL 44 HG22 VAL 44 2.186 6.994 3.235 342 H VAL 45 HN VAL 45 2.721 4.393 1.387 343 HA VAL 45 HA VAL 45 3.386 3.055 3.962 344 HB VAL 45 HB VAL 45 3.436 1.736 1.235 345 1HG1 VAL 45 HG11 VAL 45 5.119 1.183 3.284 346 2HG1 VAL 45 HG13 VAL 45 3.743 0.179 3.743 347 3HG1 VAL 45 HG12 VAL 45 4.517 -0.049 2.174 348 1HG2 VAL 45 HG21 VAL 45 1.612 1.505 3.630 349 2HG2 VAL 45 HG23 VAL 45 1.170 1.866 1.964 350 3HG2 VAL 45 HG22 VAL 45 1.709 0.248 2.404 351 H THR 46 HN THR 46 5.574 2.906 4.358 352 HA THR 46 HA THR 46 7.428 4.264 2.438 353 HB THR 46 HB THR 46 7.106 4.077 5.413 354 HG1 THR 46 HG1 THR 46 7.095 6.180 5.218 355 1HG2 THR 46 HG23 THR 46 9.723 4.203 3.952 356 2HG2 THR 46 HG22 THR 46 9.529 5.080 5.470 357 3HG2 THR 46 HG21 THR 46 9.313 3.330 5.429 358 H PHE 47 HN PHE 47 9.631 3.159 2.279 359 HA PHE 47 HA PHE 47 9.908 0.509 3.462 360 1HB PHE 47 HB2 PHE 47 9.586 -0.739 1.376 361 2HB PHE 47 HB1 PHE 47 8.127 0.173 1.765 362 HD1 PHE 47 HD2 PHE 47 11.229 0.211 -0.334 363 HD2 PHE 47 HD1 PHE 47 7.322 1.884 0.348 364 HE1 PHE 47 HE2 PHE 47 11.363 1.404 -2.491 365 HE2 PHE 47 HE1 PHE 47 7.461 3.078 -1.818 366 HZ PHE 47 HZ PHE 47 9.468 2.837 -3.238 367 H ASP 48 HN ASP 48 11.637 -0.747 2.159 368 HA ASP 48 HA ASP 48 13.825 1.172 1.506 369 1HB ASP 48 HB2 ASP 48 13.878 -1.758 2.305 370 2HB ASP 48 HB1 ASP 48 15.285 -0.703 2.156 371 H ASP 49 HN ASP 49 13.958 1.413 -0.687 372 HA ASP 49 HA ASP 49 12.749 -0.193 -2.643 373 1HB ASP 49 HB2 ASP 49 13.545 1.962 -3.213 374 2HB ASP 49 HB1 ASP 49 15.166 1.614 -2.612 375 H THR 50 HN THR 50 15.575 -0.894 -0.791 376 HA THR 50 HA THR 50 16.974 -2.611 -2.618 377 HB THR 50 HB THR 50 17.769 -3.549 -0.296 378 HG1 THR 50 HG1 THR 50 17.077 -2.445 1.417 379 1HG2 THR 50 HG21 THR 50 18.123 -0.812 -1.460 380 2HG2 THR 50 HG23 THR 50 18.871 -1.175 0.096 381 3HG2 THR 50 HG22 THR 50 19.288 -2.129 -1.328 382 H LYS 51 HN LYS 51 14.425 -3.278 -0.199 383 HA LYS 51 HA LYS 51 14.243 -6.069 -1.288 384 1HB LYS 51 HB2 LYS 51 14.584 -5.049 1.298 385 2HB LYS 51 HB1 LYS 51 12.891 -5.541 1.235 386 1HG LYS 51 HG2 LYS 51 13.481 -7.773 0.567 387 2HG LYS 51 HG1 LYS 51 15.166 -7.314 0.321 388 1HD LYS 51 HD2 LYS 51 15.335 -6.772 2.749 389 2HD LYS 51 HD1 LYS 51 13.684 -7.355 2.964 390 1HE LYS 51 HE2 LYS 51 14.337 -9.535 2.905 391 2HE LYS 51 HE1 LYS 51 15.417 -9.255 1.524 392 1HZ LYS 51 HZ2 LYS 51 15.998 -8.284 4.267 393 2HZ LYS 51 HZ1 LYS 51 16.574 -9.768 3.673 394 3HZ LYS 51 HZ3 LYS 51 17.052 -8.318 2.935 395 H ALA 52 HN ALA 52 12.731 -3.116 -1.460 396 HA ALA 52 HA ALA 52 10.184 -4.362 -2.327 397 1HB ALA 52 HB1 ALA 52 10.256 -3.684 0.198 398 2HB ALA 52 HB3 ALA 52 10.149 -2.034 -0.416 399 3HB ALA 52 HB2 ALA 52 8.865 -3.190 -0.767 400 H SER 53 HN SER 53 8.731 -2.065 -2.684 401 HA SER 53 HA SER 53 9.999 0.225 -3.738 402 1HB SER 53 HB2 SER 53 11.139 -0.789 -5.443 403 2HB SER 53 HB1 SER 53 10.135 -2.234 -5.371 404 HG SER 53 HG SER 53 9.206 -1.443 -7.077 405 H VAL 54 HN VAL 54 8.445 1.587 -4.856 406 HA VAL 54 HA VAL 54 5.795 1.526 -4.103 407 HB VAL 54 HB VAL 54 7.100 3.273 -5.422 408 1HG1 VAL 54 HG13 VAL 54 7.813 1.698 -7.220 409 2HG1 VAL 54 HG12 VAL 54 6.134 1.575 -7.744 410 3HG1 VAL 54 HG11 VAL 54 6.984 3.115 -7.863 411 1HG2 VAL 54 HG21 VAL 54 4.291 2.475 -6.227 412 2HG2 VAL 54 HG23 VAL 54 4.756 3.627 -4.976 413 3HG2 VAL 54 HG22 VAL 54 5.025 4.015 -6.675 414 H GLN 55 HN GLN 55 7.212 -0.141 -6.919 415 HA GLN 55 HA GLN 55 4.795 -1.132 -8.057 416 1HB GLN 55 HB2 GLN 55 7.238 -1.147 -8.902 417 2HB GLN 55 HB1 GLN 55 7.435 -2.607 -7.932 418 1HG GLN 55 HG2 GLN 55 6.849 -3.297 -10.172 419 2HG GLN 55 HG1 GLN 55 5.446 -3.581 -9.141 420 1HE2 GLN 55 HE22 GLN 55 5.276 -0.670 -12.019 421 2HE2 GLN 55 HE21 GLN 55 6.772 -1.350 -11.594 422 H LYS 56 HN LYS 56 7.001 -2.595 -5.656 423 HA LYS 56 HA LYS 56 5.453 -4.972 -5.233 424 1HB LYS 56 HB2 LYS 56 7.439 -3.471 -3.497 425 2HB LYS 56 HB1 LYS 56 6.900 -5.124 -3.198 426 1HG LYS 56 HG2 LYS 56 8.395 -4.120 -5.636 427 2HG LYS 56 HG1 LYS 56 9.009 -5.214 -4.397 428 1HD LYS 56 HD2 LYS 56 7.189 -6.832 -5.010 429 2HD LYS 56 HD1 LYS 56 6.755 -5.766 -6.347 430 1HE LYS 56 HE2 LYS 56 8.818 -6.134 -7.463 431 2HE LYS 56 HE1 LYS 56 9.577 -6.807 -6.006 432 1HZ LYS 56 HZ1 LYS 56 7.935 -8.603 -6.049 433 2HZ LYS 56 HZ3 LYS 56 7.288 -7.988 -7.491 434 3HZ LYS 56 HZ2 LYS 56 8.876 -8.591 -7.463 435 H LEU 57 HN LEU 57 5.118 -1.691 -3.974 436 HA LEU 57 HA LEU 57 3.501 -2.443 -1.673 437 1HB LEU 57 HB2 LEU 57 3.540 0.149 -3.252 438 2HB LEU 57 HB1 LEU 57 3.067 -0.055 -1.568 439 HG LEU 57 HG LEU 57 5.848 -0.599 -2.643 440 1HD1 LEU 57 HD12 LEU 57 4.580 1.847 -2.266 441 2HD1 LEU 57 HD11 LEU 57 5.497 1.615 -0.778 442 3HD1 LEU 57 HD13 LEU 57 6.320 1.581 -2.336 443 1HD2 LEU 57 HD21 LEU 57 4.730 -1.634 -0.390 444 2HD2 LEU 57 HD23 LEU 57 6.438 -1.207 -0.502 445 3HD2 LEU 57 HD22 LEU 57 5.295 -0.086 0.238 446 H THR 58 HN THR 58 2.740 -1.004 -4.861 447 HA THR 58 HA THR 58 -0.082 -1.178 -4.717 448 HB THR 58 HB THR 58 1.872 -1.424 -7.031 449 HG1 THR 58 HG1 THR 58 2.102 0.597 -6.569 450 1HG2 THR 58 HG23 THR 58 -1.085 -1.437 -6.914 451 2HG2 THR 58 HG22 THR 58 -0.379 -0.333 -8.094 452 3HG2 THR 58 HG21 THR 58 -0.004 -2.055 -8.162 453 H LYS 59 HN LYS 59 2.362 -3.617 -5.521 454 HA LYS 59 HA LYS 59 0.438 -5.578 -6.427 455 1HB LYS 59 HB2 LYS 59 3.257 -5.164 -6.363 456 2HB LYS 59 HB1 LYS 59 2.931 -6.716 -5.590 457 1HG LYS 59 HG2 LYS 59 1.316 -7.056 -7.655 458 2HG LYS 59 HG1 LYS 59 2.358 -5.844 -8.403 459 1HD LYS 59 HD2 LYS 59 3.806 -7.505 -8.870 460 2HD LYS 59 HD1 LYS 59 4.119 -7.621 -7.138 461 1HE LYS 59 HE2 LYS 59 2.499 -9.355 -6.854 462 2HE LYS 59 HE1 LYS 59 1.801 -9.060 -8.460 463 1HZ LYS 59 HZ1 LYS 59 4.111 -9.521 -9.338 464 2HZ LYS 59 HZ3 LYS 59 4.476 -10.150 -7.806 465 3HZ LYS 59 HZ2 LYS 59 3.257 -10.865 -8.747 466 H ALA 60 HN ALA 60 1.921 -4.718 -3.355 467 HA ALA 60 HA ALA 60 1.283 -7.129 -1.944 468 1HB ALA 60 HB1 ALA 60 2.820 -5.004 -1.454 469 2HB ALA 60 HB3 ALA 60 1.370 -4.449 -0.617 470 3HB ALA 60 HB2 ALA 60 2.146 -5.958 -0.133 471 H THR 61 HN THR 61 -0.319 -3.943 -2.150 472 HA THR 61 HA THR 61 -2.640 -4.688 -0.618 473 HB THR 61 HB THR 61 -1.880 -2.360 -1.032 474 HG1 THR 61 HG1 THR 61 -4.328 -2.708 -2.385 475 1HG2 THR 61 HG22 THR 61 -2.584 -3.025 -3.902 476 2HG2 THR 61 HG21 THR 61 -2.246 -1.398 -3.313 477 3HG2 THR 61 HG23 THR 61 -0.985 -2.629 -3.274 478 H ALA 62 HN ALA 62 -1.654 -4.854 -3.927 479 HA ALA 62 HA ALA 62 -4.190 -5.551 -5.098 480 1HB ALA 62 HB2 ALA 62 -1.311 -6.064 -5.913 481 2HB ALA 62 HB1 ALA 62 -2.698 -6.289 -6.978 482 3HB ALA 62 HB3 ALA 62 -2.295 -4.678 -6.383 483 H ASP 63 HN ASP 63 -1.689 -7.307 -3.404 484 HA ASP 63 HA ASP 63 -2.767 -9.951 -4.164 485 1HB ASP 63 HB2 ASP 63 -0.285 -9.043 -3.617 486 2HB ASP 63 HB1 ASP 63 -0.753 -9.561 -1.996 487 H ALA 64 HN ALA 64 -3.304 -7.532 -1.804 488 HA ALA 64 HA ALA 64 -4.173 -9.319 0.349 489 1HB ALA 64 HB3 ALA 64 -3.400 -6.672 0.082 490 2HB ALA 64 HB2 ALA 64 -5.147 -6.537 0.283 491 3HB ALA 64 HB1 ALA 64 -4.178 -7.350 1.512 492 H GLY 65 HN GLY 65 -5.573 -7.562 -2.365 493 1HA GLY 65 HA2 GLY 65 -7.648 -9.028 -3.118 494 2HA GLY 65 HA1 GLY 65 -8.285 -8.469 -1.577 495 H TYR 66 HN TYR 66 -6.277 -6.406 -3.655 496 HA TYR 66 HA TYR 66 -8.676 -5.022 -4.701 497 1HB TYR 66 HB2 TYR 66 -6.689 -3.670 -2.857 498 2HB TYR 66 HB1 TYR 66 -8.113 -2.930 -3.582 499 HD1 TYR 66 HD1 TYR 66 -10.391 -4.006 -3.054 500 HD2 TYR 66 HD2 TYR 66 -6.798 -4.686 -0.825 501 HE1 TYR 66 HE1 TYR 66 -11.738 -4.762 -1.130 502 HE2 TYR 66 HE2 TYR 66 -8.126 -5.436 1.104 503 HH TYR 66 HH TYR 66 -10.390 -5.209 1.997 504 HA PRO 67 HA PRO 67 -5.315 -4.708 -7.785 505 1HB PRO 67 HB2 PRO 67 -7.357 -3.486 -9.447 506 2HB PRO 67 HB1 PRO 67 -6.578 -5.057 -9.662 507 1HG PRO 67 HG2 PRO 67 -9.262 -4.541 -8.804 508 2HG PRO 67 HG1 PRO 67 -8.464 -6.108 -8.975 509 1HD PRO 67 HD2 PRO 67 -9.212 -4.780 -6.533 510 2HD PRO 67 HD1 PRO 67 -8.347 -6.329 -6.706 511 H SER 68 HN SER 68 -4.229 -2.982 -6.694 512 HA SER 68 HA SER 68 -5.590 -0.325 -6.676 513 1HB SER 68 HB2 SER 68 -4.929 -0.761 -4.526 514 2HB SER 68 HB1 SER 68 -3.610 -1.811 -5.033 515 HG SER 68 HG SER 68 -2.925 0.224 -4.142 516 H SER 69 HN SER 69 -3.762 1.477 -6.632 517 HA SER 69 HA SER 69 -1.769 1.051 -8.806 518 1HB SER 69 HB2 SER 69 -2.547 3.358 -9.599 519 2HB SER 69 HB1 SER 69 -3.694 2.048 -9.864 520 HG SER 69 HG SER 69 -4.969 3.375 -8.812 521 H VAL 70 HN VAL 70 -0.830 3.708 -8.746 522 HA VAL 70 HA VAL 70 -0.234 4.190 -5.887 523 HB VAL 70 HB VAL 70 1.278 2.568 -7.118 524 1HG1 VAL 70 HG12 VAL 70 1.383 3.816 -9.241 525 2HG1 VAL 70 HG11 VAL 70 2.176 5.160 -8.419 526 3HG1 VAL 70 HG13 VAL 70 2.999 3.607 -8.566 527 1HG2 VAL 70 HG21 VAL 70 1.811 4.624 -5.236 528 2HG2 VAL 70 HG23 VAL 70 2.720 3.131 -5.466 529 3HG2 VAL 70 HG22 VAL 70 3.186 4.592 -6.337 530 H LYS 71 HN LYS 71 0.689 6.258 -5.458 531 HA LYS 71 HA LYS 71 0.449 8.229 -7.707 532 1HB LYS 71 HB2 LYS 71 -0.162 9.517 -5.242 533 2HB LYS 71 HB1 LYS 71 -1.265 9.201 -6.577 534 1HG LYS 71 HG2 LYS 71 -1.916 7.080 -5.641 535 2HG LYS 71 HG1 LYS 71 -0.642 7.165 -4.423 536 1HD LYS 71 HD2 LYS 71 -2.512 7.866 -3.217 537 2HD LYS 71 HD1 LYS 71 -1.812 9.400 -3.735 538 1HE LYS 71 HE2 LYS 71 -3.539 9.848 -5.188 539 2HE LYS 71 HE1 LYS 71 -3.739 8.141 -5.628 540 1HZ LYS 71 HZ3 LYS 71 -4.349 8.064 -3.039 541 2HZ LYS 71 HZ2 LYS 71 -4.897 9.628 -3.412 542 3HZ LYS 71 HZ1 LYS 71 -5.510 8.286 -4.256 543 H GLN 72 HN GLN 72 2.692 6.811 -6.658 544 HA GLN 72 HA GLN 72 4.293 8.216 -4.789 545 1HB GLN 72 HB2 GLN 72 6.126 7.007 -5.850 546 2HB GLN 72 HB1 GLN 72 4.701 5.968 -5.830 547 1HG GLN 72 HG2 GLN 72 4.683 5.849 -8.078 548 2HG GLN 72 HG1 GLN 72 4.714 7.607 -8.216 549 1HE2 GLN 72 HE22 GLN 72 8.041 7.570 -9.329 550 2HE2 GLN 72 HE21 GLN 72 6.512 8.306 -9.361 No H/Q in entry = 550 Start of MODEL 10 1 1H ALA 1 HT1 ALA 1 -17.642 0.574 -1.212 2 2H ALA 1 HT3 ALA 1 -16.787 0.524 0.251 3 3H ALA 1 HT2 ALA 1 -18.427 0.968 0.242 4 HA ALA 1 HA ALA 1 -17.970 3.026 -0.832 5 1HB ALA 1 HB3 ALA 1 -17.144 2.247 1.678 6 2HB ALA 1 HB2 ALA 1 -15.686 2.993 1.023 7 3HB ALA 1 HB1 ALA 1 -17.187 3.916 1.110 8 H THR 2 HN THR 2 -15.516 4.364 -0.744 9 HA THR 2 HA THR 2 -13.593 2.964 -2.440 10 HB THR 2 HB THR 2 -14.019 5.341 -3.766 11 HG1 THR 2 HG1 THR 2 -16.549 4.206 -3.251 12 1HG2 THR 2 HG22 THR 2 -14.521 2.494 -4.198 13 2HG2 THR 2 HG21 THR 2 -15.575 3.534 -5.156 14 3HG2 THR 2 HG23 THR 2 -13.824 3.689 -5.293 15 H GLN 3 HN GLN 3 -12.190 3.399 -0.644 16 HA GLN 3 HA GLN 3 -11.762 6.301 -0.015 17 1HB GLN 3 HB2 GLN 3 -11.869 3.794 1.497 18 2HB GLN 3 HB1 GLN 3 -10.481 4.798 1.922 19 1HG GLN 3 HG2 GLN 3 -12.705 6.543 1.660 20 2HG GLN 3 HG1 GLN 3 -13.242 5.174 2.632 21 1HE2 GLN 3 HE22 GLN 3 -11.743 7.450 5.091 22 2HE2 GLN 3 HE21 GLN 3 -13.158 7.340 4.160 23 H THR 4 HN THR 4 -9.447 6.748 0.753 24 HA THR 4 HA THR 4 -7.391 5.229 -0.780 25 HB THR 4 HB THR 4 -7.427 8.226 -0.870 26 HG1 THR 4 HG1 THR 4 -8.658 7.742 -2.943 27 1HG2 THR 4 HG21 THR 4 -6.371 5.940 -2.490 28 2HG2 THR 4 HG23 THR 4 -6.675 7.481 -3.292 29 3HG2 THR 4 HG22 THR 4 -5.544 7.397 -1.941 30 H VAL 5 HN VAL 5 -5.629 4.935 0.516 31 HA VAL 5 HA VAL 5 -5.067 6.917 2.708 32 HB VAL 5 HB VAL 5 -4.315 4.173 3.337 33 1HG1 VAL 5 HG13 VAL 5 -5.824 6.443 4.569 34 2HG1 VAL 5 HG12 VAL 5 -5.954 4.842 5.296 35 3HG1 VAL 5 HG11 VAL 5 -4.377 5.617 5.145 36 1HG2 VAL 5 HG21 VAL 5 -7.151 4.708 2.493 37 2HG2 VAL 5 HG23 VAL 5 -6.172 3.257 2.274 38 3HG2 VAL 5 HG22 VAL 5 -6.847 3.634 3.858 39 H THR 6 HN THR 6 -2.800 6.843 3.384 40 HA THR 6 HA THR 6 -0.993 6.020 1.165 41 HB THR 6 HB THR 6 0.463 7.650 2.724 42 HG1 THR 6 HG1 THR 6 -1.372 9.274 3.279 43 1HG2 THR 6 HG21 THR 6 -1.686 8.408 0.746 44 2HG2 THR 6 HG23 THR 6 -0.529 9.576 1.380 45 3HG2 THR 6 HG22 THR 6 0.038 8.195 0.441 46 H LEU 7 HN LEU 7 1.033 4.941 1.914 47 HA LEU 7 HA LEU 7 0.711 3.713 4.620 48 1HB LEU 7 HB2 LEU 7 0.747 2.599 1.909 49 2HB LEU 7 HB1 LEU 7 1.915 1.818 2.973 50 HG LEU 7 HG LEU 7 0.256 1.124 4.483 51 1HD1 LEU 7 HD11 LEU 7 -1.481 3.215 3.209 52 2HD1 LEU 7 HD13 LEU 7 -2.144 1.942 4.232 53 3HD1 LEU 7 HD12 LEU 7 -0.980 3.081 4.890 54 1HD2 LEU 7 HD23 LEU 7 0.102 -0.084 2.302 55 2HD2 LEU 7 HD22 LEU 7 -1.452 -0.017 3.135 56 3HD2 LEU 7 HD21 LEU 7 -1.129 1.068 1.784 57 H ALA 8 HN ALA 8 2.694 2.987 5.569 58 HA ALA 8 HA ALA 8 5.092 4.507 4.599 59 1HB ALA 8 HB1 ALA 8 3.931 3.734 7.249 60 2HB ALA 8 HB3 ALA 8 5.679 3.935 7.138 61 3HB ALA 8 HB2 ALA 8 4.609 5.279 6.737 62 H VAL 9 HN VAL 9 6.287 3.050 3.380 63 HA VAL 9 HA VAL 9 6.741 0.320 4.533 64 HB VAL 9 HB VAL 9 5.630 0.121 2.447 65 1HG1 VAL 9 HG12 VAL 9 7.204 2.564 1.789 66 2HG1 VAL 9 HG11 VAL 9 6.830 1.476 0.452 67 3HG1 VAL 9 HG13 VAL 9 5.526 2.171 1.414 68 1HG2 VAL 9 HG23 VAL 9 8.266 -0.730 2.689 69 2HG2 VAL 9 HG22 VAL 9 7.122 -1.264 1.457 70 3HG2 VAL 9 HG21 VAL 9 8.235 0.060 1.113 71 HA PRO 10 HA PRO 10 10.828 2.374 4.794 72 1HB PRO 10 HB2 PRO 10 11.455 0.887 7.092 73 2HB PRO 10 HB1 PRO 10 10.785 2.522 7.064 74 1HG PRO 10 HG2 PRO 10 9.494 0.053 7.884 75 2HG PRO 10 HG1 PRO 10 8.901 1.710 8.031 76 1HD PRO 10 HD2 PRO 10 8.075 -0.325 6.134 77 2HD PRO 10 HD1 PRO 10 7.429 1.323 6.330 78 H GLY 11 HN GLY 11 10.321 0.115 3.015 79 1HA GLY 11 HA2 GLY 11 12.312 -1.931 3.778 80 2HA GLY 11 HA1 GLY 11 11.275 -1.979 2.350 81 H MET 12 HN MET 12 11.759 0.395 1.131 82 HA MET 12 HA MET 12 13.273 1.162 -0.540 83 1HB MET 12 HB2 MET 12 15.098 2.397 0.606 84 2HB MET 12 HB1 MET 12 13.560 2.602 1.435 85 1HG MET 12 HG2 MET 12 14.161 1.082 3.162 86 2HG MET 12 HG1 MET 12 15.527 0.459 2.239 87 1HE MET 12 HE2 MET 12 17.484 0.983 2.193 88 2HE MET 12 HE1 MET 12 18.366 2.410 2.732 89 3HE MET 12 HE3 MET 12 17.845 1.192 3.905 90 H THR 13 HN THR 13 13.499 -1.394 -0.964 91 HA THR 13 HA THR 13 16.051 -2.589 -0.292 92 HB THR 13 HB THR 13 13.833 -3.681 -0.980 93 HG1 THR 13 HG1 THR 13 16.201 -4.514 -1.146 94 1HG2 THR 13 HG21 THR 13 14.104 -2.053 -3.151 95 2HG2 THR 13 HG23 THR 13 14.632 -3.606 -3.795 96 3HG2 THR 13 HG22 THR 13 13.035 -3.446 -3.060 97 H CYS 14 HN CYS 14 15.290 0.018 -2.240 98 HA CYS 14 HA CYS 14 16.717 1.309 -3.620 99 1HB CYS 14 HB2 CYS 14 18.367 -0.429 -2.314 100 2HB CYS 14 HB1 CYS 14 18.663 -0.875 -3.994 101 HG CYS 14 HG CYS 14 19.025 1.866 -4.310 102 H ALA 15 HN ALA 15 15.112 -1.441 -4.397 103 HA ALA 15 HA ALA 15 14.994 -0.846 -7.212 104 1HB ALA 15 HB1 ALA 15 17.134 -2.511 -6.203 105 2HB ALA 15 HB3 ALA 15 16.103 -3.449 -7.284 106 3HB ALA 15 HB2 ALA 15 16.854 -1.958 -7.854 107 H ALA 16 HN ALA 16 13.211 -1.476 -4.913 108 HA ALA 16 HA ALA 16 11.328 -3.165 -6.266 109 1HB ALA 16 HB1 ALA 16 13.494 -4.489 -5.016 110 2HB ALA 16 HB3 ALA 16 12.071 -4.814 -4.027 111 3HB ALA 16 HB2 ALA 16 12.064 -5.222 -5.743 112 H CYS 17 HN CYS 17 12.377 -1.602 -3.269 113 HA CYS 17 HA CYS 17 10.331 -2.194 -1.491 114 1HB CYS 17 HB2 CYS 17 11.812 -0.718 -0.592 115 2HB CYS 17 HB1 CYS 17 12.096 0.094 -2.122 116 HG CYS 17 HG CYS 17 9.509 0.699 -0.462 117 HA PRO 18 HA PRO 18 7.354 0.912 -3.608 118 1HB PRO 18 HB2 PRO 18 8.190 1.908 -6.059 119 2HB PRO 18 HB1 PRO 18 8.440 2.701 -4.500 120 1HG PRO 18 HG2 PRO 18 10.405 1.397 -6.243 121 2HG PRO 18 HG1 PRO 18 10.672 2.497 -4.887 122 1HD PRO 18 HD2 PRO 18 11.013 -0.365 -4.919 123 2HD PRO 18 HD1 PRO 18 11.232 0.746 -3.546 124 H ILE 19 HN ILE 19 8.875 -1.608 -5.473 125 HA ILE 19 HA ILE 19 6.695 -1.686 -7.481 126 HB ILE 19 HB ILE 19 9.299 -3.135 -6.990 127 1HG1 ILE 19 HG12 ILE 19 8.521 -1.875 -9.578 128 2HG1 ILE 19 HG11 ILE 19 8.817 -0.789 -8.220 129 1HG2 ILE 19 HG22 ILE 19 6.949 -4.077 -8.471 130 2HG2 ILE 19 HG21 ILE 19 8.399 -3.985 -9.470 131 3HG2 ILE 19 HG23 ILE 19 8.404 -4.956 -7.998 132 1HD1 ILE 19 HD11 ILE 19 10.968 -2.300 -7.898 133 2HD1 ILE 19 HD13 ILE 19 10.713 -2.648 -9.608 134 3HD1 ILE 19 HD12 ILE 19 10.968 -0.986 -9.074 135 H THR 20 HN THR 20 7.925 -3.578 -4.778 136 HA THR 20 HA THR 20 6.112 -5.797 -5.082 137 HB THR 20 HB THR 20 8.142 -4.706 -3.196 138 HG1 THR 20 HG1 THR 20 7.765 -7.382 -3.949 139 1HG2 THR 20 HG22 THR 20 6.165 -6.854 -2.414 140 2HG2 THR 20 HG21 THR 20 7.630 -6.447 -1.520 141 3HG2 THR 20 HG23 THR 20 6.331 -5.264 -1.667 142 H VAL 21 HN VAL 21 6.139 -2.775 -3.208 143 HA VAL 21 HA VAL 21 3.820 -3.379 -1.636 144 HB VAL 21 HB VAL 21 4.958 -0.720 -2.563 145 1HG1 VAL 21 HG11 VAL 21 3.004 -1.560 -0.447 146 2HG1 VAL 21 HG13 VAL 21 4.041 -0.166 -0.149 147 3HG1 VAL 21 HG12 VAL 21 2.946 -0.171 -1.532 148 1HG2 VAL 21 HG22 VAL 21 6.568 -2.375 -1.440 149 2HG2 VAL 21 HG21 VAL 21 6.418 -0.794 -0.676 150 3HG2 VAL 21 HG23 VAL 21 5.582 -2.187 0.009 151 H LYS 22 HN LYS 22 4.354 -1.647 -4.685 152 HA LYS 22 HA LYS 22 1.744 -0.751 -5.238 153 1HB LYS 22 HB2 LYS 22 3.926 -0.373 -6.489 154 2HB LYS 22 HB1 LYS 22 3.689 -1.960 -7.224 155 1HG LYS 22 HG2 LYS 22 2.320 -1.041 -8.749 156 2HG LYS 22 HG1 LYS 22 1.234 -0.533 -7.456 157 1HD LYS 22 HD2 LYS 22 2.670 1.495 -7.120 158 2HD LYS 22 HD1 LYS 22 3.610 1.010 -8.532 159 1HE LYS 22 HE2 LYS 22 0.624 1.212 -8.799 160 2HE LYS 22 HE1 LYS 22 1.595 2.697 -8.831 161 1HZ LYS 22 HZ2 LYS 22 2.954 0.792 -10.340 162 2HZ LYS 22 HZ1 LYS 22 1.333 0.735 -10.845 163 3HZ LYS 22 HZ3 LYS 22 2.185 2.199 -10.901 164 H LYS 23 HN LYS 23 3.190 -3.934 -6.064 165 HA LYS 23 HA LYS 23 0.687 -4.943 -7.158 166 1HB LYS 23 HB2 LYS 23 3.224 -6.352 -6.280 167 2HB LYS 23 HB1 LYS 23 1.994 -7.017 -7.355 168 1HG LYS 23 HG2 LYS 23 2.758 -4.453 -8.366 169 2HG LYS 23 HG1 LYS 23 4.227 -5.373 -8.041 170 1HD LYS 23 HD2 LYS 23 3.695 -7.030 -9.571 171 2HD LYS 23 HD1 LYS 23 1.959 -6.759 -9.420 172 1HE LYS 23 HE2 LYS 23 3.674 -4.573 -10.576 173 2HE LYS 23 HE1 LYS 23 3.197 -5.943 -11.600 174 1HZ LYS 23 HZ3 LYS 23 1.135 -4.801 -9.885 175 2HZ LYS 23 HZ2 LYS 23 1.620 -3.853 -11.209 176 3HZ LYS 23 HZ1 LYS 23 1.013 -5.419 -11.459 177 H ALA 24 HN ALA 24 1.967 -4.691 -3.981 178 HA ALA 24 HA ALA 24 0.660 -6.978 -2.820 179 1HB ALA 24 HB1 ALA 24 2.277 -4.660 -2.036 180 2HB ALA 24 HB3 ALA 24 1.097 -5.128 -0.813 181 3HB ALA 24 HB2 ALA 24 2.285 -6.299 -1.384 182 H LEU 25 HN LEU 25 0.018 -3.488 -2.502 183 HA LEU 25 HA LEU 25 -2.592 -3.836 -1.323 184 1HB LEU 25 HB2 LEU 25 -1.269 -1.502 -2.736 185 2HB LEU 25 HB1 LEU 25 -2.632 -1.392 -1.617 186 HG LEU 25 HG LEU 25 -0.846 -2.823 -0.129 187 1HD1 LEU 25 HD11 LEU 25 0.642 -1.356 -2.202 188 2HD1 LEU 25 HD13 LEU 25 1.194 -1.060 -0.554 189 3HD1 LEU 25 HD12 LEU 25 1.153 -2.706 -1.189 190 1HD2 LEU 25 HD22 LEU 25 -1.910 -0.149 -0.259 191 2HD2 LEU 25 HD21 LEU 25 -1.440 -1.081 1.163 192 3HD2 LEU 25 HD23 LEU 25 -0.245 -0.096 0.321 193 H SER 26 HN SER 26 -1.400 -3.479 -4.612 194 HA SER 26 HA SER 26 -3.970 -2.834 -5.815 195 1HB SER 26 HB2 SER 26 -2.727 -3.087 -7.863 196 2HB SER 26 HB1 SER 26 -1.600 -2.409 -6.691 197 HG SER 26 HG SER 26 -1.728 -4.961 -7.815 198 H LYS 27 HN LYS 27 -2.295 -5.792 -4.892 199 HA LYS 27 HA LYS 27 -4.459 -7.334 -6.236 200 1HB LYS 27 HB2 LYS 27 -2.770 -8.637 -6.973 201 2HB LYS 27 HB1 LYS 27 -1.633 -7.552 -6.191 202 1HG LYS 27 HG2 LYS 27 -2.985 -9.898 -4.820 203 2HG LYS 27 HG1 LYS 27 -1.353 -9.931 -5.483 204 1HD LYS 27 HD2 LYS 27 -1.315 -7.650 -3.927 205 2HD LYS 27 HD1 LYS 27 -2.323 -8.744 -2.980 206 1HE LYS 27 HE2 LYS 27 0.382 -9.528 -4.119 207 2HE LYS 27 HE1 LYS 27 0.132 -8.966 -2.455 208 1HZ LYS 27 HZ2 LYS 27 -1.829 -10.741 -2.664 209 2HZ LYS 27 HZ1 LYS 27 -0.699 -11.459 -3.710 210 3HZ LYS 27 HZ3 LYS 27 -0.279 -11.146 -2.096 211 H VAL 28 HN VAL 28 -3.812 -6.050 -3.291 212 HA VAL 28 HA VAL 28 -3.974 -8.062 -1.362 213 HB VAL 28 HB VAL 28 -3.725 -5.736 -0.783 214 1HG1 VAL 28 HG12 VAL 28 -5.466 -5.202 -2.779 215 2HG1 VAL 28 HG11 VAL 28 -6.538 -5.017 -1.394 216 3HG1 VAL 28 HG13 VAL 28 -5.075 -4.041 -1.511 217 1HG2 VAL 28 HG22 VAL 28 -5.709 -7.430 0.382 218 2HG2 VAL 28 HG21 VAL 28 -4.751 -6.177 1.170 219 3HG2 VAL 28 HG23 VAL 28 -6.307 -5.771 0.445 220 H GLU 29 HN GLU 29 -6.845 -6.455 -2.880 221 HA GLU 29 HA GLU 29 -8.296 -8.874 -3.260 222 1HB GLU 29 HB2 GLU 29 -8.160 -7.814 -0.537 223 2HB GLU 29 HB1 GLU 29 -9.820 -8.037 -1.092 224 1HG GLU 29 HG2 GLU 29 -8.361 -10.305 -1.968 225 2HG GLU 29 HG1 GLU 29 -7.915 -10.038 -0.283 226 H GLY 30 HN GLY 30 -9.399 -5.835 -1.691 227 1HA GLY 30 HA2 GLY 30 -11.307 -5.510 -3.945 228 2HA GLY 30 HA1 GLY 30 -11.427 -4.704 -2.384 229 H VAL 31 HN VAL 31 -8.293 -4.297 -2.980 230 HA VAL 31 HA VAL 31 -8.238 -1.568 -3.458 231 HB VAL 31 HB VAL 31 -6.284 -3.029 -3.008 232 1HG1 VAL 31 HG12 VAL 31 -7.237 -4.630 -4.938 233 2HG1 VAL 31 HG11 VAL 31 -6.100 -3.698 -5.911 234 3HG1 VAL 31 HG13 VAL 31 -5.527 -4.607 -4.515 235 1HG2 VAL 31 HG21 VAL 31 -6.043 -0.725 -4.021 236 2HG2 VAL 31 HG23 VAL 31 -4.711 -1.814 -4.409 237 3HG2 VAL 31 HG22 VAL 31 -5.963 -1.493 -5.607 238 H SER 32 HN SER 32 -8.357 -0.232 -5.154 239 HA SER 32 HA SER 32 -9.199 -1.383 -7.789 240 1HB SER 32 HB2 SER 32 -10.182 0.799 -6.044 241 2HB SER 32 HB1 SER 32 -10.121 1.190 -7.761 242 HG SER 32 HG SER 32 -11.292 -0.795 -8.105 243 H LYS 33 HN LYS 33 -6.940 0.514 -6.071 244 HA LYS 33 HA LYS 33 -5.368 0.998 -8.508 245 1HB LYS 33 HB2 LYS 33 -6.625 2.902 -8.851 246 2HB LYS 33 HB1 LYS 33 -7.075 3.036 -7.160 247 1HG LYS 33 HG2 LYS 33 -5.650 4.832 -7.265 248 2HG LYS 33 HG1 LYS 33 -4.434 3.605 -6.946 249 1HD LYS 33 HD2 LYS 33 -3.461 4.059 -8.922 250 2HD LYS 33 HD1 LYS 33 -4.951 3.614 -9.754 251 1HE LYS 33 HE2 LYS 33 -5.822 5.936 -9.323 252 2HE LYS 33 HE1 LYS 33 -4.225 6.360 -8.678 253 1HZ LYS 33 HZ1 LYS 33 -4.689 5.161 -11.355 254 2HZ LYS 33 HZ3 LYS 33 -4.442 6.817 -11.084 255 3HZ LYS 33 HZ2 LYS 33 -3.206 5.707 -10.730 256 H VAL 34 HN VAL 34 -3.200 1.907 -7.902 257 HA VAL 34 HA VAL 34 -2.553 2.051 -5.026 258 HB VAL 34 HB VAL 34 -1.763 -0.208 -6.869 259 1HG1 VAL 34 HG11 VAL 34 -0.465 0.583 -4.243 260 2HG1 VAL 34 HG13 VAL 34 -0.130 -0.894 -5.144 261 3HG1 VAL 34 HG12 VAL 34 0.295 0.673 -5.832 262 1HG2 VAL 34 HG22 VAL 34 -3.298 0.147 -4.345 263 2HG2 VAL 34 HG21 VAL 34 -3.559 -0.990 -5.666 264 3HG2 VAL 34 HG23 VAL 34 -2.307 -1.305 -4.465 265 H ASP 35 HN ASP 35 -0.248 2.696 -4.704 266 HA ASP 35 HA ASP 35 1.357 3.398 -7.057 267 1HB ASP 35 HB2 ASP 35 -0.526 5.259 -5.772 268 2HB ASP 35 HB1 ASP 35 1.109 5.904 -5.924 269 H VAL 36 HN VAL 36 3.406 4.546 -6.338 270 HA VAL 36 HA VAL 36 4.002 4.188 -3.433 271 HB VAL 36 HB VAL 36 6.151 3.063 -4.202 272 1HG1 VAL 36 HG13 VAL 36 3.678 2.018 -3.657 273 2HG1 VAL 36 HG12 VAL 36 4.011 1.317 -5.241 274 3HG1 VAL 36 HG11 VAL 36 5.132 1.051 -3.907 275 1HG2 VAL 36 HG22 VAL 36 4.601 2.988 -6.811 276 2HG2 VAL 36 HG21 VAL 36 6.116 3.845 -6.528 277 3HG2 VAL 36 HG23 VAL 36 6.080 2.082 -6.490 278 H GLY 37 HN GLY 37 5.897 5.419 -2.750 279 1HA GLY 37 HA2 GLY 37 7.046 7.312 -4.712 280 2HA GLY 37 HA1 GLY 37 6.178 8.011 -3.344 281 H PHE 38 HN PHE 38 9.164 6.715 -4.388 282 HA PHE 38 HA PHE 38 10.269 5.797 -1.911 283 1HB PHE 38 HB2 PHE 38 11.041 6.272 -4.622 284 2HB PHE 38 HB1 PHE 38 12.245 7.033 -3.579 285 HD1 PHE 38 HD2 PHE 38 12.049 5.245 -1.184 286 HD2 PHE 38 HD1 PHE 38 12.182 4.323 -5.378 287 HE1 PHE 38 HE2 PHE 38 13.006 3.018 -0.662 288 HE2 PHE 38 HE1 PHE 38 13.139 2.095 -4.855 289 HZ PHE 38 HZ PHE 38 13.560 1.445 -2.502 290 H GLU 39 HN GLU 39 9.681 9.009 -3.165 291 HA GLU 39 HA GLU 39 11.523 10.635 -1.854 292 1HB GLU 39 HB2 GLU 39 9.607 12.264 -1.761 293 2HB GLU 39 HB1 GLU 39 9.755 11.458 -3.324 294 1HG GLU 39 HG2 GLU 39 8.076 9.745 -2.449 295 2HG GLU 39 HG1 GLU 39 7.789 10.853 -1.106 296 H LYS 40 HN LYS 40 8.689 9.000 -0.464 297 HA LYS 40 HA LYS 40 9.764 9.618 2.256 298 1HB LYS 40 HB2 LYS 40 7.778 11.038 1.318 299 2HB LYS 40 HB1 LYS 40 6.823 9.587 1.626 300 1HG LYS 40 HG2 LYS 40 6.698 10.137 3.802 301 2HG LYS 40 HG1 LYS 40 8.455 10.046 3.919 302 1HD LYS 40 HD2 LYS 40 8.674 12.297 3.929 303 2HD LYS 40 HD1 LYS 40 7.537 12.491 2.594 304 1HE LYS 40 HE2 LYS 40 6.192 13.420 4.207 305 2HE LYS 40 HE1 LYS 40 5.853 11.729 4.630 306 1HZ LYS 40 HZ1 LYS 40 8.190 13.221 5.684 307 2HZ LYS 40 HZ3 LYS 40 6.707 13.143 6.505 308 3HZ LYS 40 HZ2 LYS 40 7.590 11.722 6.211 309 H ARG 41 HN ARG 41 9.839 7.178 0.512 310 HA ARG 41 HA ARG 41 9.271 4.866 0.622 311 1HB ARG 41 HB2 ARG 41 9.518 5.581 3.558 312 2HB ARG 41 HB1 ARG 41 9.865 4.018 2.818 313 1HG ARG 41 HG2 ARG 41 11.307 6.270 1.602 314 2HG ARG 41 HG1 ARG 41 11.730 5.963 3.287 315 1HD ARG 41 HD2 ARG 41 11.539 3.437 1.962 316 2HD ARG 41 HD1 ARG 41 12.569 4.493 0.978 317 HE ARG 41 HE ARG 41 13.300 3.347 3.491 318 1HH1 ARG 41 HH21 ARG 41 13.340 6.405 1.863 319 2HH1 ARG 41 HH22 ARG 41 14.482 7.103 2.957 320 1HH2 ARG 41 HH11 ARG 41 14.799 4.250 4.891 321 2HH2 ARG 41 HH12 ARG 41 15.315 5.887 4.656 322 H GLU 42 HN GLU 42 6.891 5.935 0.118 323 HA GLU 42 HA GLU 42 5.107 4.593 2.092 324 1HB GLU 42 HB2 GLU 42 3.722 6.563 2.258 325 2HB GLU 42 HB1 GLU 42 5.386 7.079 2.533 326 1HG GLU 42 HG2 GLU 42 5.583 7.881 0.261 327 2HG GLU 42 HG1 GLU 42 4.016 7.193 -0.167 328 H ALA 43 HN ALA 43 3.203 3.719 1.146 329 HA ALA 43 HA ALA 43 3.073 3.974 -1.846 330 1HB ALA 43 HB1 ALA 43 3.085 1.733 0.033 331 2HB ALA 43 HB3 ALA 43 1.693 1.669 -1.048 332 3HB ALA 43 HB2 ALA 43 3.325 1.718 -1.714 333 H VAL 44 HN VAL 44 1.179 4.862 -2.626 334 HA VAL 44 HA VAL 44 -1.027 5.313 -0.654 335 HB VAL 44 HB VAL 44 0.175 7.204 -1.872 336 1HG1 VAL 44 HG11 VAL 44 0.121 5.707 -4.044 337 2HG1 VAL 44 HG13 VAL 44 -1.464 6.447 -4.269 338 3HG1 VAL 44 HG12 VAL 44 -0.023 7.459 -4.181 339 1HG2 VAL 44 HG23 VAL 44 -2.568 6.814 -1.311 340 2HG2 VAL 44 HG22 VAL 44 -1.730 8.354 -1.503 341 3HG2 VAL 44 HG21 VAL 44 -2.503 7.593 -2.893 342 H VAL 45 HN VAL 45 -2.857 4.123 -0.919 343 HA VAL 45 HA VAL 45 -3.346 2.959 -3.640 344 HB VAL 45 HB VAL 45 -3.355 1.713 -0.895 345 1HG1 VAL 45 HG11 VAL 45 -4.947 1.013 -3.286 346 2HG1 VAL 45 HG13 VAL 45 -4.028 -0.323 -2.594 347 3HG1 VAL 45 HG12 VAL 45 -5.189 0.557 -1.600 348 1HG2 VAL 45 HG21 VAL 45 -1.594 1.774 -3.180 349 2HG2 VAL 45 HG23 VAL 45 -1.331 1.026 -1.605 350 3HG2 VAL 45 HG22 VAL 45 -2.132 0.122 -2.888 351 H THR 46 HN THR 46 -5.425 2.804 -4.301 352 HA THR 46 HA THR 46 -7.559 4.051 -2.607 353 HB THR 46 HB THR 46 -6.907 3.855 -5.543 354 HG1 THR 46 HG1 THR 46 -6.593 5.885 -5.204 355 1HG2 THR 46 HG21 THR 46 -9.635 4.076 -4.308 356 2HG2 THR 46 HG23 THR 46 -9.289 4.910 -5.824 357 3HG2 THR 46 HG22 THR 46 -9.126 3.156 -5.724 358 H PHE 47 HN PHE 47 -9.676 2.871 -2.704 359 HA PHE 47 HA PHE 47 -9.791 0.280 -4.010 360 1HB PHE 47 HB2 PHE 47 -9.655 -1.048 -1.923 361 2HB PHE 47 HB1 PHE 47 -8.156 -0.166 -2.221 362 HD1 PHE 47 HD2 PHE 47 -11.294 -0.209 -0.192 363 HD2 PHE 47 HD1 PHE 47 -7.452 1.631 -0.820 364 HE1 PHE 47 HE2 PHE 47 -11.501 0.961 1.970 365 HE2 PHE 47 HE1 PHE 47 -7.670 2.805 1.347 366 HZ PHE 47 HZ PHE 47 -9.678 2.470 2.744 367 H ASP 48 HN ASP 48 -11.537 -1.076 -2.698 368 HA ASP 48 HA ASP 48 -13.841 0.781 -2.283 369 1HB ASP 48 HB2 ASP 48 -13.779 -2.194 -2.909 370 2HB ASP 48 HB1 ASP 48 -15.191 -1.138 -2.972 371 H ASP 49 HN ASP 49 -14.607 0.870 -0.179 372 HA ASP 49 HA ASP 49 -13.215 -0.702 1.847 373 1HB ASP 49 HB2 ASP 49 -13.796 1.633 2.185 374 2HB ASP 49 HB1 ASP 49 -15.504 1.276 1.936 375 H THR 50 HN THR 50 -14.851 -2.310 0.022 376 HA THR 50 HA THR 50 -16.894 -3.386 1.928 377 HB THR 50 HB THR 50 -17.828 -4.300 -0.325 378 HG1 THR 50 HG1 THR 50 -16.226 -3.895 -1.723 379 1HG2 THR 50 HG22 THR 50 -17.833 -1.464 0.644 380 2HG2 THR 50 HG21 THR 50 -18.659 -1.853 -0.865 381 3HG2 THR 50 HG23 THR 50 -19.144 -2.643 0.635 382 H LYS 51 HN LYS 51 -13.999 -3.974 0.147 383 HA LYS 51 HA LYS 51 -14.065 -6.852 0.969 384 1HB LYS 51 HB2 LYS 51 -13.114 -5.610 -1.633 385 2HB LYS 51 HB1 LYS 51 -12.923 -7.311 -1.208 386 1HG LYS 51 HG2 LYS 51 -15.433 -7.427 -0.918 387 2HG LYS 51 HG1 LYS 51 -15.519 -5.805 -1.606 388 1HD LYS 51 HD2 LYS 51 -15.416 -6.675 -3.675 389 2HD LYS 51 HD1 LYS 51 -13.842 -7.375 -3.296 390 1HE LYS 51 HE2 LYS 51 -14.722 -9.462 -2.888 391 2HE LYS 51 HE1 LYS 51 -16.221 -8.804 -2.203 392 1HZ LYS 51 HZ1 LYS 51 -16.853 -8.064 -4.429 393 2HZ LYS 51 HZ3 LYS 51 -15.448 -8.763 -5.073 394 3HZ LYS 51 HZ2 LYS 51 -16.645 -9.750 -4.380 395 H ALA 52 HN ALA 52 -12.570 -3.916 1.374 396 HA ALA 52 HA ALA 52 -10.270 -4.992 2.711 397 1HB ALA 52 HB2 ALA 52 -10.011 -4.100 -0.166 398 2HB ALA 52 HB1 ALA 52 -8.625 -4.113 0.925 399 3HB ALA 52 HB3 ALA 52 -9.471 -5.616 0.556 400 H SER 53 HN SER 53 -8.526 -3.061 2.866 401 HA SER 53 HA SER 53 -9.276 -0.355 2.496 402 1HB SER 53 HB2 SER 53 -10.015 0.037 4.938 403 2HB SER 53 HB1 SER 53 -11.181 -0.742 3.873 404 HG SER 53 HG SER 53 -11.103 -2.392 5.156 405 H VAL 54 HN VAL 54 -8.126 1.014 4.465 406 HA VAL 54 HA VAL 54 -5.402 0.819 4.312 407 HB VAL 54 HB VAL 54 -6.412 2.595 5.549 408 1HG1 VAL 54 HG13 VAL 54 -8.397 1.261 6.270 409 2HG1 VAL 54 HG12 VAL 54 -7.393 0.484 7.493 410 3HG1 VAL 54 HG11 VAL 54 -7.712 2.216 7.584 411 1HG2 VAL 54 HG23 VAL 54 -4.208 1.349 6.461 412 2HG2 VAL 54 HG22 VAL 54 -4.900 2.744 7.288 413 3HG2 VAL 54 HG21 VAL 54 -5.246 1.117 7.866 414 H GLN 55 HN GLN 55 -7.432 -1.113 6.526 415 HA GLN 55 HA GLN 55 -5.372 -2.380 7.995 416 1HB GLN 55 HB2 GLN 55 -7.845 -2.469 8.392 417 2HB GLN 55 HB1 GLN 55 -7.993 -3.550 7.005 418 1HG GLN 55 HG2 GLN 55 -7.079 -5.328 8.121 419 2HG GLN 55 HG1 GLN 55 -5.970 -4.311 9.041 420 1HE2 GLN 55 HE22 GLN 55 -9.832 -4.627 10.446 421 2HE2 GLN 55 HE21 GLN 55 -9.560 -4.668 8.770 422 H LYS 56 HN LYS 56 -6.962 -3.493 4.981 423 HA LYS 56 HA LYS 56 -5.086 -5.703 4.656 424 1HB LYS 56 HB2 LYS 56 -7.199 -4.458 2.872 425 2HB LYS 56 HB1 LYS 56 -6.385 -5.988 2.539 426 1HG LYS 56 HG2 LYS 56 -7.899 -5.459 5.108 427 2HG LYS 56 HG1 LYS 56 -8.649 -6.190 3.689 428 1HD LYS 56 HD2 LYS 56 -6.480 -7.762 3.851 429 2HD LYS 56 HD1 LYS 56 -6.616 -7.319 5.553 430 1HE LYS 56 HE2 LYS 56 -8.745 -8.305 5.773 431 2HE LYS 56 HE1 LYS 56 -9.038 -8.277 4.022 432 1HZ LYS 56 HZ2 LYS 56 -6.804 -9.671 4.073 433 2HZ LYS 56 HZ1 LYS 56 -7.404 -10.112 5.600 434 3HZ LYS 56 HZ3 LYS 56 -8.326 -10.412 4.208 435 H LEU 57 HN LEU 57 -4.964 -2.335 3.806 436 HA LEU 57 HA LEU 57 -3.291 -2.701 1.428 437 1HB LEU 57 HB2 LEU 57 -3.766 -0.320 3.255 438 2HB LEU 57 HB1 LEU 57 -3.028 -0.251 1.657 439 HG LEU 57 HG LEU 57 -5.846 -1.208 2.229 440 1HD1 LEU 57 HD13 LEU 57 -4.641 1.422 1.445 441 2HD1 LEU 57 HD12 LEU 57 -6.228 0.990 0.808 442 3HD1 LEU 57 HD11 LEU 57 -5.975 1.091 2.550 443 1HD2 LEU 57 HD22 LEU 57 -4.782 -2.245 0.226 444 2HD2 LEU 57 HD21 LEU 57 -6.094 -1.156 -0.222 445 3HD2 LEU 57 HD23 LEU 57 -4.418 -0.635 -0.394 446 H THR 58 HN THR 58 -2.726 -1.436 4.728 447 HA THR 58 HA THR 58 0.116 -1.412 4.627 448 HB THR 58 HB THR 58 -1.698 -2.008 6.988 449 HG1 THR 58 HG1 THR 58 -2.436 -0.076 6.739 450 1HG2 THR 58 HG23 THR 58 1.106 -1.644 6.729 451 2HG2 THR 58 HG22 THR 58 0.460 -0.198 7.503 452 3HG2 THR 58 HG21 THR 58 0.166 -1.782 8.216 453 H LYS 59 HN LYS 59 -2.208 -4.013 5.181 454 HA LYS 59 HA LYS 59 -0.240 -5.913 6.121 455 1HB LYS 59 HB2 LYS 59 -2.943 -5.661 6.254 456 2HB LYS 59 HB1 LYS 59 -2.800 -6.823 4.936 457 1HG LYS 59 HG2 LYS 59 -0.967 -7.532 7.045 458 2HG LYS 59 HG1 LYS 59 -2.589 -7.339 7.712 459 1HD LYS 59 HD2 LYS 59 -3.112 -8.708 5.394 460 2HD LYS 59 HD1 LYS 59 -1.552 -9.387 5.864 461 1HE LYS 59 HE2 LYS 59 -3.149 -9.165 8.230 462 2HE LYS 59 HE1 LYS 59 -4.115 -9.981 6.983 463 1HZ LYS 59 HZ3 LYS 59 -1.275 -10.650 7.520 464 2HZ LYS 59 HZ2 LYS 59 -2.564 -11.460 8.275 465 3HZ LYS 59 HZ1 LYS 59 -2.390 -11.525 6.587 466 H ALA 60 HN ALA 60 -1.512 -4.908 3.021 467 HA ALA 60 HA ALA 60 -0.663 -7.218 1.533 468 1HB ALA 60 HB3 ALA 60 -2.170 -4.908 1.129 469 2HB ALA 60 HB2 ALA 60 -0.764 -4.675 0.091 470 3HB ALA 60 HB1 ALA 60 -1.779 -6.103 -0.107 471 H THR 61 HN THR 61 0.733 -3.976 2.085 472 HA THR 61 HA THR 61 3.179 -4.543 0.627 473 HB THR 61 HB THR 61 2.210 -2.269 1.089 474 HG1 THR 61 HG1 THR 61 4.796 -3.002 1.862 475 1HG2 THR 61 HG21 THR 61 1.445 -2.824 3.399 476 2HG2 THR 61 HG23 THR 61 3.128 -2.818 3.923 477 3HG2 THR 61 HG22 THR 61 2.386 -1.333 3.329 478 H ALA 62 HN ALA 62 2.005 -4.792 3.876 479 HA ALA 62 HA ALA 62 4.446 -5.366 5.250 480 1HB ALA 62 HB2 ALA 62 1.561 -6.197 5.703 481 2HB ALA 62 HB1 ALA 62 2.841 -6.409 6.898 482 3HB ALA 62 HB3 ALA 62 2.369 -4.788 6.389 483 H ASP 63 HN ASP 63 2.183 -7.352 3.392 484 HA ASP 63 HA ASP 63 3.705 -9.822 3.992 485 1HB ASP 63 HB2 ASP 63 1.161 -9.608 3.867 486 2HB ASP 63 HB1 ASP 63 1.352 -9.393 2.127 487 H ALA 64 HN ALA 64 3.830 -7.243 1.802 488 HA ALA 64 HA ALA 64 4.696 -8.745 -0.556 489 1HB ALA 64 HB2 ALA 64 3.659 -6.264 -0.055 490 2HB ALA 64 HB1 ALA 64 5.371 -5.877 -0.212 491 3HB ALA 64 HB3 ALA 64 4.522 -6.674 -1.537 492 H GLY 65 HN GLY 65 6.095 -7.341 2.305 493 1HA GLY 65 HA2 GLY 65 8.359 -8.578 2.724 494 2HA GLY 65 HA1 GLY 65 8.829 -7.797 1.220 495 H TYR 66 HN TYR 66 6.745 -5.894 3.254 496 HA TYR 66 HA TYR 66 9.109 -4.530 4.460 497 1HB TYR 66 HB2 TYR 66 6.914 -3.145 2.910 498 2HB TYR 66 HB1 TYR 66 8.402 -2.427 3.520 499 HD1 TYR 66 HD1 TYR 66 10.594 -3.793 2.738 500 HD2 TYR 66 HD2 TYR 66 6.825 -3.633 0.720 501 HE1 TYR 66 HE1 TYR 66 11.719 -4.341 0.612 502 HE2 TYR 66 HE2 TYR 66 7.930 -4.168 -1.412 503 HH TYR 66 HH TYR 66 10.772 -5.533 -1.720 504 HA PRO 67 HA PRO 67 5.992 -4.636 7.772 505 1HB PRO 67 HB2 PRO 67 7.923 -3.278 9.421 506 2HB PRO 67 HB1 PRO 67 7.449 -4.977 9.498 507 1HG PRO 67 HG2 PRO 67 9.933 -3.881 8.554 508 2HG PRO 67 HG1 PRO 67 9.459 -5.580 8.648 509 1HD PRO 67 HD2 PRO 67 9.750 -3.958 6.283 510 2HD PRO 67 HD1 PRO 67 9.246 -5.663 6.379 511 H SER 68 HN SER 68 4.662 -2.996 6.768 512 HA SER 68 HA SER 68 5.629 -0.182 7.012 513 1HB SER 68 HB2 SER 68 4.972 -0.225 4.854 514 2HB SER 68 HB1 SER 68 4.224 -1.803 5.065 515 HG SER 68 HG SER 68 2.895 0.213 4.544 516 H SER 69 HN SER 69 3.395 1.243 6.904 517 HA SER 69 HA SER 69 1.445 0.399 8.964 518 1HB SER 69 HB2 SER 69 3.052 2.965 9.140 519 2HB SER 69 HB1 SER 69 1.961 2.305 10.354 520 HG SER 69 HG SER 69 3.467 0.945 10.972 521 H VAL 70 HN VAL 70 0.244 2.953 9.174 522 HA VAL 70 HA VAL 70 -0.234 3.719 6.345 523 HB VAL 70 HB VAL 70 -1.727 1.923 7.315 524 1HG1 VAL 70 HG13 VAL 70 -1.859 3.411 9.515 525 2HG1 VAL 70 HG12 VAL 70 -3.231 4.128 8.671 526 3HG1 VAL 70 HG11 VAL 70 -3.219 2.401 9.025 527 1HG2 VAL 70 HG21 VAL 70 -2.273 4.154 5.649 528 2HG2 VAL 70 HG23 VAL 70 -3.128 2.614 5.670 529 3HG2 VAL 70 HG22 VAL 70 -3.690 3.951 6.672 530 H LYS 71 HN LYS 71 -1.444 5.753 6.123 531 HA LYS 71 HA LYS 71 -1.103 7.533 8.522 532 1HB LYS 71 HB2 LYS 71 -0.851 8.612 5.747 533 2HB LYS 71 HB1 LYS 71 0.003 9.098 7.210 534 1HG LYS 71 HG2 LYS 71 1.369 7.078 7.131 535 2HG LYS 71 HG1 LYS 71 0.471 6.498 5.728 536 1HD LYS 71 HD2 LYS 71 2.143 7.496 4.555 537 2HD LYS 71 HD1 LYS 71 1.203 8.959 4.851 538 1HE LYS 71 HE2 LYS 71 3.554 9.341 5.489 539 2HE LYS 71 HE1 LYS 71 2.541 9.335 6.947 540 1HZ LYS 71 HZ3 LYS 71 3.646 6.804 5.935 541 2HZ LYS 71 HZ2 LYS 71 4.642 7.833 6.850 542 3HZ LYS 71 HZ1 LYS 71 3.204 7.224 7.518 543 H GLN 72 HN GLN 72 -3.354 6.050 7.383 544 HA GLN 72 HA GLN 72 -5.642 6.388 6.793 545 1HB GLN 72 HB2 GLN 72 -4.730 8.229 8.905 546 2HB GLN 72 HB1 GLN 72 -6.224 8.736 8.114 547 1HG GLN 72 HG2 GLN 72 -6.899 6.208 8.424 548 2HG GLN 72 HG1 GLN 72 -5.670 6.241 9.687 549 1HE2 GLN 72 HE22 GLN 72 -7.737 9.198 11.058 550 2HE2 GLN 72 HE21 GLN 72 -6.308 9.220 10.143 No H/Q in entry = 550 Start of MODEL 11 1 1H ALA 1 HT1 ALA 1 17.081 4.990 -0.349 2 2H ALA 1 HT3 ALA 1 18.259 4.186 0.570 3 3H ALA 1 HT2 ALA 1 18.293 4.088 -1.126 4 HA ALA 1 HA ALA 1 16.397 2.721 -1.213 5 1HB ALA 1 HB3 ALA 1 18.760 2.135 0.159 6 2HB ALA 1 HB2 ALA 1 17.488 1.487 1.196 7 3HB ALA 1 HB1 ALA 1 17.614 0.956 -0.481 8 H THR 2 HN THR 2 15.157 4.838 -0.028 9 HA THR 2 HA THR 2 13.405 3.591 1.956 10 HB THR 2 HB THR 2 13.836 6.100 2.985 11 HG1 THR 2 HG1 THR 2 16.117 6.269 3.087 12 1HG2 THR 2 HG22 THR 2 14.122 3.437 3.784 13 2HG2 THR 2 HG21 THR 2 15.676 4.186 4.148 14 3HG2 THR 2 HG23 THR 2 14.194 4.857 4.828 15 H GLN 3 HN GLN 3 11.886 3.785 0.192 16 HA GLN 3 HA GLN 3 11.302 6.591 -0.685 17 1HB GLN 3 HB2 GLN 3 11.834 4.252 -2.070 18 2HB GLN 3 HB1 GLN 3 10.079 4.395 -2.180 19 1HG GLN 3 HG2 GLN 3 10.838 6.976 -2.651 20 2HG GLN 3 HG1 GLN 3 12.185 6.094 -3.371 21 1HE2 GLN 3 HE22 GLN 3 9.992 6.047 -6.210 22 2HE2 GLN 3 HE21 GLN 3 11.285 6.889 -5.504 23 H THR 4 HN THR 4 9.046 7.128 -1.095 24 HA THR 4 HA THR 4 7.055 5.580 0.517 25 HB THR 4 HB THR 4 7.414 8.596 0.474 26 HG1 THR 4 HG1 THR 4 8.362 6.583 2.199 27 1HG2 THR 4 HG23 THR 4 5.150 7.372 1.024 28 2HG2 THR 4 HG22 THR 4 5.943 7.028 2.562 29 3HG2 THR 4 HG21 THR 4 5.705 8.698 2.047 30 H VAL 5 HN VAL 5 5.149 5.308 -0.633 31 HA VAL 5 HA VAL 5 4.572 7.172 -2.926 32 HB VAL 5 HB VAL 5 4.304 4.171 -3.059 33 1HG1 VAL 5 HG11 VAL 5 4.394 6.438 -5.054 34 2HG1 VAL 5 HG13 VAL 5 4.540 4.748 -5.532 35 3HG1 VAL 5 HG12 VAL 5 3.065 5.321 -4.752 36 1HG2 VAL 5 HG22 VAL 5 6.727 5.886 -3.324 37 2HG2 VAL 5 HG21 VAL 5 6.600 4.190 -2.856 38 3HG2 VAL 5 HG23 VAL 5 6.502 4.646 -4.557 39 H THR 6 HN THR 6 2.310 6.796 -3.695 40 HA THR 6 HA THR 6 0.525 6.174 -1.392 41 HB THR 6 HB THR 6 -1.027 7.477 -3.135 42 HG1 THR 6 HG1 THR 6 0.835 7.398 -4.632 43 1HG2 THR 6 HG21 THR 6 0.974 8.466 -1.173 44 2HG2 THR 6 HG23 THR 6 0.178 9.664 -2.192 45 3HG2 THR 6 HG22 THR 6 -0.784 8.612 -1.154 46 H LEU 7 HN LEU 7 -1.403 4.841 -2.015 47 HA LEU 7 HA LEU 7 -0.918 3.374 -4.582 48 1HB LEU 7 HB2 LEU 7 -0.858 2.490 -1.806 49 2HB LEU 7 HB1 LEU 7 -1.995 1.545 -2.764 50 HG LEU 7 HG LEU 7 -0.318 0.897 -4.306 51 1HD1 LEU 7 HD11 LEU 7 1.234 3.168 -3.124 52 2HD1 LEU 7 HD13 LEU 7 2.064 1.856 -3.957 53 3HD1 LEU 7 HD12 LEU 7 0.875 2.830 -4.812 54 1HD2 LEU 7 HD23 LEU 7 0.877 0.970 -1.521 55 2HD2 LEU 7 HD22 LEU 7 -0.064 -0.344 -2.227 56 3HD2 LEU 7 HD21 LEU 7 1.547 0.021 -2.846 57 H ALA 8 HN ALA 8 -2.804 2.373 -5.481 58 HA ALA 8 HA ALA 8 -5.344 3.766 -4.685 59 1HB ALA 8 HB1 ALA 8 -4.119 2.788 -7.251 60 2HB ALA 8 HB3 ALA 8 -5.870 2.957 -7.145 61 3HB ALA 8 HB2 ALA 8 -4.832 4.360 -6.891 62 H VAL 9 HN VAL 9 -6.563 2.373 -3.435 63 HA VAL 9 HA VAL 9 -6.659 -0.510 -4.261 64 HB VAL 9 HB VAL 9 -5.686 -0.415 -2.115 65 1HG1 VAL 9 HG12 VAL 9 -7.653 1.818 -1.532 66 2HG1 VAL 9 HG11 VAL 9 -6.607 1.096 -0.310 67 3HG1 VAL 9 HG13 VAL 9 -5.901 1.953 -1.679 68 1HG2 VAL 9 HG23 VAL 9 -8.313 -1.377 -2.331 69 2HG2 VAL 9 HG22 VAL 9 -7.146 -1.784 -1.076 70 3HG2 VAL 9 HG21 VAL 9 -8.289 -0.466 -0.822 71 HA PRO 10 HA PRO 10 -10.927 0.989 -4.945 72 1HB PRO 10 HB2 PRO 10 -11.299 -0.872 -7.003 73 2HB PRO 10 HB1 PRO 10 -10.758 0.797 -7.213 74 1HG PRO 10 HG2 PRO 10 -9.239 -1.663 -7.552 75 2HG PRO 10 HG1 PRO 10 -8.780 -0.012 -7.979 76 1HD PRO 10 HD2 PRO 10 -7.864 -1.592 -5.730 77 2HD PRO 10 HD1 PRO 10 -7.366 0.055 -6.190 78 H GLY 11 HN GLY 11 -10.414 -0.761 -2.765 79 1HA GLY 11 HA2 GLY 11 -11.944 -3.238 -3.254 80 2HA GLY 11 HA1 GLY 11 -11.111 -2.809 -1.761 81 H MET 12 HN MET 12 -12.215 -0.222 -1.411 82 HA MET 12 HA MET 12 -14.029 0.617 -0.120 83 1HB MET 12 HB2 MET 12 -15.938 0.937 -1.593 84 2HB MET 12 HB1 MET 12 -14.472 1.028 -2.570 85 1HG MET 12 HG2 MET 12 -14.773 -1.222 -3.369 86 2HG MET 12 HG1 MET 12 -16.080 -1.514 -2.222 87 1HE MET 12 HE2 MET 12 -18.311 -0.442 -2.216 88 2HE MET 12 HE1 MET 12 -19.162 -0.403 -3.757 89 3HE MET 12 HE3 MET 12 -18.278 -1.855 -3.268 90 H THR 13 HN THR 13 -13.400 -1.995 0.700 91 HA THR 13 HA THR 13 -15.722 -3.722 0.804 92 HB THR 13 HB THR 13 -14.137 -4.414 2.929 93 HG1 THR 13 HG1 THR 13 -12.081 -3.837 2.521 94 1HG2 THR 13 HG22 THR 13 -14.048 -5.011 -0.003 95 2HG2 THR 13 HG21 THR 13 -12.809 -5.696 1.049 96 3HG2 THR 13 HG23 THR 13 -14.510 -6.060 1.337 97 H CYS 14 HN CYS 14 -15.310 -0.713 2.088 98 HA CYS 14 HA CYS 14 -16.674 0.470 3.609 99 1HB CYS 14 HB2 CYS 14 -18.198 -1.618 3.093 100 2HB CYS 14 HB1 CYS 14 -17.684 -2.151 4.694 101 HG CYS 14 HG CYS 14 -18.563 0.624 5.084 102 H ALA 15 HN ALA 15 -14.873 1.153 4.806 103 HA ALA 15 HA ALA 15 -13.430 1.261 6.674 104 1HB ALA 15 HB1 ALA 15 -15.752 1.137 7.670 105 2HB ALA 15 HB3 ALA 15 -15.524 -0.604 7.834 106 3HB ALA 15 HB2 ALA 15 -14.486 0.508 8.725 107 H ALA 16 HN ALA 16 -13.271 -1.078 4.667 108 HA ALA 16 HA ALA 16 -11.707 -2.931 6.449 109 1HB ALA 16 HB1 ALA 16 -13.764 -3.321 4.355 110 2HB ALA 16 HB3 ALA 16 -12.390 -4.423 4.266 111 3HB ALA 16 HB2 ALA 16 -13.363 -4.343 5.735 112 H CYS 17 HN CYS 17 -12.044 -1.759 3.108 113 HA CYS 17 HA CYS 17 -9.742 -2.622 1.888 114 1HB CYS 17 HB2 CYS 17 -9.800 0.161 1.288 115 2HB CYS 17 HB1 CYS 17 -10.439 -1.162 0.330 116 HG CYS 17 HG CYS 17 -12.234 0.194 2.506 117 HA PRO 18 HA PRO 18 -6.969 0.974 3.673 118 1HB PRO 18 HB2 PRO 18 -8.167 2.048 5.999 119 2HB PRO 18 HB1 PRO 18 -7.996 2.833 4.424 120 1HG PRO 18 HG2 PRO 18 -10.382 1.658 5.673 121 2HG PRO 18 HG1 PRO 18 -10.266 2.799 4.332 122 1HD PRO 18 HD2 PRO 18 -10.966 0.098 4.097 123 2HD PRO 18 HD1 PRO 18 -10.402 1.142 2.768 124 H ILE 19 HN ILE 19 -8.716 -1.243 5.799 125 HA ILE 19 HA ILE 19 -6.574 -1.165 7.830 126 HB ILE 19 HB ILE 19 -9.157 -2.718 7.494 127 1HG1 ILE 19 HG12 ILE 19 -8.332 -0.368 9.229 128 2HG1 ILE 19 HG11 ILE 19 -9.478 -0.331 7.890 129 1HG2 ILE 19 HG21 ILE 19 -6.926 -3.311 9.143 130 2HG2 ILE 19 HG23 ILE 19 -8.165 -2.620 10.192 131 3HG2 ILE 19 HG22 ILE 19 -8.533 -4.036 9.206 132 1HD1 ILE 19 HD13 ILE 19 -10.838 -2.064 9.177 133 2HD1 ILE 19 HD12 ILE 19 -9.789 -1.727 10.554 134 3HD1 ILE 19 HD11 ILE 19 -10.797 -0.447 9.880 135 H THR 20 HN THR 20 -7.802 -3.330 5.335 136 HA THR 20 HA THR 20 -6.016 -5.532 5.995 137 HB THR 20 HB THR 20 -8.134 -4.758 4.084 138 HG1 THR 20 HG1 THR 20 -8.980 -6.357 5.119 139 1HG2 THR 20 HG22 THR 20 -6.278 -5.315 2.537 140 2HG2 THR 20 HG21 THR 20 -6.132 -6.890 3.317 141 3HG2 THR 20 HG23 THR 20 -7.606 -6.473 2.443 142 H VAL 21 HN VAL 21 -6.150 -2.914 3.612 143 HA VAL 21 HA VAL 21 -3.811 -3.636 2.143 144 HB VAL 21 HB VAL 21 -5.363 -1.086 2.639 145 1HG1 VAL 21 HG13 VAL 21 -2.949 -1.578 0.896 146 2HG1 VAL 21 HG12 VAL 21 -4.093 -0.283 0.554 147 3HG1 VAL 21 HG11 VAL 21 -3.195 -0.289 2.072 148 1HG2 VAL 21 HG21 VAL 21 -5.354 -3.285 0.627 149 2HG2 VAL 21 HG23 VAL 21 -6.710 -2.367 1.281 150 3HG2 VAL 21 HG22 VAL 21 -5.681 -1.656 0.037 151 H LYS 22 HN LYS 22 -4.396 -1.325 4.789 152 HA LYS 22 HA LYS 22 -1.786 -0.310 5.103 153 1HB LYS 22 HB2 LYS 22 -3.742 0.523 6.300 154 2HB LYS 22 HB1 LYS 22 -3.915 -1.014 7.149 155 1HG LYS 22 HG2 LYS 22 -1.634 -0.661 8.134 156 2HG LYS 22 HG1 LYS 22 -1.611 0.940 7.395 157 1HD LYS 22 HD2 LYS 22 -3.456 1.685 8.708 158 2HD LYS 22 HD1 LYS 22 -3.843 0.044 9.225 159 1HE LYS 22 HE2 LYS 22 -1.085 0.896 9.870 160 2HE LYS 22 HE1 LYS 22 -2.360 1.786 10.727 161 1HZ LYS 22 HZ1 LYS 22 -2.546 -1.139 10.432 162 2HZ LYS 22 HZ3 LYS 22 -1.579 -0.483 11.660 163 3HZ LYS 22 HZ2 LYS 22 -3.240 -0.135 11.614 164 H LYS 23 HN LYS 23 -3.210 -3.283 6.495 165 HA LYS 23 HA LYS 23 -0.794 -4.032 7.898 166 1HB LYS 23 HB2 LYS 23 -3.187 -5.660 7.004 167 2HB LYS 23 HB1 LYS 23 -2.044 -6.116 8.268 168 1HG LYS 23 HG2 LYS 23 -3.447 -3.470 8.454 169 2HG LYS 23 HG1 LYS 23 -4.310 -4.936 8.920 170 1HD LYS 23 HD2 LYS 23 -1.963 -5.360 10.203 171 2HD LYS 23 HD1 LYS 23 -2.009 -3.597 10.234 172 1HE LYS 23 HE2 LYS 23 -4.565 -4.106 10.963 173 2HE LYS 23 HE1 LYS 23 -3.775 -5.553 11.618 174 1HZ LYS 23 HZ2 LYS 23 -2.364 -3.031 11.971 175 2HZ LYS 23 HZ1 LYS 23 -3.778 -3.225 12.893 176 3HZ LYS 23 HZ3 LYS 23 -2.515 -4.348 13.034 177 H ALA 24 HN ALA 24 -1.839 -4.431 4.618 178 HA ALA 24 HA ALA 24 -0.209 -6.726 3.998 179 1HB ALA 24 HB1 ALA 24 -2.247 -5.172 2.830 180 2HB ALA 24 HB3 ALA 24 -0.859 -5.018 1.753 181 3HB ALA 24 HB2 ALA 24 -1.498 -6.615 2.145 182 H LEU 25 HN LEU 25 0.034 -3.320 2.929 183 HA LEU 25 HA LEU 25 2.646 -3.449 1.854 184 1HB LEU 25 HB2 LEU 25 1.163 -1.207 3.264 185 2HB LEU 25 HB1 LEU 25 2.538 -0.988 2.181 186 HG LEU 25 HG LEU 25 0.891 -2.556 0.661 187 1HD1 LEU 25 HD12 LEU 25 -0.729 -1.190 2.683 188 2HD1 LEU 25 HD11 LEU 25 -1.242 -0.877 1.026 189 3HD1 LEU 25 HD13 LEU 25 -1.148 -2.535 1.620 190 1HD2 LEU 25 HD21 LEU 25 1.746 0.210 0.809 191 2HD2 LEU 25 HD23 LEU 25 1.486 -0.796 -0.615 192 3HD2 LEU 25 HD22 LEU 25 0.137 0.087 0.098 193 H SER 26 HN SER 26 1.529 -2.889 5.161 194 HA SER 26 HA SER 26 4.132 -2.207 6.258 195 1HB SER 26 HB2 SER 26 1.553 -2.021 7.069 196 2HB SER 26 HB1 SER 26 2.010 -3.493 7.918 197 HG SER 26 HG SER 26 4.004 -1.839 8.247 198 H LYS 27 HN LYS 27 2.409 -5.212 5.577 199 HA LYS 27 HA LYS 27 4.364 -6.770 7.127 200 1HB LYS 27 HB2 LYS 27 2.286 -7.727 7.402 201 2HB LYS 27 HB1 LYS 27 1.714 -7.135 5.849 202 1HG LYS 27 HG2 LYS 27 3.795 -9.289 5.933 203 2HG LYS 27 HG1 LYS 27 2.093 -9.697 6.158 204 1HD LYS 27 HD2 LYS 27 2.408 -7.842 3.958 205 2HD LYS 27 HD1 LYS 27 3.406 -9.275 3.707 206 1HE LYS 27 HE2 LYS 27 1.230 -10.574 4.457 207 2HE LYS 27 HE1 LYS 27 0.416 -9.076 3.963 208 1HZ LYS 27 HZ3 LYS 27 1.652 -9.176 1.861 209 2HZ LYS 27 HZ2 LYS 27 2.314 -10.671 2.322 210 3HZ LYS 27 HZ1 LYS 27 0.641 -10.523 2.063 211 H VAL 28 HN VAL 28 4.199 -5.412 4.072 212 HA VAL 28 HA VAL 28 4.993 -7.274 2.183 213 HB VAL 28 HB VAL 28 5.731 -4.438 2.839 214 1HG1 VAL 28 HG12 VAL 28 7.301 -6.247 1.130 215 2HG1 VAL 28 HG11 VAL 28 6.757 -4.790 0.298 216 3HG1 VAL 28 HG13 VAL 28 7.722 -4.658 1.767 217 1HG2 VAL 28 HG22 VAL 28 3.596 -5.434 1.629 218 2HG2 VAL 28 HG21 VAL 28 4.324 -3.930 1.066 219 3HG2 VAL 28 HG23 VAL 28 4.663 -5.442 0.225 220 H GLU 29 HN GLU 29 7.573 -5.329 3.593 221 HA GLU 29 HA GLU 29 9.049 -7.330 4.954 222 1HB GLU 29 HB2 GLU 29 9.060 -7.422 2.015 223 2HB GLU 29 HB1 GLU 29 10.681 -7.362 2.712 224 1HG GLU 29 HG2 GLU 29 8.974 -9.171 4.207 225 2HG GLU 29 HG1 GLU 29 9.038 -9.624 2.503 226 H GLY 30 HN GLY 30 10.204 -5.232 2.311 227 1HA GLY 30 HA2 GLY 30 12.119 -3.917 4.033 228 2HA GLY 30 HA1 GLY 30 11.704 -3.418 2.391 229 H VAL 31 HN VAL 31 8.774 -3.493 3.347 230 HA VAL 31 HA VAL 31 8.293 -0.750 3.703 231 HB VAL 31 HB VAL 31 6.728 -2.755 3.273 232 1HG1 VAL 31 HG12 VAL 31 7.465 -3.866 5.458 233 2HG1 VAL 31 HG11 VAL 31 6.472 -2.666 6.285 234 3HG1 VAL 31 HG13 VAL 31 5.728 -3.808 5.165 235 1HG2 VAL 31 HG22 VAL 31 6.252 -0.248 4.778 236 2HG2 VAL 31 HG21 VAL 31 5.510 -0.822 3.285 237 3HG2 VAL 31 HG23 VAL 31 4.947 -1.427 4.841 238 H SER 32 HN SER 32 8.354 0.617 5.340 239 HA SER 32 HA SER 32 9.137 -0.438 8.034 240 1HB SER 32 HB2 SER 32 10.744 0.955 6.437 241 2HB SER 32 HB1 SER 32 9.836 2.317 7.087 242 HG SER 32 HG SER 32 10.318 1.079 9.192 243 H LYS 33 HN LYS 33 6.889 1.351 6.195 244 HA LYS 33 HA LYS 33 5.327 1.951 8.620 245 1HB LYS 33 HB2 LYS 33 6.671 3.851 8.811 246 2HB LYS 33 HB1 LYS 33 6.901 3.987 7.072 247 1HG LYS 33 HG2 LYS 33 4.923 5.130 6.760 248 2HG LYS 33 HG1 LYS 33 4.127 4.330 8.113 249 1HD LYS 33 HD2 LYS 33 4.649 6.777 8.496 250 2HD LYS 33 HD1 LYS 33 5.302 5.682 9.715 251 1HE LYS 33 HE2 LYS 33 7.255 5.854 7.653 252 2HE LYS 33 HE1 LYS 33 6.744 7.511 8.030 253 1HZ LYS 33 HZ3 LYS 33 6.812 6.579 10.461 254 2HZ LYS 33 HZ2 LYS 33 7.929 5.489 9.793 255 3HZ LYS 33 HZ1 LYS 33 8.222 7.161 9.720 256 H VAL 34 HN VAL 34 3.161 2.795 8.036 257 HA VAL 34 HA VAL 34 2.472 2.638 5.136 258 HB VAL 34 HB VAL 34 2.219 0.408 6.306 259 1HG1 VAL 34 HG11 VAL 34 1.571 1.404 8.511 260 2HG1 VAL 34 HG13 VAL 34 0.024 1.870 7.805 261 3HG1 VAL 34 HG12 VAL 34 0.444 0.164 7.958 262 1HG2 VAL 34 HG21 VAL 34 0.733 1.377 4.370 263 2HG2 VAL 34 HG23 VAL 34 0.211 -0.089 5.201 264 3HG2 VAL 34 HG22 VAL 34 -0.514 1.464 5.615 265 H ASP 35 HN ASP 35 -0.038 3.248 4.998 266 HA ASP 35 HA ASP 35 -0.907 5.085 7.143 267 1HB ASP 35 HB2 ASP 35 0.797 6.251 5.641 268 2HB ASP 35 HB1 ASP 35 -0.393 6.122 4.348 269 H VAL 36 HN VAL 36 -3.125 5.774 6.826 270 HA VAL 36 HA VAL 36 -4.613 4.036 4.899 271 HB VAL 36 HB VAL 36 -5.682 5.484 7.330 272 1HG1 VAL 36 HG11 VAL 36 -6.948 4.061 5.375 273 2HG1 VAL 36 HG13 VAL 36 -6.602 2.791 6.547 274 3HG1 VAL 36 HG12 VAL 36 -7.542 4.203 7.030 275 1HG2 VAL 36 HG22 VAL 36 -4.303 2.784 7.187 276 2HG2 VAL 36 HG21 VAL 36 -3.772 4.188 8.112 277 3HG2 VAL 36 HG23 VAL 36 -5.251 3.341 8.566 278 H GLY 37 HN GLY 37 -5.113 5.203 3.083 279 1HA GLY 37 HA2 GLY 37 -6.073 8.013 3.457 280 2HA GLY 37 HA1 GLY 37 -5.211 7.471 2.016 281 H PHE 38 HN PHE 38 -7.962 6.125 3.874 282 HA PHE 38 HA PHE 38 -9.297 5.073 1.586 283 1HB PHE 38 HB2 PHE 38 -9.551 4.615 4.117 284 2HB PHE 38 HB1 PHE 38 -10.612 6.020 4.136 285 HD1 PHE 38 HD2 PHE 38 -10.430 3.802 1.174 286 HD2 PHE 38 HD1 PHE 38 -12.563 4.721 4.790 287 HE1 PHE 38 HE2 PHE 38 -12.310 2.384 0.422 288 HE2 PHE 38 HE1 PHE 38 -14.442 3.294 4.036 289 HZ PHE 38 HZ PHE 38 -14.323 2.124 1.858 290 H GLU 39 HN GLU 39 -9.099 8.304 2.831 291 HA GLU 39 HA GLU 39 -11.501 9.511 2.061 292 1HB GLU 39 HB2 GLU 39 -9.366 10.482 3.120 293 2HB GLU 39 HB1 GLU 39 -8.750 10.639 1.474 294 1HG GLU 39 HG2 GLU 39 -11.208 11.759 1.176 295 2HG GLU 39 HG1 GLU 39 -10.867 12.189 2.853 296 H LYS 40 HN LYS 40 -8.946 8.204 0.059 297 HA LYS 40 HA LYS 40 -10.603 8.753 -2.358 298 1HB LYS 40 HB2 LYS 40 -7.929 9.757 -1.627 299 2HB LYS 40 HB1 LYS 40 -8.015 9.054 -3.243 300 1HG LYS 40 HG2 LYS 40 -10.338 10.707 -2.731 301 2HG LYS 40 HG1 LYS 40 -8.854 11.627 -2.480 302 1HD LYS 40 HD2 LYS 40 -8.220 11.474 -4.680 303 2HD LYS 40 HD1 LYS 40 -8.948 9.881 -4.888 304 1HE LYS 40 HE2 LYS 40 -10.422 11.212 -6.134 305 2HE LYS 40 HE1 LYS 40 -11.213 11.243 -4.545 306 1HZ LYS 40 HZ3 LYS 40 -9.087 13.179 -5.204 307 2HZ LYS 40 HZ2 LYS 40 -10.690 13.475 -5.684 308 3HZ LYS 40 HZ1 LYS 40 -10.312 13.300 -4.037 309 H ARG 41 HN ARG 41 -10.413 6.306 -0.931 310 HA ARG 41 HA ARG 41 -9.745 4.041 -1.169 311 1HB ARG 41 HB2 ARG 41 -10.152 5.143 -3.958 312 2HB ARG 41 HB1 ARG 41 -9.938 3.420 -3.642 313 1HG ARG 41 HG2 ARG 41 -11.854 4.377 -1.778 314 2HG ARG 41 HG1 ARG 41 -12.316 5.000 -3.362 315 1HD ARG 41 HD2 ARG 41 -11.515 2.306 -3.766 316 2HD ARG 41 HD1 ARG 41 -12.594 2.317 -2.359 317 HE ARG 41 HE ARG 41 -13.799 4.040 -4.200 318 1HH1 ARG 41 HH21 ARG 41 -12.721 0.759 -4.132 319 2HH1 ARG 41 HH22 ARG 41 -13.916 0.208 -5.258 320 1HH2 ARG 41 HH11 ARG 41 -15.358 3.333 -5.673 321 2HH2 ARG 41 HH12 ARG 41 -15.409 1.662 -6.127 322 H GLU 42 HN GLU 42 -7.475 5.213 -0.464 323 HA GLU 42 HA GLU 42 -5.469 4.009 -2.291 324 1HB GLU 42 HB2 GLU 42 -5.353 6.142 -3.188 325 2HB GLU 42 HB1 GLU 42 -5.900 6.906 -1.698 326 1HG GLU 42 HG2 GLU 42 -3.242 5.546 -1.637 327 2HG GLU 42 HG1 GLU 42 -3.353 7.071 -2.516 328 H ALA 43 HN ALA 43 -3.477 3.492 -1.224 329 HA ALA 43 HA ALA 43 -3.495 3.877 1.762 330 1HB ALA 43 HB1 ALA 43 -2.616 1.526 0.039 331 2HB ALA 43 HB3 ALA 43 -2.326 1.630 1.776 332 3HB ALA 43 HB2 ALA 43 -3.977 1.554 1.160 333 H VAL 44 HN VAL 44 -1.573 4.831 2.532 334 HA VAL 44 HA VAL 44 0.542 5.295 0.459 335 HB VAL 44 HB VAL 44 -0.713 6.795 2.664 336 1HG1 VAL 44 HG11 VAL 44 2.273 6.657 2.376 337 2HG1 VAL 44 HG13 VAL 44 1.530 8.213 2.748 338 3HG1 VAL 44 HG12 VAL 44 1.306 6.846 3.837 339 1HG2 VAL 44 HG22 VAL 44 -0.314 7.111 -0.032 340 2HG2 VAL 44 HG21 VAL 44 -0.797 8.397 1.072 341 3HG2 VAL 44 HG23 VAL 44 0.902 8.189 0.651 342 H VAL 45 HN VAL 45 2.678 4.664 0.888 343 HA VAL 45 HA VAL 45 3.212 3.460 3.567 344 HB VAL 45 HB VAL 45 2.185 1.896 1.785 345 1HG1 VAL 45 HG11 VAL 45 3.730 2.686 -0.029 346 2HG1 VAL 45 HG13 VAL 45 5.057 1.906 0.833 347 3HG1 VAL 45 HG12 VAL 45 3.729 0.936 0.194 348 1HG2 VAL 45 HG23 VAL 45 4.606 1.417 3.488 349 2HG2 VAL 45 HG22 VAL 45 2.964 0.805 3.692 350 3HG2 VAL 45 HG21 VAL 45 4.019 0.112 2.459 351 H THR 46 HN THR 46 5.307 3.405 4.175 352 HA THR 46 HA THR 46 7.383 4.614 2.389 353 HB THR 46 HB THR 46 6.771 4.600 5.342 354 HG1 THR 46 HG1 THR 46 6.331 6.563 4.806 355 1HG2 THR 46 HG21 THR 46 9.473 4.776 4.054 356 2HG2 THR 46 HG23 THR 46 9.136 5.748 5.486 357 3HG2 THR 46 HG22 THR 46 9.004 3.991 5.562 358 H PHE 47 HN PHE 47 9.489 3.455 2.414 359 HA PHE 47 HA PHE 47 9.712 0.975 3.929 360 1HB PHE 47 HB2 PHE 47 9.495 -0.519 1.995 361 2HB PHE 47 HB1 PHE 47 8.019 0.421 2.207 362 HD1 PHE 47 HD2 PHE 47 11.222 0.265 0.255 363 HD2 PHE 47 HD1 PHE 47 7.245 1.891 0.537 364 HE1 PHE 47 HE2 PHE 47 11.425 1.160 -2.037 365 HE2 PHE 47 HE1 PHE 47 7.452 2.781 -1.765 366 HZ PHE 47 HZ PHE 47 9.531 2.417 -3.053 367 H ASP 48 HN ASP 48 11.507 -0.427 2.810 368 HA ASP 48 HA ASP 48 13.719 1.445 2.113 369 1HB ASP 48 HB2 ASP 48 13.663 -1.367 3.266 370 2HB ASP 48 HB1 ASP 48 15.137 -0.457 2.935 371 H ASP 49 HN ASP 49 14.001 1.478 -0.074 372 HA ASP 49 HA ASP 49 12.893 -0.356 -1.913 373 1HB ASP 49 HB2 ASP 49 13.649 1.877 -2.493 374 2HB ASP 49 HB1 ASP 49 15.312 1.464 -2.071 375 H THR 50 HN THR 50 15.586 -0.783 0.151 376 HA THR 50 HA THR 50 17.281 -2.470 -1.401 377 HB THR 50 HB THR 50 17.852 -3.319 0.979 378 HG1 THR 50 HG1 THR 50 16.092 -2.913 2.142 379 1HG2 THR 50 HG22 THR 50 18.360 -0.880 -0.382 380 2HG2 THR 50 HG21 THR 50 18.134 -0.485 1.322 381 3HG2 THR 50 HG23 THR 50 19.359 -1.661 0.844 382 H LYS 51 HN LYS 51 14.277 -3.156 0.359 383 HA LYS 51 HA LYS 51 14.402 -5.945 -0.730 384 1HB LYS 51 HB2 LYS 51 14.296 -4.937 2.010 385 2HB LYS 51 HB1 LYS 51 12.997 -6.081 1.667 386 1HG LYS 51 HG2 LYS 51 15.826 -6.691 0.835 387 2HG LYS 51 HG1 LYS 51 15.287 -7.020 2.481 388 1HD LYS 51 HD2 LYS 51 13.223 -8.096 1.091 389 2HD LYS 51 HD1 LYS 51 14.537 -8.361 -0.056 390 1HE LYS 51 HE2 LYS 51 15.850 -9.526 1.650 391 2HE LYS 51 HE1 LYS 51 14.604 -9.189 2.869 392 1HZ LYS 51 HZ2 LYS 51 12.998 -10.276 1.289 393 2HZ LYS 51 HZ1 LYS 51 14.344 -10.832 0.414 394 3HZ LYS 51 HZ3 LYS 51 14.116 -11.325 2.020 395 H ALA 52 HN ALA 52 12.669 -3.069 -0.632 396 HA ALA 52 HA ALA 52 10.223 -4.486 -1.585 397 1HB ALA 52 HB1 ALA 52 10.590 -3.133 0.930 398 2HB ALA 52 HB3 ALA 52 9.394 -2.263 -0.029 399 3HB ALA 52 HB2 ALA 52 9.159 -3.972 0.333 400 H SER 53 HN SER 53 8.588 -2.530 -2.224 401 HA SER 53 HA SER 53 9.563 -0.039 -3.151 402 1HB SER 53 HB2 SER 53 10.907 -0.657 -4.865 403 2HB SER 53 HB1 SER 53 10.544 -2.351 -4.555 404 HG SER 53 HG SER 53 9.888 -1.767 -6.641 405 H VAL 54 HN VAL 54 8.070 0.850 -4.930 406 HA VAL 54 HA VAL 54 5.393 0.767 -4.376 407 HB VAL 54 HB VAL 54 6.901 1.015 -6.979 408 1HG1 VAL 54 HG12 VAL 54 3.924 1.138 -6.496 409 2HG1 VAL 54 HG11 VAL 54 4.675 2.062 -7.797 410 3HG1 VAL 54 HG13 VAL 54 4.793 0.302 -7.782 411 1HG2 VAL 54 HG22 VAL 54 7.112 2.772 -5.220 412 2HG2 VAL 54 HG21 VAL 54 6.351 3.383 -6.689 413 3HG2 VAL 54 HG23 VAL 54 5.365 3.004 -5.277 414 H GLN 55 HN GLN 55 6.852 -1.335 -6.905 415 HA GLN 55 HA GLN 55 4.661 -2.856 -7.640 416 1HB GLN 55 HB2 GLN 55 7.237 -2.931 -8.208 417 2HB GLN 55 HB1 GLN 55 7.263 -4.212 -6.995 418 1HG GLN 55 HG2 GLN 55 6.801 -5.466 -8.887 419 2HG GLN 55 HG1 GLN 55 5.160 -5.082 -8.366 420 1HE2 GLN 55 HE22 GLN 55 4.481 -2.982 -11.141 421 2HE2 GLN 55 HE21 GLN 55 3.937 -3.540 -9.633 422 H LYS 56 HN LYS 56 6.739 -3.469 -4.785 423 HA LYS 56 HA LYS 56 5.165 -5.721 -3.868 424 1HB LYS 56 HB2 LYS 56 7.644 -4.575 -3.365 425 2HB LYS 56 HB1 LYS 56 6.754 -4.291 -1.868 426 1HG LYS 56 HG2 LYS 56 7.888 -6.463 -1.763 427 2HG LYS 56 HG1 LYS 56 6.140 -6.697 -1.800 428 1HD LYS 56 HD2 LYS 56 6.489 -8.081 -3.550 429 2HD LYS 56 HD1 LYS 56 6.852 -6.633 -4.490 430 1HE LYS 56 HE2 LYS 56 9.252 -6.822 -3.761 431 2HE LYS 56 HE1 LYS 56 8.846 -8.372 -2.997 432 1HZ LYS 56 HZ2 LYS 56 8.344 -7.684 -5.846 433 2HZ LYS 56 HZ1 LYS 56 9.613 -8.670 -5.292 434 3HZ LYS 56 HZ3 LYS 56 8.004 -9.173 -5.101 435 H LEU 57 HN LEU 57 5.003 -2.233 -3.268 436 HA LEU 57 HA LEU 57 3.348 -2.402 -0.904 437 1HB LEU 57 HB2 LEU 57 3.529 -0.246 -3.037 438 2HB LEU 57 HB1 LEU 57 2.985 -0.025 -1.376 439 HG LEU 57 HG LEU 57 5.769 -0.874 -2.220 440 1HD1 LEU 57 HD11 LEU 57 4.454 1.713 -1.721 441 2HD1 LEU 57 HD13 LEU 57 5.969 1.489 -0.847 442 3HD1 LEU 57 HD12 LEU 57 5.937 1.356 -2.606 443 1HD2 LEU 57 HD21 LEU 57 4.342 -1.049 0.305 444 2HD2 LEU 57 HD23 LEU 57 5.961 -1.622 -0.093 445 3HD2 LEU 57 HD22 LEU 57 5.723 0.039 0.449 446 H THR 58 HN THR 58 2.493 -1.478 -4.259 447 HA THR 58 HA THR 58 -0.327 -1.753 -3.943 448 HB THR 58 HB THR 58 0.845 -0.575 -5.793 449 HG1 THR 58 HG1 THR 58 -0.352 -1.910 -7.522 450 1HG2 THR 58 HG23 THR 58 1.882 -3.338 -6.249 451 2HG2 THR 58 HG22 THR 58 1.589 -2.326 -7.663 452 3HG2 THR 58 HG21 THR 58 2.708 -1.789 -6.411 453 H LYS 59 HN LYS 59 2.234 -4.089 -4.369 454 HA LYS 59 HA LYS 59 0.531 -6.247 -5.276 455 1HB LYS 59 HB2 LYS 59 2.809 -6.345 -5.904 456 2HB LYS 59 HB1 LYS 59 3.355 -5.919 -4.283 457 1HG LYS 59 HG2 LYS 59 3.435 -8.085 -3.681 458 2HG LYS 59 HG1 LYS 59 1.762 -8.328 -4.187 459 1HD LYS 59 HD2 LYS 59 2.827 -8.283 -6.611 460 2HD LYS 59 HD1 LYS 59 4.291 -8.743 -5.740 461 1HE LYS 59 HE2 LYS 59 3.448 -10.812 -5.141 462 2HE LYS 59 HE1 LYS 59 1.773 -10.227 -5.085 463 1HZ LYS 59 HZ1 LYS 59 3.156 -10.086 -7.652 464 2HZ LYS 59 HZ3 LYS 59 2.694 -11.630 -7.122 465 3HZ LYS 59 HZ2 LYS 59 1.522 -10.414 -7.318 466 H ALA 60 HN ALA 60 1.635 -4.969 -2.203 467 HA ALA 60 HA ALA 60 0.918 -7.245 -0.600 468 1HB ALA 60 HB3 ALA 60 2.536 -5.404 -0.028 469 2HB ALA 60 HB2 ALA 60 1.158 -4.316 0.132 470 3HB ALA 60 HB1 ALA 60 1.330 -5.687 1.227 471 H THR 61 HN THR 61 -0.650 -4.145 -1.387 472 HA THR 61 HA THR 61 -3.091 -4.716 0.067 473 HB THR 61 HB THR 61 -2.247 -2.448 -0.553 474 HG1 THR 61 HG1 THR 61 -4.267 -1.718 -1.447 475 1HG2 THR 61 HG21 THR 61 -2.862 -3.404 -3.359 476 2HG2 THR 61 HG23 THR 61 -2.495 -1.734 -2.929 477 3HG2 THR 61 HG22 THR 61 -1.274 -2.987 -2.716 478 H ALA 62 HN ALA 62 -1.818 -5.213 -3.102 479 HA ALA 62 HA ALA 62 -4.216 -6.041 -4.455 480 1HB ALA 62 HB3 ALA 62 -1.247 -6.439 -4.802 481 2HB ALA 62 HB2 ALA 62 -2.383 -7.235 -5.890 482 3HB ALA 62 HB1 ALA 62 -2.344 -5.474 -5.788 483 H ASP 63 HN ASP 63 -1.871 -7.643 -2.381 484 HA ASP 63 HA ASP 63 -3.063 -10.309 -2.829 485 1HB ASP 63 HB2 ASP 63 -0.655 -10.116 -2.590 486 2HB ASP 63 HB1 ASP 63 -0.833 -9.213 -1.085 487 H ALA 64 HN ALA 64 -3.572 -7.582 -0.851 488 HA ALA 64 HA ALA 64 -4.565 -8.973 1.521 489 1HB ALA 64 HB3 ALA 64 -3.826 -6.365 0.728 490 2HB ALA 64 HB2 ALA 64 -5.552 -6.272 1.081 491 3HB ALA 64 HB1 ALA 64 -4.430 -6.847 2.313 492 H GLY 65 HN GLY 65 -5.762 -7.871 -1.564 493 1HA GLY 65 HA2 GLY 65 -7.838 -9.332 -2.155 494 2HA GLY 65 HA1 GLY 65 -8.543 -8.555 -0.744 495 H TYR 66 HN TYR 66 -6.436 -6.569 -2.702 496 HA TYR 66 HA TYR 66 -8.812 -5.440 -4.119 497 1HB TYR 66 HB2 TYR 66 -6.792 -3.835 -2.545 498 2HB TYR 66 HB1 TYR 66 -8.286 -3.250 -3.270 499 HD1 TYR 66 HD1 TYR 66 -10.410 -4.759 -2.544 500 HD2 TYR 66 HD2 TYR 66 -6.807 -4.153 -0.311 501 HE1 TYR 66 HE1 TYR 66 -11.632 -5.253 -0.459 502 HE2 TYR 66 HE2 TYR 66 -8.018 -4.621 1.781 503 HH TYR 66 HH TYR 66 -10.749 -6.198 2.012 504 HA PRO 67 HA PRO 67 -5.526 -5.554 -7.268 505 1HB PRO 67 HB2 PRO 67 -7.444 -4.384 -9.070 506 2HB PRO 67 HB1 PRO 67 -6.875 -6.056 -9.042 507 1HG PRO 67 HG2 PRO 67 -9.454 -5.042 -8.246 508 2HG PRO 67 HG1 PRO 67 -8.903 -6.720 -8.280 509 1HD PRO 67 HD2 PRO 67 -9.390 -5.095 -5.966 510 2HD PRO 67 HD1 PRO 67 -8.732 -6.750 -6.004 511 H SER 68 HN SER 68 -4.314 -3.803 -6.338 512 HA SER 68 HA SER 68 -5.447 -1.066 -6.695 513 1HB SER 68 HB2 SER 68 -4.851 -1.101 -4.510 514 2HB SER 68 HB1 SER 68 -3.843 -2.527 -4.729 515 HG SER 68 HG SER 68 -3.120 0.042 -4.519 516 H SER 69 HN SER 69 -3.335 0.536 -6.683 517 HA SER 69 HA SER 69 -1.318 -0.299 -8.680 518 1HB SER 69 HB2 SER 69 -3.720 1.239 -9.197 519 2HB SER 69 HB1 SER 69 -2.294 2.234 -9.483 520 HG SER 69 HG SER 69 -2.331 -0.401 -10.433 521 H VAL 70 HN VAL 70 -0.387 2.358 -9.089 522 HA VAL 70 HA VAL 70 0.165 3.305 -6.325 523 HB VAL 70 HB VAL 70 1.735 1.584 -7.398 524 1HG1 VAL 70 HG11 VAL 70 1.697 3.058 -9.575 525 2HG1 VAL 70 HG13 VAL 70 2.960 3.975 -8.753 526 3HG1 VAL 70 HG12 VAL 70 3.196 2.262 -9.096 527 1HG2 VAL 70 HG22 VAL 70 2.350 4.089 -5.954 528 2HG2 VAL 70 HG21 VAL 70 2.778 2.428 -5.550 529 3HG2 VAL 70 HG23 VAL 70 3.745 3.326 -6.717 530 H LYS 71 HN LYS 71 1.019 5.515 -6.233 531 HA LYS 71 HA LYS 71 0.401 7.061 -8.737 532 1HB LYS 71 HB2 LYS 71 0.198 8.366 -6.069 533 2HB LYS 71 HB1 LYS 71 -0.814 8.579 -7.491 534 1HG LYS 71 HG2 LYS 71 -1.294 5.942 -6.764 535 2HG LYS 71 HG1 LYS 71 -1.169 6.782 -5.217 536 1HD LYS 71 HD2 LYS 71 -2.766 8.007 -7.431 537 2HD LYS 71 HD1 LYS 71 -3.467 6.691 -6.489 538 1HE LYS 71 HE2 LYS 71 -2.889 8.002 -4.392 539 2HE LYS 71 HE1 LYS 71 -2.472 9.365 -5.451 540 1HZ LYS 71 HZ3 LYS 71 -4.685 9.107 -6.493 541 2HZ LYS 71 HZ2 LYS 71 -5.079 7.943 -5.320 542 3HZ LYS 71 HZ1 LYS 71 -4.773 9.549 -4.858 543 H GLN 72 HN GLN 72 2.868 5.940 -7.558 544 HA GLN 72 HA GLN 72 4.690 7.656 -6.403 545 1HB GLN 72 HB2 GLN 72 6.377 6.520 -7.787 546 2HB GLN 72 HB1 GLN 72 5.132 5.372 -7.293 547 1HG GLN 72 HG2 GLN 72 5.144 4.876 -9.534 548 2HG GLN 72 HG1 GLN 72 4.026 6.239 -9.593 549 1HE2 GLN 72 HE22 GLN 72 7.700 6.572 -11.292 550 2HE2 GLN 72 HE21 GLN 72 7.225 5.150 -10.497 No H/Q in entry = 550 Start of MODEL 12 1 1H ALA 1 HT3 ALA 1 17.594 4.317 0.086 2 2H ALA 1 HT2 ALA 1 18.405 3.678 -1.264 3 3H ALA 1 HT1 ALA 1 17.298 4.952 -1.458 4 HA ALA 1 HA ALA 1 15.963 3.218 -2.094 5 1HB ALA 1 HB1 ALA 1 17.958 1.806 -0.395 6 2HB ALA 1 HB3 ALA 1 16.386 1.026 -0.573 7 3HB ALA 1 HB2 ALA 1 17.356 1.391 -2.000 8 H THR 2 HN THR 2 14.732 4.972 -0.778 9 HA THR 2 HA THR 2 13.123 3.667 1.274 10 HB THR 2 HB THR 2 13.609 6.131 2.367 11 HG1 THR 2 HG1 THR 2 16.124 5.112 1.612 12 1HG2 THR 2 HG21 THR 2 13.525 3.931 3.520 13 2HG2 THR 2 HG23 THR 2 15.153 3.593 2.933 14 3HG2 THR 2 HG22 THR 2 14.881 4.920 4.062 15 H GLN 3 HN GLN 3 11.478 3.912 -0.345 16 HA GLN 3 HA GLN 3 10.900 6.730 -1.192 17 1HB GLN 3 HB2 GLN 3 10.723 4.042 -2.374 18 2HB GLN 3 HB1 GLN 3 9.343 5.080 -2.734 19 1HG GLN 3 HG2 GLN 3 11.486 6.794 -3.059 20 2HG GLN 3 HG1 GLN 3 12.114 5.268 -3.680 21 1HE2 GLN 3 HE22 GLN 3 10.238 5.465 -6.645 22 2HE2 GLN 3 HE21 GLN 3 11.517 4.744 -5.793 23 H THR 4 HN THR 4 8.836 7.598 -1.057 24 HA THR 4 HA THR 4 6.863 6.148 0.677 25 HB THR 4 HB THR 4 7.335 9.137 0.413 26 HG1 THR 4 HG1 THR 4 8.468 7.172 2.054 27 1HG2 THR 4 HG22 THR 4 5.641 7.380 2.173 28 2HG2 THR 4 HG21 THR 4 6.166 8.966 2.737 29 3HG2 THR 4 HG23 THR 4 5.178 8.830 1.283 30 H VAL 5 HN VAL 5 4.887 5.846 -0.312 31 HA VAL 5 HA VAL 5 3.987 7.705 -2.484 32 HB VAL 5 HB VAL 5 3.986 4.749 -2.998 33 1HG1 VAL 5 HG12 VAL 5 3.094 6.936 -4.378 34 2HG1 VAL 5 HG11 VAL 5 4.697 6.713 -5.078 35 3HG1 VAL 5 HG13 VAL 5 3.526 5.399 -5.126 36 1HG2 VAL 5 HG23 VAL 5 6.369 6.576 -3.483 37 2HG2 VAL 5 HG22 VAL 5 6.321 5.245 -2.326 38 3HG2 VAL 5 HG21 VAL 5 6.218 4.914 -4.055 39 H THR 6 HN THR 6 1.707 7.164 -3.092 40 HA THR 6 HA THR 6 0.287 5.898 -0.790 41 HB THR 6 HB THR 6 -0.644 8.026 -0.954 42 HG1 THR 6 HG1 THR 6 -2.555 7.338 -1.363 43 1HG2 THR 6 HG23 THR 6 0.120 7.778 -3.836 44 2HG2 THR 6 HG22 THR 6 -1.125 8.939 -3.378 45 3HG2 THR 6 HG21 THR 6 0.495 9.066 -2.692 46 H LEU 7 HN LEU 7 -1.799 4.787 -1.613 47 HA LEU 7 HA LEU 7 -1.209 3.480 -4.238 48 1HB LEU 7 HB2 LEU 7 -1.124 2.426 -1.535 49 2HB LEU 7 HB1 LEU 7 -2.283 1.530 -2.519 50 HG LEU 7 HG LEU 7 -0.637 1.010 -4.156 51 1HD1 LEU 7 HD12 LEU 7 0.970 3.129 -2.779 52 2HD1 LEU 7 HD11 LEU 7 1.760 1.895 -3.758 53 3HD1 LEU 7 HD13 LEU 7 0.580 2.974 -4.486 54 1HD2 LEU 7 HD21 LEU 7 -0.424 -0.017 -1.700 55 2HD2 LEU 7 HD23 LEU 7 0.744 -0.413 -2.959 56 3HD2 LEU 7 HD22 LEU 7 1.130 0.817 -1.758 57 H ALA 8 HN ALA 8 -3.060 2.616 -5.297 58 HA ALA 8 HA ALA 8 -5.626 3.872 -4.393 59 1HB ALA 8 HB2 ALA 8 -4.176 3.888 -6.798 60 2HB ALA 8 HB1 ALA 8 -5.551 2.827 -7.107 61 3HB ALA 8 HB3 ALA 8 -5.819 4.483 -6.563 62 H VAL 9 HN VAL 9 -6.378 2.179 -3.035 63 HA VAL 9 HA VAL 9 -6.822 -0.487 -4.332 64 HB VAL 9 HB VAL 9 -5.523 -0.616 -2.307 65 1HG1 VAL 9 HG11 VAL 9 -7.342 1.562 -1.495 66 2HG1 VAL 9 HG13 VAL 9 -7.001 0.392 -0.221 67 3HG1 VAL 9 HG12 VAL 9 -5.675 1.250 -1.007 68 1HG2 VAL 9 HG22 VAL 9 -8.267 -1.593 -2.370 69 2HG2 VAL 9 HG21 VAL 9 -6.805 -2.403 -1.809 70 3HG2 VAL 9 HG23 VAL 9 -7.702 -1.351 -0.717 71 HA PRO 10 HA PRO 10 -11.044 1.250 -4.209 72 1HB PRO 10 HB2 PRO 10 -11.833 -0.434 -6.314 73 2HB PRO 10 HB1 PRO 10 -11.266 1.231 -6.475 74 1HG PRO 10 HG2 PRO 10 -9.924 -1.222 -7.267 75 2HG PRO 10 HG1 PRO 10 -9.456 0.450 -7.597 76 1HD PRO 10 HD2 PRO 10 -8.288 -1.383 -5.679 77 2HD PRO 10 HD1 PRO 10 -7.785 0.284 -6.054 78 H GLY 11 HN GLY 11 -10.213 -0.816 -2.341 79 1HA GLY 11 HA2 GLY 11 -12.028 -3.094 -2.716 80 2HA GLY 11 HA1 GLY 11 -10.929 -2.847 -1.360 81 H MET 12 HN MET 12 -11.735 -0.264 -0.586 82 HA MET 12 HA MET 12 -13.325 0.788 0.784 83 1HB MET 12 HB2 MET 12 -15.005 -0.726 -1.233 84 2HB MET 12 HB1 MET 12 -15.738 0.294 0.003 85 1HG MET 12 HG2 MET 12 -14.759 2.254 -0.856 86 2HG MET 12 HG1 MET 12 -13.540 1.356 -1.759 87 1HE MET 12 HE3 MET 12 -16.650 2.834 -1.292 88 2HE MET 12 HE2 MET 12 -16.535 3.585 -2.881 89 3HE MET 12 HE1 MET 12 -17.791 2.389 -2.569 90 H THR 13 HN THR 13 -15.376 -2.021 0.267 91 HA THR 13 HA THR 13 -16.278 -3.525 1.841 92 HB THR 13 HB THR 13 -14.281 -4.436 3.327 93 HG1 THR 13 HG1 THR 13 -12.714 -3.437 1.271 94 1HG2 THR 13 HG21 THR 13 -14.579 -4.657 0.334 95 2HG2 THR 13 HG23 THR 13 -13.430 -5.643 1.237 96 3HG2 THR 13 HG22 THR 13 -15.157 -5.772 1.572 97 H CYS 14 HN CYS 14 -15.765 -0.507 2.613 98 HA CYS 14 HA CYS 14 -16.055 0.842 4.529 99 1HB CYS 14 HB2 CYS 14 -18.065 -0.956 4.084 100 2HB CYS 14 HB1 CYS 14 -17.678 -1.274 5.774 101 HG CYS 14 HG CYS 14 -18.082 1.311 6.247 102 H ALA 15 HN ALA 15 -14.175 0.984 5.759 103 HA ALA 15 HA ALA 15 -12.698 0.551 7.553 104 1HB ALA 15 HB2 ALA 15 -15.424 -0.091 8.271 105 2HB ALA 15 HB1 ALA 15 -14.308 -1.138 9.148 106 3HB ALA 15 HB3 ALA 15 -14.155 0.614 9.273 107 H ALA 16 HN ALA 16 -12.727 -1.365 5.263 108 HA ALA 16 HA ALA 16 -11.486 -3.679 6.699 109 1HB ALA 16 HB1 ALA 16 -13.866 -3.578 5.004 110 2HB ALA 16 HB3 ALA 16 -12.666 -4.715 4.388 111 3HB ALA 16 HB2 ALA 16 -13.285 -4.890 6.030 112 H CYS 17 HN CYS 17 -11.991 -2.094 3.540 113 HA CYS 17 HA CYS 17 -9.835 -3.207 2.112 114 1HB CYS 17 HB2 CYS 17 -11.306 -1.944 0.860 115 2HB CYS 17 HB1 CYS 17 -11.442 -0.688 2.079 116 HG CYS 17 HG CYS 17 -9.483 0.514 1.083 117 HA PRO 18 HA PRO 18 -7.025 0.343 3.787 118 1HB PRO 18 HB2 PRO 18 -7.977 1.492 6.155 119 2HB PRO 18 HB1 PRO 18 -8.102 2.193 4.538 120 1HG PRO 18 HG2 PRO 18 -10.204 1.026 6.209 121 2HG PRO 18 HG1 PRO 18 -10.357 2.031 4.766 122 1HD PRO 18 HD2 PRO 18 -10.791 -0.786 4.965 123 2HD PRO 18 HD1 PRO 18 -10.805 0.202 3.486 124 H ILE 19 HN ILE 19 -8.534 -2.067 5.770 125 HA ILE 19 HA ILE 19 -6.380 -1.983 7.814 126 HB ILE 19 HB ILE 19 -8.993 -3.425 7.395 127 1HG1 ILE 19 HG12 ILE 19 -8.383 -2.406 10.043 128 2HG1 ILE 19 HG11 ILE 19 -8.125 -1.161 8.822 129 1HG2 ILE 19 HG23 ILE 19 -7.310 -5.128 8.125 130 2HG2 ILE 19 HG22 ILE 19 -6.947 -4.121 9.526 131 3HG2 ILE 19 HG21 ILE 19 -8.551 -4.830 9.342 132 1HD1 ILE 19 HD13 ILE 19 -10.472 -2.205 7.945 133 2HD1 ILE 19 HD12 ILE 19 -10.642 -2.471 9.680 134 3HD1 ILE 19 HD11 ILE 19 -10.374 -0.842 9.060 135 H THR 20 HN THR 20 -7.620 -4.027 5.230 136 HA THR 20 HA THR 20 -5.676 -6.145 5.564 137 HB THR 20 HB THR 20 -7.781 -5.251 3.619 138 HG1 THR 20 HG1 THR 20 -7.278 -7.479 5.273 139 1HG2 THR 20 HG23 THR 20 -5.835 -7.516 3.152 140 2HG2 THR 20 HG22 THR 20 -7.268 -7.173 2.180 141 3HG2 THR 20 HG21 THR 20 -5.932 -6.022 2.221 142 H VAL 21 HN VAL 21 -6.038 -3.295 3.441 143 HA VAL 21 HA VAL 21 -3.725 -3.826 1.845 144 HB VAL 21 HB VAL 21 -5.359 -1.382 2.555 145 1HG1 VAL 21 HG12 VAL 21 -2.973 -1.612 0.703 146 2HG1 VAL 21 HG11 VAL 21 -4.151 -0.304 0.598 147 3HG1 VAL 21 HG13 VAL 21 -3.180 -0.500 2.056 148 1HG2 VAL 21 HG22 VAL 21 -5.263 -3.400 0.359 149 2HG2 VAL 21 HG21 VAL 21 -6.655 -2.607 1.094 150 3HG2 VAL 21 HG23 VAL 21 -5.671 -1.743 -0.086 151 H LYS 22 HN LYS 22 -4.283 -1.737 4.676 152 HA LYS 22 HA LYS 22 -1.745 -0.645 5.052 153 1HB LYS 22 HB2 LYS 22 -3.504 -0.001 6.492 154 2HB LYS 22 HB1 LYS 22 -3.893 -1.670 6.906 155 1HG LYS 22 HG2 LYS 22 -2.348 -1.738 8.564 156 2HG LYS 22 HG1 LYS 22 -1.136 -0.910 7.585 157 1HD LYS 22 HD2 LYS 22 -3.011 1.072 8.049 158 2HD LYS 22 HD1 LYS 22 -2.987 0.187 9.575 159 1HE LYS 22 HE2 LYS 22 -0.324 0.326 9.126 160 2HE LYS 22 HE1 LYS 22 -0.840 1.812 8.304 161 1HZ LYS 22 HZ2 LYS 22 -2.372 1.816 10.519 162 2HZ LYS 22 HZ1 LYS 22 -0.929 1.146 11.116 163 3HZ LYS 22 HZ3 LYS 22 -0.909 2.667 10.364 164 H LYS 23 HN LYS 23 -2.886 -3.860 6.159 165 HA LYS 23 HA LYS 23 -0.324 -4.583 7.304 166 1HB LYS 23 HB2 LYS 23 -2.810 -6.115 6.520 167 2HB LYS 23 HB1 LYS 23 -1.468 -6.835 7.409 168 1HG LYS 23 HG2 LYS 23 -1.764 -5.260 9.238 169 2HG LYS 23 HG1 LYS 23 -2.994 -4.381 8.329 170 1HD LYS 23 HD2 LYS 23 -4.605 -5.818 8.976 171 2HD LYS 23 HD1 LYS 23 -3.639 -7.208 8.477 172 1HE LYS 23 HE2 LYS 23 -2.785 -7.542 10.595 173 2HE LYS 23 HE1 LYS 23 -2.807 -5.811 10.986 174 1HZ LYS 23 HZ3 LYS 23 -5.288 -7.375 10.559 175 2HZ LYS 23 HZ2 LYS 23 -4.577 -7.210 12.093 176 3HZ LYS 23 HZ1 LYS 23 -5.129 -5.838 11.258 177 H ALA 24 HN ALA 24 -1.669 -4.835 4.106 178 HA ALA 24 HA ALA 24 -0.043 -6.973 3.129 179 1HB ALA 24 HB2 ALA 24 -2.121 -5.297 2.258 180 2HB ALA 24 HB1 ALA 24 -0.785 -4.989 1.148 181 3HB ALA 24 HB3 ALA 24 -1.400 -6.629 1.355 182 H LEU 25 HN LEU 25 0.248 -3.429 2.821 183 HA LEU 25 HA LEU 25 2.801 -3.504 1.486 184 1HB LEU 25 HB2 LEU 25 1.333 -1.389 3.086 185 2HB LEU 25 HB1 LEU 25 2.691 -1.080 2.000 186 HG LEU 25 HG LEU 25 1.105 -2.539 0.369 187 1HD1 LEU 25 HD11 LEU 25 -0.607 -1.422 2.497 188 2HD1 LEU 25 HD13 LEU 25 -1.161 -1.158 0.844 189 3HD1 LEU 25 HD12 LEU 25 -0.879 -2.798 1.427 190 1HD2 LEU 25 HD21 LEU 25 1.721 0.266 0.828 191 2HD2 LEU 25 HD23 LEU 25 1.601 -0.621 -0.688 192 3HD2 LEU 25 HD22 LEU 25 0.152 0.058 0.051 193 H SER 26 HN SER 26 1.783 -3.269 4.862 194 HA SER 26 HA SER 26 4.390 -2.620 5.942 195 1HB SER 26 HB2 SER 26 2.813 -2.253 7.560 196 2HB SER 26 HB1 SER 26 1.691 -3.408 6.849 197 HG SER 26 HG SER 26 3.532 -3.723 8.856 198 H LYS 27 HN LYS 27 2.880 -5.537 4.756 199 HA LYS 27 HA LYS 27 5.131 -7.122 5.893 200 1HB LYS 27 HB2 LYS 27 3.614 -9.024 5.735 201 2HB LYS 27 HB1 LYS 27 2.776 -7.702 6.547 202 1HG LYS 27 HG2 LYS 27 1.196 -8.423 4.967 203 2HG LYS 27 HG1 LYS 27 1.967 -7.061 4.158 204 1HD LYS 27 HD2 LYS 27 2.730 -8.379 2.510 205 2HD LYS 27 HD1 LYS 27 3.450 -9.494 3.673 206 1HE LYS 27 HE2 LYS 27 1.421 -10.748 3.881 207 2HE LYS 27 HE1 LYS 27 0.484 -9.498 3.038 208 1HZ LYS 27 HZ2 LYS 27 2.839 -10.613 1.699 209 2HZ LYS 27 HZ1 LYS 27 1.434 -11.566 1.748 210 3HZ LYS 27 HZ3 LYS 27 1.391 -10.031 1.028 211 H VAL 28 HN VAL 28 4.357 -5.546 3.132 212 HA VAL 28 HA VAL 28 4.524 -7.374 1.000 213 HB VAL 28 HB VAL 28 4.074 -4.944 0.842 214 1HG1 VAL 28 HG11 VAL 28 5.996 -4.428 2.509 215 2HG1 VAL 28 HG13 VAL 28 7.039 -4.476 1.088 216 3HG1 VAL 28 HG12 VAL 28 5.726 -3.303 1.179 217 1HG2 VAL 28 HG22 VAL 28 6.351 -6.101 -0.769 218 2HG2 VAL 28 HG21 VAL 28 4.658 -5.928 -1.235 219 3HG2 VAL 28 HG23 VAL 28 5.691 -4.503 -1.118 220 H GLU 29 HN GLU 29 7.267 -5.772 2.692 221 HA GLU 29 HA GLU 29 8.982 -8.000 2.723 222 1HB GLU 29 HB2 GLU 29 8.604 -6.739 0.114 223 2HB GLU 29 HB1 GLU 29 10.303 -6.799 0.588 224 1HG GLU 29 HG2 GLU 29 8.905 -9.273 1.227 225 2HG GLU 29 HG1 GLU 29 8.834 -8.900 -0.495 226 H GLY 30 HN GLY 30 9.979 -4.946 1.232 227 1HA GLY 30 HA2 GLY 30 11.753 -4.464 3.547 228 2HA GLY 30 HA1 GLY 30 11.825 -3.625 1.999 229 H VAL 31 HN VAL 31 8.617 -3.750 2.998 230 HA VAL 31 HA VAL 31 8.257 -0.973 3.273 231 HB VAL 31 HB VAL 31 6.467 -2.684 3.049 232 1HG1 VAL 31 HG12 VAL 31 7.776 -3.924 5.145 233 2HG1 VAL 31 HG11 VAL 31 6.350 -3.245 5.930 234 3HG1 VAL 31 HG13 VAL 31 6.165 -4.346 4.565 235 1HG2 VAL 31 HG22 VAL 31 6.066 -0.355 3.982 236 2HG2 VAL 31 HG21 VAL 31 4.865 -1.555 4.459 237 3HG2 VAL 31 HG23 VAL 31 6.125 -1.071 5.593 238 H SER 32 HN SER 32 8.370 0.434 4.891 239 HA SER 32 HA SER 32 9.468 -0.497 7.513 240 1HB SER 32 HB2 SER 32 10.113 1.973 5.872 241 2HB SER 32 HB1 SER 32 10.762 1.645 7.477 242 HG SER 32 HG SER 32 12.130 0.316 6.603 243 H LYS 33 HN LYS 33 6.972 1.131 5.876 244 HA LYS 33 HA LYS 33 5.678 1.844 8.409 245 1HB LYS 33 HB2 LYS 33 7.051 3.719 8.502 246 2HB LYS 33 HB1 LYS 33 7.170 3.846 6.749 247 1HG LYS 33 HG2 LYS 33 5.280 5.112 6.584 248 2HG LYS 33 HG1 LYS 33 4.447 4.213 7.854 249 1HD LYS 33 HD2 LYS 33 5.074 5.689 9.447 250 2HD LYS 33 HD1 LYS 33 6.739 5.726 8.865 251 1HE LYS 33 HE2 LYS 33 6.380 7.593 7.590 252 2HE LYS 33 HE1 LYS 33 4.759 7.060 7.101 253 1HZ LYS 33 HZ2 LYS 33 5.288 7.757 9.913 254 2HZ LYS 33 HZ1 LYS 33 4.990 8.996 8.789 255 3HZ LYS 33 HZ3 LYS 33 3.821 7.797 9.056 256 H VAL 34 HN VAL 34 3.450 1.998 8.075 257 HA VAL 34 HA VAL 34 2.500 2.295 5.240 258 HB VAL 34 HB VAL 34 1.298 0.484 7.345 259 1HG1 VAL 34 HG12 VAL 34 0.669 1.226 4.619 260 2HG1 VAL 34 HG11 VAL 34 0.971 -0.509 4.728 261 3HG1 VAL 34 HG13 VAL 34 -0.261 0.238 5.745 262 1HG2 VAL 34 HG22 VAL 34 3.617 0.044 5.485 263 2HG2 VAL 34 HG21 VAL 34 3.410 -0.493 7.152 264 3HG2 VAL 34 HG23 VAL 34 2.536 -1.302 5.850 265 H ASP 35 HN ASP 35 0.123 2.939 5.162 266 HA ASP 35 HA ASP 35 -0.989 4.166 7.610 267 1HB ASP 35 HB2 ASP 35 0.770 5.653 6.231 268 2HB ASP 35 HB1 ASP 35 -0.672 5.996 5.275 269 H VAL 36 HN VAL 36 -3.214 5.018 7.179 270 HA VAL 36 HA VAL 36 -4.455 3.638 4.824 271 HB VAL 36 HB VAL 36 -5.268 4.138 7.679 272 1HG1 VAL 36 HG12 VAL 36 -7.093 3.750 5.300 273 2HG1 VAL 36 HG11 VAL 36 -7.575 3.266 6.927 274 3HG1 VAL 36 HG13 VAL 36 -7.211 4.957 6.581 275 1HG2 VAL 36 HG22 VAL 36 -4.366 1.943 6.168 276 2HG2 VAL 36 HG21 VAL 36 -5.024 1.901 7.805 277 3HG2 VAL 36 HG23 VAL 36 -6.089 1.659 6.420 278 H GLY 37 HN GLY 37 -5.327 4.978 3.317 279 1HA GLY 37 HA2 GLY 37 -6.160 7.719 4.173 280 2HA GLY 37 HA1 GLY 37 -5.325 7.440 2.645 281 H PHE 38 HN PHE 38 -8.227 6.333 4.422 282 HA PHE 38 HA PHE 38 -9.577 5.271 2.139 283 1HB PHE 38 HB2 PHE 38 -9.947 5.423 4.865 284 2HB PHE 38 HB1 PHE 38 -11.241 6.457 4.256 285 HD1 PHE 38 HD1 PHE 38 -9.680 3.462 2.660 286 HD2 PHE 38 HD2 PHE 38 -13.194 5.143 4.469 287 HE1 PHE 38 HE1 PHE 38 -10.978 1.453 2.003 288 HE2 PHE 38 HE2 PHE 38 -14.491 3.135 3.812 289 HZ PHE 38 HZ PHE 38 -13.388 1.290 2.586 290 H GLU 39 HN GLU 39 -8.884 8.518 2.968 291 HA GLU 39 HA GLU 39 -11.061 10.058 2.200 292 1HB GLU 39 HB2 GLU 39 -8.186 10.247 2.291 293 2HB GLU 39 HB1 GLU 39 -8.768 11.069 0.843 294 1HG GLU 39 HG2 GLU 39 -9.040 12.803 2.321 295 2HG GLU 39 HG1 GLU 39 -10.577 11.990 2.614 296 H LYS 40 HN LYS 40 -8.999 8.043 0.201 297 HA LYS 40 HA LYS 40 -10.939 8.246 -2.033 298 1HB LYS 40 HB2 LYS 40 -9.192 10.013 -2.323 299 2HB LYS 40 HB1 LYS 40 -7.957 8.755 -2.296 300 1HG LYS 40 HG2 LYS 40 -8.302 8.305 -4.473 301 2HG LYS 40 HG1 LYS 40 -10.021 8.040 -4.178 302 1HD LYS 40 HD2 LYS 40 -10.558 10.309 -4.558 303 2HD LYS 40 HD1 LYS 40 -8.884 10.829 -4.361 304 1HE LYS 40 HE2 LYS 40 -8.783 10.771 -6.639 305 2HE LYS 40 HE1 LYS 40 -8.745 9.005 -6.465 306 1HZ LYS 40 HZ2 LYS 40 -11.312 10.437 -6.314 307 2HZ LYS 40 HZ1 LYS 40 -10.637 10.096 -7.836 308 3HZ LYS 40 HZ3 LYS 40 -11.006 8.829 -6.772 309 H ARG 41 HN ARG 41 -10.579 6.084 -0.305 310 HA ARG 41 HA ARG 41 -9.915 3.812 -0.213 311 1HB ARG 41 HB2 ARG 41 -11.195 4.602 -2.635 312 2HB ARG 41 HB1 ARG 41 -9.989 3.381 -3.043 313 1HG ARG 41 HG2 ARG 41 -12.149 2.338 -2.474 314 2HG ARG 41 HG1 ARG 41 -10.901 1.890 -1.312 315 1HD ARG 41 HD2 ARG 41 -12.953 2.489 -0.102 316 2HD ARG 41 HD1 ARG 41 -11.726 3.736 0.193 317 HE ARG 41 HE ARG 41 -13.054 4.572 -2.116 318 1HH1 ARG 41 HH21 ARG 41 -13.903 3.730 1.126 319 2HH1 ARG 41 HH22 ARG 41 -15.256 4.810 1.188 320 1HH2 ARG 41 HH11 ARG 41 -14.811 5.984 -2.046 321 2HH2 ARG 41 HH12 ARG 41 -15.770 6.086 -0.607 322 H GLU 42 HN GLU 42 -7.612 5.102 0.108 323 HA GLU 42 HA GLU 42 -5.735 3.697 -1.753 324 1HB GLU 42 HB2 GLU 42 -4.367 5.873 -1.579 325 2HB GLU 42 HB1 GLU 42 -5.829 5.942 -2.563 326 1HG GLU 42 HG2 GLU 42 -7.066 6.831 -0.583 327 2HG GLU 42 HG1 GLU 42 -5.544 6.874 0.307 328 H ALA 43 HN ALA 43 -3.447 3.694 -0.763 329 HA ALA 43 HA ALA 43 -3.539 3.791 2.231 330 1HB ALA 43 HB3 ALA 43 -3.650 1.476 0.690 331 2HB ALA 43 HB2 ALA 43 -1.933 1.611 1.068 332 3HB ALA 43 HB1 ALA 43 -3.121 1.547 2.370 333 H VAL 44 HN VAL 44 -1.670 4.789 3.045 334 HA VAL 44 HA VAL 44 0.384 5.480 0.999 335 HB VAL 44 HB VAL 44 -1.094 6.902 2.998 336 1HG1 VAL 44 HG13 VAL 44 0.937 6.398 4.425 337 2HG1 VAL 44 HG12 VAL 44 1.904 7.274 3.243 338 3HG1 VAL 44 HG11 VAL 44 0.650 8.116 4.153 339 1HG2 VAL 44 HG22 VAL 44 0.247 7.322 0.530 340 2HG2 VAL 44 HG21 VAL 44 -0.875 8.408 1.351 341 3HG2 VAL 44 HG23 VAL 44 0.856 8.524 1.666 342 H VAL 45 HN VAL 45 2.250 4.447 1.108 343 HA VAL 45 HA VAL 45 3.064 3.258 3.725 344 HB VAL 45 HB VAL 45 2.208 1.973 1.518 345 1HG1 VAL 45 HG11 VAL 45 4.324 3.054 0.360 346 2HG1 VAL 45 HG13 VAL 45 5.166 1.708 1.129 347 3HG1 VAL 45 HG12 VAL 45 3.855 1.394 -0.008 348 1HG2 VAL 45 HG21 VAL 45 4.095 1.279 3.698 349 2HG2 VAL 45 HG23 VAL 45 2.567 0.525 3.249 350 3HG2 VAL 45 HG22 VAL 45 4.036 0.156 2.344 351 H THR 46 HN THR 46 5.438 2.529 3.438 352 HA THR 46 HA THR 46 7.226 4.396 2.042 353 HB THR 46 HB THR 46 6.715 4.259 5.014 354 HG1 THR 46 HG1 THR 46 5.928 5.989 3.742 355 1HG2 THR 46 HG21 THR 46 9.356 4.491 3.660 356 2HG2 THR 46 HG23 THR 46 9.043 5.604 4.992 357 3HG2 THR 46 HG22 THR 46 8.964 3.863 5.261 358 H PHE 47 HN PHE 47 9.348 3.274 1.840 359 HA PHE 47 HA PHE 47 9.700 0.760 3.312 360 1HB PHE 47 HB2 PHE 47 9.418 -0.658 1.309 361 2HB PHE 47 HB1 PHE 47 7.936 0.237 1.659 362 HD1 PHE 47 HD2 PHE 47 11.036 0.291 -0.455 363 HD2 PHE 47 HD1 PHE 47 7.034 1.776 0.103 364 HE1 PHE 47 HE2 PHE 47 11.120 1.358 -2.681 365 HE2 PHE 47 HE1 PHE 47 7.124 2.842 -2.133 366 HZ PHE 47 HZ PHE 47 9.163 2.634 -3.523 367 H ASP 48 HN ASP 48 11.412 -0.602 1.977 368 HA ASP 48 HA ASP 48 13.626 1.298 1.343 369 1HB ASP 48 HB2 ASP 48 13.428 -0.795 3.127 370 2HB ASP 48 HB1 ASP 48 14.203 -1.566 1.744 371 H ASP 49 HN ASP 49 13.717 1.575 -0.840 372 HA ASP 49 HA ASP 49 12.591 -0.115 -2.799 373 1HB ASP 49 HB2 ASP 49 13.181 2.166 -3.260 374 2HB ASP 49 HB1 ASP 49 14.868 1.880 -2.829 375 H THR 50 HN THR 50 15.441 -0.589 -0.944 376 HA THR 50 HA THR 50 17.054 -2.069 -2.799 377 HB THR 50 HB THR 50 17.783 -1.105 -0.624 378 HG1 THR 50 HG1 THR 50 19.200 -2.666 -0.351 379 1HG2 THR 50 HG21 THR 50 15.668 -1.716 0.584 380 2HG2 THR 50 HG23 THR 50 16.223 -3.391 0.604 381 3HG2 THR 50 HG22 THR 50 17.136 -2.149 1.461 382 H LYS 51 HN LYS 51 14.387 -3.017 -0.648 383 HA LYS 51 HA LYS 51 14.483 -5.748 -1.892 384 1HB LYS 51 HB2 LYS 51 14.249 -4.769 0.918 385 2HB LYS 51 HB1 LYS 51 13.324 -6.208 0.487 386 1HG LYS 51 HG2 LYS 51 16.141 -6.137 -0.452 387 2HG LYS 51 HG1 LYS 51 15.905 -6.317 1.287 388 1HD LYS 51 HD2 LYS 51 15.425 -8.491 0.973 389 2HD LYS 51 HD1 LYS 51 14.020 -8.020 0.015 390 1HE LYS 51 HE2 LYS 51 15.311 -9.372 -1.464 391 2HE LYS 51 HE1 LYS 51 15.726 -7.711 -1.934 392 1HZ LYS 51 HZ2 LYS 51 17.529 -7.870 -0.190 393 2HZ LYS 51 HZ1 LYS 51 17.251 -9.546 -0.179 394 3HZ LYS 51 HZ3 LYS 51 17.775 -8.785 -1.601 395 H ALA 52 HN ALA 52 12.775 -2.938 -1.856 396 HA ALA 52 HA ALA 52 10.267 -4.323 -2.627 397 1HB ALA 52 HB1 ALA 52 10.706 -3.322 -0.058 398 2HB ALA 52 HB3 ALA 52 9.763 -2.061 -0.851 399 3HB ALA 52 HB2 ALA 52 9.137 -3.708 -0.764 400 H SER 53 HN SER 53 8.617 -2.200 -2.974 401 HA SER 53 HA SER 53 9.625 0.250 -3.958 402 1HB SER 53 HB2 SER 53 9.538 -0.531 -6.474 403 2HB SER 53 HB1 SER 53 10.994 -0.826 -5.527 404 HG SER 53 HG SER 53 10.089 -2.667 -6.727 405 H VAL 54 HN VAL 54 7.974 1.326 -5.439 406 HA VAL 54 HA VAL 54 5.340 1.124 -4.620 407 HB VAL 54 HB VAL 54 6.692 1.920 -7.183 408 1HG1 VAL 54 HG12 VAL 54 3.704 1.748 -6.710 409 2HG1 VAL 54 HG11 VAL 54 4.417 2.813 -7.922 410 3HG1 VAL 54 HG13 VAL 54 4.623 1.066 -8.051 411 1HG2 VAL 54 HG21 VAL 54 5.361 3.207 -4.834 412 2HG2 VAL 54 HG23 VAL 54 6.877 3.628 -5.630 413 3HG2 VAL 54 HG22 VAL 54 5.338 4.067 -6.374 414 H GLN 55 HN GLN 55 6.932 -0.829 -7.137 415 HA GLN 55 HA GLN 55 4.640 -2.176 -8.142 416 1HB GLN 55 HB2 GLN 55 6.983 -2.192 -9.044 417 2HB GLN 55 HB1 GLN 55 7.450 -3.238 -7.702 418 1HG GLN 55 HG2 GLN 55 5.233 -4.532 -8.691 419 2HG GLN 55 HG1 GLN 55 5.976 -3.897 -10.159 420 1HE2 GLN 55 HE22 GLN 55 7.861 -6.840 -8.044 421 2HE2 GLN 55 HE21 GLN 55 6.492 -6.069 -7.402 422 H LYS 56 HN LYS 56 6.827 -3.044 -5.455 423 HA LYS 56 HA LYS 56 5.373 -5.421 -4.699 424 1HB LYS 56 HB2 LYS 56 7.425 -3.624 -3.384 425 2HB LYS 56 HB1 LYS 56 6.818 -5.085 -2.603 426 1HG LYS 56 HG2 LYS 56 7.963 -5.117 -5.400 427 2HG LYS 56 HG1 LYS 56 8.969 -5.346 -3.970 428 1HD LYS 56 HD2 LYS 56 6.540 -6.987 -3.933 429 2HD LYS 56 HD1 LYS 56 7.599 -7.352 -5.296 430 1HE LYS 56 HE2 LYS 56 9.525 -7.443 -3.609 431 2HE LYS 56 HE1 LYS 56 8.278 -7.445 -2.345 432 1HZ LYS 56 HZ2 LYS 56 7.197 -9.257 -3.771 433 2HZ LYS 56 HZ1 LYS 56 8.725 -9.418 -4.497 434 3HZ LYS 56 HZ3 LYS 56 8.545 -9.688 -2.832 435 H LEU 57 HN LEU 57 4.998 -2.003 -3.892 436 HA LEU 57 HA LEU 57 3.423 -2.426 -1.492 437 1HB LEU 57 HB2 LEU 57 3.389 -0.128 -3.472 438 2HB LEU 57 HB1 LEU 57 2.912 -0.061 -1.781 439 HG LEU 57 HG LEU 57 5.706 -0.602 -2.820 440 1HD1 LEU 57 HD11 LEU 57 4.177 1.776 -2.188 441 2HD1 LEU 57 HD13 LEU 57 5.592 1.647 -1.144 442 3HD1 LEU 57 HD12 LEU 57 5.786 1.645 -2.896 443 1HD2 LEU 57 HD23 LEU 57 4.439 -0.848 -0.126 444 2HD2 LEU 57 HD22 LEU 57 5.839 -1.693 -0.786 445 3HD2 LEU 57 HD21 LEU 57 6.009 -0.046 -0.182 446 H THR 58 HN THR 58 2.507 -1.400 -4.798 447 HA THR 58 HA THR 58 -0.294 -1.733 -4.546 448 HB THR 58 HB THR 58 1.557 -2.132 -6.927 449 HG1 THR 58 HG1 THR 58 0.973 0.008 -5.479 450 1HG2 THR 58 HG22 THR 58 -0.733 -3.021 -7.280 451 2HG2 THR 58 HG21 THR 58 -1.393 -1.447 -6.838 452 3HG2 THR 58 HG23 THR 58 -0.405 -1.614 -8.291 453 H LYS 59 HN LYS 59 2.297 -4.074 -5.123 454 HA LYS 59 HA LYS 59 0.549 -6.244 -5.864 455 1HB LYS 59 HB2 LYS 59 2.966 -5.970 -6.483 456 2HB LYS 59 HB1 LYS 59 3.383 -6.248 -4.791 457 1HG LYS 59 HG2 LYS 59 3.605 -8.380 -5.758 458 2HG LYS 59 HG1 LYS 59 1.999 -8.427 -5.032 459 1HD LYS 59 HD2 LYS 59 1.602 -7.346 -7.593 460 2HD LYS 59 HD1 LYS 59 2.747 -8.667 -7.828 461 1HE LYS 59 HE2 LYS 59 0.223 -9.013 -6.183 462 2HE LYS 59 HE1 LYS 59 0.275 -9.332 -7.929 463 1HZ LYS 59 HZ1 LYS 59 2.421 -10.416 -6.254 464 2HZ LYS 59 HZ3 LYS 59 0.914 -11.192 -6.204 465 3HZ LYS 59 HZ2 LYS 59 1.742 -11.043 -7.680 466 H ALA 60 HN ALA 60 1.830 -4.946 -2.880 467 HA ALA 60 HA ALA 60 1.261 -7.203 -1.205 468 1HB ALA 60 HB2 ALA 60 2.612 -4.835 -0.996 469 2HB ALA 60 HB1 ALA 60 1.156 -4.472 -0.071 470 3HB ALA 60 HB3 ALA 60 2.178 -5.834 0.390 471 H THR 61 HN THR 61 -0.447 -4.108 -1.765 472 HA THR 61 HA THR 61 -2.789 -4.832 -0.243 473 HB THR 61 HB THR 61 -2.016 -2.512 -0.895 474 HG1 THR 61 HG1 THR 61 -4.533 -2.841 -2.046 475 1HG2 THR 61 HG22 THR 61 -1.352 -3.087 -3.206 476 2HG2 THR 61 HG21 THR 61 -3.043 -3.373 -3.615 477 3HG2 THR 61 HG23 THR 61 -2.502 -1.750 -3.186 478 H ALA 62 HN ALA 62 -1.652 -5.253 -3.472 479 HA ALA 62 HA ALA 62 -4.119 -6.082 -4.709 480 1HB ALA 62 HB1 ALA 62 -1.181 -6.260 -5.253 481 2HB ALA 62 HB3 ALA 62 -2.268 -7.243 -6.230 482 3HB ALA 62 HB2 ALA 62 -2.442 -5.488 -6.213 483 H ASP 63 HN ASP 63 -1.629 -7.696 -2.822 484 HA ASP 63 HA ASP 63 -2.735 -10.382 -3.326 485 1HB ASP 63 HB2 ASP 63 -0.328 -10.078 -3.099 486 2HB ASP 63 HB1 ASP 63 -0.542 -9.258 -1.551 487 H ALA 64 HN ALA 64 -3.302 -7.742 -1.244 488 HA ALA 64 HA ALA 64 -4.217 -9.244 1.085 489 1HB ALA 64 HB2 ALA 64 -3.463 -6.657 0.504 490 2HB ALA 64 HB1 ALA 64 -5.219 -6.509 0.571 491 3HB ALA 64 HB3 ALA 64 -4.333 -7.129 1.964 492 H GLY 65 HN GLY 65 -5.556 -7.904 -1.880 493 1HA GLY 65 HA2 GLY 65 -7.553 -9.441 -2.582 494 2HA GLY 65 HA1 GLY 65 -8.264 -8.846 -1.086 495 H TYR 66 HN TYR 66 -6.290 -6.811 -3.213 496 HA TYR 66 HA TYR 66 -8.742 -5.531 -4.304 497 1HB TYR 66 HB2 TYR 66 -6.669 -4.033 -2.692 498 2HB TYR 66 HB1 TYR 66 -8.173 -3.388 -3.338 499 HD1 TYR 66 HD1 TYR 66 -10.344 -4.636 -2.574 500 HD2 TYR 66 HD2 TYR 66 -6.579 -4.748 -0.538 501 HE1 TYR 66 HE1 TYR 66 -11.509 -5.199 -0.466 502 HE2 TYR 66 HE2 TYR 66 -7.730 -5.303 1.564 503 HH TYR 66 HH TYR 66 -10.726 -6.492 1.778 504 HA PRO 67 HA PRO 67 -5.570 -5.299 -7.563 505 1HB PRO 67 HB2 PRO 67 -7.576 -4.157 -9.264 506 2HB PRO 67 HB1 PRO 67 -6.968 -5.815 -9.295 507 1HG PRO 67 HG2 PRO 67 -9.545 -4.873 -8.394 508 2HG PRO 67 HG1 PRO 67 -8.971 -6.538 -8.524 509 1HD PRO 67 HD2 PRO 67 -9.406 -5.025 -6.122 510 2HD PRO 67 HD1 PRO 67 -8.737 -6.670 -6.258 511 H SER 68 HN SER 68 -4.456 -3.515 -6.505 512 HA SER 68 HA SER 68 -5.729 -0.832 -6.798 513 1HB SER 68 HB2 SER 68 -4.999 -0.565 -4.682 514 2HB SER 68 HB1 SER 68 -4.459 -2.238 -4.715 515 HG SER 68 HG SER 68 -2.453 -1.586 -5.261 516 H SER 69 HN SER 69 -3.553 0.767 -6.508 517 HA SER 69 HA SER 69 -1.530 0.175 -8.578 518 1HB SER 69 HB2 SER 69 -3.520 2.465 -8.716 519 2HB SER 69 HB1 SER 69 -2.181 2.213 -9.831 520 HG SER 69 HG SER 69 -3.409 0.864 -10.861 521 H VAL 70 HN VAL 70 -0.640 2.880 -8.740 522 HA VAL 70 HA VAL 70 -0.168 3.591 -5.898 523 HB VAL 70 HB VAL 70 1.472 2.008 -7.094 524 1HG1 VAL 70 HG11 VAL 70 1.428 3.914 -9.037 525 2HG1 VAL 70 HG13 VAL 70 2.861 4.411 -8.136 526 3HG1 VAL 70 HG12 VAL 70 2.764 2.784 -8.812 527 1HG2 VAL 70 HG22 VAL 70 1.899 4.259 -5.296 528 2HG2 VAL 70 HG21 VAL 70 2.601 2.643 -5.240 529 3HG2 VAL 70 HG23 VAL 70 3.357 3.898 -6.220 530 H LYS 71 HN LYS 71 0.427 5.819 -5.577 531 HA LYS 71 HA LYS 71 -0.005 7.515 -8.014 532 1HB LYS 71 HB2 LYS 71 -1.792 7.256 -6.067 533 2HB LYS 71 HB1 LYS 71 -0.770 8.487 -5.310 534 1HG LYS 71 HG2 LYS 71 -1.449 10.066 -6.743 535 2HG LYS 71 HG1 LYS 71 -1.176 9.008 -8.129 536 1HD LYS 71 HD2 LYS 71 -3.335 8.203 -8.129 537 2HD LYS 71 HD1 LYS 71 -3.527 8.414 -6.389 538 1HE LYS 71 HE2 LYS 71 -4.901 10.127 -7.267 539 2HE LYS 71 HE1 LYS 71 -3.377 10.985 -6.963 540 1HZ LYS 71 HZ3 LYS 71 -3.494 9.573 -9.485 541 2HZ LYS 71 HZ2 LYS 71 -4.582 10.873 -9.364 542 3HZ LYS 71 HZ1 LYS 71 -2.918 11.131 -9.143 543 H GLN 72 HN GLN 72 2.467 6.821 -7.351 544 HA GLN 72 HA GLN 72 3.975 8.362 -5.523 545 1HB GLN 72 HB2 GLN 72 5.835 7.734 -6.926 546 2HB GLN 72 HB1 GLN 72 4.662 6.419 -7.024 547 1HG GLN 72 HG2 GLN 72 5.053 6.726 -9.276 548 2HG GLN 72 HG1 GLN 72 3.743 7.886 -9.055 549 1HE2 GLN 72 HE22 GLN 72 6.107 10.066 -10.661 550 2HE2 GLN 72 HE21 GLN 72 4.799 9.028 -10.969 No H/Q in entry = 550 Start of MODEL 13 1 1H ALA 1 HT2 ALA 1 17.170 1.407 -0.222 2 2H ALA 1 HT1 ALA 1 18.381 2.375 -0.917 3 3H ALA 1 HT3 ALA 1 18.164 2.369 0.765 4 HA ALA 1 HA ALA 1 17.198 4.380 -0.087 5 1HB ALA 1 HB1 ALA 1 16.779 2.644 -2.267 6 2HB ALA 1 HB3 ALA 1 15.165 3.112 -1.729 7 3HB ALA 1 HB2 ALA 1 16.338 4.350 -2.179 8 H THR 2 HN THR 2 15.153 5.167 0.759 9 HA THR 2 HA THR 2 13.256 3.277 1.942 10 HB THR 2 HB THR 2 13.817 5.096 3.968 11 HG1 THR 2 HG1 THR 2 16.264 4.051 3.030 12 1HG2 THR 2 HG21 THR 2 14.133 2.242 3.433 13 2HG2 THR 2 HG23 THR 2 15.290 2.848 4.619 14 3HG2 THR 2 HG22 THR 2 13.559 3.053 4.891 15 H GLN 3 HN GLN 3 11.810 4.313 0.444 16 HA GLN 3 HA GLN 3 11.253 7.209 1.043 17 1HB GLN 3 HB2 GLN 3 11.157 5.628 -1.539 18 2HB GLN 3 HB1 GLN 3 10.561 7.281 -1.387 19 1HG GLN 3 HG2 GLN 3 13.245 6.956 -0.271 20 2HG GLN 3 HG1 GLN 3 13.175 6.552 -1.986 21 1HE2 GLN 3 HE22 GLN 3 12.967 9.922 -2.968 22 2HE2 GLN 3 HE21 GLN 3 13.277 8.310 -3.401 23 H THR 4 HN THR 4 8.977 7.849 0.328 24 HA THR 4 HA THR 4 7.038 5.745 1.208 25 HB THR 4 HB THR 4 6.832 8.773 1.219 26 HG1 THR 4 HG1 THR 4 7.267 8.521 3.447 27 1HG2 THR 4 HG23 THR 4 4.993 6.583 1.821 28 2HG2 THR 4 HG22 THR 4 5.175 7.704 3.169 29 3HG2 THR 4 HG21 THR 4 4.656 8.299 1.592 30 H VAL 5 HN VAL 5 4.983 5.662 0.076 31 HA VAL 5 HA VAL 5 4.687 7.165 -2.473 32 HB VAL 5 HB VAL 5 4.504 4.173 -2.553 33 1HG1 VAL 5 HG11 VAL 5 3.947 6.019 -4.386 34 2HG1 VAL 5 HG13 VAL 5 5.681 5.906 -4.679 35 3HG1 VAL 5 HG12 VAL 5 4.667 4.473 -4.835 36 1HG2 VAL 5 HG22 VAL 5 7.081 5.766 -2.772 37 2HG2 VAL 5 HG21 VAL 5 6.714 4.541 -1.558 38 3HG2 VAL 5 HG23 VAL 5 6.904 4.077 -3.249 39 H THR 6 HN THR 6 2.512 6.783 -3.353 40 HA THR 6 HA THR 6 0.591 5.993 -1.218 41 HB THR 6 HB THR 6 -0.845 7.364 -3.036 42 HG1 THR 6 HG1 THR 6 0.547 9.004 -3.871 43 1HG2 THR 6 HG21 THR 6 0.351 7.895 -0.559 44 2HG2 THR 6 HG23 THR 6 0.760 9.277 -1.575 45 3HG2 THR 6 HG22 THR 6 -0.929 8.831 -1.333 46 H LEU 7 HN LEU 7 -1.341 4.775 -2.067 47 HA LEU 7 HA LEU 7 -0.706 3.318 -4.595 48 1HB LEU 7 HB2 LEU 7 -0.798 2.421 -1.836 49 2HB LEU 7 HB1 LEU 7 -1.974 1.540 -2.814 50 HG LEU 7 HG LEU 7 -0.298 0.842 -4.361 51 1HD1 LEU 7 HD12 LEU 7 1.384 2.921 -3.005 52 2HD1 LEU 7 HD11 LEU 7 2.134 1.596 -3.894 53 3HD1 LEU 7 HD13 LEU 7 1.052 2.711 -4.720 54 1HD2 LEU 7 HD21 LEU 7 0.814 0.688 -1.540 55 2HD2 LEU 7 HD23 LEU 7 -0.276 -0.476 -2.293 56 3HD2 LEU 7 HD22 LEU 7 1.376 -0.301 -2.887 57 H ALA 8 HN ALA 8 -2.582 2.483 -5.667 58 HA ALA 8 HA ALA 8 -5.095 3.940 -4.913 59 1HB ALA 8 HB3 ALA 8 -4.006 2.890 -7.545 60 2HB ALA 8 HB2 ALA 8 -5.585 3.655 -7.366 61 3HB ALA 8 HB1 ALA 8 -4.118 4.580 -7.049 62 H VAL 9 HN VAL 9 -6.217 2.421 -3.654 63 HA VAL 9 HA VAL 9 -6.654 -0.272 -4.904 64 HB VAL 9 HB VAL 9 -5.456 -0.521 -2.854 65 1HG1 VAL 9 HG13 VAL 9 -7.080 1.823 -2.062 66 2HG1 VAL 9 HG12 VAL 9 -6.784 0.650 -0.779 67 3HG1 VAL 9 HG11 VAL 9 -5.427 1.398 -1.620 68 1HG2 VAL 9 HG23 VAL 9 -8.257 -1.259 -2.962 69 2HG2 VAL 9 HG22 VAL 9 -6.899 -2.155 -2.287 70 3HG2 VAL 9 HG21 VAL 9 -7.755 -0.978 -1.298 71 HA PRO 10 HA PRO 10 -10.769 1.704 -5.003 72 1HB PRO 10 HB2 PRO 10 -11.563 -0.009 -7.085 73 2HB PRO 10 HB1 PRO 10 -10.901 1.619 -7.271 74 1HG PRO 10 HG2 PRO 10 -9.659 -0.925 -7.928 75 2HG PRO 10 HG1 PRO 10 -9.088 0.708 -8.286 76 1HD PRO 10 HD2 PRO 10 -8.106 -1.124 -6.269 77 2HD PRO 10 HD1 PRO 10 -7.499 0.505 -6.662 78 H GLY 11 HN GLY 11 -10.032 -0.544 -3.147 79 1HA GLY 11 HA2 GLY 11 -12.013 -2.637 -3.513 80 2HA GLY 11 HA1 GLY 11 -11.018 -2.386 -2.079 81 H MET 12 HN MET 12 -11.683 0.172 -1.345 82 HA MET 12 HA MET 12 -13.279 1.128 0.138 83 1HB MET 12 HB2 MET 12 -15.197 1.930 -1.190 84 2HB MET 12 HB1 MET 12 -13.714 2.037 -2.137 85 1HG MET 12 HG2 MET 12 -14.264 0.095 -3.406 86 2HG MET 12 HG1 MET 12 -15.550 -0.360 -2.290 87 1HE MET 12 HE3 MET 12 -14.071 1.956 -4.643 88 2HE MET 12 HE2 MET 12 -15.144 1.270 -5.861 89 3HE MET 12 HE1 MET 12 -15.345 2.949 -5.364 90 H THR 13 HN THR 13 -13.128 -1.418 0.905 91 HA THR 13 HA THR 13 -15.761 -2.746 0.747 92 HB THR 13 HB THR 13 -14.247 -4.102 2.605 93 HG1 THR 13 HG1 THR 13 -12.393 -3.282 0.671 94 1HG2 THR 13 HG23 THR 13 -15.339 -4.718 0.289 95 2HG2 THR 13 HG22 THR 13 -13.694 -4.506 -0.312 96 3HG2 THR 13 HG21 THR 13 -14.029 -5.705 0.938 97 H CYS 14 HN CYS 14 -15.072 -0.064 2.212 98 HA CYS 14 HA CYS 14 -15.982 1.038 4.085 99 1HB CYS 14 HB2 CYS 14 -17.874 -0.567 3.353 100 2HB CYS 14 HB1 CYS 14 -17.350 -1.589 4.691 101 HG CYS 14 HG CYS 14 -17.688 1.080 5.875 102 H ALA 15 HN ALA 15 -13.882 1.085 5.118 103 HA ALA 15 HA ALA 15 -12.489 0.723 6.994 104 1HB ALA 15 HB1 ALA 15 -14.927 0.547 7.924 105 2HB ALA 15 HB3 ALA 15 -14.595 -1.184 7.992 106 3HB ALA 15 HB2 ALA 15 -13.600 -0.058 8.915 107 H ALA 16 HN ALA 16 -12.819 -1.293 4.589 108 HA ALA 16 HA ALA 16 -11.301 -3.523 5.918 109 1HB ALA 16 HB3 ALA 16 -13.736 -3.511 4.443 110 2HB ALA 16 HB2 ALA 16 -12.522 -4.286 3.424 111 3HB ALA 16 HB1 ALA 16 -12.849 -4.914 5.039 112 H CYS 17 HN CYS 17 -11.838 -1.818 2.829 113 HA CYS 17 HA CYS 17 -9.589 -2.750 1.403 114 1HB CYS 17 HB2 CYS 17 -11.120 -1.569 0.147 115 2HB CYS 17 HB1 CYS 17 -11.393 -0.370 1.402 116 HG CYS 17 HG CYS 17 -9.398 0.967 0.589 117 HA PRO 18 HA PRO 18 -7.078 0.929 3.227 118 1HB PRO 18 HB2 PRO 18 -8.128 1.995 5.575 119 2HB PRO 18 HB1 PRO 18 -8.336 2.672 3.956 120 1HG PRO 18 HG2 PRO 18 -10.299 1.301 5.653 121 2HG PRO 18 HG1 PRO 18 -10.567 2.314 4.234 122 1HD PRO 18 HD2 PRO 18 -10.730 -0.537 4.380 123 2HD PRO 18 HD1 PRO 18 -10.863 0.472 2.921 124 H ILE 19 HN ILE 19 -8.531 -1.501 5.282 125 HA ILE 19 HA ILE 19 -6.333 -1.345 7.273 126 HB ILE 19 HB ILE 19 -8.870 -2.951 6.916 127 1HG1 ILE 19 HG12 ILE 19 -7.859 -0.869 8.870 128 2HG1 ILE 19 HG11 ILE 19 -9.269 -0.769 7.814 129 1HG2 ILE 19 HG21 ILE 19 -6.762 -3.266 9.078 130 2HG2 ILE 19 HG23 ILE 19 -8.340 -4.054 9.066 131 3HG2 ILE 19 HG22 ILE 19 -7.144 -4.455 7.833 132 1HD1 ILE 19 HD13 ILE 19 -9.737 -3.068 9.308 133 2HD1 ILE 19 HD12 ILE 19 -9.028 -1.952 10.475 134 3HD1 ILE 19 HD11 ILE 19 -10.477 -1.490 9.583 135 H THR 20 HN THR 20 -7.451 -3.279 4.601 136 HA THR 20 HA THR 20 -5.510 -5.433 5.016 137 HB THR 20 HB THR 20 -7.751 -4.681 3.190 138 HG1 THR 20 HG1 THR 20 -7.167 -7.263 4.054 139 1HG2 THR 20 HG21 THR 20 -5.462 -6.477 2.443 140 2HG2 THR 20 HG23 THR 20 -7.082 -6.767 1.809 141 3HG2 THR 20 HG22 THR 20 -6.263 -5.242 1.472 142 H VAL 21 HN VAL 21 -6.059 -2.818 2.634 143 HA VAL 21 HA VAL 21 -3.765 -3.282 1.051 144 HB VAL 21 HB VAL 21 -5.266 -0.754 1.799 145 1HG1 VAL 21 HG11 VAL 21 -2.979 -0.247 0.973 146 2HG1 VAL 21 HG13 VAL 21 -3.299 -1.215 -0.466 147 3HG1 VAL 21 HG12 VAL 21 -4.215 0.264 -0.177 148 1HG2 VAL 21 HG23 VAL 21 -6.021 -2.970 0.287 149 2HG2 VAL 21 HG22 VAL 21 -6.765 -1.373 0.223 150 3HG2 VAL 21 HG21 VAL 21 -5.494 -1.799 -0.923 151 H LYS 22 HN LYS 22 -4.201 -1.147 3.877 152 HA LYS 22 HA LYS 22 -1.533 -0.178 4.052 153 1HB LYS 22 HB2 LYS 22 -3.382 0.738 5.331 154 2HB LYS 22 HB1 LYS 22 -3.654 -0.811 6.130 155 1HG LYS 22 HG2 LYS 22 -1.127 -0.516 6.862 156 2HG LYS 22 HG1 LYS 22 -1.464 1.190 6.567 157 1HD LYS 22 HD2 LYS 22 -3.402 1.075 8.091 158 2HD LYS 22 HD1 LYS 22 -3.066 -0.630 8.392 159 1HE LYS 22 HE2 LYS 22 -0.615 0.541 8.906 160 2HE LYS 22 HE1 LYS 22 -1.760 1.746 9.528 161 1HZ LYS 22 HZ3 LYS 22 -2.151 -1.135 10.047 162 2HZ LYS 22 HZ2 LYS 22 -1.143 -0.205 11.049 163 3HZ LYS 22 HZ1 LYS 22 -2.788 0.190 10.892 164 H LYS 23 HN LYS 23 -3.045 -3.068 5.525 165 HA LYS 23 HA LYS 23 -0.560 -3.987 6.729 166 1HB LYS 23 HB2 LYS 23 -3.374 -4.912 6.365 167 2HB LYS 23 HB1 LYS 23 -2.167 -6.127 6.786 168 1HG LYS 23 HG2 LYS 23 -1.909 -3.676 8.369 169 2HG LYS 23 HG1 LYS 23 -3.469 -4.471 8.585 170 1HD LYS 23 HD2 LYS 23 -1.555 -6.542 8.575 171 2HD LYS 23 HD1 LYS 23 -0.876 -5.267 9.588 172 1HE LYS 23 HE2 LYS 23 -3.684 -5.535 10.186 173 2HE LYS 23 HE1 LYS 23 -2.897 -7.122 10.312 174 1HZ LYS 23 HZ3 LYS 23 -1.025 -5.691 11.418 175 2HZ LYS 23 HZ2 LYS 23 -2.312 -4.638 11.764 176 3HZ LYS 23 HZ1 LYS 23 -2.343 -6.239 12.334 177 H ALA 24 HN ALA 24 -1.555 -3.922 3.522 178 HA ALA 24 HA ALA 24 -0.544 -6.544 2.749 179 1HB ALA 24 HB3 ALA 24 -2.187 -4.447 1.692 180 2HB ALA 24 HB2 ALA 24 -0.884 -4.767 0.547 181 3HB ALA 24 HB1 ALA 24 -1.955 -6.073 1.051 182 H LEU 25 HN LEU 25 0.335 -3.174 2.090 183 HA LEU 25 HA LEU 25 2.982 -3.998 1.131 184 1HB LEU 25 HB2 LEU 25 3.170 -1.279 1.449 185 2HB LEU 25 HB1 LEU 25 2.612 -2.065 -0.010 186 HG LEU 25 HG LEU 25 1.168 -0.205 0.772 187 1HD1 LEU 25 HD11 LEU 25 0.118 -2.949 0.355 188 2HD1 LEU 25 HD13 LEU 25 -0.995 -1.642 0.741 189 3HD1 LEU 25 HD12 LEU 25 0.030 -1.534 -0.678 190 1HD2 LEU 25 HD22 LEU 25 1.008 -1.903 3.189 191 2HD2 LEU 25 HD21 LEU 25 1.091 -0.155 3.041 192 3HD2 LEU 25 HD23 LEU 25 -0.417 -0.990 2.714 193 H SER 26 HN SER 26 1.484 -3.365 4.096 194 HA SER 26 HA SER 26 3.847 -2.374 5.528 195 1HB SER 26 HB2 SER 26 1.621 -1.833 6.319 196 2HB SER 26 HB1 SER 26 1.149 -3.526 6.302 197 HG SER 26 HG SER 26 1.698 -2.833 8.404 198 H LYS 27 HN LYS 27 2.226 -5.493 4.951 199 HA LYS 27 HA LYS 27 4.383 -6.829 6.509 200 1HB LYS 27 HB2 LYS 27 2.747 -8.280 7.141 201 2HB LYS 27 HB1 LYS 27 1.631 -7.088 6.487 202 1HG LYS 27 HG2 LYS 27 2.823 -9.370 4.881 203 2HG LYS 27 HG1 LYS 27 1.221 -9.400 5.618 204 1HD LYS 27 HD2 LYS 27 0.352 -7.870 4.128 205 2HD LYS 27 HD1 LYS 27 1.905 -7.068 3.884 206 1HE LYS 27 HE2 LYS 27 1.122 -8.403 1.883 207 2HE LYS 27 HE1 LYS 27 2.695 -8.933 2.511 208 1HZ LYS 27 HZ2 LYS 27 0.228 -10.079 3.629 209 2HZ LYS 27 HZ1 LYS 27 0.811 -10.672 2.147 210 3HZ LYS 27 HZ3 LYS 27 1.781 -10.761 3.536 211 H VAL 28 HN VAL 28 3.877 -5.864 3.411 212 HA VAL 28 HA VAL 28 4.256 -8.101 1.751 213 HB VAL 28 HB VAL 28 3.782 -5.883 0.912 214 1HG1 VAL 28 HG11 VAL 28 5.403 -4.924 2.817 215 2HG1 VAL 28 HG13 VAL 28 6.537 -4.888 1.467 216 3HG1 VAL 28 HG12 VAL 28 5.018 -3.997 1.367 217 1HG2 VAL 28 HG23 VAL 28 5.879 -7.538 -0.072 218 2HG2 VAL 28 HG22 VAL 28 4.853 -6.432 -0.985 219 3HG2 VAL 28 HG21 VAL 28 6.379 -5.863 -0.309 220 H GLU 29 HN GLU 29 6.880 -6.046 3.162 221 HA GLU 29 HA GLU 29 8.588 -8.151 3.904 222 1HB GLU 29 HB2 GLU 29 8.331 -7.720 1.031 223 2HB GLU 29 HB1 GLU 29 10.009 -7.603 1.565 224 1HG GLU 29 HG2 GLU 29 8.980 -9.783 2.978 225 2HG GLU 29 HG1 GLU 29 8.311 -9.954 1.355 226 H GLY 30 HN GLY 30 9.835 -5.752 1.644 227 1HA GLY 30 HA2 GLY 30 11.710 -4.732 3.560 228 2HA GLY 30 HA1 GLY 30 11.387 -4.029 1.980 229 H VAL 31 HN VAL 31 8.428 -3.810 2.845 230 HA VAL 31 HA VAL 31 8.198 -1.125 3.421 231 HB VAL 31 HB VAL 31 6.366 -2.713 3.050 232 1HG1 VAL 31 HG12 VAL 31 7.505 -4.327 4.811 233 2HG1 VAL 31 HG11 VAL 31 6.466 -3.470 5.950 234 3HG1 VAL 31 HG13 VAL 31 5.755 -4.344 4.593 235 1HG2 VAL 31 HG23 VAL 31 6.368 -0.458 4.656 236 2HG2 VAL 31 HG22 VAL 31 4.922 -1.273 4.065 237 3HG2 VAL 31 HG21 VAL 31 5.554 -1.651 5.668 238 H SER 32 HN SER 32 8.269 0.191 5.108 239 HA SER 32 HA SER 32 9.275 -0.891 7.717 240 1HB SER 32 HB2 SER 32 10.269 1.238 5.885 241 2HB SER 32 HB1 SER 32 10.411 1.545 7.613 242 HG SER 32 HG SER 32 11.188 -0.933 6.528 243 H LYS 33 HN LYS 33 6.902 0.916 6.104 244 HA LYS 33 HA LYS 33 5.672 1.676 8.662 245 1HB LYS 33 HB2 LYS 33 6.879 3.611 8.733 246 2HB LYS 33 HB1 LYS 33 7.285 3.536 7.024 247 1HG LYS 33 HG2 LYS 33 4.975 4.313 6.477 248 2HG LYS 33 HG1 LYS 33 4.646 4.462 8.204 249 1HD LYS 33 HD2 LYS 33 7.042 5.832 7.882 250 2HD LYS 33 HD1 LYS 33 6.126 6.260 6.436 251 1HE LYS 33 HE2 LYS 33 4.272 6.370 8.570 252 2HE LYS 33 HE1 LYS 33 5.737 7.194 9.143 253 1HZ LYS 33 HZ2 LYS 33 5.804 8.302 6.913 254 2HZ LYS 33 HZ1 LYS 33 4.240 7.702 6.633 255 3HZ LYS 33 HZ3 LYS 33 4.515 8.785 7.908 256 H VAL 34 HN VAL 34 3.480 2.728 8.248 257 HA VAL 34 HA VAL 34 2.439 2.537 5.498 258 HB VAL 34 HB VAL 34 0.809 0.880 7.213 259 1HG1 VAL 34 HG12 VAL 34 1.670 1.043 4.537 260 2HG1 VAL 34 HG11 VAL 34 2.199 -0.536 5.117 261 3HG1 VAL 34 HG13 VAL 34 0.496 -0.085 5.212 262 1HG2 VAL 34 HG22 VAL 34 3.129 0.519 8.288 263 2HG2 VAL 34 HG21 VAL 34 2.260 -0.913 7.761 264 3HG2 VAL 34 HG23 VAL 34 3.570 -0.271 6.774 265 H ASP 35 HN ASP 35 0.264 3.368 5.327 266 HA ASP 35 HA ASP 35 -1.115 4.342 7.743 267 1HB ASP 35 HB2 ASP 35 0.698 5.952 6.165 268 2HB ASP 35 HB1 ASP 35 -0.938 6.599 6.036 269 H VAL 36 HN VAL 36 -3.320 5.179 7.099 270 HA VAL 36 HA VAL 36 -4.149 3.945 4.499 271 HB VAL 36 HB VAL 36 -6.439 4.040 5.714 272 1HG1 VAL 36 HG11 VAL 36 -4.923 2.020 5.364 273 2HG1 VAL 36 HG13 VAL 36 -4.309 2.311 6.991 274 3HG1 VAL 36 HG12 VAL 36 -6.012 1.924 6.748 275 1HG2 VAL 36 HG21 VAL 36 -5.207 5.610 7.489 276 2HG2 VAL 36 HG23 VAL 36 -6.507 4.520 7.972 277 3HG2 VAL 36 HG22 VAL 36 -4.825 4.055 8.228 278 H GLY 37 HN GLY 37 -4.988 5.225 2.936 279 1HA GLY 37 HA2 GLY 37 -5.784 8.016 3.662 280 2HA GLY 37 HA1 GLY 37 -4.953 7.627 2.155 281 H PHE 38 HN PHE 38 -7.787 6.359 3.928 282 HA PHE 38 HA PHE 38 -9.201 5.404 1.667 283 1HB PHE 38 HB2 PHE 38 -9.465 5.411 4.377 284 2HB PHE 38 HB1 PHE 38 -10.736 6.547 3.930 285 HD1 PHE 38 HD2 PHE 38 -9.533 3.646 1.908 286 HD2 PHE 38 HD1 PHE 38 -12.679 5.250 4.356 287 HE1 PHE 38 HE2 PHE 38 -11.001 1.761 1.256 288 HE2 PHE 38 HE1 PHE 38 -14.142 3.359 3.705 289 HZ PHE 38 HZ PHE 38 -13.311 1.616 2.160 290 H GLU 39 HN GLU 39 -8.684 8.665 2.720 291 HA GLU 39 HA GLU 39 -10.981 10.030 1.879 292 1HB GLU 39 HB2 GLU 39 -8.185 10.541 2.377 293 2HB GLU 39 HB1 GLU 39 -8.711 11.477 0.977 294 1HG GLU 39 HG2 GLU 39 -9.191 12.863 2.851 295 2HG GLU 39 HG1 GLU 39 -10.742 12.156 2.398 296 H LYS 40 HN LYS 40 -8.649 8.291 -0.029 297 HA LYS 40 HA LYS 40 -10.240 8.841 -2.474 298 1HB LYS 40 HB2 LYS 40 -8.143 10.416 -1.974 299 2HB LYS 40 HB1 LYS 40 -7.258 9.046 -2.647 300 1HG LYS 40 HG2 LYS 40 -7.713 10.054 -4.640 301 2HG LYS 40 HG1 LYS 40 -9.282 9.269 -4.454 302 1HD LYS 40 HD2 LYS 40 -9.344 11.685 -2.940 303 2HD LYS 40 HD1 LYS 40 -8.704 12.073 -4.536 304 1HE LYS 40 HE2 LYS 40 -10.766 10.391 -5.200 305 2HE LYS 40 HE1 LYS 40 -11.427 11.217 -3.775 306 1HZ LYS 40 HZ1 LYS 40 -10.037 12.645 -5.971 307 2HZ LYS 40 HZ3 LYS 40 -11.719 12.433 -5.938 308 3HZ LYS 40 HZ2 LYS 40 -10.953 13.320 -4.709 309 H ARG 41 HN ARG 41 -10.071 6.464 -0.919 310 HA ARG 41 HA ARG 41 -9.443 4.174 -1.049 311 1HB ARG 41 HB2 ARG 41 -9.430 4.733 -4.013 312 2HB ARG 41 HB1 ARG 41 -10.034 3.307 -3.172 313 1HG ARG 41 HG2 ARG 41 -11.247 6.079 -3.085 314 2HG ARG 41 HG1 ARG 41 -11.902 4.682 -3.938 315 1HD ARG 41 HD2 ARG 41 -12.679 3.697 -2.002 316 2HD ARG 41 HD1 ARG 41 -11.340 4.329 -1.025 317 HE ARG 41 HE ARG 41 -12.773 6.588 -1.856 318 1HH1 ARG 41 HH21 ARG 41 -13.395 3.664 -0.126 319 2HH1 ARG 41 HH22 ARG 41 -14.657 4.351 0.840 320 1HH2 ARG 41 HH11 ARG 41 -14.420 7.497 -0.599 321 2HH2 ARG 41 HH12 ARG 41 -15.237 6.518 0.573 322 H GLU 42 HN GLU 42 -7.139 5.401 -0.426 323 HA GLU 42 HA GLU 42 -5.177 4.048 -2.199 324 1HB GLU 42 HB2 GLU 42 -3.859 6.190 -2.287 325 2HB GLU 42 HB1 GLU 42 -5.414 6.291 -3.114 326 1HG GLU 42 HG2 GLU 42 -6.353 7.644 -1.482 327 2HG GLU 42 HG1 GLU 42 -5.292 7.028 -0.214 328 H ALA 43 HN ALA 43 -3.158 3.611 -1.126 329 HA ALA 43 HA ALA 43 -3.242 4.084 1.844 330 1HB ALA 43 HB3 ALA 43 -2.136 1.815 0.156 331 2HB ALA 43 HB2 ALA 43 -1.946 1.928 1.906 332 3HB ALA 43 HB1 ALA 43 -3.553 1.750 1.203 333 H VAL 44 HN VAL 44 -1.320 4.904 2.794 334 HA VAL 44 HA VAL 44 0.814 5.673 0.835 335 HB VAL 44 HB VAL 44 -0.572 7.395 2.145 336 1HG1 VAL 44 HG12 VAL 44 -0.235 5.888 4.283 337 2HG1 VAL 44 HG11 VAL 44 1.268 6.798 4.433 338 3HG1 VAL 44 HG13 VAL 44 -0.278 7.645 4.437 339 1HG2 VAL 44 HG23 VAL 44 2.431 7.239 2.125 340 2HG2 VAL 44 HG22 VAL 44 1.366 8.260 1.158 341 3HG2 VAL 44 HG21 VAL 44 1.627 8.624 2.864 342 H VAL 45 HN VAL 45 2.413 4.174 0.938 343 HA VAL 45 HA VAL 45 3.114 3.056 3.626 344 HB VAL 45 HB VAL 45 2.146 1.683 1.662 345 1HG1 VAL 45 HG13 VAL 45 4.027 2.857 0.172 346 2HG1 VAL 45 HG12 VAL 45 4.959 1.461 0.711 347 3HG1 VAL 45 HG11 VAL 45 3.453 1.225 -0.177 348 1HG2 VAL 45 HG21 VAL 45 4.086 1.118 3.679 349 2HG2 VAL 45 HG23 VAL 45 2.922 0.008 2.959 350 3HG2 VAL 45 HG22 VAL 45 4.521 0.194 2.242 351 H THR 46 HN THR 46 5.224 3.007 4.261 352 HA THR 46 HA THR 46 7.233 4.429 2.552 353 HB THR 46 HB THR 46 6.641 4.207 5.490 354 HG1 THR 46 HG1 THR 46 6.037 6.028 4.214 355 1HG2 THR 46 HG21 THR 46 9.332 4.209 4.268 356 2HG2 THR 46 HG23 THR 46 9.081 5.425 5.521 357 3HG2 THR 46 HG22 THR 46 8.830 3.718 5.886 358 H PHE 47 HN PHE 47 9.327 3.311 2.370 359 HA PHE 47 HA PHE 47 9.709 0.784 3.727 360 1HB PHE 47 HB2 PHE 47 9.253 -0.678 1.859 361 2HB PHE 47 HB1 PHE 47 7.841 0.353 2.093 362 HD1 PHE 47 HD2 PHE 47 10.971 -0.038 0.054 363 HD2 PHE 47 HD1 PHE 47 7.116 1.849 0.423 364 HE1 PHE 47 HE2 PHE 47 11.166 0.813 -2.255 365 HE2 PHE 47 HE1 PHE 47 7.314 2.691 -1.900 366 HZ PHE 47 HZ PHE 47 9.329 2.173 -3.238 367 H ASP 48 HN ASP 48 11.453 -0.512 2.684 368 HA ASP 48 HA ASP 48 13.525 1.337 1.600 369 1HB ASP 48 HB2 ASP 48 15.025 -0.619 2.432 370 2HB ASP 48 HB1 ASP 48 14.255 0.384 3.660 371 H ASP 49 HN ASP 49 13.806 1.081 -0.565 372 HA ASP 49 HA ASP 49 12.545 -0.926 -2.105 373 1HB ASP 49 HB2 ASP 49 13.714 0.065 -3.912 374 2HB ASP 49 HB1 ASP 49 13.553 1.361 -2.727 375 H THR 50 HN THR 50 15.308 -1.231 -0.140 376 HA THR 50 HA THR 50 16.830 -3.149 -1.654 377 HB THR 50 HB THR 50 17.700 -1.828 0.226 378 HG1 THR 50 HG1 THR 50 18.977 -3.421 0.644 379 1HG2 THR 50 HG21 THR 50 15.304 -2.375 1.430 380 2HG2 THR 50 HG23 THR 50 16.384 -3.471 2.291 381 3HG2 THR 50 HG22 THR 50 16.717 -1.739 2.272 382 H LYS 51 HN LYS 51 13.990 -3.449 0.421 383 HA LYS 51 HA LYS 51 14.123 -6.431 0.063 384 1HB LYS 51 HB2 LYS 51 13.430 -4.618 2.328 385 2HB LYS 51 HB1 LYS 51 12.508 -6.114 2.187 386 1HG LYS 51 HG2 LYS 51 14.785 -7.291 1.940 387 2HG LYS 51 HG1 LYS 51 15.488 -5.787 2.537 388 1HD LYS 51 HD2 LYS 51 14.963 -6.356 4.647 389 2HD LYS 51 HD1 LYS 51 13.260 -6.478 4.204 390 1HE LYS 51 HE2 LYS 51 13.665 -8.803 3.382 391 2HE LYS 51 HE1 LYS 51 15.342 -8.678 3.949 392 1HZ LYS 51 HZ3 LYS 51 13.999 -7.774 6.074 393 2HZ LYS 51 HZ2 LYS 51 12.890 -8.916 5.481 394 3HZ LYS 51 HZ1 LYS 51 14.471 -9.392 5.883 395 H ALA 52 HN ALA 52 12.544 -3.714 -0.998 396 HA ALA 52 HA ALA 52 10.326 -5.215 -2.126 397 1HB ALA 52 HB2 ALA 52 10.127 -4.159 0.533 398 2HB ALA 52 HB1 ALA 52 9.019 -3.266 -0.509 399 3HB ALA 52 HB3 ALA 52 8.898 -5.021 -0.392 400 H SER 53 HN SER 53 8.531 -3.099 -2.447 401 HA SER 53 HA SER 53 9.542 -0.567 -3.145 402 1HB SER 53 HB2 SER 53 10.934 -1.038 -4.864 403 2HB SER 53 HB1 SER 53 10.494 -2.741 -4.789 404 HG SER 53 HG SER 53 9.608 -2.296 -6.654 405 H VAL 54 HN VAL 54 8.099 0.546 -4.791 406 HA VAL 54 HA VAL 54 5.398 0.374 -4.317 407 HB VAL 54 HB VAL 54 7.072 1.140 -6.692 408 1HG1 VAL 54 HG12 VAL 54 4.063 0.935 -6.611 409 2HG1 VAL 54 HG11 VAL 54 4.865 2.141 -7.617 410 3HG1 VAL 54 HG13 VAL 54 5.166 0.425 -7.888 411 1HG2 VAL 54 HG23 VAL 54 5.394 2.503 -4.595 412 2HG2 VAL 54 HG22 VAL 54 7.092 2.764 -4.993 413 3HG2 VAL 54 HG21 VAL 54 5.832 3.352 -6.078 414 H GLN 55 HN GLN 55 7.192 -1.526 -6.763 415 HA GLN 55 HA GLN 55 5.054 -2.863 -8.007 416 1HB GLN 55 HB2 GLN 55 7.578 -2.938 -8.444 417 2HB GLN 55 HB1 GLN 55 7.667 -4.136 -7.152 418 1HG GLN 55 HG2 GLN 55 7.452 -5.437 -9.114 419 2HG GLN 55 HG1 GLN 55 5.816 -5.389 -8.458 420 1HE2 GLN 55 HE22 GLN 55 6.542 -2.868 -11.634 421 2HE2 GLN 55 HE21 GLN 55 7.732 -3.048 -10.436 422 H LYS 56 HN LYS 56 6.840 -3.850 -5.072 423 HA LYS 56 HA LYS 56 5.102 -6.097 -4.520 424 1HB LYS 56 HB2 LYS 56 7.600 -5.348 -3.824 425 2HB LYS 56 HB1 LYS 56 6.732 -4.827 -2.379 426 1HG LYS 56 HG2 LYS 56 7.271 -7.056 -1.872 427 2HG LYS 56 HG1 LYS 56 5.624 -7.189 -2.490 428 1HD LYS 56 HD2 LYS 56 6.419 -8.673 -3.986 429 2HD LYS 56 HD1 LYS 56 7.223 -7.314 -4.774 430 1HE LYS 56 HE2 LYS 56 8.554 -8.592 -2.400 431 2HE LYS 56 HE1 LYS 56 8.663 -9.385 -3.984 432 1HZ LYS 56 HZ2 LYS 56 9.267 -6.519 -3.479 433 2HZ LYS 56 HZ1 LYS 56 10.441 -7.735 -3.646 434 3HZ LYS 56 HZ3 LYS 56 9.439 -7.341 -4.956 435 H LEU 57 HN LEU 57 4.927 -2.662 -3.684 436 HA LEU 57 HA LEU 57 3.190 -3.058 -1.386 437 1HB LEU 57 HB2 LEU 57 3.479 -0.674 -3.249 438 2HB LEU 57 HB1 LEU 57 2.827 -0.643 -1.613 439 HG LEU 57 HG LEU 57 5.663 -1.479 -2.281 440 1HD1 LEU 57 HD12 LEU 57 4.392 1.142 -2.008 441 2HD1 LEU 57 HD11 LEU 57 5.720 0.911 -0.873 442 3HD1 LEU 57 HD13 LEU 57 6.002 0.735 -2.602 443 1HD2 LEU 57 HD23 LEU 57 4.504 -2.277 -0.115 444 2HD2 LEU 57 HD22 LEU 57 6.036 -1.423 0.074 445 3HD2 LEU 57 HD21 LEU 57 4.516 -0.581 0.371 446 H THR 58 HN THR 58 2.528 -1.771 -4.649 447 HA THR 58 HA THR 58 -0.298 -1.992 -4.572 448 HB THR 58 HB THR 58 1.698 -2.240 -6.851 449 HG1 THR 58 HG1 THR 58 0.744 0.059 -6.974 450 1HG2 THR 58 HG23 THR 58 -1.255 -1.555 -6.885 451 2HG2 THR 58 HG22 THR 58 -0.175 -1.502 -8.278 452 3HG2 THR 58 HG21 THR 58 -0.535 -3.043 -7.500 453 H LYS 59 HN LYS 59 2.233 -4.364 -5.058 454 HA LYS 59 HA LYS 59 0.580 -6.421 -6.199 455 1HB LYS 59 HB2 LYS 59 2.988 -6.399 -6.485 456 2HB LYS 59 HB1 LYS 59 3.233 -6.378 -4.738 457 1HG LYS 59 HG2 LYS 59 2.790 -8.614 -4.509 458 2HG LYS 59 HG1 LYS 59 1.599 -8.616 -5.811 459 1HD LYS 59 HD2 LYS 59 4.507 -8.182 -6.439 460 2HD LYS 59 HD1 LYS 59 3.893 -9.817 -6.193 461 1HE LYS 59 HE2 LYS 59 1.995 -8.981 -7.878 462 2HE LYS 59 HE1 LYS 59 3.292 -7.886 -8.398 463 1HZ LYS 59 HZ3 LYS 59 3.923 -10.710 -7.898 464 2HZ LYS 59 HZ2 LYS 59 3.160 -10.296 -9.358 465 3HZ LYS 59 HZ1 LYS 59 4.665 -9.616 -8.959 466 H ALA 60 HN ALA 60 1.549 -5.479 -2.921 467 HA ALA 60 HA ALA 60 0.500 -7.764 -1.572 468 1HB ALA 60 HB1 ALA 60 2.112 -5.879 -0.822 469 2HB ALA 60 HB3 ALA 60 0.650 -4.953 -0.482 470 3HB ALA 60 HB2 ALA 60 0.952 -6.469 0.368 471 H THR 61 HN THR 61 -0.919 -4.609 -2.420 472 HA THR 61 HA THR 61 -3.466 -5.170 -1.137 473 HB THR 61 HB THR 61 -2.585 -2.890 -1.567 474 HG1 THR 61 HG1 THR 61 -4.803 -3.168 -3.260 475 1HG2 THR 61 HG23 THR 61 -2.818 -3.792 -4.443 476 2HG2 THR 61 HG22 THR 61 -2.695 -2.095 -3.980 477 3HG2 THR 61 HG21 THR 61 -1.380 -3.207 -3.607 478 H ALA 62 HN ALA 62 -1.999 -5.666 -4.232 479 HA ALA 62 HA ALA 62 -4.350 -6.295 -5.753 480 1HB ALA 62 HB3 ALA 62 -1.445 -6.350 -5.975 481 2HB ALA 62 HB2 ALA 62 -2.173 -7.750 -6.764 482 3HB ALA 62 HB1 ALA 62 -2.649 -6.120 -7.244 483 H ASP 63 HN ASP 63 -2.229 -8.130 -3.599 484 HA ASP 63 HA ASP 63 -3.626 -10.666 -4.223 485 1HB ASP 63 HB2 ASP 63 -1.250 -10.790 -3.921 486 2HB ASP 63 HB1 ASP 63 -1.319 -9.814 -2.453 487 H ALA 64 HN ALA 64 -3.950 -8.015 -2.099 488 HA ALA 64 HA ALA 64 -5.109 -9.461 0.163 489 1HB ALA 64 HB2 ALA 64 -4.229 -6.818 -0.547 490 2HB ALA 64 HB1 ALA 64 -5.889 -6.712 0.039 491 3HB ALA 64 HB3 ALA 64 -4.640 -7.431 1.056 492 H GLY 65 HN GLY 65 -6.172 -8.023 -2.837 493 1HA GLY 65 HA2 GLY 65 -8.352 -9.196 -3.592 494 2HA GLY 65 HA1 GLY 65 -9.004 -8.562 -2.085 495 H TYR 66 HN TYR 66 -6.722 -6.641 -3.957 496 HA TYR 66 HA TYR 66 -8.973 -5.068 -5.116 497 1HB TYR 66 HB2 TYR 66 -6.801 -3.852 -3.402 498 2HB TYR 66 HB1 TYR 66 -8.232 -3.049 -4.036 499 HD1 TYR 66 HD1 TYR 66 -10.519 -4.194 -3.357 500 HD2 TYR 66 HD2 TYR 66 -6.803 -4.587 -1.271 501 HE1 TYR 66 HE1 TYR 66 -11.748 -4.747 -1.287 502 HE2 TYR 66 HE2 TYR 66 -8.013 -5.132 0.800 503 HH TYR 66 HH TYR 66 -11.447 -5.764 0.820 504 HA PRO 67 HA PRO 67 -5.660 -5.155 -8.257 505 1HB PRO 67 HB2 PRO 67 -7.569 -3.754 -9.928 506 2HB PRO 67 HB1 PRO 67 -6.990 -5.414 -10.100 507 1HG PRO 67 HG2 PRO 67 -9.581 -4.565 -9.256 508 2HG PRO 67 HG1 PRO 67 -8.964 -6.219 -9.333 509 1HD PRO 67 HD2 PRO 67 -9.512 -4.631 -6.975 510 2HD PRO 67 HD1 PRO 67 -8.924 -6.311 -7.055 511 H SER 68 HN SER 68 -4.411 -3.528 -7.125 512 HA SER 68 HA SER 68 -5.410 -0.724 -7.334 513 1HB SER 68 HB2 SER 68 -4.855 -0.788 -5.152 514 2HB SER 68 HB1 SER 68 -4.132 -2.379 -5.349 515 HG SER 68 HG SER 68 -2.943 0.011 -5.055 516 H SER 69 HN SER 69 -3.159 0.710 -7.017 517 HA SER 69 HA SER 69 -1.107 -0.049 -8.996 518 1HB SER 69 HB2 SER 69 -1.832 1.409 -10.601 519 2HB SER 69 HB1 SER 69 -3.377 1.333 -9.761 520 HG SER 69 HG SER 69 -2.363 3.485 -10.124 521 H VAL 70 HN VAL 70 0.017 2.536 -9.138 522 HA VAL 70 HA VAL 70 0.415 3.288 -6.288 523 HB VAL 70 HB VAL 70 1.956 1.517 -7.367 524 1HG1 VAL 70 HG11 VAL 70 2.226 3.291 -9.362 525 2HG1 VAL 70 HG13 VAL 70 3.567 3.832 -8.351 526 3HG1 VAL 70 HG12 VAL 70 3.518 2.169 -8.934 527 1HG2 VAL 70 HG23 VAL 70 2.447 3.700 -5.526 528 2HG2 VAL 70 HG22 VAL 70 3.056 2.046 -5.466 529 3HG2 VAL 70 HG21 VAL 70 3.934 3.277 -6.373 530 H LYS 71 HN LYS 71 1.429 5.419 -6.029 531 HA LYS 71 HA LYS 71 1.171 7.119 -8.495 532 1HB LYS 71 HB2 LYS 71 0.647 8.160 -5.728 533 2HB LYS 71 HB1 LYS 71 -0.041 8.700 -7.259 534 1HG LYS 71 HG2 LYS 71 -1.353 6.633 -7.417 535 2HG LYS 71 HG1 LYS 71 -0.642 6.056 -5.909 536 1HD LYS 71 HD2 LYS 71 -2.175 7.184 -4.723 537 2HD LYS 71 HD1 LYS 71 -1.671 8.694 -5.481 538 1HE LYS 71 HE2 LYS 71 -3.116 7.690 -7.521 539 2HE LYS 71 HE1 LYS 71 -3.964 6.914 -6.170 540 1HZ LYS 71 HZ1 LYS 71 -4.071 9.079 -5.065 541 2HZ LYS 71 HZ3 LYS 71 -3.337 9.810 -6.408 542 3HZ LYS 71 HZ2 LYS 71 -4.877 9.108 -6.561 543 H GLN 72 HN GLN 72 3.391 5.768 -7.136 544 HA GLN 72 HA GLN 72 5.640 6.219 -6.506 545 1HB GLN 72 HB2 GLN 72 4.807 8.561 -8.236 546 2HB GLN 72 HB1 GLN 72 6.473 8.319 -7.708 547 1HG GLN 72 HG2 GLN 72 4.923 6.125 -9.086 548 2HG GLN 72 HG1 GLN 72 5.819 7.338 -10.003 549 1HE2 GLN 72 HE22 GLN 72 9.022 6.074 -9.052 550 2HE2 GLN 72 HE21 GLN 72 8.200 7.431 -9.655 No H/Q in entry = 550 Start of MODEL 14 1 1H ALA 1 HT3 ALA 1 16.355 1.564 -0.370 2 2H ALA 1 HT2 ALA 1 16.753 1.912 -1.985 3 3H ALA 1 HT1 ALA 1 17.890 2.176 -0.750 4 HA ALA 1 HA ALA 1 17.174 4.259 -0.522 5 1HB ALA 1 HB2 ALA 1 16.569 3.819 -2.942 6 2HB ALA 1 HB1 ALA 1 14.928 3.462 -2.401 7 3HB ALA 1 HB3 ALA 1 15.601 5.076 -2.172 8 H THR 2 HN THR 2 14.764 5.477 -0.231 9 HA THR 2 HA THR 2 13.059 3.901 1.579 10 HB THR 2 HB THR 2 13.436 6.344 2.839 11 HG1 THR 2 HG1 THR 2 15.267 6.991 2.011 12 1HG2 THR 2 HG23 THR 2 13.263 4.024 3.808 13 2HG2 THR 2 HG22 THR 2 14.971 3.810 3.426 14 3HG2 THR 2 HG21 THR 2 14.475 5.048 4.580 15 H GLN 3 HN GLN 3 11.535 4.208 -0.150 16 HA GLN 3 HA GLN 3 10.799 7.053 -0.751 17 1HB GLN 3 HB2 GLN 3 11.063 4.582 -2.231 18 2HB GLN 3 HB1 GLN 3 9.465 5.285 -2.481 19 1HG GLN 3 HG2 GLN 3 10.433 6.681 -3.966 20 2HG GLN 3 HG1 GLN 3 11.194 7.474 -2.586 21 1HE2 GLN 3 HE22 GLN 3 13.412 4.713 -4.691 22 2HE2 GLN 3 HE21 GLN 3 11.722 4.555 -4.654 23 H THR 4 HN THR 4 8.494 7.539 -1.060 24 HA THR 4 HA THR 4 6.629 5.851 0.568 25 HB THR 4 HB THR 4 7.366 7.616 2.014 26 HG1 THR 4 HG1 THR 4 5.172 7.500 2.100 27 1HG2 THR 4 HG23 THR 4 6.944 9.446 -0.363 28 2HG2 THR 4 HG22 THR 4 7.353 9.994 1.263 29 3HG2 THR 4 HG21 THR 4 8.491 9.000 0.355 30 H VAL 5 HN VAL 5 5.125 5.231 -0.968 31 HA VAL 5 HA VAL 5 4.112 7.278 -2.913 32 HB VAL 5 HB VAL 5 3.738 5.177 -4.269 33 1HG1 VAL 5 HG13 VAL 5 5.875 6.773 -4.177 34 2HG1 VAL 5 HG12 VAL 5 6.643 5.289 -3.612 35 3HG1 VAL 5 HG11 VAL 5 5.853 5.328 -5.189 36 1HG2 VAL 5 HG23 VAL 5 4.199 3.908 -1.883 37 2HG2 VAL 5 HG22 VAL 5 4.264 3.127 -3.462 38 3HG2 VAL 5 HG21 VAL 5 5.745 3.715 -2.708 39 H THR 6 HN THR 6 1.827 6.796 -3.568 40 HA THR 6 HA THR 6 0.285 5.662 -1.272 41 HB THR 6 HB THR 6 -0.345 7.935 -1.654 42 HG1 THR 6 HG1 THR 6 -2.211 6.721 -3.328 43 1HG2 THR 6 HG23 THR 6 0.222 7.194 -4.450 44 2HG2 THR 6 HG22 THR 6 -1.145 8.288 -4.234 45 3HG2 THR 6 HG21 THR 6 0.450 8.737 -3.627 46 H LEU 7 HN LEU 7 -1.728 4.492 -2.061 47 HA LEU 7 HA LEU 7 -1.194 3.155 -4.675 48 1HB LEU 7 HB2 LEU 7 -1.186 2.174 -1.922 49 2HB LEU 7 HB1 LEU 7 -2.289 1.255 -2.946 50 HG LEU 7 HG LEU 7 -0.575 0.629 -4.428 51 1HD1 LEU 7 HD12 LEU 7 0.987 2.883 -3.204 52 2HD1 LEU 7 HD11 LEU 7 1.774 1.613 -4.140 53 3HD1 LEU 7 HD13 LEU 7 0.564 2.640 -4.891 54 1HD2 LEU 7 HD21 LEU 7 -0.395 -0.341 -2.053 55 2HD2 LEU 7 HD23 LEU 7 1.034 -0.479 -3.074 56 3HD2 LEU 7 HD22 LEU 7 0.957 0.771 -1.839 57 H ALA 8 HN ALA 8 -3.121 2.126 -5.564 58 HA ALA 8 HA ALA 8 -5.614 3.602 -4.773 59 1HB ALA 8 HB1 ALA 8 -4.217 3.192 -7.201 60 2HB ALA 8 HB3 ALA 8 -5.708 2.260 -7.331 61 3HB ALA 8 HB2 ALA 8 -5.775 3.990 -6.993 62 H VAL 9 HN VAL 9 -6.742 2.220 -3.375 63 HA VAL 9 HA VAL 9 -7.086 -0.633 -4.265 64 HB VAL 9 HB VAL 9 -5.935 -0.522 -2.158 65 1HG1 VAL 9 HG11 VAL 9 -7.828 1.738 -1.689 66 2HG1 VAL 9 HG13 VAL 9 -7.320 0.804 -0.282 67 3HG1 VAL 9 HG12 VAL 9 -6.115 1.607 -1.289 68 1HG2 VAL 9 HG22 VAL 9 -8.536 -1.604 -2.379 69 2HG2 VAL 9 HG21 VAL 9 -7.288 -2.069 -1.223 70 3HG2 VAL 9 HG23 VAL 9 -8.471 -0.834 -0.794 71 HA PRO 10 HA PRO 10 -11.204 1.415 -4.598 72 1HB PRO 10 HB2 PRO 10 -11.803 -0.038 -6.916 73 2HB PRO 10 HB1 PRO 10 -11.160 1.606 -6.859 74 1HG PRO 10 HG2 PRO 10 -9.823 -0.849 -7.685 75 2HG PRO 10 HG1 PRO 10 -9.285 0.822 -7.872 76 1HD PRO 10 HD2 PRO 10 -8.324 -1.137 -5.986 77 2HD PRO 10 HD1 PRO 10 -7.808 0.559 -6.154 78 H GLY 11 HN GLY 11 -10.546 -1.058 -2.956 79 1HA GLY 11 HA2 GLY 11 -12.552 -3.028 -3.778 80 2HA GLY 11 HA1 GLY 11 -11.633 -3.055 -2.270 81 H MET 12 HN MET 12 -12.292 -0.262 -1.650 82 HA MET 12 HA MET 12 -13.876 0.709 -0.147 83 1HB MET 12 HB2 MET 12 -14.603 0.599 -2.906 84 2HB MET 12 HB1 MET 12 -16.081 0.394 -1.968 85 1HG MET 12 HG2 MET 12 -15.853 2.470 -0.908 86 2HG MET 12 HG1 MET 12 -14.121 2.551 -1.226 87 1HE MET 12 HE3 MET 12 -17.474 1.993 -3.170 88 2HE MET 12 HE2 MET 12 -16.987 2.469 -4.795 89 3HE MET 12 HE1 MET 12 -16.197 1.104 -4.010 90 H THR 13 HN THR 13 -13.585 -2.057 0.420 91 HA THR 13 HA THR 13 -15.852 -3.672 0.462 92 HB THR 13 HB THR 13 -13.462 -3.934 1.468 93 HG1 THR 13 HG1 THR 13 -14.207 -5.592 2.683 94 1HG2 THR 13 HG21 THR 13 -14.198 -1.908 3.082 95 2HG2 THR 13 HG23 THR 13 -14.653 -3.275 4.097 96 3HG2 THR 13 HG22 THR 13 -12.991 -3.108 3.532 97 H CYS 14 HN CYS 14 -15.220 -0.687 2.151 98 HA CYS 14 HA CYS 14 -17.583 0.469 2.596 99 1HB CYS 14 HB2 CYS 14 -18.672 -1.544 3.331 100 2HB CYS 14 HB1 CYS 14 -17.363 -1.918 4.452 101 HG CYS 14 HG CYS 14 -19.037 0.659 4.965 102 H ALA 15 HN ALA 15 -15.046 -0.931 4.584 103 HA ALA 15 HA ALA 15 -13.919 1.602 5.381 104 1HB ALA 15 HB3 ALA 15 -16.251 1.198 6.614 105 2HB ALA 15 HB2 ALA 15 -15.248 0.210 7.676 106 3HB ALA 15 HB1 ALA 15 -14.891 1.925 7.468 107 H ALA 16 HN ALA 16 -13.221 -1.152 4.481 108 HA ALA 16 HA ALA 16 -11.301 -1.861 6.665 109 1HB ALA 16 HB3 ALA 16 -13.463 -3.350 5.531 110 2HB ALA 16 HB2 ALA 16 -11.959 -4.127 5.040 111 3HB ALA 16 HB1 ALA 16 -12.307 -3.880 6.751 112 H CYS 17 HN CYS 17 -11.926 -1.478 3.216 113 HA CYS 17 HA CYS 17 -9.771 -2.659 1.945 114 1HB CYS 17 HB2 CYS 17 -11.494 -0.338 1.609 115 2HB CYS 17 HB1 CYS 17 -9.917 -0.115 0.847 116 HG CYS 17 HG CYS 17 -10.727 -1.614 -0.939 117 HA PRO 18 HA PRO 18 -6.864 1.001 3.111 118 1HB PRO 18 HB2 PRO 18 -7.862 2.565 5.238 119 2HB PRO 18 HB1 PRO 18 -7.836 2.996 3.526 120 1HG PRO 18 HG2 PRO 18 -10.122 2.375 5.168 121 2HG PRO 18 HG1 PRO 18 -10.095 2.874 3.474 122 1HD PRO 18 HD2 PRO 18 -10.579 0.223 4.577 123 2HD PRO 18 HD1 PRO 18 -10.720 0.760 2.890 124 H ILE 19 HN ILE 19 -8.509 -0.786 5.644 125 HA ILE 19 HA ILE 19 -6.295 -0.440 7.574 126 HB ILE 19 HB ILE 19 -8.940 -1.897 7.468 127 1HG1 ILE 19 HG12 ILE 19 -8.718 0.588 8.000 128 2HG1 ILE 19 HG11 ILE 19 -9.543 -0.377 9.223 129 1HG2 ILE 19 HG21 ILE 19 -6.598 -2.463 9.184 130 2HG2 ILE 19 HG23 ILE 19 -8.116 -2.236 10.051 131 3HG2 ILE 19 HG22 ILE 19 -7.989 -3.479 8.807 132 1HD1 ILE 19 HD11 ILE 19 -6.673 -0.365 9.668 133 2HD1 ILE 19 HD13 ILE 19 -7.318 1.276 9.631 134 3HD1 ILE 19 HD12 ILE 19 -7.972 0.097 10.767 135 H THR 20 HN THR 20 -7.679 -2.978 5.539 136 HA THR 20 HA THR 20 -5.818 -5.053 6.257 137 HB THR 20 HB THR 20 -7.982 -4.436 4.322 138 HG1 THR 20 HG1 THR 20 -8.435 -5.619 6.137 139 1HG2 THR 20 HG21 THR 20 -6.166 -5.191 2.812 140 2HG2 THR 20 HG23 THR 20 -6.026 -6.672 3.758 141 3HG2 THR 20 HG22 THR 20 -7.510 -6.332 2.868 142 H VAL 21 HN VAL 21 -6.021 -2.555 3.755 143 HA VAL 21 HA VAL 21 -3.781 -3.386 2.200 144 HB VAL 21 HB VAL 21 -5.246 -0.793 2.719 145 1HG1 VAL 21 HG13 VAL 21 -2.840 -1.309 0.983 146 2HG1 VAL 21 HG12 VAL 21 -3.998 -0.046 0.577 147 3HG1 VAL 21 HG11 VAL 21 -3.119 0.022 2.104 148 1HG2 VAL 21 HG23 VAL 21 -6.091 -2.903 1.352 149 2HG2 VAL 21 HG22 VAL 21 -6.392 -1.270 0.757 150 3HG2 VAL 21 HG21 VAL 21 -5.065 -2.219 0.095 151 H LYS 22 HN LYS 22 -4.159 -1.089 4.886 152 HA LYS 22 HA LYS 22 -1.550 -0.081 5.104 153 1HB LYS 22 HB2 LYS 22 -3.525 0.604 6.432 154 2HB LYS 22 HB1 LYS 22 -3.467 -0.930 7.301 155 1HG LYS 22 HG2 LYS 22 -1.194 -0.378 8.110 156 2HG LYS 22 HG1 LYS 22 -1.279 1.170 7.268 157 1HD LYS 22 HD2 LYS 22 -3.465 1.539 8.623 158 2HD LYS 22 HD1 LYS 22 -2.863 0.240 9.656 159 1HE LYS 22 HE2 LYS 22 -0.704 1.535 9.897 160 2HE LYS 22 HE1 LYS 22 -1.497 2.884 9.059 161 1HZ LYS 22 HZ1 LYS 22 -3.352 2.605 10.707 162 2HZ LYS 22 HZ3 LYS 22 -2.328 1.582 11.592 163 3HZ LYS 22 HZ2 LYS 22 -1.901 3.209 11.351 164 H LYS 23 HN LYS 23 -2.843 -3.106 6.526 165 HA LYS 23 HA LYS 23 -0.277 -3.845 7.669 166 1HB LYS 23 HB2 LYS 23 -2.977 -5.086 7.270 167 2HB LYS 23 HB1 LYS 23 -1.636 -6.098 7.808 168 1HG LYS 23 HG2 LYS 23 -1.260 -4.679 9.738 169 2HG LYS 23 HG1 LYS 23 -2.455 -3.514 9.166 170 1HD LYS 23 HD2 LYS 23 -3.485 -6.261 9.367 171 2HD LYS 23 HD1 LYS 23 -2.983 -5.577 10.913 172 1HE LYS 23 HE2 LYS 23 -4.356 -3.476 9.699 173 2HE LYS 23 HE1 LYS 23 -5.315 -4.911 9.283 174 1HZ LYS 23 HZ3 LYS 23 -4.900 -5.573 11.710 175 2HZ LYS 23 HZ2 LYS 23 -4.514 -3.937 11.955 176 3HZ LYS 23 HZ1 LYS 23 -6.061 -4.374 11.404 177 H ALA 24 HN ALA 24 -1.733 -4.251 4.560 178 HA ALA 24 HA ALA 24 -0.323 -6.590 3.702 179 1HB ALA 24 HB1 ALA 24 -2.411 -5.169 2.818 180 2HB ALA 24 HB3 ALA 24 -1.161 -4.450 1.803 181 3HB ALA 24 HB2 ALA 24 -1.462 -6.186 1.735 182 H LEU 25 HN LEU 25 0.206 -3.122 3.012 183 HA LEU 25 HA LEU 25 2.727 -3.555 1.667 184 1HB LEU 25 HB2 LEU 25 1.453 -1.136 2.976 185 2HB LEU 25 HB1 LEU 25 2.779 -1.089 1.809 186 HG LEU 25 HG LEU 25 1.000 -2.663 0.489 187 1HD1 LEU 25 HD12 LEU 25 -0.485 -1.154 2.503 188 2HD1 LEU 25 HD11 LEU 25 -1.063 -0.898 0.858 189 3HD1 LEU 25 HD13 LEU 25 -0.992 -2.530 1.520 190 1HD2 LEU 25 HD22 LEU 25 1.983 0.037 0.395 191 2HD2 LEU 25 HD21 LEU 25 1.502 -1.014 -0.937 192 3HD2 LEU 25 HD23 LEU 25 0.302 0.000 -0.141 193 H SER 26 HN SER 26 1.754 -2.904 4.982 194 HA SER 26 HA SER 26 4.373 -2.206 5.996 195 1HB SER 26 HB2 SER 26 2.075 -1.818 7.034 196 2HB SER 26 HB1 SER 26 2.039 -3.534 7.424 197 HG SER 26 HG SER 26 4.193 -1.852 8.157 198 H LYS 27 HN LYS 27 2.764 -5.193 5.146 199 HA LYS 27 HA LYS 27 4.983 -6.722 6.414 200 1HB LYS 27 HB2 LYS 27 3.409 -8.596 6.409 201 2HB LYS 27 HB1 LYS 27 2.634 -7.188 7.134 202 1HG LYS 27 HG2 LYS 27 1.002 -7.985 5.637 203 2HG LYS 27 HG1 LYS 27 1.787 -6.697 4.729 204 1HD LYS 27 HD2 LYS 27 2.767 -8.132 3.256 205 2HD LYS 27 HD1 LYS 27 3.010 -9.380 4.479 206 1HE LYS 27 HE2 LYS 27 0.531 -9.836 4.421 207 2HE LYS 27 HE1 LYS 27 0.412 -8.714 3.051 208 1HZ LYS 27 HZ3 LYS 27 2.322 -10.983 3.134 209 2HZ LYS 27 HZ2 LYS 27 0.783 -11.096 2.424 210 3HZ LYS 27 HZ1 LYS 27 1.931 -10.010 1.801 211 H VAL 28 HN VAL 28 4.185 -5.433 3.487 212 HA VAL 28 HA VAL 28 4.318 -7.450 1.555 213 HB VAL 28 HB VAL 28 3.973 -5.085 1.059 214 1HG1 VAL 28 HG13 VAL 28 5.858 -4.501 2.844 215 2HG1 VAL 28 HG12 VAL 28 6.879 -4.479 1.408 216 3HG1 VAL 28 HG11 VAL 28 5.488 -3.400 1.518 217 1HG2 VAL 28 HG22 VAL 28 6.404 -6.366 -0.198 218 2HG2 VAL 28 HG21 VAL 28 4.763 -6.280 -0.838 219 3HG2 VAL 28 HG23 VAL 28 5.762 -4.828 -0.773 220 H GLU 29 HN GLU 29 7.160 -5.782 3.024 221 HA GLU 29 HA GLU 29 8.751 -8.091 3.328 222 1HB GLU 29 HB2 GLU 29 8.435 -7.081 0.597 223 2HB GLU 29 HB1 GLU 29 10.126 -7.219 1.079 224 1HG GLU 29 HG2 GLU 29 8.520 -9.507 1.937 225 2HG GLU 29 HG1 GLU 29 8.528 -9.301 0.186 226 H GLY 30 HN GLY 30 9.808 -5.180 1.556 227 1HA GLY 30 HA2 GLY 30 11.671 -4.597 3.781 228 2HA GLY 30 HA1 GLY 30 11.732 -3.878 2.173 229 H VAL 31 HN VAL 31 8.558 -3.722 3.016 230 HA VAL 31 HA VAL 31 8.283 -0.963 3.193 231 HB VAL 31 HB VAL 31 6.419 -2.535 3.077 232 1HG1 VAL 31 HG13 VAL 31 7.720 -4.018 4.891 233 2HG1 VAL 31 HG12 VAL 31 6.632 -3.165 5.985 234 3HG1 VAL 31 HG11 VAL 31 5.974 -4.142 4.672 235 1HG2 VAL 31 HG23 VAL 31 6.258 -0.201 4.235 236 2HG2 VAL 31 HG22 VAL 31 4.917 -1.326 4.434 237 3HG2 VAL 31 HG21 VAL 31 6.101 -1.130 5.725 238 H SER 32 HN SER 32 8.506 0.557 4.699 239 HA SER 32 HA SER 32 9.627 -0.225 7.362 240 1HB SER 32 HB2 SER 32 11.237 0.900 5.872 241 2HB SER 32 HB1 SER 32 10.101 2.222 5.628 242 HG SER 32 HG SER 32 10.197 2.349 8.049 243 H LYS 33 HN LYS 33 7.113 1.312 5.651 244 HA LYS 33 HA LYS 33 5.789 2.073 8.166 245 1HB LYS 33 HB2 LYS 33 6.662 4.166 8.128 246 2HB LYS 33 HB1 LYS 33 7.323 3.931 6.515 247 1HG LYS 33 HG2 LYS 33 5.209 4.539 5.495 248 2HG LYS 33 HG1 LYS 33 4.414 4.581 7.068 249 1HD LYS 33 HD2 LYS 33 5.921 6.427 7.761 250 2HD LYS 33 HD1 LYS 33 6.653 6.410 6.155 251 1HE LYS 33 HE2 LYS 33 4.269 6.756 5.241 252 2HE LYS 33 HE1 LYS 33 3.825 7.176 6.907 253 1HZ LYS 33 HZ1 LYS 33 5.750 8.722 6.910 254 2HZ LYS 33 HZ3 LYS 33 5.947 8.430 5.251 255 3HZ LYS 33 HZ2 LYS 33 4.525 9.167 5.819 256 H VAL 34 HN VAL 34 3.518 2.909 7.663 257 HA VAL 34 HA VAL 34 2.499 2.455 4.941 258 HB VAL 34 HB VAL 34 2.830 0.195 5.824 259 1HG1 VAL 34 HG12 VAL 34 2.099 1.412 8.255 260 2HG1 VAL 34 HG11 VAL 34 0.808 0.265 7.899 261 3HG1 VAL 34 HG13 VAL 34 2.479 -0.290 7.998 262 1HG2 VAL 34 HG21 VAL 34 0.425 1.262 4.840 263 2HG2 VAL 34 HG23 VAL 34 0.896 -0.436 4.844 264 3HG2 VAL 34 HG22 VAL 34 -0.053 0.219 6.178 265 H ASP 35 HN ASP 35 0.260 3.101 4.727 266 HA ASP 35 HA ASP 35 -1.308 3.892 7.066 267 1HB ASP 35 HB2 ASP 35 0.519 5.742 5.737 268 2HB ASP 35 HB1 ASP 35 -1.145 6.328 5.700 269 H VAL 36 HN VAL 36 -3.397 5.042 6.220 270 HA VAL 36 HA VAL 36 -3.955 4.500 3.360 271 HB VAL 36 HB VAL 36 -6.009 3.152 4.191 272 1HG1 VAL 36 HG12 VAL 36 -3.535 2.427 3.295 273 2HG1 VAL 36 HG11 VAL 36 -3.593 1.581 4.841 274 3HG1 VAL 36 HG13 VAL 36 -4.838 1.286 3.628 275 1HG2 VAL 36 HG22 VAL 36 -5.204 3.932 6.646 276 2HG2 VAL 36 HG21 VAL 36 -6.076 2.425 6.373 277 3HG2 VAL 36 HG23 VAL 36 -4.320 2.410 6.530 278 H GLY 37 HN GLY 37 -6.151 5.281 2.741 279 1HA GLY 37 HA2 GLY 37 -7.531 7.044 4.637 280 2HA GLY 37 HA1 GLY 37 -6.746 7.872 3.296 281 H PHE 38 HN PHE 38 -9.599 6.387 4.273 282 HA PHE 38 HA PHE 38 -10.524 5.206 1.819 283 1HB PHE 38 HB2 PHE 38 -11.373 5.490 4.438 284 2HB PHE 38 HB1 PHE 38 -12.526 6.486 3.549 285 HD1 PHE 38 HD1 PHE 38 -13.456 5.401 1.316 286 HD2 PHE 38 HD2 PHE 38 -11.771 3.191 4.590 287 HE1 PHE 38 HE1 PHE 38 -14.637 3.361 0.546 288 HE2 PHE 38 HE2 PHE 38 -12.950 1.150 3.819 289 HZ PHE 38 HZ PHE 38 -14.394 1.236 1.802 290 H GLU 39 HN GLU 39 -10.132 8.498 2.842 291 HA GLU 39 HA GLU 39 -12.116 9.872 1.380 292 1HB GLU 39 HB2 GLU 39 -9.221 10.443 2.059 293 2HB GLU 39 HB1 GLU 39 -10.244 11.644 1.269 294 1HG GLU 39 HG2 GLU 39 -11.886 10.875 3.289 295 2HG GLU 39 HG1 GLU 39 -10.317 10.642 4.058 296 H LYS 40 HN LYS 40 -8.748 9.371 0.259 297 HA LYS 40 HA LYS 40 -9.699 9.551 -2.549 298 1HB LYS 40 HB2 LYS 40 -7.294 10.163 -1.014 299 2HB LYS 40 HB1 LYS 40 -6.918 9.242 -2.471 300 1HG LYS 40 HG2 LYS 40 -7.040 11.224 -3.562 301 2HG LYS 40 HG1 LYS 40 -8.787 11.073 -3.373 302 1HD LYS 40 HD2 LYS 40 -8.859 12.783 -1.902 303 2HD LYS 40 HD1 LYS 40 -7.537 12.102 -0.952 304 1HE LYS 40 HE2 LYS 40 -6.832 14.275 -1.834 305 2HE LYS 40 HE1 LYS 40 -5.930 13.006 -2.687 306 1HZ LYS 40 HZ3 LYS 40 -8.153 13.110 -4.146 307 2HZ LYS 40 HZ2 LYS 40 -8.059 14.734 -3.657 308 3HZ LYS 40 HZ1 LYS 40 -6.769 14.023 -4.503 309 H ARG 41 HN ARG 41 -10.017 7.199 -0.631 310 HA ARG 41 HA ARG 41 -9.633 4.865 -0.600 311 1HB ARG 41 HB2 ARG 41 -10.611 5.898 -3.158 312 2HB ARG 41 HB1 ARG 41 -9.870 4.302 -3.305 313 1HG ARG 41 HG2 ARG 41 -11.540 4.482 -0.934 314 2HG ARG 41 HG1 ARG 41 -12.455 4.850 -2.393 315 1HD ARG 41 HD2 ARG 41 -12.535 2.642 -2.864 316 2HD ARG 41 HD1 ARG 41 -10.765 2.599 -2.954 317 HE ARG 41 HE ARG 41 -12.475 1.752 -0.723 318 1HH1 ARG 41 HH21 ARG 41 -9.405 3.025 -1.572 319 2HH1 ARG 41 HH22 ARG 41 -8.738 2.826 0.014 320 1HH2 ARG 41 HH11 ARG 41 -11.643 1.496 1.349 321 2HH2 ARG 41 HH12 ARG 41 -10.005 1.961 1.666 322 H GLU 42 HN GLU 42 -7.162 5.741 -0.267 323 HA GLU 42 HA GLU 42 -5.568 4.070 -2.142 324 1HB GLU 42 HB2 GLU 42 -3.981 5.948 -2.451 325 2HB GLU 42 HB1 GLU 42 -5.598 6.397 -2.994 326 1HG GLU 42 HG2 GLU 42 -6.029 7.604 -0.947 327 2HG GLU 42 HG1 GLU 42 -4.532 7.011 -0.227 328 H ALA 43 HN ALA 43 -3.273 3.759 -1.260 329 HA ALA 43 HA ALA 43 -3.275 4.009 1.733 330 1HB ALA 43 HB1 ALA 43 -2.621 1.712 -0.113 331 2HB ALA 43 HB3 ALA 43 -1.925 1.781 1.506 332 3HB ALA 43 HB2 ALA 43 -3.675 1.721 1.301 333 H VAL 44 HN VAL 44 -1.426 4.987 2.530 334 HA VAL 44 HA VAL 44 0.737 5.558 0.547 335 HB VAL 44 HB VAL 44 -0.576 7.402 1.692 336 1HG1 VAL 44 HG11 VAL 44 -0.470 5.944 3.899 337 2HG1 VAL 44 HG13 VAL 44 1.034 6.828 4.154 338 3HG1 VAL 44 HG12 VAL 44 -0.488 7.705 3.991 339 1HG2 VAL 44 HG23 VAL 44 2.125 7.222 1.091 340 2HG2 VAL 44 HG22 VAL 44 1.263 8.711 1.480 341 3HG2 VAL 44 HG21 VAL 44 2.128 7.836 2.743 342 H VAL 45 HN VAL 45 2.442 4.208 0.757 343 HA VAL 45 HA VAL 45 3.215 3.373 3.528 344 HB VAL 45 HB VAL 45 2.954 1.828 0.947 345 1HG1 VAL 45 HG11 VAL 45 4.900 1.472 3.070 346 2HG1 VAL 45 HG13 VAL 45 3.824 0.079 2.965 347 3HG1 VAL 45 HG12 VAL 45 4.740 0.593 1.549 348 1HG2 VAL 45 HG21 VAL 45 1.173 2.226 2.960 349 2HG2 VAL 45 HG23 VAL 45 1.222 0.756 1.986 350 3HG2 VAL 45 HG22 VAL 45 2.013 0.796 3.561 351 H THR 46 HN THR 46 5.395 3.305 3.943 352 HA THR 46 HA THR 46 7.205 4.406 1.829 353 HB THR 46 HB THR 46 6.979 4.567 4.824 354 HG1 THR 46 HG1 THR 46 6.555 6.521 4.251 355 1HG2 THR 46 HG23 THR 46 9.272 3.732 4.392 356 2HG2 THR 46 HG22 THR 46 9.540 5.080 3.286 357 3HG2 THR 46 HG21 THR 46 9.281 5.386 5.004 358 H PHE 47 HN PHE 47 9.436 3.332 1.839 359 HA PHE 47 HA PHE 47 9.729 0.838 3.308 360 1HB PHE 47 HB2 PHE 47 9.440 -0.650 1.378 361 2HB PHE 47 HB1 PHE 47 7.967 0.280 1.656 362 HD1 PHE 47 HD2 PHE 47 11.091 0.154 -0.423 363 HD2 PHE 47 HD1 PHE 47 7.126 1.771 0.031 364 HE1 PHE 47 HE2 PHE 47 11.209 1.085 -2.705 365 HE2 PHE 47 HE1 PHE 47 7.248 2.700 -2.261 366 HZ PHE 47 HZ PHE 47 9.278 2.357 -3.630 367 H ASP 48 HN ASP 48 11.444 -0.568 2.095 368 HA ASP 48 HA ASP 48 13.673 1.271 1.376 369 1HB ASP 48 HB2 ASP 48 13.336 -1.280 2.859 370 2HB ASP 48 HB1 ASP 48 14.795 -1.162 1.877 371 H ASP 49 HN ASP 49 13.899 1.387 -0.811 372 HA ASP 49 HA ASP 49 12.716 -0.392 -2.675 373 1HB ASP 49 HB2 ASP 49 13.366 1.807 -3.329 374 2HB ASP 49 HB1 ASP 49 15.027 1.554 -2.791 375 H THR 50 HN THR 50 15.426 -0.921 -0.685 376 HA THR 50 HA THR 50 17.042 -2.564 -2.425 377 HB THR 50 HB THR 50 18.165 -3.127 -0.341 378 HG1 THR 50 HG1 THR 50 16.933 -2.100 1.573 379 1HG2 THR 50 HG21 THR 50 17.600 -0.491 -1.182 380 2HG2 THR 50 HG23 THR 50 17.498 -0.477 0.578 381 3HG2 THR 50 HG22 THR 50 18.971 -1.035 -0.215 382 H LYS 51 HN LYS 51 14.220 -3.208 -0.388 383 HA LYS 51 HA LYS 51 14.258 -6.037 -1.378 384 1HB LYS 51 HB2 LYS 51 13.858 -4.942 1.414 385 2HB LYS 51 HB1 LYS 51 13.371 -6.578 0.967 386 1HG LYS 51 HG2 LYS 51 15.796 -6.800 0.044 387 2HG LYS 51 HG1 LYS 51 16.140 -5.398 1.058 388 1HD LYS 51 HD2 LYS 51 14.744 -6.953 2.806 389 2HD LYS 51 HD1 LYS 51 15.547 -8.189 1.837 390 1HE LYS 51 HE2 LYS 51 17.277 -7.807 3.310 391 2HE LYS 51 HE1 LYS 51 17.613 -6.443 2.225 392 1HZ LYS 51 HZ1 LYS 51 15.688 -6.272 4.472 393 2HZ LYS 51 HZ3 LYS 51 17.322 -5.850 4.640 394 3HZ LYS 51 HZ2 LYS 51 16.333 -4.997 3.553 395 H ALA 52 HN ALA 52 12.673 -3.370 -1.888 396 HA ALA 52 HA ALA 52 10.116 -4.644 -2.396 397 1HB ALA 52 HB3 ALA 52 10.407 -4.008 0.187 398 2HB ALA 52 HB2 ALA 52 9.903 -2.424 -0.402 399 3HB ALA 52 HB1 ALA 52 8.857 -3.825 -0.634 400 H SER 53 HN SER 53 8.459 -2.753 -2.963 401 HA SER 53 HA SER 53 9.372 -0.158 -3.707 402 1HB SER 53 HB2 SER 53 10.402 -0.482 -5.722 403 2HB SER 53 HB1 SER 53 10.608 -2.140 -5.164 404 HG SER 53 HG SER 53 8.967 -2.774 -6.396 405 H VAL 54 HN VAL 54 7.809 0.805 -5.422 406 HA VAL 54 HA VAL 54 5.145 0.590 -4.748 407 HB VAL 54 HB VAL 54 6.632 1.226 -7.280 408 1HG1 VAL 54 HG11 VAL 54 3.624 1.018 -6.997 409 2HG1 VAL 54 HG13 VAL 54 4.403 1.997 -8.241 410 3HG1 VAL 54 HG12 VAL 54 4.646 0.250 -8.211 411 1HG2 VAL 54 HG21 VAL 54 5.102 2.659 -5.139 412 2HG2 VAL 54 HG23 VAL 54 6.679 3.040 -5.832 413 3HG2 VAL 54 HG22 VAL 54 5.208 3.399 -6.736 414 H GLN 55 HN GLN 55 6.956 -1.558 -6.908 415 HA GLN 55 HA GLN 55 4.799 -3.031 -8.027 416 1HB GLN 55 HB2 GLN 55 7.294 -3.053 -8.571 417 2HB GLN 55 HB1 GLN 55 7.502 -4.108 -7.174 418 1HG GLN 55 HG2 GLN 55 5.688 -5.592 -8.237 419 2HG GLN 55 HG1 GLN 55 5.949 -4.651 -9.707 420 1HE2 GLN 55 HE22 GLN 55 9.505 -5.782 -9.775 421 2HE2 GLN 55 HE21 GLN 55 8.719 -4.279 -9.694 422 H LYS 56 HN LYS 56 6.725 -3.717 -5.082 423 HA LYS 56 HA LYS 56 5.038 -5.952 -4.302 424 1HB LYS 56 HB2 LYS 56 7.073 -4.336 -2.733 425 2HB LYS 56 HB1 LYS 56 6.513 -5.964 -2.353 426 1HG LYS 56 HG2 LYS 56 8.027 -5.142 -4.845 427 2HG LYS 56 HG1 LYS 56 8.671 -6.084 -3.499 428 1HD LYS 56 HD2 LYS 56 6.518 -7.589 -4.051 429 2HD LYS 56 HD1 LYS 56 6.783 -6.904 -5.655 430 1HE LYS 56 HE2 LYS 56 9.225 -7.889 -4.281 431 2HE LYS 56 HE1 LYS 56 8.066 -9.134 -4.786 432 1HZ LYS 56 HZ1 LYS 56 7.961 -8.050 -6.973 433 2HZ LYS 56 HZ3 LYS 56 9.167 -6.960 -6.488 434 3HZ LYS 56 HZ2 LYS 56 9.524 -8.616 -6.619 435 H LEU 57 HN LEU 57 4.874 -2.481 -3.759 436 HA LEU 57 HA LEU 57 3.323 -2.600 -1.311 437 1HB LEU 57 HB2 LEU 57 3.437 -0.515 -3.519 438 2HB LEU 57 HB1 LEU 57 2.869 -0.243 -1.877 439 HG LEU 57 HG LEU 57 5.684 -1.015 -2.683 440 1HD1 LEU 57 HD11 LEU 57 4.369 1.449 -2.686 441 2HD1 LEU 57 HD13 LEU 57 5.292 1.444 -1.184 442 3HD1 LEU 57 HD12 LEU 57 6.114 1.194 -2.726 443 1HD2 LEU 57 HD21 LEU 57 4.326 -0.688 -0.002 444 2HD2 LEU 57 HD23 LEU 57 5.392 -1.985 -0.543 445 3HD2 LEU 57 HD22 LEU 57 6.056 -0.393 -0.177 446 H THR 58 HN THR 58 2.382 -1.822 -4.677 447 HA THR 58 HA THR 58 -0.428 -2.028 -4.310 448 HB THR 58 HB THR 58 1.320 -2.599 -6.731 449 HG1 THR 58 HG1 THR 58 0.535 -0.318 -7.096 450 1HG2 THR 58 HG22 THR 58 -1.230 -3.248 -6.680 451 2HG2 THR 58 HG21 THR 58 -1.473 -1.509 -6.844 452 3HG2 THR 58 HG23 THR 58 -0.570 -2.392 -8.074 453 H LYS 59 HN LYS 59 2.062 -4.459 -4.738 454 HA LYS 59 HA LYS 59 0.264 -6.623 -5.386 455 1HB LYS 59 HB2 LYS 59 2.605 -6.625 -6.068 456 2HB LYS 59 HB1 LYS 59 3.123 -6.469 -4.389 457 1HG LYS 59 HG2 LYS 59 2.479 -8.662 -3.853 458 2HG LYS 59 HG1 LYS 59 1.401 -8.785 -5.245 459 1HD LYS 59 HD2 LYS 59 3.296 -8.832 -6.770 460 2HD LYS 59 HD1 LYS 59 4.418 -8.562 -5.436 461 1HE LYS 59 HE2 LYS 59 3.454 -10.724 -4.406 462 2HE LYS 59 HE1 LYS 59 2.764 -11.029 -6.013 463 1HZ LYS 59 HZ3 LYS 59 5.074 -10.468 -6.872 464 2HZ LYS 59 HZ2 LYS 59 5.608 -10.681 -5.273 465 3HZ LYS 59 HZ1 LYS 59 4.886 -11.971 -6.110 466 H ALA 60 HN ALA 60 1.576 -5.189 -2.469 467 HA ALA 60 HA ALA 60 0.901 -7.322 -0.674 468 1HB ALA 60 HB2 ALA 60 2.251 -4.879 -0.640 469 2HB ALA 60 HB1 ALA 60 0.871 -4.616 0.427 470 3HB ALA 60 HB3 ALA 60 1.998 -5.933 0.751 471 H THR 61 HN THR 61 -0.674 -4.206 -1.445 472 HA THR 61 HA THR 61 -3.057 -4.741 0.094 473 HB THR 61 HB THR 61 -2.687 -2.465 -0.458 474 HG1 THR 61 HG1 THR 61 -4.312 -2.158 -2.295 475 1HG2 THR 61 HG21 THR 61 -2.009 -3.530 -3.192 476 2HG2 THR 61 HG23 THR 61 -2.420 -1.832 -2.962 477 3HG2 THR 61 HG22 THR 61 -1.029 -2.524 -2.128 478 H ALA 62 HN ALA 62 -1.952 -5.368 -3.113 479 HA ALA 62 HA ALA 62 -4.417 -6.240 -4.289 480 1HB ALA 62 HB3 ALA 62 -1.478 -6.597 -4.788 481 2HB ALA 62 HB2 ALA 62 -2.627 -7.537 -5.738 482 3HB ALA 62 HB1 ALA 62 -2.676 -5.774 -5.784 483 H ASP 63 HN ASP 63 -1.994 -7.784 -2.261 484 HA ASP 63 HA ASP 63 -3.229 -10.454 -2.551 485 1HB ASP 63 HB2 ASP 63 -0.706 -9.760 -2.274 486 2HB ASP 63 HB1 ASP 63 -1.112 -9.656 -0.561 487 H ALA 64 HN ALA 64 -3.655 -7.634 -0.697 488 HA ALA 64 HA ALA 64 -4.545 -8.901 1.783 489 1HB ALA 64 HB3 ALA 64 -3.649 -6.440 1.073 490 2HB ALA 64 HB2 ALA 64 -5.387 -6.152 0.991 491 3HB ALA 64 HB1 ALA 64 -4.655 -6.706 2.497 492 H GLY 65 HN GLY 65 -5.888 -7.910 -1.286 493 1HA GLY 65 HA2 GLY 65 -8.000 -9.375 -1.717 494 2HA GLY 65 HA1 GLY 65 -8.626 -8.545 -0.297 495 H TYR 66 HN TYR 66 -6.603 -6.728 -2.532 496 HA TYR 66 HA TYR 66 -9.024 -5.597 -3.851 497 1HB TYR 66 HB2 TYR 66 -6.975 -3.953 -2.349 498 2HB TYR 66 HB1 TYR 66 -8.464 -3.372 -3.087 499 HD1 TYR 66 HD1 TYR 66 -10.644 -4.654 -2.282 500 HD2 TYR 66 HD2 TYR 66 -6.952 -4.374 -0.128 501 HE1 TYR 66 HE1 TYR 66 -11.852 -5.081 -0.176 502 HE2 TYR 66 HE2 TYR 66 -8.147 -4.789 1.985 503 HH TYR 66 HH TYR 66 -11.151 -6.084 2.180 504 HA PRO 67 HA PRO 67 -5.761 -5.841 -7.042 505 1HB PRO 67 HB2 PRO 67 -7.789 -4.797 -8.828 506 2HB PRO 67 HB1 PRO 67 -7.102 -6.425 -8.800 507 1HG PRO 67 HG2 PRO 67 -9.726 -5.612 -7.972 508 2HG PRO 67 HG1 PRO 67 -9.030 -7.235 -7.930 509 1HD PRO 67 HD2 PRO 67 -9.615 -5.525 -5.692 510 2HD PRO 67 HD1 PRO 67 -8.840 -7.129 -5.657 511 H SER 68 HN SER 68 -4.572 -4.025 -6.250 512 HA SER 68 HA SER 68 -5.806 -1.337 -6.628 513 1HB SER 68 HB2 SER 68 -4.268 -0.675 -4.882 514 2HB SER 68 HB1 SER 68 -5.022 -2.190 -4.394 515 HG SER 68 HG SER 68 -2.423 -1.625 -4.859 516 H SER 69 HN SER 69 -3.623 0.248 -6.598 517 HA SER 69 HA SER 69 -1.719 -0.505 -8.731 518 1HB SER 69 HB2 SER 69 -4.026 1.393 -8.939 519 2HB SER 69 HB1 SER 69 -2.518 1.851 -9.723 520 HG SER 69 HG SER 69 -4.264 0.380 -10.787 521 H VAL 70 HN VAL 70 -0.771 2.147 -9.104 522 HA VAL 70 HA VAL 70 -0.193 3.057 -6.341 523 HB VAL 70 HB VAL 70 1.365 1.323 -7.409 524 1HG1 VAL 70 HG12 VAL 70 1.328 3.034 -9.532 525 2HG1 VAL 70 HG11 VAL 70 2.808 3.550 -8.723 526 3HG1 VAL 70 HG13 VAL 70 2.622 1.873 -9.235 527 1HG2 VAL 70 HG21 VAL 70 1.872 3.649 -5.789 528 2HG2 VAL 70 HG23 VAL 70 2.660 2.073 -5.719 529 3HG2 VAL 70 HG22 VAL 70 3.288 3.326 -6.789 530 H LYS 71 HN LYS 71 0.761 5.224 -6.240 531 HA LYS 71 HA LYS 71 0.292 6.823 -8.736 532 1HB LYS 71 HB2 LYS 71 -0.135 8.120 -6.105 533 2HB LYS 71 HB1 LYS 71 -1.071 8.276 -7.587 534 1HG LYS 71 HG2 LYS 71 -1.822 5.827 -7.089 535 2HG LYS 71 HG1 LYS 71 -1.274 6.173 -5.447 536 1HD LYS 71 HD2 LYS 71 -2.702 8.196 -5.427 537 2HD LYS 71 HD1 LYS 71 -3.301 7.761 -7.028 538 1HE LYS 71 HE2 LYS 71 -3.961 5.491 -5.962 539 2HE LYS 71 HE1 LYS 71 -3.750 6.320 -4.407 540 1HZ LYS 71 HZ3 LYS 71 -5.250 7.664 -6.545 541 2HZ LYS 71 HZ2 LYS 71 -6.028 6.443 -5.655 542 3HZ LYS 71 HZ1 LYS 71 -5.409 7.813 -4.863 543 H GLN 72 HN GLN 72 2.612 5.619 -7.415 544 HA GLN 72 HA GLN 72 4.811 6.214 -6.666 545 1HB GLN 72 HB2 GLN 72 4.009 7.288 -9.170 546 2HB GLN 72 HB1 GLN 72 4.983 8.527 -8.378 547 1HG GLN 72 HG2 GLN 72 6.815 7.377 -9.003 548 2HG GLN 72 HG1 GLN 72 6.326 6.112 -7.876 549 1HE2 GLN 72 HE22 GLN 72 6.374 4.112 -10.854 550 2HE2 GLN 72 HE21 GLN 72 7.296 4.562 -9.502 No H/Q in entry = 550 Start of MODEL 15 1 1H ALA 1 HT3 ALA 1 -17.506 1.593 -2.077 2 2H ALA 1 HT2 ALA 1 -18.459 2.217 -0.817 3 3H ALA 1 HT1 ALA 1 -18.539 2.906 -2.368 4 HA ALA 1 HA ALA 1 -17.161 4.421 -1.366 5 1HB ALA 1 HB2 ALA 1 -17.365 3.012 0.732 6 2HB ALA 1 HB1 ALA 1 -15.967 2.095 0.168 7 3HB ALA 1 HB3 ALA 1 -15.804 3.811 0.541 8 H THR 2 HN THR 2 -15.099 5.095 -2.131 9 HA THR 2 HA THR 2 -13.224 3.176 -3.285 10 HB THR 2 HB THR 2 -13.543 5.027 -5.290 11 HG1 THR 2 HG1 THR 2 -16.124 4.261 -4.438 12 1HG2 THR 2 HG21 THR 2 -13.644 2.310 -5.022 13 2HG2 THR 2 HG23 THR 2 -15.289 2.673 -5.542 14 3HG2 THR 2 HG22 THR 2 -13.920 3.169 -6.537 15 H GLN 3 HN GLN 3 -11.803 4.107 -1.690 16 HA GLN 3 HA GLN 3 -11.277 7.046 -2.004 17 1HB GLN 3 HB2 GLN 3 -11.272 5.098 0.256 18 2HB GLN 3 HB1 GLN 3 -10.173 6.475 0.353 19 1HG GLN 3 HG2 GLN 3 -12.055 8.016 -0.038 20 2HG GLN 3 HG1 GLN 3 -13.160 6.646 -0.145 21 1HE2 GLN 3 HE22 GLN 3 -13.605 7.480 3.334 22 2HE2 GLN 3 HE21 GLN 3 -14.215 7.817 1.786 23 H THR 4 HN THR 4 -8.904 7.459 -0.991 24 HA THR 4 HA THR 4 -6.949 5.560 -2.207 25 HB THR 4 HB THR 4 -7.202 8.537 -2.739 26 HG1 THR 4 HG1 THR 4 -8.545 7.659 -4.125 27 1HG2 THR 4 HG21 THR 4 -4.845 7.717 -2.574 28 2HG2 THR 4 HG23 THR 4 -5.203 6.548 -3.845 29 3HG2 THR 4 HG22 THR 4 -5.270 8.276 -4.191 30 H VAL 5 HN VAL 5 -4.922 5.611 -1.180 31 HA VAL 5 HA VAL 5 -4.297 7.650 0.888 32 HB VAL 5 HB VAL 5 -4.521 4.717 1.565 33 1HG1 VAL 5 HG13 VAL 5 -3.722 7.208 2.950 34 2HG1 VAL 5 HG12 VAL 5 -4.723 6.094 3.881 35 3HG1 VAL 5 HG11 VAL 5 -3.186 5.549 3.212 36 1HG2 VAL 5 HG22 VAL 5 -6.506 6.971 2.012 37 2HG2 VAL 5 HG21 VAL 5 -6.774 5.498 1.080 38 3HG2 VAL 5 HG23 VAL 5 -6.589 5.412 2.832 39 H THR 6 HN THR 6 -2.125 7.162 1.822 40 HA THR 6 HA THR 6 -0.396 5.743 -0.167 41 HB THR 6 HB THR 6 0.246 8.037 -0.042 42 HG1 THR 6 HG1 THR 6 1.806 6.651 1.872 43 1HG2 THR 6 HG21 THR 6 -0.175 7.691 2.926 44 2HG2 THR 6 HG23 THR 6 0.637 9.096 2.236 45 3HG2 THR 6 HG22 THR 6 -1.049 8.766 1.834 46 H LEU 7 HN LEU 7 1.581 4.740 1.013 47 HA LEU 7 HA LEU 7 0.750 3.781 3.712 48 1HB LEU 7 HB2 LEU 7 0.967 2.391 1.170 49 2HB LEU 7 HB1 LEU 7 2.038 1.667 2.373 50 HG LEU 7 HG LEU 7 0.247 1.311 3.891 51 1HD1 LEU 7 HD13 LEU 7 -1.244 3.197 2.110 52 2HD1 LEU 7 HD12 LEU 7 -2.115 2.072 3.152 53 3HD1 LEU 7 HD11 LEU 7 -1.022 3.258 3.854 54 1HD2 LEU 7 HD23 LEU 7 0.288 0.054 1.474 55 2HD2 LEU 7 HD22 LEU 7 -0.838 -0.370 2.762 56 3HD2 LEU 7 HD21 LEU 7 -1.348 0.710 1.465 57 H ALA 8 HN ALA 8 2.559 3.027 4.998 58 HA ALA 8 HA ALA 8 5.127 4.344 4.181 59 1HB ALA 8 HB2 ALA 8 3.630 3.904 6.732 60 2HB ALA 8 HB1 ALA 8 5.388 4.018 6.815 61 3HB ALA 8 HB3 ALA 8 4.448 5.355 6.151 62 H VAL 9 HN VAL 9 6.323 2.694 3.211 63 HA VAL 9 HA VAL 9 6.614 0.132 4.747 64 HB VAL 9 HB VAL 9 5.671 -0.281 2.594 65 1HG1 VAL 9 HG13 VAL 9 7.420 1.988 1.823 66 2HG1 VAL 9 HG12 VAL 9 7.224 0.727 0.605 67 3HG1 VAL 9 HG11 VAL 9 5.808 1.562 1.246 68 1HG2 VAL 9 HG21 VAL 9 8.339 -1.089 3.184 69 2HG2 VAL 9 HG23 VAL 9 7.157 -1.923 2.177 70 3HG2 VAL 9 HG22 VAL 9 8.264 -0.756 1.454 71 HA PRO 10 HA PRO 10 10.715 2.161 5.085 72 1HB PRO 10 HB2 PRO 10 11.086 1.101 7.648 73 2HB PRO 10 HB1 PRO 10 10.435 2.701 7.278 74 1HG PRO 10 HG2 PRO 10 9.050 0.379 8.358 75 2HG PRO 10 HG1 PRO 10 8.472 2.041 8.204 76 1HD PRO 10 HD2 PRO 10 7.770 -0.247 6.572 77 2HD PRO 10 HD1 PRO 10 7.161 1.422 6.447 78 H GLY 11 HN GLY 11 10.501 -0.200 3.560 79 1HA GLY 11 HA2 GLY 11 12.221 -2.219 4.890 80 2HA GLY 11 HA1 GLY 11 11.386 -2.434 3.351 81 H MET 12 HN MET 12 12.356 0.361 2.605 82 HA MET 12 HA MET 12 14.036 1.032 1.057 83 1HB MET 12 HB2 MET 12 16.272 1.072 2.445 84 2HB MET 12 HB1 MET 12 14.905 2.046 2.978 85 1HG MET 12 HG2 MET 12 14.249 0.260 4.553 86 2HG MET 12 HG1 MET 12 15.623 -0.710 4.023 87 1HE MET 12 HE2 MET 12 17.062 -1.114 5.281 88 2HE MET 12 HE1 MET 12 18.278 -0.057 5.994 89 3HE MET 12 HE3 MET 12 16.862 -0.544 6.936 90 H THR 13 HN THR 13 13.477 -1.328 0.125 91 HA THR 13 HA THR 13 15.804 -3.145 0.201 92 HB THR 13 HB THR 13 14.003 -4.091 -1.669 93 HG1 THR 13 HG1 THR 13 12.489 -2.895 0.390 94 1HG2 THR 13 HG21 THR 13 15.012 -5.202 0.379 95 2HG2 THR 13 HG23 THR 13 13.708 -4.471 1.315 96 3HG2 THR 13 HG22 THR 13 13.336 -5.632 0.040 97 H CYS 14 HN CYS 14 15.661 -0.322 -1.101 98 HA CYS 14 HA CYS 14 16.754 0.658 -2.956 99 1HB CYS 14 HB2 CYS 14 18.124 -1.557 -2.446 100 2HB CYS 14 HB1 CYS 14 17.405 -2.093 -3.964 101 HG CYS 14 HG CYS 14 19.291 -0.824 -4.980 102 H ALA 15 HN ALA 15 14.752 1.345 -3.905 103 HA ALA 15 HA ALA 15 13.037 1.365 -5.540 104 1HB ALA 15 HB2 ALA 15 15.553 0.663 -6.609 105 2HB ALA 15 HB1 ALA 15 14.395 -0.426 -7.373 106 3HB ALA 15 HB3 ALA 15 14.176 1.319 -7.495 107 H ALA 16 HN ALA 16 13.013 -0.840 -3.504 108 HA ALA 16 HA ALA 16 11.466 -2.857 -5.104 109 1HB ALA 16 HB1 ALA 16 13.782 -3.084 -3.376 110 2HB ALA 16 HB3 ALA 16 12.450 -4.057 -2.750 111 3HB ALA 16 HB2 ALA 16 13.037 -4.317 -4.393 112 H CYS 17 HN CYS 17 11.912 -1.447 -1.852 113 HA CYS 17 HA CYS 17 9.785 -2.478 -0.465 114 1HB CYS 17 HB2 CYS 17 9.559 0.254 0.144 115 2HB CYS 17 HB1 CYS 17 10.534 -0.937 0.978 116 HG CYS 17 HG CYS 17 11.998 1.155 0.139 117 HA PRO 18 HA PRO 18 6.366 0.465 -2.124 118 1HB PRO 18 HB2 PRO 18 7.171 2.075 -4.268 119 2HB PRO 18 HB1 PRO 18 6.990 2.596 -2.589 120 1HG PRO 18 HG2 PRO 18 9.454 2.040 -4.124 121 2HG PRO 18 HG1 PRO 18 9.225 3.065 -2.703 122 1HD PRO 18 HD2 PRO 18 10.458 0.554 -2.682 123 2HD PRO 18 HD1 PRO 18 9.763 1.377 -1.263 124 H ILE 19 HN ILE 19 8.591 -1.198 -4.192 125 HA ILE 19 HA ILE 19 6.836 -1.347 -6.527 126 HB ILE 19 HB ILE 19 9.474 -2.399 -5.599 127 1HG1 ILE 19 HG12 ILE 19 10.166 -1.557 -7.804 128 2HG1 ILE 19 HG11 ILE 19 8.481 -1.252 -8.227 129 1HG2 ILE 19 HG22 ILE 19 7.790 -3.723 -7.739 130 2HG2 ILE 19 HG21 ILE 19 9.548 -3.866 -7.686 131 3HG2 ILE 19 HG23 ILE 19 8.571 -4.485 -6.354 132 1HD1 ILE 19 HD12 ILE 19 9.273 -0.047 -5.670 133 2HD1 ILE 19 HD11 ILE 19 10.175 0.581 -7.048 134 3HD1 ILE 19 HD13 ILE 19 8.414 0.671 -7.032 135 H THR 20 HN THR 20 7.955 -3.750 -4.138 136 HA THR 20 HA THR 20 6.039 -5.766 -4.895 137 HB THR 20 HB THR 20 8.241 -5.263 -3.055 138 HG1 THR 20 HG1 THR 20 8.543 -6.847 -4.465 139 1HG2 THR 20 HG23 THR 20 6.398 -5.415 -1.374 140 2HG2 THR 20 HG22 THR 20 6.032 -7.028 -1.988 141 3HG2 THR 20 HG21 THR 20 7.591 -6.706 -1.228 142 H VAL 21 HN VAL 21 6.273 -3.309 -2.358 143 HA VAL 21 HA VAL 21 3.926 -3.914 -0.919 144 HB VAL 21 HB VAL 21 5.563 -1.450 -1.496 145 1HG1 VAL 21 HG13 VAL 21 3.213 -0.695 -1.246 146 2HG1 VAL 21 HG12 VAL 21 3.112 -1.555 0.290 147 3HG1 VAL 21 HG11 VAL 21 4.209 -0.185 0.118 148 1HG2 VAL 21 HG22 VAL 21 5.190 -3.408 0.728 149 2HG2 VAL 21 HG21 VAL 21 6.674 -2.688 0.106 150 3HG2 VAL 21 HG23 VAL 21 5.613 -1.751 1.159 151 H LYS 22 HN LYS 22 4.480 -1.861 -3.762 152 HA LYS 22 HA LYS 22 1.899 -0.788 -4.123 153 1HB LYS 22 HB2 LYS 22 3.784 -0.111 -5.446 154 2HB LYS 22 HB1 LYS 22 4.041 -1.750 -6.037 155 1HG LYS 22 HG2 LYS 22 1.614 -1.523 -6.981 156 2HG LYS 22 HG1 LYS 22 1.880 0.209 -6.781 157 1HD LYS 22 HD2 LYS 22 3.991 -0.021 -8.115 158 2HD LYS 22 HD1 LYS 22 3.566 -1.705 -8.418 159 1HE LYS 22 HE2 LYS 22 2.078 -1.125 -10.032 160 2HE LYS 22 HE1 LYS 22 1.351 0.129 -9.006 161 1HZ LYS 22 HZ2 LYS 22 4.050 0.466 -10.161 162 2HZ LYS 22 HZ1 LYS 22 2.666 0.891 -11.049 163 3HZ LYS 22 HZ3 LYS 22 2.992 1.658 -9.571 164 H LYS 23 HN LYS 23 3.203 -3.861 -5.422 165 HA LYS 23 HA LYS 23 0.685 -4.696 -6.572 166 1HB LYS 23 HB2 LYS 23 3.308 -6.007 -5.876 167 2HB LYS 23 HB1 LYS 23 1.989 -6.914 -6.617 168 1HG LYS 23 HG2 LYS 23 1.956 -5.345 -8.507 169 2HG LYS 23 HG1 LYS 23 3.259 -4.413 -7.764 170 1HD LYS 23 HD2 LYS 23 4.196 -5.932 -9.431 171 2HD LYS 23 HD1 LYS 23 4.696 -6.443 -7.818 172 1HE LYS 23 HE2 LYS 23 2.140 -7.628 -8.703 173 2HE LYS 23 HE1 LYS 23 3.550 -8.128 -9.659 174 1HZ LYS 23 HZ3 LYS 23 3.940 -7.947 -6.782 175 2HZ LYS 23 HZ2 LYS 23 2.943 -9.216 -7.310 176 3HZ LYS 23 HZ1 LYS 23 4.536 -9.089 -7.885 177 H ALA 24 HN ALA 24 1.802 -4.688 -3.347 178 HA ALA 24 HA ALA 24 0.463 -7.103 -2.470 179 1HB ALA 24 HB1 ALA 24 2.426 -5.454 -1.515 180 2HB ALA 24 HB3 ALA 24 1.049 -4.944 -0.539 181 3HB ALA 24 HB2 ALA 24 1.566 -6.630 -0.522 182 H LEU 25 HN LEU 25 -0.064 -3.752 -1.548 183 HA LEU 25 HA LEU 25 -2.791 -4.182 -0.750 184 1HB LEU 25 HB2 LEU 25 -2.724 -1.550 -0.891 185 2HB LEU 25 HB1 LEU 25 -1.801 -2.380 0.347 186 HG LEU 25 HG LEU 25 -0.717 -0.486 -1.082 187 1HD1 LEU 25 HD13 LEU 25 0.624 -3.049 -0.320 188 2HD1 LEU 25 HD12 LEU 25 1.506 -1.641 -0.906 189 3HD1 LEU 25 HD11 LEU 25 0.556 -1.535 0.565 190 1HD2 LEU 25 HD22 LEU 25 -1.374 -1.704 -3.218 191 2HD2 LEU 25 HD21 LEU 25 0.240 -1.016 -3.123 192 3HD2 LEU 25 HD23 LEU 25 0.008 -2.744 -2.902 193 H SER 26 HN SER 26 -1.263 -3.846 -3.761 194 HA SER 26 HA SER 26 -3.502 -2.612 -5.213 195 1HB SER 26 HB2 SER 26 -1.338 -2.328 -6.151 196 2HB SER 26 HB1 SER 26 -0.918 -4.018 -5.907 197 HG SER 26 HG SER 26 -2.013 -4.555 -7.660 198 H LYS 27 HN LYS 27 -2.381 -5.860 -4.378 199 HA LYS 27 HA LYS 27 -4.684 -6.992 -5.909 200 1HB LYS 27 HB2 LYS 27 -3.337 -9.032 -5.979 201 2HB LYS 27 HB1 LYS 27 -2.348 -7.675 -6.520 202 1HG LYS 27 HG2 LYS 27 -0.926 -8.738 -4.990 203 2HG LYS 27 HG1 LYS 27 -1.681 -7.495 -3.994 204 1HD LYS 27 HD2 LYS 27 -2.907 -8.987 -2.795 205 2HD LYS 27 HD1 LYS 27 -3.122 -10.073 -4.169 206 1HE LYS 27 HE2 LYS 27 -0.415 -10.263 -3.781 207 2HE LYS 27 HE1 LYS 27 -0.994 -10.054 -2.116 208 1HZ LYS 27 HZ1 LYS 27 -2.849 -11.696 -3.086 209 2HZ LYS 27 HZ3 LYS 27 -1.514 -12.212 -3.997 210 3HZ LYS 27 HZ2 LYS 27 -1.446 -12.245 -2.300 211 H VAL 28 HN VAL 28 -4.092 -5.940 -2.915 212 HA VAL 28 HA VAL 28 -4.438 -8.031 -1.087 213 HB VAL 28 HB VAL 28 -3.998 -5.754 -0.419 214 1HG1 VAL 28 HG13 VAL 28 -5.595 -4.944 -2.389 215 2HG1 VAL 28 HG12 VAL 28 -6.773 -4.861 -1.080 216 3HG1 VAL 28 HG11 VAL 28 -5.284 -3.920 -0.987 217 1HG2 VAL 28 HG21 VAL 28 -6.389 -7.177 0.571 218 2HG2 VAL 28 HG23 VAL 28 -5.010 -6.535 1.464 219 3HG2 VAL 28 HG22 VAL 28 -6.331 -5.466 0.992 220 H GLU 29 HN GLU 29 -7.139 -6.146 -2.600 221 HA GLU 29 HA GLU 29 -8.782 -8.455 -2.969 222 1HB GLU 29 HB2 GLU 29 -8.912 -8.709 -0.642 223 2HB GLU 29 HB1 GLU 29 -8.879 -6.970 -0.355 224 1HG GLU 29 HG2 GLU 29 -11.119 -6.777 -0.559 225 2HG GLU 29 HG1 GLU 29 -11.168 -7.841 -1.965 226 H GLY 30 HN GLY 30 -10.070 -5.548 -1.446 227 1HA GLY 30 HA2 GLY 30 -11.766 -5.011 -3.739 228 2HA GLY 30 HA1 GLY 30 -11.660 -4.025 -2.281 229 H VAL 31 HN VAL 31 -8.580 -4.090 -2.890 230 HA VAL 31 HA VAL 31 -8.140 -1.517 -3.784 231 HB VAL 31 HB VAL 31 -6.366 -2.994 -3.074 232 1HG1 VAL 31 HG11 VAL 31 -7.458 -5.042 -4.122 233 2HG1 VAL 31 HG13 VAL 31 -6.758 -4.526 -5.657 234 3HG1 VAL 31 HG12 VAL 31 -5.706 -4.948 -4.306 235 1HG2 VAL 31 HG23 VAL 31 -6.290 -1.389 -5.414 236 2HG2 VAL 31 HG22 VAL 31 -4.948 -1.797 -4.346 237 3HG2 VAL 31 HG21 VAL 31 -5.306 -2.813 -5.742 238 H SER 32 HN SER 32 -8.109 -0.429 -5.637 239 HA SER 32 HA SER 32 -8.965 -1.865 -8.125 240 1HB SER 32 HB2 SER 32 -9.958 0.613 -6.760 241 2HB SER 32 HB1 SER 32 -10.090 0.497 -8.514 242 HG SER 32 HG SER 32 -10.969 -1.738 -7.879 243 H LYS 33 HN LYS 33 -6.703 0.209 -6.633 244 HA LYS 33 HA LYS 33 -5.290 0.541 -9.209 245 1HB LYS 33 HB2 LYS 33 -6.458 2.471 -9.581 246 2HB LYS 33 HB1 LYS 33 -6.919 2.633 -7.892 247 1HG LYS 33 HG2 LYS 33 -4.855 3.668 -7.318 248 2HG LYS 33 HG1 LYS 33 -4.095 3.163 -8.826 249 1HD LYS 33 HD2 LYS 33 -6.530 4.793 -9.175 250 2HD LYS 33 HD1 LYS 33 -5.183 5.641 -8.415 251 1HE LYS 33 HE2 LYS 33 -3.793 5.383 -10.285 252 2HE LYS 33 HE1 LYS 33 -4.699 3.980 -10.884 253 1HZ LYS 33 HZ3 LYS 33 -6.627 5.797 -10.812 254 2HZ LYS 33 HZ2 LYS 33 -5.307 6.819 -11.127 255 3HZ LYS 33 HZ1 LYS 33 -5.666 5.539 -12.185 256 H VAL 34 HN VAL 34 -3.094 1.592 -8.824 257 HA VAL 34 HA VAL 34 -2.161 1.898 -6.077 258 HB VAL 34 HB VAL 34 -2.580 -0.586 -6.470 259 1HG1 VAL 34 HG12 VAL 34 -1.258 -0.107 -8.838 260 2HG1 VAL 34 HG11 VAL 34 0.012 -0.830 -7.850 261 3HG1 VAL 34 HG13 VAL 34 -1.496 -1.703 -8.126 262 1HG2 VAL 34 HG23 VAL 34 -0.558 0.781 -5.101 263 2HG2 VAL 34 HG22 VAL 34 -1.054 -0.889 -4.839 264 3HG2 VAL 34 HG21 VAL 34 0.279 -0.529 -5.931 265 H ASP 35 HN ASP 35 0.067 2.555 -5.971 266 HA ASP 35 HA ASP 35 1.666 2.700 -8.443 267 1HB ASP 35 HB2 ASP 35 -0.151 4.717 -7.881 268 2HB ASP 35 HB1 ASP 35 1.352 5.347 -7.206 269 H VAL 36 HN VAL 36 3.815 3.904 -7.873 270 HA VAL 36 HA VAL 36 4.561 3.151 -5.070 271 HB VAL 36 HB VAL 36 6.906 3.188 -6.188 272 1HG1 VAL 36 HG12 VAL 36 4.855 1.242 -6.000 273 2HG1 VAL 36 HG11 VAL 36 5.626 1.017 -7.568 274 3HG1 VAL 36 HG13 VAL 36 6.592 0.967 -6.094 275 1HG2 VAL 36 HG21 VAL 36 5.642 4.347 -8.258 276 2HG2 VAL 36 HG23 VAL 36 7.066 3.330 -8.480 277 3HG2 VAL 36 HG22 VAL 36 5.455 2.660 -8.739 278 H GLY 37 HN GLY 37 5.872 4.584 -3.855 279 1HA GLY 37 HA2 GLY 37 6.372 7.286 -4.977 280 2HA GLY 37 HA1 GLY 37 5.413 7.166 -3.502 281 H PHE 38 HN PHE 38 8.497 5.866 -4.790 282 HA PHE 38 HA PHE 38 9.703 5.304 -2.290 283 1HB PHE 38 HB2 PHE 38 10.332 5.161 -4.979 284 2HB PHE 38 HB1 PHE 38 11.495 6.341 -4.374 285 HD1 PHE 38 HD2 PHE 38 12.554 5.676 -1.988 286 HD2 PHE 38 HD1 PHE 38 10.919 2.915 -4.843 287 HE1 PHE 38 HE2 PHE 38 13.884 3.843 -0.978 288 HE2 PHE 38 HE1 PHE 38 12.243 1.082 -3.829 289 HZ PHE 38 HZ PHE 38 13.732 1.545 -1.901 290 H GLU 39 HN GLU 39 8.963 8.356 -3.725 291 HA GLU 39 HA GLU 39 10.941 10.117 -2.881 292 1HB GLU 39 HB2 GLU 39 8.703 10.552 -4.030 293 2HB GLU 39 HB1 GLU 39 7.970 10.515 -2.426 294 1HG GLU 39 HG2 GLU 39 10.215 12.208 -2.201 295 2HG GLU 39 HG1 GLU 39 9.417 12.665 -3.707 296 H LYS 40 HN LYS 40 8.557 8.411 -0.921 297 HA LYS 40 HA LYS 40 10.076 9.168 1.529 298 1HB LYS 40 HB2 LYS 40 7.646 10.307 0.736 299 2HB LYS 40 HB1 LYS 40 7.184 9.090 1.926 300 1HG LYS 40 HG2 LYS 40 9.388 11.113 2.399 301 2HG LYS 40 HG1 LYS 40 7.714 11.375 2.892 302 1HD LYS 40 HD2 LYS 40 7.801 9.767 4.544 303 2HD LYS 40 HD1 LYS 40 9.001 8.800 3.688 304 1HE LYS 40 HE2 LYS 40 9.982 11.472 4.471 305 2HE LYS 40 HE1 LYS 40 9.571 10.424 5.842 306 1HZ LYS 40 HZ1 LYS 40 10.789 8.756 4.044 307 2HZ LYS 40 HZ3 LYS 40 11.713 10.175 3.957 308 3HZ LYS 40 HZ2 LYS 40 11.495 9.394 5.449 309 H ARG 41 HN ARG 41 10.084 6.703 0.045 310 HA ARG 41 HA ARG 41 9.640 4.386 0.290 311 1HB ARG 41 HB2 ARG 41 10.699 5.651 2.589 312 2HB ARG 41 HB1 ARG 41 9.507 4.488 3.171 313 1HG ARG 41 HG2 ARG 41 11.236 3.012 2.961 314 2HG ARG 41 HG1 ARG 41 10.743 3.000 1.267 315 1HD ARG 41 HD2 ARG 41 13.195 3.391 1.506 316 2HD ARG 41 HD1 ARG 41 12.387 4.792 0.777 317 HE ARG 41 HE ARG 41 12.261 5.234 3.536 318 1HH1 ARG 41 HH21 ARG 41 14.702 4.659 1.162 319 2HH1 ARG 41 HH22 ARG 41 15.910 5.580 1.993 320 1HH2 ARG 41 HH11 ARG 41 13.830 6.434 4.631 321 2HH2 ARG 41 HH12 ARG 41 15.419 6.578 3.958 322 H GLU 42 HN GLU 42 7.252 5.431 -0.371 323 HA GLU 42 HA GLU 42 5.373 4.075 1.505 324 1HB GLU 42 HB2 GLU 42 3.873 6.119 1.190 325 2HB GLU 42 HB1 GLU 42 5.327 6.395 2.150 326 1HG GLU 42 HG2 GLU 42 6.483 7.280 0.162 327 2HG GLU 42 HG1 GLU 42 5.036 7.001 -0.808 328 H ALA 43 HN ALA 43 3.143 3.826 0.409 329 HA ALA 43 HA ALA 43 3.463 3.644 -2.576 330 1HB ALA 43 HB1 ALA 43 2.346 1.666 -0.565 331 2HB ALA 43 HB3 ALA 43 2.140 1.492 -2.308 332 3HB ALA 43 HB2 ALA 43 3.756 1.449 -1.602 333 H VAL 44 HN VAL 44 1.654 4.423 -3.717 334 HA VAL 44 HA VAL 44 -0.601 5.423 -2.018 335 HB VAL 44 HB VAL 44 0.834 6.997 -3.360 336 1HG1 VAL 44 HG12 VAL 44 0.741 5.097 -5.288 337 2HG1 VAL 44 HG11 VAL 44 -0.543 6.166 -5.852 338 3HG1 VAL 44 HG13 VAL 44 1.089 6.793 -5.623 339 1HG2 VAL 44 HG21 VAL 44 -1.948 6.927 -3.051 340 2HG2 VAL 44 HG23 VAL 44 -0.983 8.336 -3.489 341 3HG2 VAL 44 HG22 VAL 44 -1.705 7.336 -4.749 342 H VAL 45 HN VAL 45 -2.217 3.917 -2.033 343 HA VAL 45 HA VAL 45 -2.946 2.709 -4.669 344 HB VAL 45 HB VAL 45 -3.318 1.562 -1.898 345 1HG1 VAL 45 HG11 VAL 45 -4.587 0.784 -4.090 346 2HG1 VAL 45 HG13 VAL 45 -3.051 -0.010 -4.436 347 3HG1 VAL 45 HG12 VAL 45 -3.938 -0.406 -2.963 348 1HG2 VAL 45 HG23 VAL 45 -0.911 1.954 -3.412 349 2HG2 VAL 45 HG22 VAL 45 -1.108 1.145 -1.858 350 3HG2 VAL 45 HG21 VAL 45 -1.276 0.234 -3.355 351 H THR 46 HN THR 46 -5.119 2.435 -5.118 352 HA THR 46 HA THR 46 -7.064 4.000 -3.454 353 HB THR 46 HB THR 46 -6.568 3.576 -6.388 354 HG1 THR 46 HG1 THR 46 -7.373 5.879 -6.169 355 1HG2 THR 46 HG21 THR 46 -9.255 3.993 -5.091 356 2HG2 THR 46 HG23 THR 46 -8.926 4.615 -6.708 357 3HG2 THR 46 HG22 THR 46 -8.818 2.884 -6.391 358 H PHE 47 HN PHE 47 -9.272 2.960 -3.391 359 HA PHE 47 HA PHE 47 -9.570 0.266 -4.410 360 1HB PHE 47 HB2 PHE 47 -9.432 -0.861 -2.218 361 2HB PHE 47 HB1 PHE 47 -7.905 -0.078 -2.623 362 HD1 PHE 47 HD2 PHE 47 -11.037 0.295 -0.598 363 HD2 PHE 47 HD1 PHE 47 -7.027 1.691 -1.314 364 HE1 PHE 47 HE2 PHE 47 -11.127 1.619 1.481 365 HE2 PHE 47 HE1 PHE 47 -7.122 3.017 0.775 366 HZ PHE 47 HZ PHE 47 -9.161 2.980 2.173 367 H ASP 48 HN ASP 48 -11.370 -0.851 -2.963 368 HA ASP 48 HA ASP 48 -13.552 1.171 -2.713 369 1HB ASP 48 HB2 ASP 48 -13.392 -1.782 -3.358 370 2HB ASP 48 HB1 ASP 48 -14.920 -1.045 -2.873 371 H ASP 49 HN ASP 49 -14.141 1.605 -0.612 372 HA ASP 49 HA ASP 49 -12.896 0.075 1.540 373 1HB ASP 49 HB2 ASP 49 -13.341 2.591 1.363 374 2HB ASP 49 HB1 ASP 49 -15.015 2.215 1.772 375 H THR 50 HN THR 50 -14.778 -1.513 -0.014 376 HA THR 50 HA THR 50 -16.935 -1.993 2.006 377 HB THR 50 HB THR 50 -17.928 -3.182 -0.108 378 HG1 THR 50 HG1 THR 50 -15.897 -2.957 -1.243 379 1HG2 THR 50 HG21 THR 50 -18.201 -0.659 0.983 380 2HG2 THR 50 HG23 THR 50 -17.873 -0.315 -0.715 381 3HG2 THR 50 HG22 THR 50 -19.234 -1.345 -0.271 382 H LYS 51 HN LYS 51 -14.243 -3.314 0.217 383 HA LYS 51 HA LYS 51 -14.626 -5.930 1.630 384 1HB LYS 51 HB2 LYS 51 -13.753 -5.280 -1.196 385 2HB LYS 51 HB1 LYS 51 -13.503 -6.868 -0.471 386 1HG LYS 51 HG2 LYS 51 -16.196 -6.156 0.056 387 2HG LYS 51 HG1 LYS 51 -15.901 -5.791 -1.644 388 1HD LYS 51 HD2 LYS 51 -14.671 -8.182 -1.510 389 2HD LYS 51 HD1 LYS 51 -15.870 -8.414 -0.237 390 1HE LYS 51 HE2 LYS 51 -17.567 -7.468 -1.998 391 2HE LYS 51 HE1 LYS 51 -16.316 -7.917 -3.175 392 1HZ LYS 51 HZ2 LYS 51 -16.938 -9.827 -1.048 393 2HZ LYS 51 HZ1 LYS 51 -18.068 -9.671 -2.308 394 3HZ LYS 51 HZ3 LYS 51 -16.468 -10.113 -2.656 395 H ALA 52 HN ALA 52 -12.716 -3.204 1.338 396 HA ALA 52 HA ALA 52 -10.587 -4.225 2.953 397 1HB ALA 52 HB2 ALA 52 -10.450 -5.230 0.441 398 2HB ALA 52 HB1 ALA 52 -9.533 -3.740 0.213 399 3HB ALA 52 HB3 ALA 52 -9.018 -4.916 1.422 400 H SER 53 HN SER 53 -8.611 -2.595 2.788 401 HA SER 53 HA SER 53 -8.842 -0.044 1.593 402 1HB SER 53 HB2 SER 53 -9.701 1.160 3.714 403 2HB SER 53 HB1 SER 53 -10.894 0.292 2.756 404 HG SER 53 HG SER 53 -10.952 -1.290 4.238 405 H VAL 54 HN VAL 54 -7.822 1.639 3.510 406 HA VAL 54 HA VAL 54 -5.134 1.252 3.688 407 HB VAL 54 HB VAL 54 -7.160 2.411 5.585 408 1HG1 VAL 54 HG12 VAL 54 -4.201 2.091 6.022 409 2HG1 VAL 54 HG11 VAL 54 -5.031 3.525 6.628 410 3HG1 VAL 54 HG13 VAL 54 -5.518 1.924 7.182 411 1HG2 VAL 54 HG22 VAL 54 -6.639 3.499 3.410 412 2HG2 VAL 54 HG21 VAL 54 -6.178 4.508 4.780 413 3HG2 VAL 54 HG23 VAL 54 -4.947 3.611 3.891 414 H GLN 55 HN GLN 55 -7.487 -0.219 5.948 415 HA GLN 55 HA GLN 55 -5.654 -1.400 7.761 416 1HB GLN 55 HB2 GLN 55 -8.024 -1.323 8.187 417 2HB GLN 55 HB1 GLN 55 -8.375 -2.231 6.716 418 1HG GLN 55 HG2 GLN 55 -8.535 -3.822 8.480 419 2HG GLN 55 HG1 GLN 55 -6.966 -4.120 7.732 420 1HE2 GLN 55 HE22 GLN 55 -6.937 -2.117 11.337 421 2HE2 GLN 55 HE21 GLN 55 -8.198 -1.814 10.242 422 H LYS 56 HN LYS 56 -7.093 -2.821 4.801 423 HA LYS 56 HA LYS 56 -5.406 -5.204 4.981 424 1HB LYS 56 HB2 LYS 56 -7.321 -4.105 2.903 425 2HB LYS 56 HB1 LYS 56 -6.589 -5.707 2.822 426 1HG LYS 56 HG2 LYS 56 -8.156 -4.780 5.233 427 2HG LYS 56 HG1 LYS 56 -8.926 -5.582 3.862 428 1HD LYS 56 HD2 LYS 56 -7.026 -7.366 4.195 429 2HD LYS 56 HD1 LYS 56 -6.933 -6.685 5.820 430 1HE LYS 56 HE2 LYS 56 -9.314 -7.143 6.189 431 2HE LYS 56 HE1 LYS 56 -9.469 -7.756 4.530 432 1HZ LYS 56 HZ3 LYS 56 -7.485 -9.233 5.184 433 2HZ LYS 56 HZ2 LYS 56 -7.940 -8.893 6.785 434 3HZ LYS 56 HZ1 LYS 56 -9.028 -9.670 5.736 435 H LEU 57 HN LEU 57 -5.023 -2.055 3.520 436 HA LEU 57 HA LEU 57 -3.231 -2.926 1.392 437 1HB LEU 57 HB2 LEU 57 -3.548 -0.236 2.763 438 2HB LEU 57 HB1 LEU 57 -2.806 -0.516 1.191 439 HG LEU 57 HG LEU 57 -5.691 -1.208 1.816 440 1HD1 LEU 57 HD12 LEU 57 -4.420 1.343 1.419 441 2HD1 LEU 57 HD11 LEU 57 -5.463 0.995 0.041 442 3HD1 LEU 57 HD13 LEU 57 -6.130 0.996 1.674 443 1HD2 LEU 57 HD22 LEU 57 -4.363 -2.286 -0.154 444 2HD2 LEU 57 HD21 LEU 57 -5.924 -1.550 -0.517 445 3HD2 LEU 57 HD23 LEU 57 -4.433 -0.682 -0.882 446 H THR 58 HN THR 58 -2.722 -1.114 4.440 447 HA THR 58 HA THR 58 0.099 -1.303 4.547 448 HB THR 58 HB THR 58 -2.083 -1.235 6.651 449 HG1 THR 58 HG1 THR 58 -2.007 0.676 5.681 450 1HG2 THR 58 HG23 THR 58 0.114 -2.266 7.457 451 2HG2 THR 58 HG22 THR 58 0.847 -0.692 7.145 452 3HG2 THR 58 HG21 THR 58 -0.445 -0.843 8.336 453 H LYS 59 HN LYS 59 -2.428 -3.637 5.322 454 HA LYS 59 HA LYS 59 -0.719 -5.520 6.665 455 1HB LYS 59 HB2 LYS 59 -3.220 -5.277 6.857 456 2HB LYS 59 HB1 LYS 59 -3.351 -5.940 5.227 457 1HG LYS 59 HG2 LYS 59 -1.628 -7.618 6.818 458 2HG LYS 59 HG1 LYS 59 -3.164 -7.384 7.652 459 1HD LYS 59 HD2 LYS 59 -4.064 -7.798 5.129 460 2HD LYS 59 HD1 LYS 59 -2.596 -8.776 5.095 461 1HE LYS 59 HE2 LYS 59 -3.487 -9.648 7.434 462 2HE LYS 59 HE1 LYS 59 -5.052 -9.119 6.786 463 1HZ LYS 59 HZ1 LYS 59 -4.206 -10.286 4.649 464 2HZ LYS 59 HZ3 LYS 59 -3.185 -11.128 5.711 465 3HZ LYS 59 HZ2 LYS 59 -4.871 -11.224 5.900 466 H ALA 60 HN ALA 60 -1.757 -5.021 3.306 467 HA ALA 60 HA ALA 60 -0.752 -7.498 2.284 468 1HB ALA 60 HB2 ALA 60 -2.390 -5.757 1.288 469 2HB ALA 60 HB1 ALA 60 -0.942 -4.883 0.788 470 3HB ALA 60 HB3 ALA 60 -1.245 -6.509 0.177 471 H THR 61 HN THR 61 0.678 -4.288 2.746 472 HA THR 61 HA THR 61 3.174 -4.952 1.421 473 HB THR 61 HB THR 61 2.352 -2.645 1.616 474 HG1 THR 61 HG1 THR 61 4.284 -1.907 3.015 475 1HG2 THR 61 HG22 THR 61 2.535 -3.203 4.585 476 2HG2 THR 61 HG21 THR 61 2.393 -1.582 3.911 477 3HG2 THR 61 HG23 THR 61 1.100 -2.751 3.665 478 H ALA 62 HN ALA 62 1.903 -4.997 4.666 479 HA ALA 62 HA ALA 62 4.336 -5.587 6.059 480 1HB ALA 62 HB3 ALA 62 1.395 -5.733 6.513 481 2HB ALA 62 HB2 ALA 62 2.398 -6.721 7.575 482 3HB ALA 62 HB1 ALA 62 2.642 -4.976 7.505 483 H ASP 63 HN ASP 63 1.973 -7.507 4.297 484 HA ASP 63 HA ASP 63 3.275 -10.053 5.061 485 1HB ASP 63 HB2 ASP 63 0.748 -9.593 4.806 486 2HB ASP 63 HB1 ASP 63 1.046 -9.565 3.068 487 H ALA 64 HN ALA 64 3.667 -7.596 2.778 488 HA ALA 64 HA ALA 64 4.541 -9.300 0.544 489 1HB ALA 64 HB1 ALA 64 3.371 -7.067 0.355 490 2HB ALA 64 HB3 ALA 64 4.814 -6.314 1.031 491 3HB ALA 64 HB2 ALA 64 4.897 -7.138 -0.525 492 H GLY 65 HN GLY 65 5.856 -7.780 3.363 493 1HA GLY 65 HA2 GLY 65 8.120 -8.909 3.920 494 2HA GLY 65 HA1 GLY 65 8.630 -8.256 2.366 495 H TYR 66 HN TYR 66 6.465 -6.223 4.161 496 HA TYR 66 HA TYR 66 8.703 -4.764 5.456 497 1HB TYR 66 HB2 TYR 66 6.847 -3.448 3.465 498 2HB TYR 66 HB1 TYR 66 8.276 -2.749 4.216 499 HD1 TYR 66 HD1 TYR 66 10.516 -4.032 3.794 500 HD2 TYR 66 HD2 TYR 66 6.980 -4.377 1.405 501 HE1 TYR 66 HE1 TYR 66 11.885 -4.798 1.890 502 HE2 TYR 66 HE2 TYR 66 8.331 -5.140 -0.503 503 HH TYR 66 HH TYR 66 10.880 -6.415 -0.564 504 HA PRO 67 HA PRO 67 5.080 -4.429 8.200 505 1HB PRO 67 HB2 PRO 67 6.828 -3.050 10.033 506 2HB PRO 67 HB1 PRO 67 6.195 -4.693 10.173 507 1HG PRO 67 HG2 PRO 67 8.888 -3.891 9.580 508 2HG PRO 67 HG1 PRO 67 8.249 -5.532 9.717 509 1HD PRO 67 HD2 PRO 67 9.072 -4.155 7.320 510 2HD PRO 67 HD1 PRO 67 8.403 -5.800 7.457 511 H SER 68 HN SER 68 4.029 -2.799 6.914 512 HA SER 68 HA SER 68 5.167 -0.046 7.083 513 1HB SER 68 HB2 SER 68 4.820 -0.254 4.858 514 2HB SER 68 HB1 SER 68 3.877 -1.721 5.085 515 HG SER 68 HG SER 68 3.065 0.851 4.677 516 H SER 69 HN SER 69 3.084 1.525 6.576 517 HA SER 69 HA SER 69 0.849 0.951 8.437 518 1HB SER 69 HB2 SER 69 1.365 2.767 9.820 519 2HB SER 69 HB1 SER 69 2.981 2.194 9.419 520 HG SER 69 HG SER 69 2.661 4.479 9.105 521 H VAL 70 HN VAL 70 -0.133 3.630 8.253 522 HA VAL 70 HA VAL 70 -0.391 4.054 5.324 523 HB VAL 70 HB VAL 70 -2.030 2.458 6.480 524 1HG1 VAL 70 HG11 VAL 70 -2.286 4.413 8.312 525 2HG1 VAL 70 HG13 VAL 70 -3.602 4.876 7.233 526 3HG1 VAL 70 HG12 VAL 70 -3.587 3.272 7.967 527 1HG2 VAL 70 HG21 VAL 70 -2.343 4.416 4.417 528 2HG2 VAL 70 HG23 VAL 70 -3.163 2.862 4.568 529 3HG2 VAL 70 HG22 VAL 70 -3.870 4.306 5.291 530 H LYS 71 HN LYS 71 -1.297 6.175 4.770 531 HA LYS 71 HA LYS 71 -1.103 8.127 7.051 532 1HB LYS 71 HB2 LYS 71 -0.412 8.950 4.266 533 2HB LYS 71 HB1 LYS 71 0.300 9.472 5.790 534 1HG LYS 71 HG2 LYS 71 1.424 7.303 6.029 535 2HG LYS 71 HG1 LYS 71 0.695 6.750 4.521 536 1HD LYS 71 HD2 LYS 71 1.964 8.223 3.216 537 2HD LYS 71 HD1 LYS 71 2.330 9.271 4.588 538 1HE LYS 71 HE2 LYS 71 3.322 6.654 5.203 539 2HE LYS 71 HE1 LYS 71 3.904 7.103 3.588 540 1HZ LYS 71 HZ2 LYS 71 3.912 9.086 5.769 541 2HZ LYS 71 HZ1 LYS 71 5.179 7.959 5.652 542 3HZ LYS 71 HZ3 LYS 71 4.876 9.028 4.371 543 H GLN 72 HN GLN 72 -3.325 6.748 5.792 544 HA GLN 72 HA GLN 72 -5.017 8.010 4.047 545 1HB GLN 72 HB2 GLN 72 -6.828 7.188 5.455 546 2HB GLN 72 HB1 GLN 72 -5.482 6.054 5.571 547 1HG GLN 72 HG2 GLN 72 -4.749 7.097 7.665 548 2HG GLN 72 HG1 GLN 72 -6.051 8.281 7.547 549 1HE2 GLN 72 HE22 GLN 72 -7.555 5.811 9.736 550 2HE2 GLN 72 HE21 GLN 72 -6.517 7.153 9.786 No H/Q in entry = 550 Start of MODEL 16 1 1H ALA 1 HT2 ALA 1 17.999 3.442 0.761 2 2H ALA 1 HT1 ALA 1 18.512 3.613 -0.849 3 3H ALA 1 HT3 ALA 1 17.345 4.668 -0.216 4 HA ALA 1 HA ALA 1 16.159 3.123 -1.551 5 1HB ALA 1 HB1 ALA 1 18.377 1.613 -1.084 6 2HB ALA 1 HB3 ALA 1 17.204 0.785 -0.060 7 3HB ALA 1 HB2 ALA 1 16.893 0.968 -1.787 8 H THR 2 HN THR 2 14.683 4.287 -0.017 9 HA THR 2 HA THR 2 12.968 2.654 1.365 10 HB THR 2 HB THR 2 14.632 2.182 2.943 11 HG1 THR 2 HG1 THR 2 13.485 4.391 4.205 12 1HG2 THR 2 HG22 THR 2 16.067 4.180 2.107 13 2HG2 THR 2 HG21 THR 2 15.255 5.084 3.382 14 3HG2 THR 2 HG23 THR 2 16.237 3.678 3.787 15 H GLN 3 HN GLN 3 11.317 3.910 0.840 16 HA GLN 3 HA GLN 3 11.245 6.703 1.901 17 1HB GLN 3 HB2 GLN 3 10.397 7.429 -0.362 18 2HB GLN 3 HB1 GLN 3 12.076 6.890 -0.365 19 1HG GLN 3 HG2 GLN 3 11.618 5.142 -1.725 20 2HG GLN 3 HG1 GLN 3 10.189 4.693 -0.792 21 1HE2 GLN 3 HE22 GLN 3 8.871 5.771 -4.067 22 2HE2 GLN 3 HE21 GLN 3 9.752 4.460 -3.443 23 H THR 4 HN THR 4 8.944 7.640 1.429 24 HA THR 4 HA THR 4 6.942 5.492 2.031 25 HB THR 4 HB THR 4 6.871 8.448 2.703 26 HG1 THR 4 HG1 THR 4 7.846 7.959 4.557 27 1HG2 THR 4 HG23 THR 4 5.128 6.106 3.189 28 2HG2 THR 4 HG22 THR 4 5.406 7.144 4.587 29 3HG2 THR 4 HG21 THR 4 4.718 7.819 3.111 30 H VAL 5 HN VAL 5 5.267 5.274 0.608 31 HA VAL 5 HA VAL 5 4.727 7.490 -1.344 32 HB VAL 5 HB VAL 5 5.842 5.895 -2.620 33 1HG1 VAL 5 HG13 VAL 5 5.985 4.220 -0.750 34 2HG1 VAL 5 HG12 VAL 5 4.358 3.688 -1.171 35 3HG1 VAL 5 HG11 VAL 5 5.677 3.490 -2.323 36 1HG2 VAL 5 HG21 VAL 5 2.946 5.015 -2.685 37 2HG2 VAL 5 HG23 VAL 5 3.637 6.358 -3.596 38 3HG2 VAL 5 HG22 VAL 5 4.137 4.705 -3.949 39 H THR 6 HN THR 6 2.565 7.186 -2.313 40 HA THR 6 HA THR 6 0.628 6.268 -0.238 41 HB THR 6 HB THR 6 -0.773 7.858 -1.896 42 HG1 THR 6 HG1 THR 6 0.992 9.568 -2.302 43 1HG2 THR 6 HG21 THR 6 0.963 8.380 0.443 44 2HG2 THR 6 HG23 THR 6 0.432 9.802 -0.454 45 3HG2 THR 6 HG22 THR 6 -0.759 8.695 0.229 46 H LEU 7 HN LEU 7 -1.324 5.168 -1.176 47 HA LEU 7 HA LEU 7 -0.761 3.975 -3.852 48 1HB LEU 7 HB2 LEU 7 -0.815 2.788 -1.199 49 2HB LEU 7 HB1 LEU 7 -2.015 2.031 -2.246 50 HG LEU 7 HG LEU 7 -0.383 1.412 -3.848 51 1HD1 LEU 7 HD13 LEU 7 1.356 3.412 -2.444 52 2HD1 LEU 7 HD12 LEU 7 2.058 2.148 -3.454 53 3HD1 LEU 7 HD11 LEU 7 0.942 3.314 -4.151 54 1HD2 LEU 7 HD21 LEU 7 0.026 0.750 -1.081 55 2HD2 LEU 7 HD23 LEU 7 0.347 -0.249 -2.500 56 3HD2 LEU 7 HD22 LEU 7 1.590 0.840 -1.885 57 H ALA 8 HN ALA 8 -2.663 3.347 -4.995 58 HA ALA 8 HA ALA 8 -5.130 4.726 -3.999 59 1HB ALA 8 HB1 ALA 8 -4.000 5.446 -6.135 60 2HB ALA 8 HB3 ALA 8 -4.369 3.855 -6.801 61 3HB ALA 8 HB2 ALA 8 -5.678 4.947 -6.352 62 H VAL 9 HN VAL 9 -6.487 3.251 -3.056 63 HA VAL 9 HA VAL 9 -7.037 0.720 -4.560 64 HB VAL 9 HB VAL 9 -5.630 0.092 -2.724 65 1HG1 VAL 9 HG12 VAL 9 -7.083 2.291 -1.362 66 2HG1 VAL 9 HG11 VAL 9 -6.654 0.914 -0.349 67 3HG1 VAL 9 HG13 VAL 9 -5.397 1.796 -1.216 68 1HG2 VAL 9 HG22 VAL 9 -8.464 -0.524 -2.624 69 2HG2 VAL 9 HG21 VAL 9 -7.088 -1.573 -2.306 70 3HG2 VAL 9 HG23 VAL 9 -7.751 -0.576 -1.014 71 HA PRO 10 HA PRO 10 -10.942 3.012 -3.855 72 1HB PRO 10 HB2 PRO 10 -12.004 1.839 -6.202 73 2HB PRO 10 HB1 PRO 10 -11.331 3.463 -6.038 74 1HG PRO 10 HG2 PRO 10 -10.216 1.204 -7.449 75 2HG PRO 10 HG1 PRO 10 -9.596 2.855 -7.358 76 1HD PRO 10 HD2 PRO 10 -8.583 0.484 -6.027 77 2HD PRO 10 HD1 PRO 10 -7.909 2.133 -6.005 78 H GLY 11 HN GLY 11 -10.136 0.008 -3.088 79 1HA GLY 11 HA2 GLY 11 -12.306 -1.700 -3.552 80 2HA GLY 11 HA1 GLY 11 -11.324 -1.740 -2.086 81 H MET 12 HN MET 12 -11.930 0.921 -1.240 82 HA MET 12 HA MET 12 -13.435 1.652 0.487 83 1HB MET 12 HB2 MET 12 -15.025 3.000 -0.660 84 2HB MET 12 HB1 MET 12 -13.707 2.793 -1.812 85 1HG MET 12 HG2 MET 12 -15.121 0.678 -2.552 86 2HG MET 12 HG1 MET 12 -16.448 1.585 -1.830 87 1HE MET 12 HE3 MET 12 -17.641 3.137 -2.651 88 2HE MET 12 HE2 MET 12 -17.551 3.956 -4.209 89 3HE MET 12 HE1 MET 12 -17.875 2.225 -4.148 90 H THR 13 HN THR 13 -13.544 -1.055 0.697 91 HA THR 13 HA THR 13 -16.265 -2.069 0.332 92 HB THR 13 HB THR 13 -13.922 -3.232 0.274 93 HG1 THR 13 HG1 THR 13 -15.875 -4.357 0.112 94 1HG2 THR 13 HG22 THR 13 -13.863 -2.335 2.882 95 2HG2 THR 13 HG21 THR 13 -14.295 -4.036 3.052 96 3HG2 THR 13 HG23 THR 13 -12.822 -3.582 2.198 97 H CYS 14 HN CYS 14 -15.211 0.216 2.335 98 HA CYS 14 HA CYS 14 -16.228 1.141 4.253 99 1HB CYS 14 HB2 CYS 14 -18.050 -0.697 3.344 100 2HB CYS 14 HB1 CYS 14 -17.710 -1.312 4.961 101 HG CYS 14 HG CYS 14 -18.191 1.656 5.117 102 H ALA 15 HN ALA 15 -14.259 1.126 5.372 103 HA ALA 15 HA ALA 15 -12.800 0.551 7.128 104 1HB ALA 15 HB3 ALA 15 -15.493 -0.442 7.717 105 2HB ALA 15 HB2 ALA 15 -14.229 -1.299 8.600 106 3HB ALA 15 HB1 ALA 15 -14.376 0.452 8.748 107 H ALA 16 HN ALA 16 -12.398 -0.991 4.707 108 HA ALA 16 HA ALA 16 -11.031 -3.290 5.917 109 1HB ALA 16 HB3 ALA 16 -13.673 -3.501 4.733 110 2HB ALA 16 HB2 ALA 16 -12.516 -4.537 3.896 111 3HB ALA 16 HB1 ALA 16 -12.756 -4.708 5.635 112 H CYS 17 HN CYS 17 -12.083 -1.816 2.799 113 HA CYS 17 HA CYS 17 -10.220 -2.934 1.060 114 1HB CYS 17 HB2 CYS 17 -11.552 -1.476 -0.066 115 2HB CYS 17 HB1 CYS 17 -11.761 -0.445 1.341 116 HG CYS 17 HG CYS 17 -9.778 0.961 0.635 117 HA PRO 18 HA PRO 18 -6.864 0.240 2.433 118 1HB PRO 18 HB2 PRO 18 -7.488 1.604 4.793 119 2HB PRO 18 HB1 PRO 18 -7.658 2.242 3.154 120 1HG PRO 18 HG2 PRO 18 -9.746 1.407 5.034 121 2HG PRO 18 HG1 PRO 18 -9.890 2.372 3.561 122 1HD PRO 18 HD2 PRO 18 -10.654 -0.362 3.908 123 2HD PRO 18 HD1 PRO 18 -10.641 0.570 2.392 124 H ILE 19 HN ILE 19 -8.581 -1.726 4.746 125 HA ILE 19 HA ILE 19 -6.412 -1.874 6.703 126 HB ILE 19 HB ILE 19 -8.986 -3.384 6.181 127 1HG1 ILE 19 HG12 ILE 19 -8.086 -1.422 8.315 128 2HG1 ILE 19 HG11 ILE 19 -9.214 -1.083 7.002 129 1HG2 ILE 19 HG22 ILE 19 -6.740 -4.312 7.644 130 2HG2 ILE 19 HG21 ILE 19 -7.932 -3.784 8.832 131 3HG2 ILE 19 HG23 ILE 19 -8.366 -4.996 7.626 132 1HD1 ILE 19 HD11 ILE 19 -10.447 -3.225 8.043 133 2HD1 ILE 19 HD13 ILE 19 -9.628 -2.660 9.499 134 3HD1 ILE 19 HD12 ILE 19 -10.744 -1.594 8.644 135 H THR 20 HN THR 20 -7.607 -3.834 4.021 136 HA THR 20 HA THR 20 -5.685 -5.985 4.412 137 HB THR 20 HB THR 20 -7.991 -5.242 2.766 138 HG1 THR 20 HG1 THR 20 -8.473 -7.254 3.214 139 1HG2 THR 20 HG22 THR 20 -5.664 -6.641 1.441 140 2HG2 THR 20 HG21 THR 20 -7.318 -6.714 0.834 141 3HG2 THR 20 HG23 THR 20 -6.473 -5.168 0.907 142 H VAL 21 HN VAL 21 -6.113 -3.232 2.184 143 HA VAL 21 HA VAL 21 -3.792 -3.584 0.615 144 HB VAL 21 HB VAL 21 -5.423 -1.220 1.552 145 1HG1 VAL 21 HG11 VAL 21 -3.070 -1.183 -0.362 146 2HG1 VAL 21 HG13 VAL 21 -4.196 0.153 -0.120 147 3HG1 VAL 21 HG12 VAL 21 -3.153 -0.372 1.202 148 1HG2 VAL 21 HG23 VAL 21 -5.367 -3.070 -0.739 149 2HG2 VAL 21 HG22 VAL 21 -6.702 -2.107 -0.105 150 3HG2 VAL 21 HG21 VAL 21 -5.523 -1.374 -1.192 151 H LYS 22 HN LYS 22 -4.282 -1.983 3.740 152 HA LYS 22 HA LYS 22 -1.697 -0.884 4.114 153 1HB LYS 22 HB2 LYS 22 -3.278 -0.283 5.718 154 2HB LYS 22 HB1 LYS 22 -3.945 -1.911 5.814 155 1HG LYS 22 HG2 LYS 22 -2.442 -2.577 7.403 156 2HG LYS 22 HG1 LYS 22 -1.131 -1.623 6.711 157 1HD LYS 22 HD2 LYS 22 -2.094 0.428 7.644 158 2HD LYS 22 HD1 LYS 22 -3.462 -0.485 8.283 159 1HE LYS 22 HE2 LYS 22 -1.520 -1.921 9.423 160 2HE LYS 22 HE1 LYS 22 -0.631 -0.393 9.253 161 1HZ LYS 22 HZ2 LYS 22 -2.618 0.731 10.199 162 2HZ LYS 22 HZ1 LYS 22 -3.276 -0.797 10.544 163 3HZ LYS 22 HZ3 LYS 22 -1.837 -0.305 11.295 164 H LYS 23 HN LYS 23 -2.931 -4.044 5.266 165 HA LYS 23 HA LYS 23 -0.314 -5.034 5.997 166 1HB LYS 23 HB2 LYS 23 -1.561 -7.099 6.392 167 2HB LYS 23 HB1 LYS 23 -2.523 -5.729 6.950 168 1HG LYS 23 HG2 LYS 23 -3.975 -5.835 5.106 169 2HG LYS 23 HG1 LYS 23 -2.834 -6.771 4.143 170 1HD LYS 23 HD2 LYS 23 -4.183 -8.511 4.771 171 2HD LYS 23 HD1 LYS 23 -3.168 -8.474 6.214 172 1HE LYS 23 HE2 LYS 23 -5.878 -7.139 5.872 173 2HE LYS 23 HE1 LYS 23 -5.477 -8.482 6.960 174 1HZ LYS 23 HZ3 LYS 23 -3.720 -6.968 7.901 175 2HZ LYS 23 HZ2 LYS 23 -4.467 -5.697 7.058 176 3HZ LYS 23 HZ1 LYS 23 -5.320 -6.539 8.262 177 H ALA 24 HN ALA 24 -1.528 -4.456 2.943 178 HA ALA 24 HA ALA 24 -0.502 -6.906 1.704 179 1HB ALA 24 HB1 ALA 24 -2.412 -4.923 1.123 180 2HB ALA 24 HB3 ALA 24 -1.140 -4.707 -0.079 181 3HB ALA 24 HB2 ALA 24 -1.948 -6.266 0.079 182 H LEU 25 HN LEU 25 0.022 -3.507 0.896 183 HA LEU 25 HA LEU 25 2.652 -3.917 -0.138 184 1HB LEU 25 HB2 LEU 25 2.696 -1.343 0.136 185 2HB LEU 25 HB1 LEU 25 1.494 -2.034 -0.939 186 HG LEU 25 HG LEU 25 0.890 -0.190 0.867 187 1HD1 LEU 25 HD11 LEU 25 -0.830 -2.489 0.020 188 2HD1 LEU 25 HD13 LEU 25 -1.446 -1.071 0.861 189 3HD1 LEU 25 HD12 LEU 25 -0.688 -0.904 -0.717 190 1HD2 LEU 25 HD22 LEU 25 1.634 -1.638 2.771 191 2HD2 LEU 25 HD21 LEU 25 0.009 -0.990 2.905 192 3HD2 LEU 25 HD23 LEU 25 0.243 -2.666 2.440 193 H SER 26 HN SER 26 1.478 -3.862 3.039 194 HA SER 26 HA SER 26 3.968 -2.791 4.236 195 1HB SER 26 HB2 SER 26 1.711 -2.304 5.146 196 2HB SER 26 HB1 SER 26 1.464 -4.021 5.436 197 HG SER 26 HG SER 26 2.370 -3.579 7.284 198 H LYS 27 HN LYS 27 2.181 -5.927 4.131 199 HA LYS 27 HA LYS 27 4.346 -7.270 5.551 200 1HB LYS 27 HB2 LYS 27 2.617 -8.655 5.957 201 2HB LYS 27 HB1 LYS 27 1.624 -7.733 4.843 202 1HG LYS 27 HG2 LYS 27 3.510 -9.936 3.968 203 2HG LYS 27 HG1 LYS 27 1.795 -10.189 4.292 204 1HD LYS 27 HD2 LYS 27 1.807 -7.971 2.620 205 2HD LYS 27 HD1 LYS 27 3.082 -8.992 1.954 206 1HE LYS 27 HE2 LYS 27 0.203 -9.810 2.482 207 2HE LYS 27 HE1 LYS 27 0.999 -9.663 0.903 208 1HZ LYS 27 HZ3 LYS 27 2.721 -11.249 1.925 209 2HZ LYS 27 HZ2 LYS 27 1.506 -11.623 3.052 210 3HZ LYS 27 HZ1 LYS 27 1.248 -11.904 1.397 211 H VAL 28 HN VAL 28 4.042 -6.191 2.414 212 HA VAL 28 HA VAL 28 4.793 -7.935 0.509 213 HB VAL 28 HB VAL 28 5.986 -5.317 1.378 214 1HG1 VAL 28 HG11 VAL 28 6.902 -7.071 -0.904 215 2HG1 VAL 28 HG13 VAL 28 7.071 -5.317 -0.969 216 3HG1 VAL 28 HG12 VAL 28 7.887 -6.234 0.296 217 1HG2 VAL 28 HG22 VAL 28 3.689 -6.008 0.057 218 2HG2 VAL 28 HG21 VAL 28 4.481 -4.439 -0.082 219 3HG2 VAL 28 HG23 VAL 28 4.783 -5.688 -1.289 220 H GLU 29 HN GLU 29 7.642 -6.537 2.153 221 HA GLU 29 HA GLU 29 8.679 -8.959 3.252 222 1HB GLU 29 HB2 GLU 29 10.347 -9.410 1.368 223 2HB GLU 29 HB1 GLU 29 8.669 -9.827 1.025 224 1HG GLU 29 HG2 GLU 29 8.402 -8.102 -0.480 225 2HG GLU 29 HG1 GLU 29 9.569 -7.065 0.340 226 H GLY 30 HN GLY 30 9.392 -5.854 1.711 227 1HA GLY 30 HA2 GLY 30 11.745 -5.585 3.546 228 2HA GLY 30 HA1 GLY 30 11.671 -4.816 1.958 229 H VAL 31 HN VAL 31 8.620 -4.722 3.208 230 HA VAL 31 HA VAL 31 8.349 -1.948 3.445 231 HB VAL 31 HB VAL 31 6.979 -4.247 4.863 232 1HG1 VAL 31 HG11 VAL 31 6.713 -1.780 5.765 233 2HG1 VAL 31 HG13 VAL 31 5.698 -1.583 4.337 234 3HG1 VAL 31 HG12 VAL 31 5.289 -2.796 5.550 235 1HG2 VAL 31 HG21 VAL 31 7.057 -4.154 2.326 236 2HG2 VAL 31 HG23 VAL 31 5.438 -4.160 3.023 237 3HG2 VAL 31 HG22 VAL 31 6.139 -2.653 2.432 238 H SER 32 HN SER 32 8.421 -0.522 5.065 239 HA SER 32 HA SER 32 9.808 -1.355 7.584 240 1HB SER 32 HB2 SER 32 10.173 0.920 5.662 241 2HB SER 32 HB1 SER 32 10.583 1.170 7.357 242 HG SER 32 HG SER 32 12.128 -0.346 7.215 243 H LYS 33 HN LYS 33 7.036 0.011 6.174 244 HA LYS 33 HA LYS 33 5.776 0.477 8.732 245 1HB LYS 33 HB2 LYS 33 6.870 2.438 9.133 246 2HB LYS 33 HB1 LYS 33 7.366 2.611 7.458 247 1HG LYS 33 HG2 LYS 33 5.936 4.432 7.702 248 2HG LYS 33 HG1 LYS 33 4.815 3.231 7.079 249 1HD LYS 33 HD2 LYS 33 3.582 3.381 8.958 250 2HD LYS 33 HD1 LYS 33 4.986 2.951 9.935 251 1HE LYS 33 HE2 LYS 33 5.724 5.372 9.781 252 2HE LYS 33 HE1 LYS 33 4.151 5.729 9.041 253 1HZ LYS 33 HZ3 LYS 33 3.420 4.200 11.102 254 2HZ LYS 33 HZ2 LYS 33 4.776 4.973 11.775 255 3HZ LYS 33 HZ1 LYS 33 3.481 5.893 11.173 256 H VAL 34 HN VAL 34 3.596 1.639 8.379 257 HA VAL 34 HA VAL 34 2.572 1.913 5.674 258 HB VAL 34 HB VAL 34 2.902 -0.580 6.019 259 1HG1 VAL 34 HG12 VAL 34 1.546 0.054 8.453 260 2HG1 VAL 34 HG11 VAL 34 0.504 -1.021 7.522 261 3HG1 VAL 34 HG13 VAL 34 2.148 -1.517 7.923 262 1HG2 VAL 34 HG23 VAL 34 0.640 0.881 5.010 263 2HG2 VAL 34 HG22 VAL 34 1.305 -0.643 4.428 264 3HG2 VAL 34 HG21 VAL 34 0.076 -0.643 5.691 265 H ASP 35 HN ASP 35 0.319 2.574 5.686 266 HA ASP 35 HA ASP 35 -1.074 2.864 8.271 267 1HB ASP 35 HB2 ASP 35 0.690 4.838 7.278 268 2HB ASP 35 HB1 ASP 35 -0.937 5.449 6.972 269 H VAL 36 HN VAL 36 -3.295 3.831 7.879 270 HA VAL 36 HA VAL 36 -4.215 3.179 5.101 271 HB VAL 36 HB VAL 36 -6.429 2.865 6.366 272 1HG1 VAL 36 HG13 VAL 36 -4.557 1.100 5.728 273 2HG1 VAL 36 HG12 VAL 36 -4.351 1.014 7.478 274 3HG1 VAL 36 HG11 VAL 36 -5.914 0.635 6.754 275 1HG2 VAL 36 HG23 VAL 36 -5.086 4.124 8.395 276 2HG2 VAL 36 HG22 VAL 36 -6.511 3.112 8.630 277 3HG2 VAL 36 HG21 VAL 36 -4.899 2.433 8.857 278 H GLY 37 HN GLY 37 -5.420 4.708 3.983 279 1HA GLY 37 HA2 GLY 37 -6.135 7.222 5.429 280 2HA GLY 37 HA1 GLY 37 -5.326 7.287 3.862 281 H PHE 38 HN PHE 38 -8.217 5.836 5.395 282 HA PHE 38 HA PHE 38 -9.622 5.289 2.975 283 1HB PHE 38 HB2 PHE 38 -9.964 5.007 5.730 284 2HB PHE 38 HB1 PHE 38 -11.292 6.063 5.242 285 HD1 PHE 38 HD1 PHE 38 -11.554 5.057 2.379 286 HD2 PHE 38 HD2 PHE 38 -11.210 2.985 6.127 287 HE1 PHE 38 HE1 PHE 38 -12.751 3.113 1.413 288 HE2 PHE 38 HE2 PHE 38 -12.406 1.040 5.160 289 HZ PHE 38 HZ PHE 38 -13.188 1.106 2.809 290 H GLU 39 HN GLU 39 -8.899 8.292 4.494 291 HA GLU 39 HA GLU 39 -11.134 9.904 3.874 292 1HB GLU 39 HB2 GLU 39 -8.430 10.172 4.696 293 2HB GLU 39 HB1 GLU 39 -8.648 11.264 3.328 294 1HG GLU 39 HG2 GLU 39 -10.759 12.096 4.471 295 2HG GLU 39 HG1 GLU 39 -10.254 11.182 5.892 296 H LYS 40 HN LYS 40 -8.674 8.533 1.783 297 HA LYS 40 HA LYS 40 -10.158 9.590 -0.577 298 1HB LYS 40 HB2 LYS 40 -8.039 10.323 -1.573 299 2HB LYS 40 HB1 LYS 40 -8.253 11.100 -0.004 300 1HG LYS 40 HG2 LYS 40 -6.963 8.835 0.756 301 2HG LYS 40 HG1 LYS 40 -6.270 9.067 -0.849 302 1HD LYS 40 HD2 LYS 40 -6.480 11.468 0.909 303 2HD LYS 40 HD1 LYS 40 -5.247 10.272 1.314 304 1HE LYS 40 HE2 LYS 40 -4.123 10.552 -0.743 305 2HE LYS 40 HE1 LYS 40 -5.538 11.294 -1.516 306 1HZ LYS 40 HZ2 LYS 40 -4.558 12.575 0.907 307 2HZ LYS 40 HZ1 LYS 40 -3.568 12.729 -0.466 308 3HZ LYS 40 HZ3 LYS 40 -5.174 13.271 -0.516 309 H ARG 41 HN ARG 41 -10.024 6.925 0.649 310 HA ARG 41 HA ARG 41 -9.519 4.675 0.072 311 1HB ARG 41 HB2 ARG 41 -10.579 6.255 -2.121 312 2HB ARG 41 HB1 ARG 41 -9.593 4.926 -2.731 313 1HG ARG 41 HG2 ARG 41 -11.802 4.042 -2.500 314 2HG ARG 41 HG1 ARG 41 -10.884 3.410 -1.132 315 1HD ARG 41 HD2 ARG 41 -13.019 4.223 -0.287 316 2HD ARG 41 HD1 ARG 41 -11.767 5.367 0.235 317 HE ARG 41 HE ARG 41 -12.579 6.290 -2.273 318 1HH1 ARG 41 HH21 ARG 41 -14.065 5.557 0.759 319 2HH1 ARG 41 HH22 ARG 41 -15.312 6.745 0.581 320 1HH2 ARG 41 HH11 ARG 41 -14.201 7.843 -2.513 321 2HH2 ARG 41 HH12 ARG 41 -15.389 8.038 -1.268 322 H GLU 42 HN GLU 42 -7.130 5.776 0.714 323 HA GLU 42 HA GLU 42 -5.308 4.656 -1.362 324 1HB GLU 42 HB2 GLU 42 -5.251 6.926 -1.968 325 2HB GLU 42 HB1 GLU 42 -5.447 7.473 -0.304 326 1HG GLU 42 HG2 GLU 42 -3.016 5.881 -0.701 327 2HG GLU 42 HG1 GLU 42 -3.044 7.352 -1.674 328 H ALA 43 HN ALA 43 -3.317 3.871 -0.454 329 HA ALA 43 HA ALA 43 -3.275 3.843 2.551 330 1HB ALA 43 HB2 ALA 43 -3.615 1.758 0.880 331 2HB ALA 43 HB1 ALA 43 -1.852 1.800 0.906 332 3HB ALA 43 HB3 ALA 43 -2.751 1.599 2.410 333 H VAL 44 HN VAL 44 -1.336 4.479 3.551 334 HA VAL 44 HA VAL 44 0.819 5.441 1.707 335 HB VAL 44 HB VAL 44 -0.407 7.000 3.294 336 1HG1 VAL 44 HG13 VAL 44 -0.438 5.184 5.124 337 2HG1 VAL 44 HG12 VAL 44 1.231 5.655 5.445 338 3HG1 VAL 44 HG11 VAL 44 -0.070 6.831 5.634 339 1HG2 VAL 44 HG22 VAL 44 2.582 6.578 3.516 340 2HG2 VAL 44 HG21 VAL 44 1.725 7.717 2.477 341 3HG2 VAL 44 HG23 VAL 44 1.768 7.975 4.221 342 H VAL 45 HN VAL 45 2.384 3.922 1.512 343 HA VAL 45 HA VAL 45 3.137 2.343 3.953 344 HB VAL 45 HB VAL 45 2.072 1.411 1.733 345 1HG1 VAL 45 HG13 VAL 45 3.851 2.524 0.324 346 2HG1 VAL 45 HG12 VAL 45 5.003 1.372 0.999 347 3HG1 VAL 45 HG11 VAL 45 3.646 0.797 0.031 348 1HG2 VAL 45 HG22 VAL 45 2.855 0.051 3.646 349 2HG2 VAL 45 HG21 VAL 45 3.267 -0.715 2.111 350 3HG2 VAL 45 HG23 VAL 45 4.504 0.144 3.029 351 H THR 46 HN THR 46 5.224 2.337 4.596 352 HA THR 46 HA THR 46 7.236 3.873 2.992 353 HB THR 46 HB THR 46 6.711 3.333 5.912 354 HG1 THR 46 HG1 THR 46 6.521 5.446 5.964 355 1HG2 THR 46 HG23 THR 46 9.355 4.005 4.627 356 2HG2 THR 46 HG22 THR 46 8.992 4.473 6.289 357 3HG2 THR 46 HG21 THR 46 9.005 2.769 5.835 358 H PHE 47 HN PHE 47 9.424 2.776 2.851 359 HA PHE 47 HA PHE 47 9.733 0.098 3.912 360 1HB PHE 47 HB2 PHE 47 9.480 -1.080 1.767 361 2HB PHE 47 HB1 PHE 47 7.986 -0.230 2.172 362 HD1 PHE 47 HD2 PHE 47 11.110 -0.011 0.113 363 HD2 PHE 47 HD1 PHE 47 7.151 1.531 0.816 364 HE1 PHE 47 HE2 PHE 47 11.242 1.292 -1.982 365 HE2 PHE 47 HE1 PHE 47 7.293 2.833 -1.289 366 HZ PHE 47 HZ PHE 47 9.334 2.713 -2.687 367 H ASP 48 HN ASP 48 11.504 -1.042 2.473 368 HA ASP 48 HA ASP 48 13.644 0.997 1.977 369 1HB ASP 48 HB2 ASP 48 15.089 -1.150 2.323 370 2HB ASP 48 HB1 ASP 48 14.332 -0.427 3.741 371 H ASP 49 HN ASP 49 13.715 1.351 -0.204 372 HA ASP 49 HA ASP 49 12.649 -0.280 -2.223 373 1HB ASP 49 HB2 ASP 49 13.304 2.054 -2.499 374 2HB ASP 49 HB1 ASP 49 15.000 1.636 -2.249 375 H THR 50 HN THR 50 15.493 -0.825 -0.364 376 HA THR 50 HA THR 50 17.158 -2.217 -2.203 377 HB THR 50 HB THR 50 17.832 -3.353 0.067 378 HG1 THR 50 HG1 THR 50 15.821 -2.855 1.057 379 1HG2 THR 50 HG21 THR 50 18.247 -0.729 -1.060 380 2HG2 THR 50 HG23 THR 50 18.292 -0.641 0.701 381 3HG2 THR 50 HG22 THR 50 19.377 -1.736 -0.156 382 H LYS 51 HN LYS 51 14.383 -3.327 -0.261 383 HA LYS 51 HA LYS 51 14.613 -5.981 -1.641 384 1HB LYS 51 HB2 LYS 51 13.400 -5.348 1.060 385 2HB LYS 51 HB1 LYS 51 13.729 -6.949 0.398 386 1HG LYS 51 HG2 LYS 51 16.197 -5.884 0.192 387 2HG LYS 51 HG1 LYS 51 15.606 -4.967 1.578 388 1HD LYS 51 HD2 LYS 51 16.285 -6.784 2.771 389 2HD LYS 51 HD1 LYS 51 14.759 -7.480 2.224 390 1HE LYS 51 HE2 LYS 51 15.843 -9.020 0.964 391 2HE LYS 51 HE1 LYS 51 16.837 -7.766 0.195 392 1HZ LYS 51 HZ3 LYS 51 18.134 -7.658 2.288 393 2HZ LYS 51 HZ2 LYS 51 17.270 -9.004 2.861 394 3HZ LYS 51 HZ1 LYS 51 18.270 -9.152 1.496 395 H ALA 52 HN ALA 52 12.724 -3.201 -1.420 396 HA ALA 52 HA ALA 52 10.481 -4.578 -2.777 397 1HB ALA 52 HB3 ALA 52 10.040 -4.725 -0.339 398 2HB ALA 52 HB2 ALA 52 10.159 -2.969 -0.225 399 3HB ALA 52 HB1 ALA 52 8.852 -3.706 -1.152 400 H SER 53 HN SER 53 8.657 -2.545 -2.720 401 HA SER 53 HA SER 53 9.447 0.120 -3.106 402 1HB SER 53 HB2 SER 53 11.026 -0.532 -4.761 403 2HB SER 53 HB1 SER 53 9.938 -1.741 -5.437 404 HG SER 53 HG SER 53 10.228 0.827 -6.109 405 H VAL 54 HN VAL 54 7.774 1.256 -4.674 406 HA VAL 54 HA VAL 54 5.153 0.560 -3.998 407 HB VAL 54 HB VAL 54 4.655 1.921 -6.104 408 1HG1 VAL 54 HG12 VAL 54 6.621 2.953 -4.055 409 2HG1 VAL 54 HG11 VAL 54 5.667 3.977 -5.129 410 3HG1 VAL 54 HG13 VAL 54 4.862 2.971 -3.925 411 1HG2 VAL 54 HG21 VAL 54 6.882 1.089 -7.145 412 2HG2 VAL 54 HG23 VAL 54 6.423 2.771 -7.396 413 3HG2 VAL 54 HG22 VAL 54 7.627 2.359 -6.176 414 H GLN 55 HN GLN 55 7.192 -0.638 -6.633 415 HA GLN 55 HA GLN 55 5.343 -1.888 -8.313 416 1HB GLN 55 HB2 GLN 55 7.777 -1.876 -8.644 417 2HB GLN 55 HB1 GLN 55 7.997 -2.889 -7.217 418 1HG GLN 55 HG2 GLN 55 6.224 -4.401 -8.624 419 2HG GLN 55 HG1 GLN 55 7.113 -3.636 -9.942 420 1HE2 GLN 55 HE22 GLN 55 10.271 -4.989 -8.319 421 2HE2 GLN 55 HE21 GLN 55 9.654 -3.415 -8.461 422 H LYS 56 HN LYS 56 6.680 -3.062 -5.237 423 HA LYS 56 HA LYS 56 4.871 -5.380 -5.218 424 1HB LYS 56 HB2 LYS 56 7.415 -4.880 -4.334 425 2HB LYS 56 HB1 LYS 56 6.493 -4.717 -2.839 426 1HG LYS 56 HG2 LYS 56 7.051 -7.026 -2.967 427 2HG LYS 56 HG1 LYS 56 5.368 -6.934 -3.484 428 1HD LYS 56 HD2 LYS 56 5.898 -7.801 -5.489 429 2HD LYS 56 HD1 LYS 56 7.074 -6.515 -5.760 430 1HE LYS 56 HE2 LYS 56 8.585 -8.244 -5.713 431 2HE LYS 56 HE1 LYS 56 8.417 -8.086 -3.953 432 1HZ LYS 56 HZ2 LYS 56 6.551 -9.630 -4.032 433 2HZ LYS 56 HZ1 LYS 56 6.747 -9.809 -5.710 434 3HZ LYS 56 HZ3 LYS 56 7.955 -10.356 -4.654 435 H LEU 57 HN LEU 57 4.901 -2.115 -3.857 436 HA LEU 57 HA LEU 57 3.095 -2.758 -1.656 437 1HB LEU 57 HB2 LEU 57 3.497 -0.121 -3.102 438 2HB LEU 57 HB1 LEU 57 2.905 -0.350 -1.460 439 HG LEU 57 HG LEU 57 5.668 -1.153 -2.386 440 1HD1 LEU 57 HD12 LEU 57 4.498 1.404 -1.547 441 2HD1 LEU 57 HD11 LEU 57 5.902 0.932 -0.589 442 3HD1 LEU 57 HD13 LEU 57 6.040 1.083 -2.341 443 1HD2 LEU 57 HD21 LEU 57 4.370 -2.179 -0.293 444 2HD2 LEU 57 HD23 LEU 57 6.080 -1.764 -0.184 445 3HD2 LEU 57 HD22 LEU 57 4.862 -0.660 0.456 446 H THR 58 HN THR 58 2.582 -0.846 -4.640 447 HA THR 58 HA THR 58 -0.255 -0.968 -4.628 448 HB THR 58 HB THR 58 1.913 -0.602 -6.686 449 HG1 THR 58 HG1 THR 58 1.026 0.998 -5.103 450 1HG2 THR 58 HG22 THR 58 0.066 -1.832 -7.817 451 2HG2 THR 58 HG21 THR 58 -1.059 -0.582 -7.286 452 3HG2 THR 58 HG23 THR 58 0.237 -0.182 -8.414 453 H LYS 59 HN LYS 59 2.176 -3.326 -5.605 454 HA LYS 59 HA LYS 59 0.365 -5.027 -7.070 455 1HB LYS 59 HB2 LYS 59 2.715 -5.103 -7.543 456 2HB LYS 59 HB1 LYS 59 3.111 -5.334 -5.840 457 1HG LYS 59 HG2 LYS 59 2.695 -7.570 -5.919 458 2HG LYS 59 HG1 LYS 59 1.285 -7.365 -6.959 459 1HD LYS 59 HD2 LYS 59 4.008 -6.846 -8.100 460 2HD LYS 59 HD1 LYS 59 3.470 -8.514 -7.901 461 1HE LYS 59 HE2 LYS 59 1.274 -7.122 -9.026 462 2HE LYS 59 HE1 LYS 59 2.708 -6.629 -9.947 463 1HZ LYS 59 HZ3 LYS 59 3.310 -9.115 -9.793 464 2HZ LYS 59 HZ2 LYS 59 1.658 -9.344 -9.471 465 3HZ LYS 59 HZ1 LYS 59 2.152 -8.633 -10.933 466 H ALA 60 HN ALA 60 1.431 -4.741 -3.716 467 HA ALA 60 HA ALA 60 0.368 -7.252 -2.819 468 1HB ALA 60 HB3 ALA 60 2.103 -5.590 -1.791 469 2HB ALA 60 HB2 ALA 60 0.684 -4.775 -1.136 470 3HB ALA 60 HB1 ALA 60 1.019 -6.450 -0.698 471 H THR 61 HN THR 61 -0.912 -3.967 -3.094 472 HA THR 61 HA THR 61 -3.416 -4.562 -1.740 473 HB THR 61 HB THR 61 -2.497 -2.290 -1.848 474 HG1 THR 61 HG1 THR 61 -4.341 -1.260 -2.653 475 1HG2 THR 61 HG22 THR 61 -2.692 -2.731 -4.835 476 2HG2 THR 61 HG21 THR 61 -2.506 -1.134 -4.114 477 3HG2 THR 61 HG23 THR 61 -1.251 -2.352 -3.894 478 H ALA 62 HN ALA 62 -2.189 -4.540 -4.992 479 HA ALA 62 HA ALA 62 -4.669 -4.936 -6.384 480 1HB ALA 62 HB2 ALA 62 -1.795 -5.683 -7.028 481 2HB ALA 62 HB1 ALA 62 -3.111 -5.670 -8.202 482 3HB ALA 62 HB3 ALA 62 -2.590 -4.165 -7.445 483 H ASP 63 HN ASP 63 -2.359 -7.063 -4.782 484 HA ASP 63 HA ASP 63 -3.774 -9.494 -5.699 485 1HB ASP 63 HB2 ASP 63 -1.315 -8.869 -4.048 486 2HB ASP 63 HB1 ASP 63 -1.931 -10.515 -4.200 487 H ALA 64 HN ALA 64 -4.005 -7.214 -3.194 488 HA ALA 64 HA ALA 64 -4.917 -9.029 -1.084 489 1HB ALA 64 HB2 ALA 64 -4.107 -6.315 -1.410 490 2HB ALA 64 HB1 ALA 64 -5.756 -6.286 -0.785 491 3HB ALA 64 HB3 ALA 64 -4.492 -7.143 0.098 492 H GLY 65 HN GLY 65 -6.272 -7.131 -3.703 493 1HA GLY 65 HA2 GLY 65 -8.477 -8.315 -4.446 494 2HA GLY 65 HA1 GLY 65 -9.015 -7.883 -2.827 495 H TYR 66 HN TYR 66 -6.946 -5.692 -4.679 496 HA TYR 66 HA TYR 66 -9.315 -4.078 -5.468 497 1HB TYR 66 HB2 TYR 66 -7.098 -3.042 -3.686 498 2HB TYR 66 HB1 TYR 66 -8.537 -2.163 -4.193 499 HD1 TYR 66 HD1 TYR 66 -10.814 -3.317 -3.628 500 HD2 TYR 66 HD2 TYR 66 -7.082 -4.124 -1.693 501 HE1 TYR 66 HE1 TYR 66 -12.032 -4.166 -1.656 502 HE2 TYR 66 HE2 TYR 66 -8.282 -4.968 0.284 503 HH TYR 66 HH TYR 66 -11.411 -5.890 0.289 504 HA PRO 67 HA PRO 67 -6.285 -3.555 -8.806 505 1HB PRO 67 HB2 PRO 67 -8.182 -1.738 -10.008 506 2HB PRO 67 HB1 PRO 67 -7.783 -3.380 -10.525 507 1HG PRO 67 HG2 PRO 67 -10.198 -2.471 -9.262 508 2HG PRO 67 HG1 PRO 67 -9.793 -4.111 -9.778 509 1HD PRO 67 HD2 PRO 67 -9.976 -3.113 -7.083 510 2HD PRO 67 HD1 PRO 67 -9.519 -4.753 -7.606 511 H SER 68 HN SER 68 -4.842 -2.283 -7.503 512 HA SER 68 HA SER 68 -5.657 0.536 -6.979 513 1HB SER 68 HB2 SER 68 -3.903 -1.525 -5.721 514 2HB SER 68 HB1 SER 68 -3.493 0.167 -5.459 515 HG SER 68 HG SER 68 -6.043 -1.007 -5.024 516 H SER 69 HN SER 69 -3.225 1.667 -6.535 517 HA SER 69 HA SER 69 -1.389 1.304 -8.795 518 1HB SER 69 HB2 SER 69 -3.512 2.655 -9.498 519 2HB SER 69 HB1 SER 69 -2.836 3.940 -8.501 520 HG SER 69 HG SER 69 -2.116 4.138 -10.636 521 H VAL 70 HN VAL 70 -0.037 3.717 -8.583 522 HA VAL 70 HA VAL 70 0.429 4.063 -5.666 523 HB VAL 70 HB VAL 70 1.830 2.335 -6.989 524 1HG1 VAL 70 HG13 VAL 70 2.219 4.194 -8.802 525 2HG1 VAL 70 HG12 VAL 70 3.496 4.733 -7.711 526 3HG1 VAL 70 HG11 VAL 70 3.542 3.104 -8.386 527 1HG2 VAL 70 HG22 VAL 70 2.440 4.154 -4.855 528 2HG2 VAL 70 HG21 VAL 70 3.054 2.518 -5.102 529 3HG2 VAL 70 HG23 VAL 70 3.902 3.896 -5.804 530 H LYS 71 HN LYS 71 1.513 6.060 -5.104 531 HA LYS 71 HA LYS 71 1.507 8.082 -7.328 532 1HB LYS 71 HB2 LYS 71 0.974 8.946 -4.528 533 2HB LYS 71 HB1 LYS 71 0.254 9.526 -6.026 534 1HG LYS 71 HG2 LYS 71 -1.126 7.520 -6.185 535 2HG LYS 71 HG1 LYS 71 -0.353 6.845 -4.751 536 1HD LYS 71 HD2 LYS 71 -1.811 7.926 -3.436 537 2HD LYS 71 HD1 LYS 71 -1.283 9.469 -4.107 538 1HE LYS 71 HE2 LYS 71 -2.859 9.137 -6.024 539 2HE LYS 71 HE1 LYS 71 -3.449 7.659 -5.238 540 1HZ LYS 71 HZ1 LYS 71 -3.962 8.953 -3.262 541 2HZ LYS 71 HZ3 LYS 71 -3.415 10.369 -4.017 542 3HZ LYS 71 HZ2 LYS 71 -4.795 9.574 -4.607 543 H GLN 72 HN GLN 72 3.560 6.392 -6.130 544 HA GLN 72 HA GLN 72 5.808 6.561 -5.369 545 1HB GLN 72 HB2 GLN 72 5.156 9.109 -6.840 546 2HB GLN 72 HB1 GLN 72 6.761 8.877 -6.144 547 1HG GLN 72 HG2 GLN 72 7.302 7.707 -7.992 548 2HG GLN 72 HG1 GLN 72 6.180 6.459 -7.447 549 1HE2 GLN 72 HE22 GLN 72 5.226 8.729 -10.653 550 2HE2 GLN 72 HE21 GLN 72 6.728 8.864 -9.872 No H/Q in entry = 550 Start of MODEL 17 1 1H ALA 1 HT3 ALA 1 17.439 4.848 -0.009 2 2H ALA 1 HT2 ALA 1 18.130 3.510 0.779 3 3H ALA 1 HT1 ALA 1 18.447 3.786 -0.867 4 HA ALA 1 HA ALA 1 16.160 3.324 -1.447 5 1HB ALA 1 HB2 ALA 1 18.108 1.608 -0.851 6 2HB ALA 1 HB1 ALA 1 16.980 1.134 0.420 7 3HB ALA 1 HB3 ALA 1 16.494 1.035 -1.273 8 H THR 2 HN THR 2 14.887 4.911 -0.080 9 HA THR 2 HA THR 2 13.235 3.502 1.892 10 HB THR 2 HB THR 2 13.668 5.961 3.043 11 HG1 THR 2 HG1 THR 2 16.246 5.056 2.564 12 1HG2 THR 2 HG21 THR 2 14.877 3.249 3.518 13 2HG2 THR 2 HG23 THR 2 15.235 4.605 4.586 14 3HG2 THR 2 HG22 THR 2 13.574 4.040 4.404 15 H GLN 3 HN GLN 3 11.656 3.776 0.169 16 HA GLN 3 HA GLN 3 10.959 6.625 -0.451 17 1HB GLN 3 HB2 GLN 3 10.827 4.009 -1.899 18 2HB GLN 3 HB1 GLN 3 9.715 5.296 -2.367 19 1HG GLN 3 HG2 GLN 3 11.432 6.717 -3.053 20 2HG GLN 3 HG1 GLN 3 12.631 5.926 -2.030 21 1HE2 GLN 3 HE22 GLN 3 11.583 3.551 -5.189 22 2HE2 GLN 3 HE21 GLN 3 10.394 4.122 -4.120 23 H THR 4 HN THR 4 8.806 7.298 -0.428 24 HA THR 4 HA THR 4 6.838 5.502 0.951 25 HB THR 4 HB THR 4 7.363 8.483 1.240 26 HG1 THR 4 HG1 THR 4 8.170 7.948 3.172 27 1HG2 THR 4 HG22 THR 4 4.925 7.750 1.342 28 2HG2 THR 4 HG21 THR 4 5.362 6.811 2.769 29 3HG2 THR 4 HG23 THR 4 5.538 8.566 2.781 30 H VAL 5 HN VAL 5 5.116 5.140 -0.416 31 HA VAL 5 HA VAL 5 4.391 7.289 -2.389 32 HB VAL 5 HB VAL 5 5.481 5.681 -3.667 33 1HG1 VAL 5 HG13 VAL 5 5.771 4.059 -1.786 34 2HG1 VAL 5 HG12 VAL 5 4.118 3.506 -2.056 35 3HG1 VAL 5 HG11 VAL 5 5.342 3.270 -3.302 36 1HG2 VAL 5 HG21 VAL 5 3.219 6.069 -4.548 37 2HG2 VAL 5 HG23 VAL 5 3.755 4.428 -4.884 38 3HG2 VAL 5 HG22 VAL 5 2.613 4.727 -3.578 39 H THR 6 HN THR 6 2.182 6.863 -3.266 40 HA THR 6 HA THR 6 0.351 6.055 -1.056 41 HB THR 6 HB THR 6 -1.158 7.451 -2.795 42 HG1 THR 6 HG1 THR 6 1.299 8.738 -3.119 43 1HG2 THR 6 HG23 THR 6 0.800 8.453 -0.741 44 2HG2 THR 6 HG22 THR 6 -0.301 9.554 -1.570 45 3HG2 THR 6 HG21 THR 6 -0.944 8.242 -0.580 46 H LEU 7 HN LEU 7 -1.583 4.787 -1.816 47 HA LEU 7 HA LEU 7 -1.036 3.384 -4.395 48 1HB LEU 7 HB2 LEU 7 -1.114 2.460 -1.623 49 2HB LEU 7 HB1 LEU 7 -2.224 1.551 -2.651 50 HG LEU 7 HG LEU 7 -0.498 0.854 -4.094 51 1HD1 LEU 7 HD13 LEU 7 1.086 3.102 -2.886 52 2HD1 LEU 7 HD12 LEU 7 1.871 1.795 -3.773 53 3HD1 LEU 7 HD11 LEU 7 0.694 2.821 -4.578 54 1HD2 LEU 7 HD23 LEU 7 -0.214 0.446 -1.306 55 2HD2 LEU 7 HD22 LEU 7 0.412 -0.577 -2.599 56 3HD2 LEU 7 HD21 LEU 7 1.410 0.716 -1.936 57 H ALA 8 HN ALA 8 -2.945 2.536 -5.413 58 HA ALA 8 HA ALA 8 -5.422 4.014 -4.584 59 1HB ALA 8 HB1 ALA 8 -4.004 4.070 -6.914 60 2HB ALA 8 HB3 ALA 8 -5.196 2.825 -7.288 61 3HB ALA 8 HB2 ALA 8 -5.726 4.438 -6.810 62 H VAL 9 HN VAL 9 -6.496 2.506 -3.279 63 HA VAL 9 HA VAL 9 -7.028 -0.194 -4.482 64 HB VAL 9 HB VAL 9 -5.839 -0.410 -2.419 65 1HG1 VAL 9 HG13 VAL 9 -7.520 1.933 -1.627 66 2HG1 VAL 9 HG12 VAL 9 -6.986 0.834 -0.356 67 3HG1 VAL 9 HG11 VAL 9 -5.798 1.651 -1.372 68 1HG2 VAL 9 HG22 VAL 9 -8.653 -1.089 -2.506 69 2HG2 VAL 9 HG21 VAL 9 -7.319 -1.983 -1.778 70 3HG2 VAL 9 HG23 VAL 9 -8.161 -0.743 -0.849 71 HA PRO 10 HA PRO 10 -11.039 2.057 -4.540 72 1HB PRO 10 HB2 PRO 10 -11.784 0.812 -6.931 73 2HB PRO 10 HB1 PRO 10 -11.005 2.392 -6.790 74 1HG PRO 10 HG2 PRO 10 -9.887 -0.115 -7.785 75 2HG PRO 10 HG1 PRO 10 -9.229 1.520 -7.903 76 1HD PRO 10 HD2 PRO 10 -8.374 -0.600 -6.144 77 2HD PRO 10 HD1 PRO 10 -7.737 1.059 -6.244 78 H GLY 11 HN GLY 11 -10.680 -0.316 -2.893 79 1HA GLY 11 HA2 GLY 11 -12.743 -2.206 -3.859 80 2HA GLY 11 HA1 GLY 11 -11.730 -2.424 -2.432 81 H MET 12 HN MET 12 -12.203 0.246 -1.386 82 HA MET 12 HA MET 12 -13.654 1.035 0.345 83 1HB MET 12 HB2 MET 12 -14.918 1.101 -2.372 84 2HB MET 12 HB1 MET 12 -15.919 1.568 -0.997 85 1HG MET 12 HG2 MET 12 -13.262 2.759 -0.857 86 2HG MET 12 HG1 MET 12 -14.107 3.209 -2.338 87 1HE MET 12 HE2 MET 12 -16.482 3.906 -2.450 88 2HE MET 12 HE1 MET 12 -17.225 2.904 -1.206 89 3HE MET 12 HE3 MET 12 -17.427 4.661 -1.169 90 H THR 13 HN THR 13 -13.519 -1.751 0.477 91 HA THR 13 HA THR 13 -16.019 -3.114 0.366 92 HB THR 13 HB THR 13 -13.513 -3.832 0.720 93 HG1 THR 13 HG1 THR 13 -15.056 -5.381 0.544 94 1HG2 THR 13 HG23 THR 13 -13.904 -2.543 3.118 95 2HG2 THR 13 HG22 THR 13 -14.128 -4.240 3.544 96 3HG2 THR 13 HG21 THR 13 -12.631 -3.712 2.777 97 H CYS 14 HN CYS 14 -14.970 -0.567 2.356 98 HA CYS 14 HA CYS 14 -16.257 0.650 3.932 99 1HB CYS 14 HB2 CYS 14 -18.087 -1.106 2.975 100 2HB CYS 14 HB1 CYS 14 -17.954 -1.680 4.637 101 HG CYS 14 HG CYS 14 -18.330 1.039 5.202 102 H ALA 15 HN ALA 15 -14.459 0.681 5.292 103 HA ALA 15 HA ALA 15 -13.464 0.358 7.411 104 1HB ALA 15 HB2 ALA 15 -16.071 -0.563 7.619 105 2HB ALA 15 HB1 ALA 15 -15.115 -1.932 8.185 106 3HB ALA 15 HB3 ALA 15 -14.947 -0.358 8.962 107 H ALA 16 HN ALA 16 -12.818 -1.357 4.884 108 HA ALA 16 HA ALA 16 -11.066 -3.215 6.403 109 1HB ALA 16 HB1 ALA 16 -13.533 -4.006 5.244 110 2HB ALA 16 HB3 ALA 16 -12.250 -4.711 4.259 111 3HB ALA 16 HB2 ALA 16 -12.312 -5.034 5.990 112 H CYS 17 HN CYS 17 -12.049 -1.956 3.191 113 HA CYS 17 HA CYS 17 -9.953 -2.821 1.578 114 1HB CYS 17 HB2 CYS 17 -11.941 -0.955 1.438 115 2HB CYS 17 HB1 CYS 17 -10.503 0.069 1.428 116 HG CYS 17 HG CYS 17 -10.038 -0.672 -0.880 117 HA PRO 18 HA PRO 18 -7.101 0.670 3.350 118 1HB PRO 18 HB2 PRO 18 -8.041 1.480 5.916 119 2HB PRO 18 HB1 PRO 18 -8.028 2.434 4.429 120 1HG PRO 18 HG2 PRO 18 -10.301 1.352 5.810 121 2HG PRO 18 HG1 PRO 18 -10.285 2.305 4.324 122 1HD PRO 18 HD2 PRO 18 -10.786 -0.535 4.635 123 2HD PRO 18 HD1 PRO 18 -10.893 0.446 3.157 124 H ILE 19 HN ILE 19 -8.685 -1.573 5.572 125 HA ILE 19 HA ILE 19 -6.466 -1.858 7.408 126 HB ILE 19 HB ILE 19 -8.829 -3.636 6.733 127 1HG1 ILE 19 HG12 ILE 19 -9.482 -1.352 7.407 128 2HG1 ILE 19 HG11 ILE 19 -9.896 -2.517 8.664 129 1HG2 ILE 19 HG21 ILE 19 -6.757 -4.509 8.104 130 2HG2 ILE 19 HG23 ILE 19 -7.460 -3.537 9.397 131 3HG2 ILE 19 HG22 ILE 19 -8.394 -4.843 8.669 132 1HD1 ILE 19 HD13 ILE 19 -7.333 -1.816 9.370 133 2HD1 ILE 19 HD12 ILE 19 -7.963 -0.299 8.728 134 3HD1 ILE 19 HD11 ILE 19 -8.794 -1.106 10.057 135 H THR 20 HN THR 20 -7.443 -3.490 4.446 136 HA THR 20 HA THR 20 -5.497 -5.648 4.732 137 HB THR 20 HB THR 20 -7.839 -4.964 3.252 138 HG1 THR 20 HG1 THR 20 -7.134 -6.969 4.298 139 1HG2 THR 20 HG22 THR 20 -5.410 -5.458 1.542 140 2HG2 THR 20 HG21 THR 20 -7.020 -5.924 0.999 141 3HG2 THR 20 HG23 THR 20 -6.661 -4.233 1.347 142 H VAL 21 HN VAL 21 -5.937 -2.879 2.511 143 HA VAL 21 HA VAL 21 -3.501 -3.106 1.134 144 HB VAL 21 HB VAL 21 -5.018 -0.628 2.011 145 1HG1 VAL 21 HG13 VAL 21 -3.039 -1.086 -0.243 146 2HG1 VAL 21 HG12 VAL 21 -3.992 0.382 -0.026 147 3HG1 VAL 21 HG11 VAL 21 -2.786 -0.074 1.178 148 1HG2 VAL 21 HG21 VAL 21 -5.731 -2.787 0.281 149 2HG2 VAL 21 HG23 VAL 21 -6.625 -1.297 0.582 150 3HG2 VAL 21 HG22 VAL 21 -5.440 -1.366 -0.723 151 H LYS 22 HN LYS 22 -4.263 -1.439 4.172 152 HA LYS 22 HA LYS 22 -1.726 -0.285 4.693 153 1HB LYS 22 HB2 LYS 22 -3.671 0.219 6.034 154 2HB LYS 22 HB1 LYS 22 -3.878 -1.478 6.469 155 1HG LYS 22 HG2 LYS 22 -2.483 -1.244 8.219 156 2HG LYS 22 HG1 LYS 22 -1.212 -0.628 7.162 157 1HD LYS 22 HD2 LYS 22 -2.122 1.629 7.311 158 2HD LYS 22 HD1 LYS 22 -3.489 1.048 8.262 159 1HE LYS 22 HE2 LYS 22 -0.783 0.367 9.312 160 2HE LYS 22 HE1 LYS 22 -1.271 2.069 9.421 161 1HZ LYS 22 HZ2 LYS 22 -3.514 0.583 10.064 162 2HZ LYS 22 HZ1 LYS 22 -2.235 -0.152 10.907 163 3HZ LYS 22 HZ3 LYS 22 -2.557 1.498 11.128 164 H LYS 23 HN LYS 23 -2.968 -3.372 6.026 165 HA LYS 23 HA LYS 23 -0.304 -4.265 6.776 166 1HB LYS 23 HB2 LYS 23 -1.485 -6.106 7.683 167 2HB LYS 23 HB1 LYS 23 -2.628 -4.770 7.799 168 1HG LYS 23 HG2 LYS 23 -4.090 -6.042 6.646 169 2HG LYS 23 HG1 LYS 23 -3.044 -5.841 5.240 170 1HD LYS 23 HD2 LYS 23 -1.725 -7.821 5.972 171 2HD LYS 23 HD1 LYS 23 -2.849 -8.045 7.312 172 1HE LYS 23 HE2 LYS 23 -4.708 -8.383 5.743 173 2HE LYS 23 HE1 LYS 23 -3.621 -8.086 4.371 174 1HZ LYS 23 HZ1 LYS 23 -2.805 -10.052 6.381 175 2HZ LYS 23 HZ3 LYS 23 -4.016 -10.509 5.285 176 3HZ LYS 23 HZ2 LYS 23 -2.494 -10.020 4.711 177 H ALA 24 HN ALA 24 -1.542 -3.952 3.730 178 HA ALA 24 HA ALA 24 -0.802 -6.597 2.723 179 1HB ALA 24 HB3 ALA 24 -1.639 -3.979 1.445 180 2HB ALA 24 HB2 ALA 24 -1.384 -5.472 0.541 181 3HB ALA 24 HB1 ALA 24 -2.672 -5.376 1.743 182 H LEU 25 HN LEU 25 0.161 -3.348 1.801 183 HA LEU 25 HA LEU 25 2.773 -4.213 0.896 184 1HB LEU 25 HB2 LEU 25 3.059 -1.613 0.800 185 2HB LEU 25 HB1 LEU 25 1.940 -2.388 -0.306 186 HG LEU 25 HG LEU 25 1.240 -0.247 1.020 187 1HD1 LEU 25 HD11 LEU 25 -0.500 -2.636 0.543 188 2HD1 LEU 25 HD13 LEU 25 -1.136 -1.081 1.074 189 3HD1 LEU 25 HD12 LEU 25 -0.285 -1.212 -0.458 190 1HD2 LEU 25 HD21 LEU 25 1.835 -1.344 3.228 191 2HD2 LEU 25 HD23 LEU 25 0.297 -0.498 3.133 192 3HD2 LEU 25 HD22 LEU 25 0.339 -2.251 3.053 193 H SER 26 HN SER 26 1.410 -3.475 3.918 194 HA SER 26 HA SER 26 3.899 -2.464 5.144 195 1HB SER 26 HB2 SER 26 1.680 -1.698 5.880 196 2HB SER 26 HB1 SER 26 1.226 -3.353 6.271 197 HG SER 26 HG SER 26 3.364 -3.126 7.570 198 H LYS 27 HN LYS 27 2.102 -5.555 4.918 199 HA LYS 27 HA LYS 27 4.046 -6.785 6.772 200 1HB LYS 27 HB2 LYS 27 2.223 -8.017 7.249 201 2HB LYS 27 HB1 LYS 27 1.346 -7.223 5.957 202 1HG LYS 27 HG2 LYS 27 3.224 -9.513 5.387 203 2HG LYS 27 HG1 LYS 27 1.549 -9.797 5.854 204 1HD LYS 27 HD2 LYS 27 1.562 -7.769 3.844 205 2HD LYS 27 HD1 LYS 27 2.564 -9.104 3.274 206 1HE LYS 27 HE2 LYS 27 -0.031 -9.831 4.563 207 2HE LYS 27 HE1 LYS 27 -0.100 -9.123 2.937 208 1HZ LYS 27 HZ2 LYS 27 1.960 -10.758 2.646 209 2HZ LYS 27 HZ1 LYS 27 1.093 -11.634 3.815 210 3HZ LYS 27 HZ3 LYS 27 0.362 -11.244 2.336 211 H VAL 28 HN VAL 28 3.823 -6.201 3.441 212 HA VAL 28 HA VAL 28 4.745 -8.401 2.059 213 HB VAL 28 HB VAL 28 5.486 -5.484 2.054 214 1HG1 VAL 28 HG13 VAL 28 6.973 -7.686 0.742 215 2HG1 VAL 28 HG12 VAL 28 6.541 -6.338 -0.308 216 3HG1 VAL 28 HG11 VAL 28 7.503 -6.052 1.141 217 1HG2 VAL 28 HG23 VAL 28 3.313 -6.505 1.127 218 2HG2 VAL 28 HG22 VAL 28 4.213 -5.437 0.050 219 3HG2 VAL 28 HG21 VAL 28 4.319 -7.186 -0.151 220 H GLU 29 HN GLU 29 7.288 -6.138 3.005 221 HA GLU 29 HA GLU 29 8.754 -7.767 4.818 222 1HB GLU 29 HB2 GLU 29 8.809 -8.515 1.978 223 2HB GLU 29 HB1 GLU 29 10.420 -8.285 2.660 224 1HG GLU 29 HG2 GLU 29 8.777 -9.716 4.542 225 2HG GLU 29 HG1 GLU 29 8.729 -10.529 2.978 226 H GLY 30 HN GLY 30 9.509 -5.974 1.803 227 1HA GLY 30 HA2 GLY 30 11.735 -4.574 3.000 228 2HA GLY 30 HA1 GLY 30 10.984 -4.177 1.454 229 H VAL 31 HN VAL 31 8.289 -3.994 2.785 230 HA VAL 31 HA VAL 31 8.177 -1.195 3.242 231 HB VAL 31 HB VAL 31 6.294 -2.713 2.699 232 1HG1 VAL 31 HG13 VAL 31 7.169 -4.424 4.456 233 2HG1 VAL 31 HG12 VAL 31 6.254 -3.462 5.615 234 3HG1 VAL 31 HG11 VAL 31 5.427 -4.238 4.263 235 1HG2 VAL 31 HG21 VAL 31 6.203 -0.409 4.044 236 2HG2 VAL 31 HG23 VAL 31 4.743 -1.359 3.773 237 3HG2 VAL 31 HG22 VAL 31 5.582 -1.454 5.321 238 H SER 32 HN SER 32 8.302 0.052 4.976 239 HA SER 32 HA SER 32 9.161 -1.232 7.548 240 1HB SER 32 HB2 SER 32 10.362 0.766 5.812 241 2HB SER 32 HB1 SER 32 10.135 1.401 7.439 242 HG SER 32 HG SER 32 11.595 -0.856 6.574 243 H LYS 33 HN LYS 33 6.877 0.728 5.973 244 HA LYS 33 HA LYS 33 5.502 1.257 8.520 245 1HB LYS 33 HB2 LYS 33 6.839 3.125 8.780 246 2HB LYS 33 HB1 LYS 33 7.114 3.299 7.051 247 1HG LYS 33 HG2 LYS 33 4.873 4.213 6.743 248 2HG LYS 33 HG1 LYS 33 4.488 3.917 8.439 249 1HD LYS 33 HD2 LYS 33 5.793 5.666 9.189 250 2HD LYS 33 HD1 LYS 33 6.905 5.560 7.825 251 1HE LYS 33 HE2 LYS 33 5.738 7.132 6.686 252 2HE LYS 33 HE1 LYS 33 4.225 6.233 6.913 253 1HZ LYS 33 HZ2 LYS 33 4.502 7.046 9.354 254 2HZ LYS 33 HZ1 LYS 33 5.450 8.266 8.648 255 3HZ LYS 33 HZ3 LYS 33 3.826 8.083 8.191 256 H VAL 34 HN VAL 34 3.388 2.491 8.056 257 HA VAL 34 HA VAL 34 2.478 2.653 5.296 258 HB VAL 34 HB VAL 34 2.643 0.219 5.698 259 1HG1 VAL 34 HG13 VAL 34 0.953 0.979 8.061 260 2HG1 VAL 34 HG12 VAL 34 0.766 -0.620 7.341 261 3HG1 VAL 34 HG11 VAL 34 2.330 -0.121 7.984 262 1HG2 VAL 34 HG22 VAL 34 0.840 1.211 4.244 263 2HG2 VAL 34 HG21 VAL 34 0.402 -0.338 4.959 264 3HG2 VAL 34 HG23 VAL 34 -0.242 1.154 5.637 265 H ASP 35 HN ASP 35 0.219 3.318 5.160 266 HA ASP 35 HA ASP 35 -1.263 3.885 7.638 267 1HB ASP 35 HB2 ASP 35 0.618 5.719 6.613 268 2HB ASP 35 HB1 ASP 35 -0.960 6.354 6.144 269 H VAL 36 HN VAL 36 -3.439 4.825 7.079 270 HA VAL 36 HA VAL 36 -4.214 4.107 4.271 271 HB VAL 36 HB VAL 36 -6.377 3.495 5.275 272 1HG1 VAL 36 HG12 VAL 36 -4.114 2.057 5.425 273 2HG1 VAL 36 HG11 VAL 36 -4.436 2.228 7.151 274 3HG1 VAL 36 HG13 VAL 36 -5.637 1.478 6.099 275 1HG2 VAL 36 HG22 VAL 36 -5.334 5.106 7.442 276 2HG2 VAL 36 HG21 VAL 36 -6.976 4.513 7.196 277 3HG2 VAL 36 HG23 VAL 36 -5.793 3.511 8.036 278 H GLY 37 HN GLY 37 -5.770 5.474 3.232 279 1HA GLY 37 HA2 GLY 37 -6.509 7.993 4.613 280 2HA GLY 37 HA1 GLY 37 -5.600 8.123 3.106 281 H PHE 38 HN PHE 38 -8.609 6.828 4.491 282 HA PHE 38 HA PHE 38 -9.861 5.997 2.087 283 1HB PHE 38 HB2 PHE 38 -10.467 6.320 4.823 284 2HB PHE 38 HB1 PHE 38 -11.701 7.234 3.954 285 HD1 PHE 38 HD1 PHE 38 -11.877 5.687 1.424 286 HD2 PHE 38 HD2 PHE 38 -11.595 4.344 5.494 287 HE1 PHE 38 HE1 PHE 38 -13.014 3.572 0.804 288 HE2 PHE 38 HE2 PHE 38 -12.733 2.228 4.874 289 HZ PHE 38 HZ PHE 38 -13.451 1.843 2.532 290 H GLU 39 HN GLU 39 -9.129 9.198 3.223 291 HA GLU 39 HA GLU 39 -11.124 10.801 2.070 292 1HB GLU 39 HB2 GLU 39 -8.530 11.069 3.133 293 2HB GLU 39 HB1 GLU 39 -8.443 11.798 1.529 294 1HG GLU 39 HG2 GLU 39 -10.500 12.463 3.655 295 2HG GLU 39 HG1 GLU 39 -9.122 13.469 3.210 296 H LYS 40 HN LYS 40 -8.201 9.469 0.508 297 HA LYS 40 HA LYS 40 -9.483 9.969 -2.155 298 1HB LYS 40 HB2 LYS 40 -6.675 10.100 -1.089 299 2HB LYS 40 HB1 LYS 40 -6.930 9.770 -2.804 300 1HG LYS 40 HG2 LYS 40 -7.609 11.894 -3.234 301 2HG LYS 40 HG1 LYS 40 -8.565 11.983 -1.755 302 1HD LYS 40 HD2 LYS 40 -6.549 12.389 -0.433 303 2HD LYS 40 HD1 LYS 40 -5.544 12.211 -1.872 304 1HE LYS 40 HE2 LYS 40 -7.667 14.348 -1.460 305 2HE LYS 40 HE1 LYS 40 -5.911 14.601 -1.415 306 1HZ LYS 40 HZ3 LYS 40 -5.920 13.463 -3.679 307 2HZ LYS 40 HZ2 LYS 40 -7.591 13.772 -3.704 308 3HZ LYS 40 HZ1 LYS 40 -6.488 15.060 -3.615 309 H ARG 41 HN ARG 41 -9.670 7.625 -0.242 310 HA ARG 41 HA ARG 41 -9.436 5.275 -0.269 311 1HB ARG 41 HB2 ARG 41 -10.790 6.351 -2.463 312 2HB ARG 41 HB1 ARG 41 -9.716 5.141 -3.166 313 1HG ARG 41 HG2 ARG 41 -11.725 4.702 -0.936 314 2HG ARG 41 HG1 ARG 41 -11.804 4.048 -2.572 315 1HD ARG 41 HD2 ARG 41 -10.811 2.219 -1.574 316 2HD ARG 41 HD1 ARG 41 -9.333 3.166 -1.804 317 HE ARG 41 HE ARG 41 -10.568 4.082 0.584 318 1HH1 ARG 41 HH21 ARG 41 -9.173 1.195 -0.693 319 2HH1 ARG 41 HH22 ARG 41 -8.661 0.610 0.849 320 1HH2 ARG 41 HH11 ARG 41 -9.895 3.324 2.594 321 2HH2 ARG 41 HH12 ARG 41 -9.062 1.811 2.694 322 H GLU 42 HN GLU 42 -6.932 6.126 -0.040 323 HA GLU 42 HA GLU 42 -5.425 4.340 -1.870 324 1HB GLU 42 HB2 GLU 42 -3.746 6.310 -2.077 325 2HB GLU 42 HB1 GLU 42 -5.233 6.414 -3.020 326 1HG GLU 42 HG2 GLU 42 -6.079 8.123 -1.754 327 2HG GLU 42 HG1 GLU 42 -5.361 7.512 -0.263 328 H ALA 43 HN ALA 43 -3.316 3.736 -0.936 329 HA ALA 43 HA ALA 43 -3.219 4.256 2.020 330 1HB ALA 43 HB3 ALA 43 -2.414 1.947 0.238 331 2HB ALA 43 HB2 ALA 43 -1.890 2.055 1.918 332 3HB ALA 43 HB1 ALA 43 -3.608 1.953 1.536 333 H VAL 44 HN VAL 44 -1.310 5.106 2.877 334 HA VAL 44 HA VAL 44 0.824 5.792 0.895 335 HB VAL 44 HB VAL 44 -0.429 7.577 2.172 336 1HG1 VAL 44 HG13 VAL 44 -0.447 6.025 4.275 337 2HG1 VAL 44 HG12 VAL 44 1.146 6.714 4.585 338 3HG1 VAL 44 HG11 VAL 44 -0.268 7.764 4.502 339 1HG2 VAL 44 HG23 VAL 44 2.397 7.253 1.802 340 2HG2 VAL 44 HG22 VAL 44 1.459 8.746 1.800 341 3HG2 VAL 44 HG21 VAL 44 2.127 8.128 3.310 342 H VAL 45 HN VAL 45 2.280 4.123 0.950 343 HA VAL 45 HA VAL 45 3.074 3.025 3.611 344 HB VAL 45 HB VAL 45 2.074 1.653 1.695 345 1HG1 VAL 45 HG12 VAL 45 3.502 2.814 -0.043 346 2HG1 VAL 45 HG11 VAL 45 4.877 1.908 0.588 347 3HG1 VAL 45 HG13 VAL 45 3.512 1.053 -0.130 348 1HG2 VAL 45 HG22 VAL 45 4.418 1.114 3.387 349 2HG2 VAL 45 HG21 VAL 45 2.963 0.147 3.146 350 3HG2 VAL 45 HG23 VAL 45 4.293 0.041 1.993 351 H THR 46 HN THR 46 5.223 2.818 4.151 352 HA THR 46 HA THR 46 7.225 4.320 2.498 353 HB THR 46 HB THR 46 6.648 4.034 5.442 354 HG1 THR 46 HG1 THR 46 5.970 5.930 4.763 355 1HG2 THR 46 HG21 THR 46 9.331 4.355 4.155 356 2HG2 THR 46 HG23 THR 46 8.992 5.245 5.638 357 3HG2 THR 46 HG22 THR 46 8.891 3.485 5.624 358 H PHE 47 HN PHE 47 9.378 3.212 2.413 359 HA PHE 47 HA PHE 47 9.662 0.624 3.710 360 1HB PHE 47 HB2 PHE 47 9.400 -0.729 1.680 361 2HB PHE 47 HB1 PHE 47 7.922 0.174 2.009 362 HD1 PHE 47 HD2 PHE 47 11.038 0.165 -0.057 363 HD2 PHE 47 HD1 PHE 47 7.091 1.780 0.496 364 HE1 PHE 47 HE2 PHE 47 11.164 1.228 -2.285 365 HE2 PHE 47 HE1 PHE 47 7.212 2.841 -1.738 366 HZ PHE 47 HZ PHE 47 9.237 2.564 -3.131 367 H ASP 48 HN ASP 48 11.401 -0.688 2.404 368 HA ASP 48 HA ASP 48 13.607 1.227 1.798 369 1HB ASP 48 HB2 ASP 48 14.974 -0.931 2.287 370 2HB ASP 48 HB1 ASP 48 14.182 -0.148 3.652 371 H ASP 49 HN ASP 49 13.864 1.441 -0.376 372 HA ASP 49 HA ASP 49 12.697 -0.381 -2.263 373 1HB ASP 49 HB2 ASP 49 12.999 1.896 -2.880 374 2HB ASP 49 HB1 ASP 49 14.696 1.882 -2.398 375 H THR 50 HN THR 50 15.424 -0.781 -0.373 376 HA THR 50 HA THR 50 17.283 -1.976 -2.213 377 HB THR 50 HB THR 50 17.916 -1.213 0.014 378 HG1 THR 50 HG1 THR 50 17.983 -4.042 -0.175 379 1HG2 THR 50 HG21 THR 50 15.474 -2.359 0.766 380 2HG2 THR 50 HG23 THR 50 16.698 -3.349 1.562 381 3HG2 THR 50 HG22 THR 50 16.657 -1.608 1.838 382 H LYS 51 HN LYS 51 14.204 -3.000 -1.228 383 HA LYS 51 HA LYS 51 14.817 -5.782 -2.107 384 1HB LYS 51 HB2 LYS 51 13.619 -4.758 0.423 385 2HB LYS 51 HB1 LYS 51 12.984 -6.268 -0.232 386 1HG LYS 51 HG2 LYS 51 15.405 -7.059 -0.407 387 2HG LYS 51 HG1 LYS 51 15.836 -5.654 0.569 388 1HD LYS 51 HD2 LYS 51 15.123 -6.650 2.461 389 2HD LYS 51 HD1 LYS 51 13.582 -7.085 1.722 390 1HE LYS 51 HE2 LYS 51 14.265 -9.221 1.335 391 2HE LYS 51 HE1 LYS 51 15.835 -8.683 0.704 392 1HZ LYS 51 HZ2 LYS 51 15.361 -8.233 3.539 393 2HZ LYS 51 HZ1 LYS 51 15.561 -9.856 3.076 394 3HZ LYS 51 HZ3 LYS 51 16.778 -8.723 2.740 395 H ALA 52 HN ALA 52 12.162 -3.585 -1.271 396 HA ALA 52 HA ALA 52 10.693 -4.566 -3.693 397 1HB ALA 52 HB2 ALA 52 9.968 -4.421 -0.815 398 2HB ALA 52 HB1 ALA 52 8.712 -3.970 -1.965 399 3HB ALA 52 HB3 ALA 52 9.446 -5.569 -2.048 400 H SER 53 HN SER 53 8.498 -2.851 -3.399 401 HA SER 53 HA SER 53 8.957 -0.139 -2.848 402 1HB SER 53 HB2 SER 53 9.510 0.480 -5.356 403 2HB SER 53 HB1 SER 53 10.811 -0.023 -4.282 404 HG SER 53 HG SER 53 10.803 -1.145 -6.300 405 H VAL 54 HN VAL 54 7.710 1.184 -4.862 406 HA VAL 54 HA VAL 54 5.021 0.889 -4.663 407 HB VAL 54 HB VAL 54 6.854 1.602 -6.929 408 1HG1 VAL 54 HG12 VAL 54 3.886 1.190 -7.094 409 2HG1 VAL 54 HG11 VAL 54 4.616 2.528 -7.983 410 3HG1 VAL 54 HG13 VAL 54 5.126 0.871 -8.305 411 1HG2 VAL 54 HG22 VAL 54 4.932 3.019 -5.087 412 2HG2 VAL 54 HG21 VAL 54 6.673 3.255 -5.238 413 3HG2 VAL 54 HG23 VAL 54 5.592 3.809 -6.517 414 H GLN 55 HN GLN 55 6.785 -0.741 -7.335 415 HA GLN 55 HA GLN 55 4.776 -2.268 -8.443 416 1HB GLN 55 HB2 GLN 55 6.987 -2.334 -9.325 417 2HB GLN 55 HB1 GLN 55 7.662 -2.899 -7.797 418 1HG GLN 55 HG2 GLN 55 6.746 -5.066 -8.060 419 2HG GLN 55 HG1 GLN 55 5.620 -4.530 -9.307 420 1HE2 GLN 55 HE22 GLN 55 8.061 -5.981 -11.492 421 2HE2 GLN 55 HE21 GLN 55 6.583 -6.272 -10.709 422 H LYS 56 HN LYS 56 6.678 -3.222 -5.554 423 HA LYS 56 HA LYS 56 5.090 -5.631 -5.139 424 1HB LYS 56 HB2 LYS 56 7.207 -5.945 -4.333 425 2HB LYS 56 HB1 LYS 56 7.436 -4.233 -3.998 426 1HG LYS 56 HG2 LYS 56 5.567 -5.873 -2.298 427 2HG LYS 56 HG1 LYS 56 7.304 -5.893 -1.989 428 1HD LYS 56 HD2 LYS 56 6.820 -3.204 -2.277 429 2HD LYS 56 HD1 LYS 56 5.337 -3.754 -1.500 430 1HE LYS 56 HE2 LYS 56 6.397 -4.203 0.477 431 2HE LYS 56 HE1 LYS 56 7.818 -4.882 -0.339 432 1HZ LYS 56 HZ2 LYS 56 7.628 -2.156 -0.992 433 2HZ LYS 56 HZ1 LYS 56 7.510 -2.297 0.696 434 3HZ LYS 56 HZ3 LYS 56 8.851 -2.943 -0.115 435 H LEU 57 HN LEU 57 4.840 -2.306 -3.984 436 HA LEU 57 HA LEU 57 3.227 -2.933 -1.657 437 1HB LEU 57 HB2 LEU 57 3.441 -0.425 -3.360 438 2HB LEU 57 HB1 LEU 57 2.798 -0.503 -1.722 439 HG LEU 57 HG LEU 57 5.646 -1.239 -2.492 440 1HD1 LEU 57 HD13 LEU 57 4.308 1.302 -1.852 441 2HD1 LEU 57 HD12 LEU 57 5.713 0.973 -0.838 442 3HD1 LEU 57 HD11 LEU 57 5.883 1.018 -2.593 443 1HD2 LEU 57 HD21 LEU 57 4.489 -2.279 -0.390 444 2HD2 LEU 57 HD23 LEU 57 6.057 -1.503 -0.175 445 3HD2 LEU 57 HD22 LEU 57 4.585 -0.651 0.280 446 H THR 58 HN THR 58 2.421 -1.541 -4.856 447 HA THR 58 HA THR 58 -0.398 -1.715 -4.673 448 HB THR 58 HB THR 58 1.601 -1.866 -6.943 449 HG1 THR 58 HG1 THR 58 0.044 0.076 -5.677 450 1HG2 THR 58 HG22 THR 58 -0.526 -3.030 -7.567 451 2HG2 THR 58 HG21 THR 58 -1.403 -1.549 -7.182 452 3HG2 THR 58 HG23 THR 58 -0.238 -1.563 -8.504 453 H LYS 59 HN LYS 59 2.041 -4.162 -5.459 454 HA LYS 59 HA LYS 59 0.147 -6.121 -6.405 455 1HB LYS 59 HB2 LYS 59 2.775 -5.766 -6.676 456 2HB LYS 59 HB1 LYS 59 2.817 -6.838 -5.277 457 1HG LYS 59 HG2 LYS 59 1.954 -8.631 -6.450 458 2HG LYS 59 HG1 LYS 59 1.052 -7.602 -7.563 459 1HD LYS 59 HD2 LYS 59 2.716 -7.780 -9.065 460 2HD LYS 59 HD1 LYS 59 3.820 -7.023 -7.917 461 1HE LYS 59 HE2 LYS 59 3.468 -9.694 -7.023 462 2HE LYS 59 HE1 LYS 59 3.757 -9.775 -8.773 463 1HZ LYS 59 HZ2 LYS 59 5.489 -7.913 -8.181 464 2HZ LYS 59 HZ1 LYS 59 5.462 -8.669 -6.660 465 3HZ LYS 59 HZ3 LYS 59 5.894 -9.556 -8.039 466 H ALA 60 HN ALA 60 1.568 -5.299 -3.277 467 HA ALA 60 HA ALA 60 0.764 -7.687 -1.911 468 1HB ALA 60 HB2 ALA 60 2.484 -5.859 -1.292 469 2HB ALA 60 HB1 ALA 60 1.099 -4.935 -0.711 470 3HB ALA 60 HB3 ALA 60 1.490 -6.492 0.020 471 H THR 61 HN THR 61 -0.733 -4.480 -2.325 472 HA THR 61 HA THR 61 -3.072 -5.141 -0.739 473 HB THR 61 HB THR 61 -2.096 -2.840 -1.246 474 HG1 THR 61 HG1 THR 61 -4.533 -3.585 -0.889 475 1HG2 THR 61 HG23 THR 61 -3.412 -3.394 -3.918 476 2HG2 THR 61 HG22 THR 61 -2.785 -1.830 -3.400 477 3HG2 THR 61 HG21 THR 61 -1.683 -3.186 -3.636 478 H ALA 62 HN ALA 62 -2.099 -5.305 -4.070 479 HA ALA 62 HA ALA 62 -4.647 -5.891 -5.247 480 1HB ALA 62 HB2 ALA 62 -1.783 -6.572 -5.989 481 2HB ALA 62 HB1 ALA 62 -3.155 -6.832 -7.066 482 3HB ALA 62 HB3 ALA 62 -2.723 -5.197 -6.567 483 H ASP 63 HN ASP 63 -2.199 -7.777 -3.576 484 HA ASP 63 HA ASP 63 -3.583 -10.328 -4.151 485 1HB ASP 63 HB2 ASP 63 -0.969 -9.367 -3.260 486 2HB ASP 63 HB1 ASP 63 -1.546 -10.714 -2.276 487 H ALA 64 HN ALA 64 -3.765 -7.780 -1.914 488 HA ALA 64 HA ALA 64 -4.518 -9.389 0.422 489 1HB ALA 64 HB2 ALA 64 -3.378 -7.106 0.388 490 2HB ALA 64 HB1 ALA 64 -4.924 -6.434 -0.133 491 3HB ALA 64 HB3 ALA 64 -4.788 -7.218 1.441 492 H GLY 65 HN GLY 65 -6.034 -7.935 -2.357 493 1HA GLY 65 HA2 GLY 65 -8.311 -9.210 -2.664 494 2HA GLY 65 HA1 GLY 65 -8.720 -8.394 -1.161 495 H TYR 66 HN TYR 66 -6.732 -6.474 -3.254 496 HA TYR 66 HA TYR 66 -9.145 -5.222 -4.486 497 1HB TYR 66 HB2 TYR 66 -7.074 -3.816 -2.783 498 2HB TYR 66 HB1 TYR 66 -8.422 -3.036 -3.605 499 HD1 TYR 66 HD1 TYR 66 -10.785 -4.095 -3.083 500 HD2 TYR 66 HD2 TYR 66 -7.296 -4.423 -0.622 501 HE1 TYR 66 HE1 TYR 66 -12.221 -4.515 -1.122 502 HE2 TYR 66 HE2 TYR 66 -8.718 -4.827 1.349 503 HH TYR 66 HH TYR 66 -10.941 -5.611 1.893 504 HA PRO 67 HA PRO 67 -5.973 -5.178 -7.751 505 1HB PRO 67 HB2 PRO 67 -7.972 -3.852 -9.374 506 2HB PRO 67 HB1 PRO 67 -7.371 -5.505 -9.531 507 1HG PRO 67 HG2 PRO 67 -9.940 -4.670 -8.595 508 2HG PRO 67 HG1 PRO 67 -9.312 -6.317 -8.692 509 1HD PRO 67 HD2 PRO 67 -9.784 -4.738 -6.318 510 2HD PRO 67 HD1 PRO 67 -9.156 -6.402 -6.417 511 H SER 68 HN SER 68 -4.695 -3.505 -6.759 512 HA SER 68 HA SER 68 -5.807 -0.738 -6.865 513 1HB SER 68 HB2 SER 68 -4.603 -0.403 -4.925 514 2HB SER 68 HB1 SER 68 -4.804 -2.148 -4.827 515 HG SER 68 HG SER 68 -2.555 -0.656 -5.216 516 H SER 69 HN SER 69 -3.559 0.731 -6.678 517 HA SER 69 HA SER 69 -1.706 0.121 -8.904 518 1HB SER 69 HB2 SER 69 -2.384 2.010 -10.176 519 2HB SER 69 HB1 SER 69 -3.909 1.293 -9.661 520 HG SER 69 HG SER 69 -4.250 3.212 -8.861 521 H VAL 70 HN VAL 70 -0.511 2.640 -9.005 522 HA VAL 70 HA VAL 70 0.069 3.304 -6.170 523 HB VAL 70 HB VAL 70 1.482 1.502 -7.358 524 1HG1 VAL 70 HG12 VAL 70 1.696 3.272 -9.349 525 2HG1 VAL 70 HG11 VAL 70 3.098 3.783 -8.410 526 3HG1 VAL 70 HG13 VAL 70 2.986 2.123 -8.994 527 1HG2 VAL 70 HG21 VAL 70 2.121 3.603 -5.497 528 2HG2 VAL 70 HG23 VAL 70 2.746 1.954 -5.545 529 3HG2 VAL 70 HG22 VAL 70 3.548 3.230 -6.461 530 H LYS 71 HN LYS 71 1.155 5.381 -5.900 531 HA LYS 71 HA LYS 71 0.925 7.154 -8.310 532 1HB LYS 71 HB2 LYS 71 0.530 8.311 -5.600 533 2HB LYS 71 HB1 LYS 71 -0.319 8.677 -7.099 534 1HG LYS 71 HG2 LYS 71 -1.594 6.592 -6.912 535 2HG LYS 71 HG1 LYS 71 -0.711 6.168 -5.444 536 1HD LYS 71 HD2 LYS 71 -2.298 7.269 -4.287 537 2HD LYS 71 HD1 LYS 71 -1.645 8.758 -4.971 538 1HE LYS 71 HE2 LYS 71 -3.659 9.051 -5.980 539 2HE LYS 71 HE1 LYS 71 -3.252 7.665 -7.012 540 1HZ LYS 71 HZ2 LYS 71 -4.039 6.203 -5.201 541 2HZ LYS 71 HZ1 LYS 71 -4.576 7.574 -4.354 542 3HZ LYS 71 HZ3 LYS 71 -5.275 7.174 -5.846 543 H GLN 72 HN GLN 72 3.104 5.673 -6.995 544 HA GLN 72 HA GLN 72 5.327 6.039 -6.183 545 1HB GLN 72 HB2 GLN 72 4.947 8.331 -8.138 546 2HB GLN 72 HB1 GLN 72 6.474 7.551 -7.724 547 1HG GLN 72 HG2 GLN 72 5.950 5.599 -8.884 548 2HG GLN 72 HG1 GLN 72 4.212 5.880 -8.772 549 1HE2 GLN 72 HE22 GLN 72 5.714 6.799 -12.207 550 2HE2 GLN 72 HE21 GLN 72 6.063 5.477 -11.201 No H/Q in entry = 550 Start of MODEL 18 1 1H ALA 1 HT3 ALA 1 16.952 4.727 4.880 2 2H ALA 1 HT2 ALA 1 18.469 5.283 4.354 3 3H ALA 1 HT1 ALA 1 17.121 6.317 4.316 4 HA ALA 1 HA ALA 1 17.056 5.721 2.142 5 1HB ALA 1 HB2 ALA 1 19.230 4.509 2.622 6 2HB ALA 1 HB1 ALA 1 18.269 3.072 2.973 7 3HB ALA 1 HB3 ALA 1 18.248 3.775 1.355 8 H THR 2 HN THR 2 14.810 5.524 3.695 9 HA THR 2 HA THR 2 13.625 2.897 3.228 10 HB THR 2 HB THR 2 13.668 4.077 5.471 11 HG1 THR 2 HG1 THR 2 11.424 3.773 5.831 12 1HG2 THR 2 HG23 THR 2 12.833 6.243 3.824 13 2HG2 THR 2 HG22 THR 2 11.530 5.901 4.962 14 3HG2 THR 2 HG21 THR 2 13.151 6.255 5.558 15 H GLN 3 HN GLN 3 11.198 4.614 3.354 16 HA GLN 3 HA GLN 3 11.074 6.230 0.980 17 1HB GLN 3 HB2 GLN 3 10.803 3.339 0.787 18 2HB GLN 3 HB1 GLN 3 9.395 4.178 0.136 19 1HG GLN 3 HG2 GLN 3 12.056 5.289 -0.584 20 2HG GLN 3 HG1 GLN 3 11.610 3.753 -1.328 21 1HE2 GLN 3 HE22 GLN 3 9.722 5.511 -3.730 22 2HE2 GLN 3 HE21 GLN 3 10.885 4.317 -3.411 23 H THR 4 HN THR 4 8.990 7.145 0.625 24 HA THR 4 HA THR 4 6.805 6.378 2.501 25 HB THR 4 HB THR 4 7.972 9.164 2.149 26 HG1 THR 4 HG1 THR 4 9.219 7.713 3.433 27 1HG2 THR 4 HG22 THR 4 5.664 8.089 3.783 28 2HG2 THR 4 HG21 THR 4 6.409 9.659 4.086 29 3HG2 THR 4 HG23 THR 4 5.613 9.344 2.545 30 H VAL 5 HN VAL 5 5.268 5.870 0.954 31 HA VAL 5 HA VAL 5 4.564 7.979 -1.068 32 HB VAL 5 HB VAL 5 4.605 5.043 -1.720 33 1HG1 VAL 5 HG13 VAL 5 4.777 7.615 -3.299 34 2HG1 VAL 5 HG12 VAL 5 4.978 6.018 -4.016 35 3HG1 VAL 5 HG11 VAL 5 3.439 6.467 -3.278 36 1HG2 VAL 5 HG23 VAL 5 6.921 6.988 -1.988 37 2HG2 VAL 5 HG22 VAL 5 6.879 5.571 -0.939 38 3HG2 VAL 5 HG21 VAL 5 6.871 5.372 -2.692 39 H THR 6 HN THR 6 2.386 7.579 -1.949 40 HA THR 6 HA THR 6 0.609 6.299 0.065 41 HB THR 6 HB THR 6 -1.037 7.828 -1.261 42 HG1 THR 6 HG1 THR 6 1.337 9.226 -1.811 43 1HG2 THR 6 HG23 THR 6 0.951 8.480 0.807 44 2HG2 THR 6 HG22 THR 6 0.245 9.880 0.001 45 3HG2 THR 6 HG21 THR 6 -0.798 8.714 0.814 46 H LEU 7 HN LEU 7 -1.321 5.211 -0.985 47 HA LEU 7 HA LEU 7 -0.693 4.309 -3.763 48 1HB LEU 7 HB2 LEU 7 -0.592 2.820 -1.281 49 2HB LEU 7 HB1 LEU 7 -1.791 2.116 -2.363 50 HG LEU 7 HG LEU 7 -0.175 1.866 -4.108 51 1HD1 LEU 7 HD12 LEU 7 1.494 3.641 -2.365 52 2HD1 LEU 7 HD11 LEU 7 2.246 2.587 -3.563 53 3HD1 LEU 7 HD13 LEU 7 1.099 3.820 -4.068 54 1HD2 LEU 7 HD22 LEU 7 0.886 1.091 -1.395 55 2HD2 LEU 7 HD21 LEU 7 0.066 0.062 -2.572 56 3HD2 LEU 7 HD23 LEU 7 1.710 0.620 -2.879 57 H ALA 8 HN ALA 8 -2.576 3.513 -4.891 58 HA ALA 8 HA ALA 8 -5.117 4.698 -3.830 59 1HB ALA 8 HB3 ALA 8 -3.870 4.314 -6.541 60 2HB ALA 8 HB2 ALA 8 -5.619 4.501 -6.408 61 3HB ALA 8 HB1 ALA 8 -4.549 5.778 -5.831 62 H VAL 9 HN VAL 9 -6.257 3.012 -2.869 63 HA VAL 9 HA VAL 9 -6.461 0.439 -4.402 64 HB VAL 9 HB VAL 9 -5.357 0.085 -2.313 65 1HG1 VAL 9 HG12 VAL 9 -7.272 2.166 -1.368 66 2HG1 VAL 9 HG11 VAL 9 -6.767 0.947 -0.197 67 3HG1 VAL 9 HG13 VAL 9 -5.561 1.959 -0.992 68 1HG2 VAL 9 HG22 VAL 9 -8.144 -0.777 -2.571 69 2HG2 VAL 9 HG21 VAL 9 -6.723 -1.698 -2.086 70 3HG2 VAL 9 HG23 VAL 9 -7.595 -0.735 -0.897 71 HA PRO 10 HA PRO 10 -10.671 2.209 -4.573 72 1HB PRO 10 HB2 PRO 10 -11.234 0.676 -6.865 73 2HB PRO 10 HB1 PRO 10 -10.687 2.355 -6.834 74 1HG PRO 10 HG2 PRO 10 -9.227 0.000 -7.692 75 2HG PRO 10 HG1 PRO 10 -8.749 1.697 -7.809 76 1HD PRO 10 HD2 PRO 10 -7.774 -0.313 -5.961 77 2HD PRO 10 HD1 PRO 10 -7.247 1.381 -6.124 78 H GLY 11 HN GLY 11 -9.918 -0.226 -2.929 79 1HA GLY 11 HA2 GLY 11 -11.668 -2.395 -3.603 80 2HA GLY 11 HA1 GLY 11 -10.989 -2.088 -2.001 81 H MET 12 HN MET 12 -12.003 0.395 -1.426 82 HA MET 12 HA MET 12 -13.926 1.173 -0.257 83 1HB MET 12 HB2 MET 12 -15.556 1.931 -1.912 84 2HB MET 12 HB1 MET 12 -13.941 2.076 -2.597 85 1HG MET 12 HG2 MET 12 -14.226 0.005 -3.842 86 2HG MET 12 HG1 MET 12 -15.788 -0.279 -3.075 87 1HE MET 12 HE1 MET 12 -16.460 -0.821 -5.111 88 2HE MET 12 HE3 MET 12 -17.812 0.254 -5.494 89 3HE MET 12 HE2 MET 12 -16.449 0.118 -6.602 90 H THR 13 HN THR 13 -13.684 -1.523 0.287 91 HA THR 13 HA THR 13 -16.206 -2.897 -0.332 92 HB THR 13 HB THR 13 -13.712 -3.738 -0.001 93 HG1 THR 13 HG1 THR 13 -15.020 -5.335 -0.444 94 1HG2 THR 13 HG21 THR 13 -14.118 -2.812 2.521 95 2HG2 THR 13 HG23 THR 13 -14.567 -4.507 2.709 96 3HG2 THR 13 HG22 THR 13 -12.967 -4.081 2.105 97 H CYS 14 HN CYS 14 -15.780 -0.345 1.477 98 HA CYS 14 HA CYS 14 -17.120 0.573 3.187 99 1HB CYS 14 HB2 CYS 14 -18.653 -1.363 2.306 100 2HB CYS 14 HB1 CYS 14 -18.161 -2.184 3.788 101 HG CYS 14 HG CYS 14 -19.373 0.679 4.008 102 H ALA 15 HN ALA 15 -15.146 0.932 4.361 103 HA ALA 15 HA ALA 15 -13.760 0.765 6.258 104 1HB ALA 15 HB2 ALA 15 -16.230 0.660 7.066 105 2HB ALA 15 HB1 ALA 15 -15.895 -1.046 7.364 106 3HB ALA 15 HB3 ALA 15 -14.960 0.195 8.199 107 H ALA 16 HN ALA 16 -13.250 -1.233 4.176 108 HA ALA 16 HA ALA 16 -11.852 -3.195 5.885 109 1HB ALA 16 HB3 ALA 16 -14.333 -3.728 4.427 110 2HB ALA 16 HB2 ALA 16 -13.048 -4.866 4.024 111 3HB ALA 16 HB1 ALA 16 -13.555 -4.668 5.702 112 H CYS 17 HN CYS 17 -12.478 -1.901 2.619 113 HA CYS 17 HA CYS 17 -10.593 -3.289 1.101 114 1HB CYS 17 HB2 CYS 17 -11.771 -1.825 -0.184 115 2HB CYS 17 HB1 CYS 17 -11.926 -0.657 1.118 116 HG CYS 17 HG CYS 17 -10.227 -0.056 -1.063 117 HA PRO 18 HA PRO 18 -7.143 -0.188 2.474 118 1HB PRO 18 HB2 PRO 18 -7.847 1.251 4.783 119 2HB PRO 18 HB1 PRO 18 -7.820 1.868 3.129 120 1HG PRO 18 HG2 PRO 18 -10.122 1.228 4.820 121 2HG PRO 18 HG1 PRO 18 -10.063 2.161 3.320 122 1HD PRO 18 HD2 PRO 18 -11.077 -0.478 3.642 123 2HD PRO 18 HD1 PRO 18 -10.805 0.384 2.109 124 H ILE 19 HN ILE 19 -8.896 -2.311 4.454 125 HA ILE 19 HA ILE 19 -6.900 -2.417 6.636 126 HB ILE 19 HB ILE 19 -9.438 -3.948 5.978 127 1HG1 ILE 19 HG12 ILE 19 -8.767 -1.720 7.920 128 2HG1 ILE 19 HG11 ILE 19 -9.927 -1.671 6.591 129 1HG2 ILE 19 HG21 ILE 19 -7.698 -4.028 8.460 130 2HG2 ILE 19 HG23 ILE 19 -9.257 -4.832 8.278 131 3HG2 ILE 19 HG22 ILE 19 -7.886 -5.335 7.290 132 1HD1 ILE 19 HD13 ILE 19 -10.161 -3.557 8.950 133 2HD1 ILE 19 HD12 ILE 19 -10.980 -1.998 8.860 134 3HD1 ILE 19 HD11 ILE 19 -11.366 -3.266 7.696 135 H THR 20 HN THR 20 -8.205 -4.536 4.095 136 HA THR 20 HA THR 20 -6.396 -6.722 4.456 137 HB THR 20 HB THR 20 -8.293 -5.608 2.447 138 HG1 THR 20 HG1 THR 20 -7.813 -8.161 3.582 139 1HG2 THR 20 HG23 THR 20 -6.321 -6.117 1.053 140 2HG2 THR 20 HG22 THR 20 -6.293 -7.756 1.702 141 3HG2 THR 20 HG21 THR 20 -7.655 -7.220 0.717 142 H VAL 21 HN VAL 21 -6.353 -3.719 2.620 143 HA VAL 21 HA VAL 21 -3.954 -4.180 1.151 144 HB VAL 21 HB VAL 21 -5.251 -1.633 2.179 145 1HG1 VAL 21 HG13 VAL 21 -3.061 -2.212 0.247 146 2HG1 VAL 21 HG12 VAL 21 -4.196 -0.933 -0.179 147 3HG1 VAL 21 HG11 VAL 21 -3.273 -0.831 1.321 148 1HG2 VAL 21 HG23 VAL 21 -6.472 -3.496 0.646 149 2HG2 VAL 21 HG22 VAL 21 -6.771 -1.767 0.466 150 3HG2 VAL 21 HG21 VAL 21 -5.639 -2.583 -0.612 151 H LYS 22 HN LYS 22 -4.645 -2.488 4.193 152 HA LYS 22 HA LYS 22 -2.180 -1.521 4.974 153 1HB LYS 22 HB2 LYS 22 -4.154 -1.275 6.324 154 2HB LYS 22 HB1 LYS 22 -4.302 -3.021 6.528 155 1HG LYS 22 HG2 LYS 22 -2.439 -3.135 7.969 156 2HG LYS 22 HG1 LYS 22 -1.834 -1.560 7.455 157 1HD LYS 22 HD2 LYS 22 -3.738 -0.451 8.531 158 2HD LYS 22 HD1 LYS 22 -4.400 -2.016 9.005 159 1HE LYS 22 HE2 LYS 22 -1.632 -1.099 9.842 160 2HE LYS 22 HE1 LYS 22 -3.079 -0.828 10.832 161 1HZ LYS 22 HZ2 LYS 22 -3.101 -3.476 9.870 162 2HZ LYS 22 HZ1 LYS 22 -1.596 -3.184 10.601 163 3HZ LYS 22 HZ3 LYS 22 -3.025 -2.939 11.480 164 H LYS 23 HN LYS 23 -3.289 -4.877 5.639 165 HA LYS 23 HA LYS 23 -0.708 -5.719 6.627 166 1HB LYS 23 HB2 LYS 23 -2.922 -7.439 5.502 167 2HB LYS 23 HB1 LYS 23 -1.771 -7.860 6.770 168 1HG LYS 23 HG2 LYS 23 -2.800 -5.782 8.007 169 2HG LYS 23 HG1 LYS 23 -4.158 -6.043 6.911 170 1HD LYS 23 HD2 LYS 23 -2.960 -8.209 8.657 171 2HD LYS 23 HD1 LYS 23 -4.380 -7.260 9.101 172 1HE LYS 23 HE2 LYS 23 -5.654 -8.723 7.930 173 2HE LYS 23 HE1 LYS 23 -4.822 -8.202 6.451 174 1HZ LYS 23 HZ2 LYS 23 -2.947 -9.698 7.210 175 2HZ LYS 23 HZ1 LYS 23 -4.050 -10.374 8.311 176 3HZ LYS 23 HZ3 LYS 23 -4.345 -10.481 6.645 177 H ALA 24 HN ALA 24 -2.116 -5.619 3.445 178 HA ALA 24 HA ALA 24 -0.475 -7.548 2.153 179 1HB ALA 24 HB1 ALA 24 -2.588 -5.893 1.538 180 2HB ALA 24 HB3 ALA 24 -1.278 -5.198 0.584 181 3HB ALA 24 HB2 ALA 24 -1.721 -6.891 0.371 182 H LEU 25 HN LEU 25 -0.167 -3.977 2.178 183 HA LEU 25 HA LEU 25 2.425 -3.969 0.916 184 1HB LEU 25 HB2 LEU 25 1.054 -1.921 2.683 185 2HB LEU 25 HB1 LEU 25 2.329 -1.598 1.506 186 HG LEU 25 HG LEU 25 0.509 -2.940 -0.032 187 1HD1 LEU 25 HD11 LEU 25 -0.880 -2.017 2.315 188 2HD1 LEU 25 HD13 LEU 25 -1.475 -1.177 0.884 189 3HD1 LEU 25 HD12 LEU 25 -1.501 -2.940 0.946 190 1HD2 LEU 25 HD21 LEU 25 1.682 -0.802 -0.525 191 2HD2 LEU 25 HD23 LEU 25 -0.030 -0.738 -0.940 192 3HD2 LEU 25 HD22 LEU 25 0.544 0.032 0.535 193 H SER 26 HN SER 26 1.346 -4.078 4.275 194 HA SER 26 HA SER 26 3.888 -3.436 5.477 195 1HB SER 26 HB2 SER 26 1.287 -3.805 6.290 196 2HB SER 26 HB1 SER 26 2.052 -5.273 6.893 197 HG SER 26 HG SER 26 3.639 -3.904 7.864 198 H LYS 27 HN LYS 27 2.547 -6.302 4.001 199 HA LYS 27 HA LYS 27 4.837 -7.872 5.073 200 1HB LYS 27 HB2 LYS 27 3.424 -9.826 4.671 201 2HB LYS 27 HB1 LYS 27 2.520 -8.632 5.600 202 1HG LYS 27 HG2 LYS 27 0.993 -9.261 3.925 203 2HG LYS 27 HG1 LYS 27 1.704 -7.784 3.279 204 1HD LYS 27 HD2 LYS 27 2.625 -8.873 1.540 205 2HD LYS 27 HD1 LYS 27 3.275 -10.134 2.588 206 1HE LYS 27 HE2 LYS 27 0.448 -10.492 2.523 207 2HE LYS 27 HE1 LYS 27 0.999 -10.297 0.847 208 1HZ LYS 27 HZ1 LYS 27 2.566 -11.942 2.717 209 2HZ LYS 27 HZ3 LYS 27 1.192 -12.609 1.981 210 3HZ LYS 27 HZ2 LYS 27 2.473 -12.037 1.024 211 H VAL 28 HN VAL 28 4.000 -6.182 2.343 212 HA VAL 28 HA VAL 28 4.352 -7.799 0.115 213 HB VAL 28 HB VAL 28 4.009 -5.304 0.208 214 1HG1 VAL 28 HG13 VAL 28 5.866 -4.854 1.825 215 2HG1 VAL 28 HG12 VAL 28 7.022 -5.257 0.554 216 3HG1 VAL 28 HG11 VAL 28 5.964 -3.861 0.371 217 1HG2 VAL 28 HG21 VAL 28 6.226 -6.399 -1.549 218 2HG2 VAL 28 HG23 VAL 28 4.504 -6.343 -1.928 219 3HG2 VAL 28 HG22 VAL 28 5.433 -4.848 -1.822 220 H GLU 29 HN GLU 29 7.013 -6.457 2.130 221 HA GLU 29 HA GLU 29 8.675 -8.747 1.933 222 1HB GLU 29 HB2 GLU 29 8.508 -7.041 -0.432 223 2HB GLU 29 HB1 GLU 29 10.167 -7.215 0.141 224 1HG GLU 29 HG2 GLU 29 9.168 -9.786 0.357 225 2HG GLU 29 HG1 GLU 29 8.419 -9.195 -1.126 226 H GLY 30 HN GLY 30 9.821 -5.499 1.086 227 1HA GLY 30 HA2 GLY 30 11.431 -5.488 3.565 228 2HA GLY 30 HA1 GLY 30 11.631 -4.390 2.202 229 H VAL 31 HN VAL 31 8.484 -4.134 2.427 230 HA VAL 31 HA VAL 31 8.280 -1.598 3.522 231 HB VAL 31 HB VAL 31 6.416 -3.963 3.463 232 1HG1 VAL 31 HG12 VAL 31 5.939 -1.227 4.667 233 2HG1 VAL 31 HG11 VAL 31 4.618 -2.229 4.072 234 3HG1 VAL 31 HG13 VAL 31 5.630 -2.802 5.397 235 1HG2 VAL 31 HG22 VAL 31 7.050 -2.680 1.386 236 2HG2 VAL 31 HG21 VAL 31 5.323 -2.646 1.737 237 3HG2 VAL 31 HG23 VAL 31 6.326 -1.246 2.114 238 H SER 32 HN SER 32 8.193 -0.692 5.470 239 HA SER 32 HA SER 32 8.584 -2.474 7.850 240 1HB SER 32 HB2 SER 32 10.520 -1.037 7.045 241 2HB SER 32 HB1 SER 32 9.538 0.375 7.427 242 HG SER 32 HG SER 32 9.830 -1.616 9.369 243 H LYS 33 HN LYS 33 6.587 -0.206 6.316 244 HA LYS 33 HA LYS 33 4.879 -0.046 8.732 245 1HB LYS 33 HB2 LYS 33 5.933 1.898 9.301 246 2HB LYS 33 HB1 LYS 33 6.612 2.109 7.692 247 1HG LYS 33 HG2 LYS 33 4.436 2.943 6.876 248 2HG LYS 33 HG1 LYS 33 3.742 2.709 8.480 249 1HD LYS 33 HD2 LYS 33 6.168 4.236 8.717 250 2HD LYS 33 HD1 LYS 33 5.124 4.990 7.512 251 1HE LYS 33 HE2 LYS 33 3.245 4.985 9.119 252 2HE LYS 33 HE1 LYS 33 4.292 4.228 10.337 253 1HZ LYS 33 HZ1 LYS 33 5.883 6.132 9.819 254 2HZ LYS 33 HZ3 LYS 33 4.556 6.899 9.092 255 3HZ LYS 33 HZ2 LYS 33 4.508 6.505 10.744 256 H VAL 34 HN VAL 34 2.755 0.971 8.190 257 HA VAL 34 HA VAL 34 2.084 1.230 5.320 258 HB VAL 34 HB VAL 34 2.033 -1.228 6.062 259 1HG1 VAL 34 HG11 VAL 34 1.060 -0.692 8.322 260 2HG1 VAL 34 HG13 VAL 34 -0.455 -0.285 7.516 261 3HG1 VAL 34 HG12 VAL 34 0.168 -1.933 7.441 262 1HG2 VAL 34 HG21 VAL 34 0.626 0.012 4.194 263 2HG2 VAL 34 HG23 VAL 34 0.251 -1.657 4.624 264 3HG2 VAL 34 HG22 VAL 34 -0.723 -0.338 5.274 265 H ASP 35 HN ASP 35 -0.444 1.726 5.225 266 HA ASP 35 HA ASP 35 -1.547 2.845 7.714 267 1HB ASP 35 HB2 ASP 35 0.268 4.370 6.332 268 2HB ASP 35 HB1 ASP 35 -1.260 4.924 5.645 269 H VAL 36 HN VAL 36 -3.714 3.732 7.396 270 HA VAL 36 HA VAL 36 -5.036 2.655 4.934 271 HB VAL 36 HB VAL 36 -5.871 3.097 7.806 272 1HG1 VAL 36 HG13 VAL 36 -7.518 3.175 5.379 273 2HG1 VAL 36 HG12 VAL 36 -8.047 1.954 6.536 274 3HG1 VAL 36 HG11 VAL 36 -7.928 3.643 7.029 275 1HG2 VAL 36 HG21 VAL 36 -5.088 0.856 6.125 276 2HG2 VAL 36 HG23 VAL 36 -5.303 0.912 7.874 277 3HG2 VAL 36 HG22 VAL 36 -6.686 0.596 6.825 278 H GLY 37 HN GLY 37 -6.154 4.099 3.635 279 1HA GLY 37 HA2 GLY 37 -6.723 6.816 4.718 280 2HA GLY 37 HA1 GLY 37 -5.834 6.669 3.201 281 H PHE 38 HN PHE 38 -8.798 5.270 4.653 282 HA PHE 38 HA PHE 38 -10.118 4.695 2.207 283 1HB PHE 38 HB2 PHE 38 -10.569 4.451 4.926 284 2HB PHE 38 HB1 PHE 38 -11.825 5.583 4.426 285 HD1 PHE 38 HD1 PHE 38 -12.183 4.635 1.581 286 HD2 PHE 38 HD2 PHE 38 -11.861 2.474 5.278 287 HE1 PHE 38 HE1 PHE 38 -13.485 2.767 0.600 288 HE2 PHE 38 HE2 PHE 38 -13.163 0.609 4.298 289 HZ PHE 38 HZ PHE 38 -13.987 0.754 1.966 290 H GLU 39 HN GLU 39 -9.643 7.731 3.879 291 HA GLU 39 HA GLU 39 -11.725 9.369 3.093 292 1HB GLU 39 HB2 GLU 39 -9.444 9.831 4.267 293 2HB GLU 39 HB1 GLU 39 -8.848 10.167 2.641 294 1HG GLU 39 HG2 GLU 39 -11.414 11.455 3.460 295 2HG GLU 39 HG1 GLU 39 -9.924 12.088 4.160 296 H LYS 40 HN LYS 40 -9.041 8.238 1.035 297 HA LYS 40 HA LYS 40 -10.696 8.925 -1.350 298 1HB LYS 40 HB2 LYS 40 -8.672 9.901 -2.393 299 2HB LYS 40 HB1 LYS 40 -9.095 10.753 -0.908 300 1HG LYS 40 HG2 LYS 40 -7.415 9.504 0.339 301 2HG LYS 40 HG1 LYS 40 -7.045 8.527 -1.082 302 1HD LYS 40 HD2 LYS 40 -5.364 10.123 -1.223 303 2HD LYS 40 HD1 LYS 40 -6.618 10.893 -2.197 304 1HE LYS 40 HE2 LYS 40 -7.395 12.019 -0.008 305 2HE LYS 40 HE1 LYS 40 -5.829 11.509 0.659 306 1HZ LYS 40 HZ1 LYS 40 -5.998 12.841 -1.972 307 2HZ LYS 40 HZ3 LYS 40 -5.948 13.759 -0.547 308 3HZ LYS 40 HZ2 LYS 40 -4.664 12.713 -0.927 309 H ARG 41 HN ARG 41 -10.512 6.353 -0.361 310 HA ARG 41 HA ARG 41 -9.705 4.164 -0.841 311 1HB ARG 41 HB2 ARG 41 -9.639 5.450 -3.586 312 2HB ARG 41 HB1 ARG 41 -9.927 3.748 -3.221 313 1HG ARG 41 HG2 ARG 41 -11.729 5.619 -1.836 314 2HG ARG 41 HG1 ARG 41 -11.898 5.595 -3.590 315 1HD ARG 41 HD2 ARG 41 -11.624 2.897 -2.593 316 2HD ARG 41 HD1 ARG 41 -12.962 3.717 -1.769 317 HE ARG 41 HE ARG 41 -12.978 2.841 -4.492 318 1HH1 ARG 41 HH21 ARG 41 -13.745 5.640 -2.602 319 2HH1 ARG 41 HH22 ARG 41 -14.720 6.352 -3.841 320 1HH2 ARG 41 HH11 ARG 41 -14.265 3.755 -6.084 321 2HH2 ARG 41 HH12 ARG 41 -15.027 5.284 -5.798 322 H GLU 42 HN GLU 42 -7.536 5.224 0.221 323 HA GLU 42 HA GLU 42 -5.379 4.472 -1.687 324 1HB GLU 42 HB2 GLU 42 -4.229 6.548 -1.358 325 2HB GLU 42 HB1 GLU 42 -5.910 6.975 -1.682 326 1HG GLU 42 HG2 GLU 42 -5.651 8.232 0.216 327 2HG GLU 42 HG1 GLU 42 -6.021 6.700 1.008 328 H ALA 43 HN ALA 43 -3.615 3.490 -0.680 329 HA ALA 43 HA ALA 43 -3.713 3.314 2.319 330 1HB ALA 43 HB2 ALA 43 -3.801 1.319 0.325 331 2HB ALA 43 HB1 ALA 43 -2.151 1.264 0.943 332 3HB ALA 43 HB3 ALA 43 -3.512 1.058 2.045 333 H VAL 44 HN VAL 44 -1.791 4.001 3.357 334 HA VAL 44 HA VAL 44 0.370 4.934 1.508 335 HB VAL 44 HB VAL 44 -0.866 5.816 4.058 336 1HG1 VAL 44 HG13 VAL 44 2.090 6.165 3.480 337 2HG1 VAL 44 HG12 VAL 44 1.196 7.169 4.621 338 3HG1 VAL 44 HG11 VAL 44 1.365 5.438 4.914 339 1HG2 VAL 44 HG23 VAL 44 -0.495 6.787 1.452 340 2HG2 VAL 44 HG22 VAL 44 -1.206 7.655 2.811 341 3HG2 VAL 44 HG21 VAL 44 0.518 7.803 2.475 342 H VAL 45 HN VAL 45 2.512 4.223 1.835 343 HA VAL 45 HA VAL 45 2.945 2.312 4.090 344 HB VAL 45 HB VAL 45 4.174 1.332 1.677 345 1HG1 VAL 45 HG11 VAL 45 3.034 0.346 3.979 346 2HG1 VAL 45 HG13 VAL 45 1.854 -0.113 2.752 347 3HG1 VAL 45 HG12 VAL 45 3.533 -0.632 2.599 348 1HG2 VAL 45 HG21 VAL 45 2.243 2.618 0.617 349 2HG2 VAL 45 HG23 VAL 45 2.271 0.887 0.280 350 3HG2 VAL 45 HG22 VAL 45 1.155 1.534 1.484 351 H THR 46 HN THR 46 5.110 1.966 4.621 352 HA THR 46 HA THR 46 7.110 3.848 3.429 353 HB THR 46 HB THR 46 6.298 3.151 6.237 354 HG1 THR 46 HG1 THR 46 6.853 5.459 6.388 355 1HG2 THR 46 HG21 THR 46 9.083 3.989 5.387 356 2HG2 THR 46 HG23 THR 46 8.486 4.090 7.045 357 3HG2 THR 46 HG22 THR 46 8.634 2.520 6.255 358 H PHE 47 HN PHE 47 9.280 2.876 3.271 359 HA PHE 47 HA PHE 47 9.655 0.145 4.259 360 1HB PHE 47 HB2 PHE 47 9.652 -0.900 2.034 361 2HB PHE 47 HB1 PHE 47 8.092 -0.157 2.380 362 HD1 PHE 47 HD2 PHE 47 11.336 0.401 0.576 363 HD2 PHE 47 HD1 PHE 47 7.213 1.547 1.015 364 HE1 PHE 47 HE2 PHE 47 11.499 1.744 -1.483 365 HE2 PHE 47 HE1 PHE 47 7.375 2.894 -1.061 366 HZ PHE 47 HZ PHE 47 9.512 2.992 -2.313 367 H ASP 48 HN ASP 48 11.525 -0.867 2.816 368 HA ASP 48 HA ASP 48 13.758 1.120 2.812 369 1HB ASP 48 HB2 ASP 48 13.730 -1.913 2.937 370 2HB ASP 48 HB1 ASP 48 15.147 -0.883 3.151 371 H ASP 49 HN ASP 49 14.271 1.794 0.776 372 HA ASP 49 HA ASP 49 13.188 0.573 -1.573 373 1HB ASP 49 HB2 ASP 49 13.711 2.859 -1.662 374 2HB ASP 49 HB1 ASP 49 15.299 2.622 -0.933 375 H THR 50 HN THR 50 15.630 -0.608 0.365 376 HA THR 50 HA THR 50 17.377 -1.624 -1.773 377 HB THR 50 HB THR 50 18.149 -0.888 0.493 378 HG1 THR 50 HG1 THR 50 19.640 -2.216 -0.145 379 1HG2 THR 50 HG22 THR 50 15.972 -2.188 1.441 380 2HG2 THR 50 HG21 THR 50 17.202 -3.423 1.709 381 3HG2 THR 50 HG23 THR 50 17.385 -1.825 2.432 382 H LYS 51 HN LYS 51 14.548 -2.698 -0.023 383 HA LYS 51 HA LYS 51 14.870 -5.396 -1.275 384 1HB LYS 51 HB2 LYS 51 14.658 -4.571 1.472 385 2HB LYS 51 HB1 LYS 51 13.274 -5.584 1.054 386 1HG LYS 51 HG2 LYS 51 14.551 -7.436 0.870 387 2HG LYS 51 HG1 LYS 51 15.792 -6.584 -0.049 388 1HD LYS 51 HD2 LYS 51 16.492 -5.516 2.171 389 2HD LYS 51 HD1 LYS 51 15.471 -6.723 2.954 390 1HE LYS 51 HE2 LYS 51 16.863 -8.349 1.301 391 2HE LYS 51 HE1 LYS 51 18.075 -7.078 1.556 392 1HZ LYS 51 HZ2 LYS 51 17.278 -7.252 4.002 393 2HZ LYS 51 HZ1 LYS 51 16.749 -8.800 3.541 394 3HZ LYS 51 HZ3 LYS 51 18.389 -8.391 3.407 395 H ALA 52 HN ALA 52 12.845 -2.661 -0.832 396 HA ALA 52 HA ALA 52 10.685 -4.036 -2.350 397 1HB ALA 52 HB3 ALA 52 10.643 -2.991 0.418 398 2HB ALA 52 HB2 ALA 52 9.274 -2.497 -0.578 399 3HB ALA 52 HB1 ALA 52 9.615 -4.210 -0.337 400 H SER 53 HN SER 53 8.879 -2.029 -2.562 401 HA SER 53 HA SER 53 9.816 0.633 -2.866 402 1HB SER 53 HB2 SER 53 10.883 -1.256 -4.729 403 2HB SER 53 HB1 SER 53 9.810 -0.172 -5.610 404 HG SER 53 HG SER 53 11.776 0.713 -3.768 405 H VAL 54 HN VAL 54 8.314 1.903 -4.367 406 HA VAL 54 HA VAL 54 5.626 1.527 -3.889 407 HB VAL 54 HB VAL 54 6.430 3.522 -4.955 408 1HG1 VAL 54 HG11 VAL 54 8.148 1.904 -6.314 409 2HG1 VAL 54 HG13 VAL 54 6.974 2.255 -7.581 410 3HG1 VAL 54 HG12 VAL 54 7.821 3.574 -6.773 411 1HG2 VAL 54 HG22 VAL 54 4.141 2.417 -5.674 412 2HG2 VAL 54 HG21 VAL 54 4.735 3.845 -6.523 413 3HG2 VAL 54 HG23 VAL 54 4.949 2.245 -7.231 414 H GLN 55 HN GLN 55 7.362 0.267 -6.768 415 HA GLN 55 HA GLN 55 5.312 -1.021 -8.121 416 1HB GLN 55 HB2 GLN 55 7.634 -0.979 -8.859 417 2HB GLN 55 HB1 GLN 55 8.126 -1.964 -7.481 418 1HG GLN 55 HG2 GLN 55 6.242 -3.591 -8.496 419 2HG GLN 55 HG1 GLN 55 6.724 -2.771 -9.982 420 1HE2 GLN 55 HE22 GLN 55 8.984 -5.734 -9.396 421 2HE2 GLN 55 HE21 GLN 55 7.299 -5.560 -9.518 422 H LYS 56 HN LYS 56 7.142 -2.331 -5.343 423 HA LYS 56 HA LYS 56 5.553 -4.754 -5.182 424 1HB LYS 56 HB2 LYS 56 7.499 -3.368 -3.313 425 2HB LYS 56 HB1 LYS 56 6.866 -4.994 -3.047 426 1HG LYS 56 HG2 LYS 56 8.289 -4.185 -5.593 427 2HG LYS 56 HG1 LYS 56 9.128 -4.888 -4.209 428 1HD LYS 56 HD2 LYS 56 6.870 -6.524 -4.662 429 2HD LYS 56 HD1 LYS 56 7.578 -6.220 -6.249 430 1HE LYS 56 HE2 LYS 56 9.102 -7.230 -3.818 431 2HE LYS 56 HE1 LYS 56 8.622 -8.209 -5.218 432 1HZ LYS 56 HZ3 LYS 56 9.748 -6.100 -6.411 433 2HZ LYS 56 HZ2 LYS 56 10.695 -6.190 -5.003 434 3HZ LYS 56 HZ1 LYS 56 10.587 -7.527 -6.046 435 H LEU 57 HN LEU 57 5.274 -1.534 -3.712 436 HA LEU 57 HA LEU 57 3.514 -2.331 -1.562 437 1HB LEU 57 HB2 LEU 57 3.705 0.300 -3.065 438 2HB LEU 57 HB1 LEU 57 3.076 0.071 -1.436 439 HG LEU 57 HG LEU 57 5.935 -0.476 -2.296 440 1HD1 LEU 57 HD12 LEU 57 4.505 1.915 -1.410 441 2HD1 LEU 57 HD11 LEU 57 5.877 1.530 -0.370 442 3HD1 LEU 57 HD13 LEU 57 6.121 1.769 -2.101 443 1HD2 LEU 57 HD23 LEU 57 4.754 -1.761 -0.296 444 2HD2 LEU 57 HD22 LEU 57 6.380 -1.109 -0.093 445 3HD2 LEU 57 HD21 LEU 57 4.991 -0.230 0.547 446 H THR 58 HN THR 58 2.825 -0.700 -4.679 447 HA THR 58 HA THR 58 0.008 -0.917 -4.614 448 HB THR 58 HB THR 58 2.092 -0.837 -6.806 449 HG1 THR 58 HG1 THR 58 0.132 1.028 -5.967 450 1HG2 THR 58 HG22 THR 58 -0.902 -1.055 -7.017 451 2HG2 THR 58 HG21 THR 58 0.021 -0.184 -8.241 452 3HG2 THR 58 HG23 THR 58 0.337 -1.895 -7.951 453 H LYS 59 HN LYS 59 2.491 -3.292 -5.444 454 HA LYS 59 HA LYS 59 0.645 -5.176 -6.630 455 1HB LYS 59 HB2 LYS 59 3.318 -4.782 -6.702 456 2HB LYS 59 HB1 LYS 59 3.242 -6.045 -5.473 457 1HG LYS 59 HG2 LYS 59 1.896 -7.445 -7.018 458 2HG LYS 59 HG1 LYS 59 2.041 -6.194 -8.254 459 1HD LYS 59 HD2 LYS 59 4.607 -6.429 -7.853 460 2HD LYS 59 HD1 LYS 59 4.185 -7.975 -7.114 461 1HE LYS 59 HE2 LYS 59 2.812 -7.568 -9.670 462 2HE LYS 59 HE1 LYS 59 4.579 -7.561 -9.835 463 1HZ LYS 59 HZ1 LYS 59 3.012 -9.588 -8.328 464 2HZ LYS 59 HZ3 LYS 59 3.668 -9.825 -9.874 465 3HZ LYS 59 HZ2 LYS 59 4.697 -9.582 -8.544 466 H ALA 60 HN ALA 60 1.891 -4.524 -3.416 467 HA ALA 60 HA ALA 60 1.091 -7.001 -2.214 468 1HB ALA 60 HB1 ALA 60 2.515 -4.701 -1.544 469 2HB ALA 60 HB3 ALA 60 1.098 -4.635 -0.498 470 3HB ALA 60 HB2 ALA 60 2.160 -6.041 -0.453 471 H THR 61 HN THR 61 -0.399 -3.758 -2.375 472 HA THR 61 HA THR 61 -2.832 -4.535 -1.017 473 HB THR 61 HB THR 61 -1.947 -2.207 -1.224 474 HG1 THR 61 HG1 THR 61 -4.319 -2.146 -2.676 475 1HG2 THR 61 HG21 THR 61 -2.642 -2.614 -4.143 476 2HG2 THR 61 HG23 THR 61 -2.198 -1.068 -3.420 477 3HG2 THR 61 HG22 THR 61 -1.026 -2.384 -3.477 478 H ALA 62 HN ALA 62 -1.645 -4.448 -4.265 479 HA ALA 62 HA ALA 62 -4.127 -4.977 -5.634 480 1HB ALA 62 HB2 ALA 62 -1.182 -5.249 -6.244 481 2HB ALA 62 HB1 ALA 62 -2.393 -5.784 -7.409 482 3HB ALA 62 HB3 ALA 62 -2.336 -4.094 -6.911 483 H ASP 63 HN ASP 63 -1.776 -6.908 -3.934 484 HA ASP 63 HA ASP 63 -2.859 -9.462 -4.960 485 1HB ASP 63 HB2 ASP 63 -0.395 -8.800 -4.388 486 2HB ASP 63 HB1 ASP 63 -0.880 -9.067 -2.714 487 H ALA 64 HN ALA 64 -3.461 -7.212 -2.450 488 HA ALA 64 HA ALA 64 -4.486 -9.128 -0.483 489 1HB ALA 64 HB1 ALA 64 -3.519 -6.621 -0.349 490 2HB ALA 64 HB3 ALA 64 -5.229 -6.229 -0.524 491 3HB ALA 64 HB2 ALA 64 -4.686 -7.223 0.829 492 H GLY 65 HN GLY 65 -5.662 -7.232 -3.176 493 1HA GLY 65 HA2 GLY 65 -7.774 -8.492 -4.100 494 2HA GLY 65 HA1 GLY 65 -8.456 -8.031 -2.546 495 H TYR 66 HN TYR 66 -6.263 -5.822 -4.210 496 HA TYR 66 HA TYR 66 -8.553 -4.284 -5.305 497 1HB TYR 66 HB2 TYR 66 -6.597 -3.102 -3.321 498 2HB TYR 66 HB1 TYR 66 -8.057 -2.352 -3.957 499 HD1 TYR 66 HD1 TYR 66 -10.276 -3.641 -3.520 500 HD2 TYR 66 HD2 TYR 66 -6.645 -4.181 -1.312 501 HE1 TYR 66 HE1 TYR 66 -11.572 -4.531 -1.614 502 HE2 TYR 66 HE2 TYR 66 -7.925 -5.059 0.587 503 HH TYR 66 HH TYR 66 -9.967 -5.426 1.439 504 HA PRO 67 HA PRO 67 -5.010 -3.938 -8.179 505 1HB PRO 67 HB2 PRO 67 -6.915 -2.465 -9.821 506 2HB PRO 67 HB1 PRO 67 -6.164 -4.029 -10.152 507 1HG PRO 67 HG2 PRO 67 -8.873 -3.549 -9.427 508 2HG PRO 67 HG1 PRO 67 -8.079 -5.116 -9.613 509 1HD PRO 67 HD2 PRO 67 -8.965 -3.853 -7.164 510 2HD PRO 67 HD1 PRO 67 -8.185 -5.443 -7.355 511 H SER 68 HN SER 68 -3.830 -2.366 -6.985 512 HA SER 68 HA SER 68 -5.035 0.352 -6.782 513 1HB SER 68 HB2 SER 68 -4.201 0.258 -4.685 514 2HB SER 68 HB1 SER 68 -3.766 -1.413 -5.016 515 HG SER 68 HG SER 68 -2.132 0.512 -4.485 516 H SER 69 HN SER 69 -2.927 1.923 -6.371 517 HA SER 69 HA SER 69 -0.887 1.634 -8.492 518 1HB SER 69 HB2 SER 69 -1.941 3.054 -9.921 519 2HB SER 69 HB1 SER 69 -3.356 2.968 -8.877 520 HG SER 69 HG SER 69 -2.158 5.101 -9.350 521 H VAL 70 HN VAL 70 0.105 4.253 -8.314 522 HA VAL 70 HA VAL 70 0.391 4.692 -5.386 523 HB VAL 70 HB VAL 70 2.089 3.190 -6.562 524 1HG1 VAL 70 HG12 VAL 70 2.198 5.347 -8.316 525 2HG1 VAL 70 HG11 VAL 70 3.679 5.508 -7.373 526 3HG1 VAL 70 HG13 VAL 70 3.351 4.014 -8.250 527 1HG2 VAL 70 HG21 VAL 70 2.369 5.226 -4.554 528 2HG2 VAL 70 HG23 VAL 70 3.233 3.695 -4.677 529 3HG2 VAL 70 HG22 VAL 70 3.875 5.134 -5.466 530 H LYS 71 HN LYS 71 1.201 6.812 -4.801 531 HA LYS 71 HA LYS 71 0.847 8.822 -7.009 532 1HB LYS 71 HB2 LYS 71 0.306 9.800 -4.305 533 2HB LYS 71 HB1 LYS 71 -0.706 9.902 -5.743 534 1HG LYS 71 HG2 LYS 71 -1.490 7.607 -5.384 535 2HG LYS 71 HG1 LYS 71 -0.431 7.448 -3.982 536 1HD LYS 71 HD2 LYS 71 -2.075 8.297 -2.710 537 2HD LYS 71 HD1 LYS 71 -1.904 9.820 -3.580 538 1HE LYS 71 HE2 LYS 71 -3.376 7.989 -5.238 539 2HE LYS 71 HE1 LYS 71 -4.133 8.053 -3.633 540 1HZ LYS 71 HZ1 LYS 71 -3.210 10.497 -5.022 541 2HZ LYS 71 HZ3 LYS 71 -4.768 9.876 -5.271 542 3HZ LYS 71 HZ2 LYS 71 -4.291 10.370 -3.717 543 H GLN 72 HN GLN 72 3.208 7.501 -5.906 544 HA GLN 72 HA GLN 72 5.367 8.049 -5.024 545 1HB GLN 72 HB2 GLN 72 4.747 10.579 -6.570 546 2HB GLN 72 HB1 GLN 72 6.309 9.778 -6.396 547 1HG GLN 72 HG2 GLN 72 5.229 7.754 -7.539 548 2HG GLN 72 HG1 GLN 72 3.904 8.838 -7.966 549 1HE2 GLN 72 HE22 GLN 72 6.352 8.945 -10.772 550 2HE2 GLN 72 HE21 GLN 72 5.367 7.755 -10.070 No H/Q in entry = 550 Start of MODEL 19 1 1H ALA 1 HT2 ALA 1 16.461 1.015 0.368 2 2H ALA 1 HT1 ALA 1 17.746 1.611 -0.570 3 3H ALA 1 HT3 ALA 1 17.931 1.438 1.107 4 HA ALA 1 HA ALA 1 17.533 3.692 0.968 5 1HB ALA 1 HB3 ALA 1 17.206 3.346 -1.534 6 2HB ALA 1 HB2 ALA 1 15.499 3.068 -1.188 7 3HB ALA 1 HB1 ALA 1 16.231 4.631 -0.823 8 H THR 2 HN THR 2 15.097 4.926 0.983 9 HA THR 2 HA THR 2 13.172 3.302 2.487 10 HB THR 2 HB THR 2 14.417 4.068 4.287 11 HG1 THR 2 HG1 THR 2 12.143 5.007 4.030 12 1HG2 THR 2 HG23 THR 2 14.981 6.419 2.523 13 2HG2 THR 2 HG22 THR 2 15.148 6.606 4.268 14 3HG2 THR 2 HG21 THR 2 16.113 5.402 3.414 15 H GLN 3 HN GLN 3 11.860 3.678 0.670 16 HA GLN 3 HA GLN 3 11.182 6.537 0.085 17 1HB GLN 3 HB2 GLN 3 11.486 4.041 -1.426 18 2HB GLN 3 HB1 GLN 3 10.048 4.959 -1.875 19 1HG GLN 3 HG2 GLN 3 11.295 6.845 -2.512 20 2HG GLN 3 HG1 GLN 3 12.707 6.340 -1.582 21 1HE2 GLN 3 HE22 GLN 3 14.065 4.417 -4.208 22 2HE2 GLN 3 HE21 GLN 3 14.242 4.990 -2.620 23 H THR 4 HN THR 4 9.003 7.170 -0.134 24 HA THR 4 HA THR 4 6.981 5.338 1.110 25 HB THR 4 HB THR 4 7.658 7.163 2.611 26 HG1 THR 4 HG1 THR 4 5.150 7.205 1.384 27 1HG2 THR 4 HG21 THR 4 7.650 8.639 0.108 28 2HG2 THR 4 HG23 THR 4 6.722 9.478 1.351 29 3HG2 THR 4 HG22 THR 4 8.408 9.054 1.645 30 H VAL 5 HN VAL 5 4.975 5.280 0.039 31 HA VAL 5 HA VAL 5 4.480 7.157 -2.244 32 HB VAL 5 HB VAL 5 4.193 4.216 -2.695 33 1HG1 VAL 5 HG13 VAL 5 3.753 6.441 -4.208 34 2HG1 VAL 5 HG12 VAL 5 5.389 6.010 -4.706 35 3HG1 VAL 5 HG11 VAL 5 4.079 4.840 -4.874 36 1HG2 VAL 5 HG22 VAL 5 6.832 5.709 -2.884 37 2HG2 VAL 5 HG21 VAL 5 6.470 4.398 -1.762 38 3HG2 VAL 5 HG23 VAL 5 6.542 4.081 -3.496 39 H THR 6 HN THR 6 2.236 6.951 -2.978 40 HA THR 6 HA THR 6 0.504 5.789 -0.839 41 HB THR 6 HB THR 6 0.126 8.161 -1.148 42 HG1 THR 6 HG1 THR 6 -2.013 7.949 -2.372 43 1HG2 THR 6 HG22 THR 6 0.374 7.395 -4.016 44 2HG2 THR 6 HG21 THR 6 -0.681 8.751 -3.615 45 3HG2 THR 6 HG23 THR 6 1.026 8.801 -3.173 46 H LEU 7 HN LEU 7 -1.386 4.663 -1.688 47 HA LEU 7 HA LEU 7 -0.924 3.558 -4.417 48 1HB LEU 7 HB2 LEU 7 -0.986 2.381 -1.729 49 2HB LEU 7 HB1 LEU 7 -2.022 1.534 -2.877 50 HG LEU 7 HG LEU 7 -0.242 1.002 -4.283 51 1HD1 LEU 7 HD13 LEU 7 1.269 3.229 -2.948 52 2HD1 LEU 7 HD12 LEU 7 2.049 2.045 -3.993 53 3HD1 LEU 7 HD11 LEU 7 0.804 3.098 -4.638 54 1HD2 LEU 7 HD22 LEU 7 -0.010 -0.211 -2.132 55 2HD2 LEU 7 HD21 LEU 7 1.565 0.081 -2.870 56 3HD2 LEU 7 HD23 LEU 7 1.019 1.089 -1.531 57 H ALA 8 HN ALA 8 -2.860 2.635 -5.384 58 HA ALA 8 HA ALA 8 -5.318 4.103 -4.496 59 1HB ALA 8 HB2 ALA 8 -4.002 3.452 -7.050 60 2HB ALA 8 HB1 ALA 8 -5.750 3.220 -7.067 61 3HB ALA 8 HB3 ALA 8 -5.074 4.794 -6.650 62 H VAL 9 HN VAL 9 -6.357 2.618 -3.133 63 HA VAL 9 HA VAL 9 -6.925 -0.113 -4.261 64 HB VAL 9 HB VAL 9 -5.626 -0.165 -2.197 65 1HG1 VAL 9 HG13 VAL 9 -7.274 2.143 -1.586 66 2HG1 VAL 9 HG12 VAL 9 -7.306 0.985 -0.257 67 3HG1 VAL 9 HG11 VAL 9 -5.767 1.627 -0.832 68 1HG2 VAL 9 HG21 VAL 9 -8.458 -1.004 -2.193 69 2HG2 VAL 9 HG23 VAL 9 -7.008 -1.926 -1.792 70 3HG2 VAL 9 HG22 VAL 9 -7.735 -0.866 -0.589 71 HA PRO 10 HA PRO 10 -10.909 2.198 -4.257 72 1HB PRO 10 HB2 PRO 10 -11.751 0.853 -6.565 73 2HB PRO 10 HB1 PRO 10 -10.970 2.437 -6.510 74 1HG PRO 10 HG2 PRO 10 -9.894 -0.092 -7.471 75 2HG PRO 10 HG1 PRO 10 -9.215 1.531 -7.626 76 1HD PRO 10 HD2 PRO 10 -8.370 -0.582 -5.843 77 2HD PRO 10 HD1 PRO 10 -7.680 1.052 -6.012 78 H GLY 11 HN GLY 11 -10.562 -0.146 -2.530 79 1HA GLY 11 HA2 GLY 11 -12.797 -1.916 -3.355 80 2HA GLY 11 HA1 GLY 11 -11.699 -2.216 -2.009 81 H MET 12 HN MET 12 -11.897 0.489 -0.938 82 HA MET 12 HA MET 12 -13.193 1.630 0.659 83 1HB MET 12 HB2 MET 12 -15.282 0.766 -1.374 84 2HB MET 12 HB1 MET 12 -15.544 1.992 -0.133 85 1HG MET 12 HG2 MET 12 -13.101 2.570 -1.539 86 2HG MET 12 HG1 MET 12 -14.406 2.351 -2.705 87 1HE MET 12 HE3 MET 12 -13.736 4.405 -3.380 88 2HE MET 12 HE2 MET 12 -14.811 5.767 -3.076 89 3HE MET 12 HE1 MET 12 -13.244 5.695 -2.274 90 H THR 13 HN THR 13 -15.844 -0.496 -0.180 91 HA THR 13 HA THR 13 -16.955 -2.129 1.096 92 HB THR 13 HB THR 13 -14.181 -2.623 0.934 93 HG1 THR 13 HG1 THR 13 -15.962 -3.968 0.326 94 1HG2 THR 13 HG22 THR 13 -14.132 -2.056 3.389 95 2HG2 THR 13 HG21 THR 13 -15.182 -3.447 3.659 96 3HG2 THR 13 HG23 THR 13 -13.568 -3.677 2.985 97 H CYS 14 HN CYS 14 -15.936 0.694 2.262 98 HA CYS 14 HA CYS 14 -16.525 1.914 4.178 99 1HB CYS 14 HB2 CYS 14 -18.287 -0.287 3.947 100 2HB CYS 14 HB1 CYS 14 -17.849 -0.175 5.652 101 HG CYS 14 HG CYS 14 -18.460 2.576 4.992 102 H ALA 15 HN ALA 15 -14.753 2.325 5.381 103 HA ALA 15 HA ALA 15 -12.864 1.924 6.784 104 1HB ALA 15 HB2 ALA 15 -15.283 2.149 7.965 105 2HB ALA 15 HB1 ALA 15 -14.777 0.588 8.613 106 3HB ALA 15 HB3 ALA 15 -13.778 2.018 8.875 107 H ALA 16 HN ALA 16 -12.780 -0.192 4.962 108 HA ALA 16 HA ALA 16 -11.695 -2.322 6.701 109 1HB ALA 16 HB1 ALA 16 -14.228 -2.450 5.256 110 2HB ALA 16 HB3 ALA 16 -13.136 -3.757 4.797 111 3HB ALA 16 HB2 ALA 16 -13.588 -3.538 6.487 112 H CYS 17 HN CYS 17 -12.307 -1.173 3.359 113 HA CYS 17 HA CYS 17 -10.366 -2.730 2.001 114 1HB CYS 17 HB2 CYS 17 -12.124 -1.138 1.092 115 2HB CYS 17 HB1 CYS 17 -11.001 0.172 1.455 116 HG CYS 17 HG CYS 17 -9.919 -0.382 -0.691 117 HA PRO 18 HA PRO 18 -7.152 0.673 3.135 118 1HB PRO 18 HB2 PRO 18 -7.936 2.205 5.370 119 2HB PRO 18 HB1 PRO 18 -7.965 2.720 3.681 120 1HG PRO 18 HG2 PRO 18 -10.206 2.193 5.413 121 2HG PRO 18 HG1 PRO 18 -10.227 2.757 3.739 122 1HD PRO 18 HD2 PRO 18 -10.824 0.090 4.771 123 2HD PRO 18 HD1 PRO 18 -11.053 0.721 3.127 124 H ILE 19 HN ILE 19 -8.766 -1.380 5.307 125 HA ILE 19 HA ILE 19 -6.689 -1.242 7.419 126 HB ILE 19 HB ILE 19 -9.291 -2.717 6.972 127 1HG1 ILE 19 HG12 ILE 19 -8.301 -0.820 9.125 128 2HG1 ILE 19 HG11 ILE 19 -9.375 -0.387 7.794 129 1HG2 ILE 19 HG21 ILE 19 -7.094 -3.278 8.943 130 2HG2 ILE 19 HG23 ILE 19 -8.774 -3.519 9.421 131 3HG2 ILE 19 HG22 ILE 19 -8.109 -4.416 8.056 132 1HD1 ILE 19 HD13 ILE 19 -10.424 -2.709 9.122 133 2HD1 ILE 19 HD12 ILE 19 -10.095 -1.460 10.323 134 3HD1 ILE 19 HD11 ILE 19 -11.156 -1.113 8.958 135 H THR 20 HN THR 20 -7.843 -3.293 4.826 136 HA THR 20 HA THR 20 -6.042 -5.513 5.349 137 HB THR 20 HB THR 20 -7.993 -4.567 3.281 138 HG1 THR 20 HG1 THR 20 -8.873 -5.774 4.857 139 1HG2 THR 20 HG22 THR 20 -6.041 -6.841 2.895 140 2HG2 THR 20 HG21 THR 20 -7.468 -6.566 1.896 141 3HG2 THR 20 HG23 THR 20 -6.164 -5.379 1.916 142 H VAL 21 HN VAL 21 -6.093 -2.610 3.299 143 HA VAL 21 HA VAL 21 -3.750 -3.236 1.768 144 HB VAL 21 HB VAL 21 -5.063 -0.627 2.607 145 1HG1 VAL 21 HG11 VAL 21 -2.827 -1.246 0.682 146 2HG1 VAL 21 HG13 VAL 21 -3.860 0.163 0.446 147 3HG1 VAL 21 HG12 VAL 21 -2.900 0.010 1.918 148 1HG2 VAL 21 HG23 VAL 21 -5.822 -2.689 0.778 149 2HG2 VAL 21 HG22 VAL 21 -6.616 -1.140 1.061 150 3HG2 VAL 21 HG21 VAL 21 -5.360 -1.271 -0.164 151 H LYS 22 HN LYS 22 -4.316 -1.359 4.735 152 HA LYS 22 HA LYS 22 -1.711 -0.466 5.289 153 1HB LYS 22 HB2 LYS 22 -3.983 -0.143 6.504 154 2HB LYS 22 HB1 LYS 22 -3.564 -1.616 7.380 155 1HG LYS 22 HG2 LYS 22 -1.810 -0.620 8.500 156 2HG LYS 22 HG1 LYS 22 -1.487 0.521 7.195 157 1HD LYS 22 HD2 LYS 22 -3.245 1.947 7.838 158 2HD LYS 22 HD1 LYS 22 -4.039 0.690 8.786 159 1HE LYS 22 HE2 LYS 22 -1.296 1.288 9.690 160 2HE LYS 22 HE1 LYS 22 -2.431 2.642 9.867 161 1HZ LYS 22 HZ2 LYS 22 -4.039 0.914 10.749 162 2HZ LYS 22 HZ1 LYS 22 -2.699 -0.118 10.906 163 3HZ LYS 22 HZ3 LYS 22 -2.752 1.337 11.775 164 H LYS 23 HN LYS 23 -3.187 -3.538 6.441 165 HA LYS 23 HA LYS 23 -0.669 -4.527 7.463 166 1HB LYS 23 HB2 LYS 23 -1.961 -6.411 8.085 167 2HB LYS 23 HB1 LYS 23 -3.104 -5.069 8.129 168 1HG LYS 23 HG2 LYS 23 -4.314 -6.621 6.898 169 2HG LYS 23 HG1 LYS 23 -3.503 -5.740 5.604 170 1HD LYS 23 HD2 LYS 23 -2.188 -7.511 5.051 171 2HD LYS 23 HD1 LYS 23 -1.933 -7.967 6.735 172 1HE LYS 23 HE2 LYS 23 -3.261 -9.672 5.434 173 2HE LYS 23 HE1 LYS 23 -4.150 -9.016 6.824 174 1HZ LYS 23 HZ3 LYS 23 -4.336 -7.474 4.372 175 2HZ LYS 23 HZ2 LYS 23 -5.102 -8.990 4.327 176 3HZ LYS 23 HZ1 LYS 23 -5.537 -7.849 5.509 177 H ALA 24 HN ALA 24 -1.937 -4.409 4.286 178 HA ALA 24 HA ALA 24 -0.707 -6.826 3.291 179 1HB ALA 24 HB2 ALA 24 -1.781 -4.308 1.993 180 2HB ALA 24 HB1 ALA 24 -1.284 -5.741 1.092 181 3HB ALA 24 HB3 ALA 24 -2.645 -5.829 2.211 182 H LEU 25 HN LEU 25 -0.019 -3.399 2.582 183 HA LEU 25 HA LEU 25 2.553 -3.778 1.451 184 1HB LEU 25 HB2 LEU 25 1.360 -1.471 3.017 185 2HB LEU 25 HB1 LEU 25 2.738 -1.351 1.918 186 HG LEU 25 HG LEU 25 0.893 -2.651 0.366 187 1HD1 LEU 25 HD12 LEU 25 -0.519 -1.171 2.465 188 2HD1 LEU 25 HD11 LEU 25 -1.024 -0.761 0.825 189 3HD1 LEU 25 HD13 LEU 25 -1.104 -2.432 1.379 190 1HD2 LEU 25 HD22 LEU 25 2.107 -0.037 0.577 191 2HD2 LEU 25 HD21 LEU 25 1.649 -0.934 -0.871 192 3HD2 LEU 25 HD23 LEU 25 0.469 0.097 -0.064 193 H SER 26 HN SER 26 1.512 -3.405 4.806 194 HA SER 26 HA SER 26 4.170 -3.064 5.918 195 1HB SER 26 HB2 SER 26 2.706 -2.483 7.556 196 2HB SER 26 HB1 SER 26 1.388 -3.341 6.765 197 HG SER 26 HG SER 26 3.313 -4.297 8.594 198 H LYS 27 HN LYS 27 2.185 -5.823 4.978 199 HA LYS 27 HA LYS 27 3.953 -7.720 6.345 200 1HB LYS 27 HB2 LYS 27 1.818 -8.564 6.390 201 2HB LYS 27 HB1 LYS 27 1.350 -7.673 4.946 202 1HG LYS 27 HG2 LYS 27 3.242 -9.992 4.715 203 2HG LYS 27 HG1 LYS 27 1.504 -10.276 4.828 204 1HD LYS 27 HD2 LYS 27 2.020 -8.130 2.972 205 2HD LYS 27 HD1 LYS 27 2.966 -9.549 2.522 206 1HE LYS 27 HE2 LYS 27 0.335 -10.414 3.302 207 2HE LYS 27 HE1 LYS 27 0.190 -9.133 2.082 208 1HZ LYS 27 HZ3 LYS 27 2.033 -10.320 0.870 209 2HZ LYS 27 HZ2 LYS 27 1.776 -11.633 1.918 210 3HZ LYS 27 HZ1 LYS 27 0.535 -11.115 0.879 211 H VAL 28 HN VAL 28 3.940 -6.053 3.414 212 HA VAL 28 HA VAL 28 4.771 -7.749 1.396 213 HB VAL 28 HB VAL 28 5.568 -5.006 2.330 214 1HG1 VAL 28 HG12 VAL 28 6.992 -6.670 0.301 215 2HG1 VAL 28 HG11 VAL 28 6.681 -4.984 -0.110 216 3HG1 VAL 28 HG13 VAL 28 7.614 -5.382 1.332 217 1HG2 VAL 28 HG22 VAL 28 3.406 -5.400 1.200 218 2HG2 VAL 28 HG21 VAL 28 4.457 -4.376 0.222 219 3HG2 VAL 28 HG23 VAL 28 4.256 -6.080 -0.187 220 H GLU 29 HN GLU 29 7.354 -6.014 3.071 221 HA GLU 29 HA GLU 29 8.747 -8.163 4.271 222 1HB GLU 29 HB2 GLU 29 8.801 -8.032 1.337 223 2HB GLU 29 HB1 GLU 29 10.415 -8.059 2.049 224 1HG GLU 29 HG2 GLU 29 8.784 -9.941 3.455 225 2HG GLU 29 HG1 GLU 29 8.607 -10.238 1.725 226 H GLY 30 HN GLY 30 9.568 -5.580 1.928 227 1HA GLY 30 HA2 GLY 30 11.699 -4.601 3.706 228 2HA GLY 30 HA1 GLY 30 11.292 -3.949 2.116 229 H VAL 31 HN VAL 31 8.384 -3.859 2.890 230 HA VAL 31 HA VAL 31 8.126 -1.164 3.647 231 HB VAL 31 HB VAL 31 6.354 -3.583 4.051 232 1HG1 VAL 31 HG11 VAL 31 5.762 -0.636 4.459 233 2HG1 VAL 31 HG13 VAL 31 4.517 -1.878 4.322 234 3HG1 VAL 31 HG12 VAL 31 5.656 -1.916 5.668 235 1HG2 VAL 31 HG21 VAL 31 6.603 -1.388 1.985 236 2HG2 VAL 31 HG23 VAL 31 6.661 -3.132 1.735 237 3HG2 VAL 31 HG22 VAL 31 5.133 -2.350 2.137 238 H SER 32 HN SER 32 8.278 -0.086 5.482 239 HA SER 32 HA SER 32 8.707 -1.638 8.012 240 1HB SER 32 HB2 SER 32 9.881 0.869 6.839 241 2HB SER 32 HB1 SER 32 9.876 0.654 8.587 242 HG SER 32 HG SER 32 10.805 -1.508 8.035 243 H LYS 33 HN LYS 33 6.752 0.599 6.347 244 HA LYS 33 HA LYS 33 5.045 0.921 8.750 245 1HB LYS 33 HB2 LYS 33 6.334 2.806 9.173 246 2HB LYS 33 HB1 LYS 33 6.733 3.040 7.477 247 1HG LYS 33 HG2 LYS 33 5.264 4.830 8.021 248 2HG LYS 33 HG1 LYS 33 4.259 3.677 7.149 249 1HD LYS 33 HD2 LYS 33 2.886 3.556 8.926 250 2HD LYS 33 HD1 LYS 33 4.219 2.925 9.895 251 1HE LYS 33 HE2 LYS 33 3.928 4.842 11.117 252 2HE LYS 33 HE1 LYS 33 4.822 5.615 9.792 253 1HZ LYS 33 HZ3 LYS 33 1.921 5.124 9.572 254 2HZ LYS 33 HZ2 LYS 33 2.498 6.513 10.363 255 3HZ LYS 33 HZ1 LYS 33 2.875 6.243 8.728 256 H VAL 34 HN VAL 34 2.899 1.798 8.123 257 HA VAL 34 HA VAL 34 2.334 2.080 5.239 258 HB VAL 34 HB VAL 34 2.459 -0.384 5.793 259 1HG1 VAL 34 HG11 VAL 34 0.777 0.519 7.958 260 2HG1 VAL 34 HG13 VAL 34 -0.079 -0.695 7.008 261 3HG1 VAL 34 HG12 VAL 34 1.494 -1.071 7.708 262 1HG2 VAL 34 HG21 VAL 34 -0.225 0.768 4.970 263 2HG2 VAL 34 HG23 VAL 34 1.123 0.384 3.900 264 3HG2 VAL 34 HG22 VAL 34 0.257 -0.910 4.725 265 H ASP 35 HN ASP 35 0.125 2.847 4.877 266 HA ASP 35 HA ASP 35 -1.566 3.404 7.228 267 1HB ASP 35 HB2 ASP 35 0.365 5.278 6.096 268 2HB ASP 35 HB1 ASP 35 -1.272 5.934 6.080 269 H VAL 36 HN VAL 36 -3.548 4.707 6.460 270 HA VAL 36 HA VAL 36 -4.116 4.340 3.560 271 HB VAL 36 HB VAL 36 -6.266 3.207 4.252 272 1HG1 VAL 36 HG12 VAL 36 -3.760 2.164 3.853 273 2HG1 VAL 36 HG11 VAL 36 -4.192 1.464 5.412 274 3HG1 VAL 36 HG13 VAL 36 -5.227 1.202 4.008 275 1HG2 VAL 36 HG21 VAL 36 -4.987 3.649 6.913 276 2HG2 VAL 36 HG23 VAL 36 -6.694 3.649 6.475 277 3HG2 VAL 36 HG22 VAL 36 -5.833 2.123 6.671 278 H GLY 37 HN GLY 37 -5.956 5.611 2.860 279 1HA GLY 37 HA2 GLY 37 -7.099 7.506 4.826 280 2HA GLY 37 HA1 GLY 37 -6.230 8.188 3.451 281 H PHE 38 HN PHE 38 -9.229 6.989 4.521 282 HA PHE 38 HA PHE 38 -10.339 6.092 2.016 283 1HB PHE 38 HB2 PHE 38 -11.103 6.494 4.753 284 2HB PHE 38 HB1 PHE 38 -12.321 7.245 3.723 285 HD1 PHE 38 HD2 PHE 38 -12.727 5.707 1.450 286 HD2 PHE 38 HD1 PHE 38 -11.570 4.298 5.340 287 HE1 PHE 38 HE2 PHE 38 -13.650 3.467 0.912 288 HE2 PHE 38 HE1 PHE 38 -12.492 2.060 4.802 289 HZ PHE 38 HZ PHE 38 -13.549 1.648 2.599 290 H GLU 39 HN GLU 39 -9.775 9.231 3.451 291 HA GLU 39 HA GLU 39 -11.608 10.850 2.012 292 1HB GLU 39 HB2 GLU 39 -9.813 11.300 3.893 293 2HB GLU 39 HB1 GLU 39 -8.751 11.650 2.529 294 1HG GLU 39 HG2 GLU 39 -10.266 13.367 1.721 295 2HG GLU 39 HG1 GLU 39 -11.454 12.951 2.957 296 H LYS 40 HN LYS 40 -8.749 9.139 1.008 297 HA LYS 40 HA LYS 40 -9.150 10.132 -1.777 298 1HB LYS 40 HB2 LYS 40 -7.286 11.296 -0.431 299 2HB LYS 40 HB1 LYS 40 -6.435 9.752 -0.500 300 1HG LYS 40 HG2 LYS 40 -5.740 11.235 -2.354 301 2HG LYS 40 HG1 LYS 40 -6.546 9.789 -2.961 302 1HD LYS 40 HD2 LYS 40 -8.602 10.992 -3.319 303 2HD LYS 40 HD1 LYS 40 -7.980 12.413 -2.480 304 1HE LYS 40 HE2 LYS 40 -6.282 11.512 -4.721 305 2HE LYS 40 HE1 LYS 40 -7.890 12.089 -5.203 306 1HZ LYS 40 HZ3 LYS 40 -6.095 13.518 -3.316 307 2HZ LYS 40 HZ2 LYS 40 -6.239 13.901 -4.964 308 3HZ LYS 40 HZ1 LYS 40 -7.575 14.076 -3.928 309 H ARG 41 HN ARG 41 -9.890 7.631 -0.413 310 HA ARG 41 HA ARG 41 -9.414 5.292 -0.431 311 1HB ARG 41 HB2 ARG 41 -11.024 6.113 -2.123 312 2HB ARG 41 HB1 ARG 41 -9.701 6.233 -3.283 313 1HG ARG 41 HG2 ARG 41 -10.918 4.131 -3.561 314 2HG ARG 41 HG1 ARG 41 -9.261 3.841 -3.035 315 1HD ARG 41 HD2 ARG 41 -11.403 4.095 -0.947 316 2HD ARG 41 HD1 ARG 41 -11.242 2.567 -1.834 317 HE ARG 41 HE ARG 41 -8.630 3.303 -1.135 318 1HH1 ARG 41 HH21 ARG 41 -11.619 2.667 0.466 319 2HH1 ARG 41 HH22 ARG 41 -10.866 2.101 1.918 320 1HH2 ARG 41 HH11 ARG 41 -7.638 2.559 0.745 321 2HH2 ARG 41 HH12 ARG 41 -8.615 2.027 2.072 322 H GLU 42 HN GLU 42 -6.902 6.014 0.028 323 HA GLU 42 HA GLU 42 -5.349 4.406 -1.928 324 1HB GLU 42 HB2 GLU 42 -3.654 6.248 -2.067 325 2HB GLU 42 HB1 GLU 42 -5.222 6.723 -2.722 326 1HG GLU 42 HG2 GLU 42 -5.786 7.796 -0.560 327 2HG GLU 42 HG1 GLU 42 -4.196 7.352 0.063 328 H ALA 43 HN ALA 43 -3.008 4.056 -1.011 329 HA ALA 43 HA ALA 43 -3.115 4.124 1.995 330 1HB ALA 43 HB1 ALA 43 -2.253 1.907 0.104 331 2HB ALA 43 HB3 ALA 43 -1.967 1.867 1.844 332 3HB ALA 43 HB2 ALA 43 -3.617 1.877 1.221 333 H VAL 44 HN VAL 44 -1.294 5.076 2.877 334 HA VAL 44 HA VAL 44 0.990 5.633 1.028 335 HB VAL 44 HB VAL 44 -0.259 7.497 2.119 336 1HG1 VAL 44 HG13 VAL 44 -0.279 5.781 4.299 337 2HG1 VAL 44 HG12 VAL 44 0.877 7.025 4.773 338 3HG1 VAL 44 HG11 VAL 44 -0.768 7.475 4.321 339 1HG2 VAL 44 HG23 VAL 44 2.491 7.154 1.929 340 2HG2 VAL 44 HG22 VAL 44 1.670 8.681 2.255 341 3HG2 VAL 44 HG21 VAL 44 2.267 7.697 3.592 342 H VAL 45 HN VAL 45 2.673 4.260 1.283 343 HA VAL 45 HA VAL 45 3.212 3.185 4.030 344 HB VAL 45 HB VAL 45 2.175 1.656 2.339 345 1HG1 VAL 45 HG11 VAL 45 4.498 2.600 0.790 346 2HG1 VAL 45 HG13 VAL 45 4.233 0.860 0.731 347 3HG1 VAL 45 HG12 VAL 45 2.954 1.964 0.232 348 1HG2 VAL 45 HG23 VAL 45 4.880 1.141 3.541 349 2HG2 VAL 45 HG22 VAL 45 3.313 0.491 4.022 350 3HG2 VAL 45 HG21 VAL 45 4.105 -0.105 2.564 351 H THR 46 HN THR 46 5.351 2.862 4.621 352 HA THR 46 HA THR 46 7.440 4.220 2.959 353 HB THR 46 HB THR 46 6.853 3.913 5.891 354 HG1 THR 46 HG1 THR 46 6.330 5.835 4.860 355 1HG2 THR 46 HG22 THR 46 9.592 4.186 4.652 356 2HG2 THR 46 HG21 THR 46 9.245 4.771 6.280 357 3HG2 THR 46 HG23 THR 46 9.066 3.058 5.902 358 H PHE 47 HN PHE 47 9.529 2.993 2.810 359 HA PHE 47 HA PHE 47 9.653 0.336 3.991 360 1HB PHE 47 HB2 PHE 47 9.322 -0.915 1.930 361 2HB PHE 47 HB1 PHE 47 7.917 0.113 2.209 362 HD1 PHE 47 HD2 PHE 47 11.089 -0.199 0.230 363 HD2 PHE 47 HD1 PHE 47 7.347 1.880 0.727 364 HE1 PHE 47 HE2 PHE 47 11.396 0.883 -1.964 365 HE2 PHE 47 HE1 PHE 47 7.665 2.960 -1.478 366 HZ PHE 47 HZ PHE 47 9.677 2.462 -2.824 367 H ASP 48 HN ASP 48 11.376 -0.993 2.787 368 HA ASP 48 HA ASP 48 13.666 0.832 2.240 369 1HB ASP 48 HB2 ASP 48 13.710 -2.126 2.883 370 2HB ASP 48 HB1 ASP 48 15.022 -0.962 3.074 371 H ASP 49 HN ASP 49 14.279 0.933 0.127 372 HA ASP 49 HA ASP 49 12.960 -0.783 -1.826 373 1HB ASP 49 HB2 ASP 49 13.596 1.690 -1.966 374 2HB ASP 49 HB1 ASP 49 15.246 1.142 -2.270 375 H THR 50 HN THR 50 14.954 -2.058 0.100 376 HA THR 50 HA THR 50 17.009 -3.038 -1.824 377 HB THR 50 HB THR 50 17.730 -4.102 0.516 378 HG1 THR 50 HG1 THR 50 17.044 -2.214 2.003 379 1HG2 THR 50 HG22 THR 50 18.230 -1.589 -0.840 380 2HG2 THR 50 HG21 THR 50 18.416 -1.410 0.905 381 3HG2 THR 50 HG23 THR 50 19.356 -2.624 0.038 382 H LYS 51 HN LYS 51 14.228 -3.988 0.102 383 HA LYS 51 HA LYS 51 14.404 -6.744 -1.068 384 1HB LYS 51 HB2 LYS 51 13.690 -5.693 1.661 385 2HB LYS 51 HB1 LYS 51 13.030 -7.237 1.120 386 1HG LYS 51 HG2 LYS 51 15.222 -8.165 0.815 387 2HG LYS 51 HG1 LYS 51 15.986 -6.590 1.035 388 1HD LYS 51 HD2 LYS 51 16.192 -7.121 3.220 389 2HD LYS 51 HD1 LYS 51 14.443 -6.928 3.338 390 1HE LYS 51 HE2 LYS 51 14.108 -9.171 3.534 391 2HE LYS 51 HE1 LYS 51 15.260 -9.536 2.233 392 1HZ LYS 51 HZ3 LYS 51 16.274 -8.446 4.762 393 2HZ LYS 51 HZ2 LYS 51 15.854 -10.091 4.703 394 3HZ LYS 51 HZ1 LYS 51 17.038 -9.474 3.652 395 H ALA 52 HN ALA 52 12.663 -3.862 -0.935 396 HA ALA 52 HA ALA 52 10.316 -5.134 -2.244 397 1HB ALA 52 HB1 ALA 52 10.443 -4.125 0.460 398 2HB ALA 52 HB3 ALA 52 9.322 -3.146 -0.485 399 3HB ALA 52 HB2 ALA 52 9.084 -4.890 -0.363 400 H SER 53 HN SER 53 8.751 -2.859 -2.452 401 HA SER 53 HA SER 53 10.075 -0.426 -3.085 402 1HB SER 53 HB2 SER 53 10.611 -2.619 -4.849 403 2HB SER 53 HB1 SER 53 9.664 -1.424 -5.732 404 HG SER 53 HG SER 53 11.825 -0.878 -5.882 405 H VAL 54 HN VAL 54 8.656 1.000 -4.448 406 HA VAL 54 HA VAL 54 5.974 1.040 -3.764 407 HB VAL 54 HB VAL 54 7.412 2.736 -5.020 408 1HG1 VAL 54 HG13 VAL 54 8.095 1.154 -6.822 409 2HG1 VAL 54 HG12 VAL 54 6.426 1.123 -7.393 410 3HG1 VAL 54 HG11 VAL 54 7.354 2.620 -7.464 411 1HG2 VAL 54 HG23 VAL 54 4.739 2.552 -4.736 412 2HG2 VAL 54 HG22 VAL 54 5.504 3.870 -5.625 413 3HG2 VAL 54 HG21 VAL 54 4.837 2.488 -6.495 414 H GLN 55 HN GLN 55 7.393 -0.592 -6.613 415 HA GLN 55 HA GLN 55 5.003 -1.491 -7.831 416 1HB GLN 55 HB2 GLN 55 7.362 -1.623 -8.698 417 2HB GLN 55 HB1 GLN 55 7.654 -2.952 -7.575 418 1HG GLN 55 HG2 GLN 55 5.827 -4.241 -8.634 419 2HG GLN 55 HG1 GLN 55 5.561 -2.918 -9.771 420 1HE2 GLN 55 HE22 GLN 55 8.671 -3.534 -11.532 421 2HE2 GLN 55 HE21 GLN 55 7.682 -2.255 -11.017 422 H LYS 56 HN LYS 56 6.964 -2.993 -5.266 423 HA LYS 56 HA LYS 56 5.231 -5.297 -4.961 424 1HB LYS 56 HB2 LYS 56 7.538 -4.023 -3.515 425 2HB LYS 56 HB1 LYS 56 6.648 -5.330 -2.733 426 1HG LYS 56 HG2 LYS 56 7.897 -5.482 -5.493 427 2HG LYS 56 HG1 LYS 56 8.582 -6.190 -4.029 428 1HD LYS 56 HD2 LYS 56 6.066 -7.209 -3.921 429 2HD LYS 56 HD1 LYS 56 6.286 -7.099 -5.668 430 1HE LYS 56 HE2 LYS 56 8.277 -8.463 -5.587 431 2HE LYS 56 HE1 LYS 56 8.308 -8.399 -3.814 432 1HZ LYS 56 HZ2 LYS 56 5.770 -9.232 -4.884 433 2HZ LYS 56 HZ1 LYS 56 7.033 -10.297 -5.279 434 3HZ LYS 56 HZ3 LYS 56 6.709 -9.935 -3.655 435 H LEU 57 HN LEU 57 5.178 -2.017 -3.691 436 HA LEU 57 HA LEU 57 3.566 -2.570 -1.347 437 1HB LEU 57 HB2 LEU 57 3.835 -0.103 -3.098 438 2HB LEU 57 HB1 LEU 57 3.173 -0.125 -1.469 439 HG LEU 57 HG LEU 57 6.013 -0.893 -2.214 440 1HD1 LEU 57 HD13 LEU 57 4.758 1.623 -1.921 441 2HD1 LEU 57 HD12 LEU 57 5.681 1.365 -0.441 442 3HD1 LEU 57 HD11 LEU 57 6.489 1.299 -2.007 443 1HD2 LEU 57 HD21 LEU 57 4.376 -1.207 0.221 444 2HD2 LEU 57 HD23 LEU 57 5.907 -1.972 -0.205 445 3HD2 LEU 57 HD22 LEU 57 5.895 -0.357 0.503 446 H THR 58 HN THR 58 2.776 -1.197 -4.555 447 HA THR 58 HA THR 58 -0.048 -1.235 -4.315 448 HB THR 58 HB THR 58 1.793 -1.622 -6.701 449 HG1 THR 58 HG1 THR 58 2.187 0.385 -6.291 450 1HG2 THR 58 HG22 THR 58 -0.851 -2.139 -6.745 451 2HG2 THR 58 HG21 THR 58 -0.896 -0.392 -6.980 452 3HG2 THR 58 HG23 THR 58 -0.002 -1.410 -8.109 453 H LYS 59 HN LYS 59 2.251 -3.777 -5.254 454 HA LYS 59 HA LYS 59 0.235 -5.676 -6.043 455 1HB LYS 59 HB2 LYS 59 2.727 -5.537 -6.663 456 2HB LYS 59 HB1 LYS 59 3.042 -6.242 -5.077 457 1HG LYS 59 HG2 LYS 59 1.852 -8.238 -5.618 458 2HG LYS 59 HG1 LYS 59 1.142 -7.509 -7.058 459 1HD LYS 59 HD2 LYS 59 3.813 -7.188 -7.564 460 2HD LYS 59 HD1 LYS 59 3.809 -8.718 -6.685 461 1HE LYS 59 HE2 LYS 59 1.856 -9.388 -8.270 462 2HE LYS 59 HE1 LYS 59 2.423 -8.043 -9.280 463 1HZ LYS 59 HZ3 LYS 59 4.693 -8.981 -9.068 464 2HZ LYS 59 HZ2 LYS 59 4.027 -10.343 -8.301 465 3HZ LYS 59 HZ1 LYS 59 3.626 -9.992 -9.914 466 H ALA 60 HN ALA 60 1.741 -4.752 -3.023 467 HA ALA 60 HA ALA 60 1.070 -7.086 -1.512 468 1HB ALA 60 HB1 ALA 60 2.705 -5.121 -1.055 469 2HB ALA 60 HB3 ALA 60 1.283 -4.277 -0.443 470 3HB ALA 60 HB2 ALA 60 1.812 -5.777 0.317 471 H THR 61 HN THR 61 -0.499 -3.880 -1.799 472 HA THR 61 HA THR 61 -2.822 -4.600 -0.247 473 HB THR 61 HB THR 61 -2.083 -2.276 -0.686 474 HG1 THR 61 HG1 THR 61 -4.541 -2.800 -1.991 475 1HG2 THR 61 HG22 THR 61 -2.739 -2.997 -3.554 476 2HG2 THR 61 HG21 THR 61 -2.451 -1.351 -2.992 477 3HG2 THR 61 HG23 THR 61 -1.159 -2.548 -2.911 478 H ALA 62 HN ALA 62 -1.831 -4.809 -3.543 479 HA ALA 62 HA ALA 62 -4.325 -5.473 -4.778 480 1HB ALA 62 HB1 ALA 62 -2.219 -4.791 -5.929 481 2HB ALA 62 HB3 ALA 62 -1.497 -6.334 -5.473 482 3HB ALA 62 HB2 ALA 62 -2.868 -6.295 -6.582 483 H ASP 63 HN ASP 63 -1.924 -7.359 -3.007 484 HA ASP 63 HA ASP 63 -3.296 -9.910 -3.609 485 1HB ASP 63 HB2 ASP 63 -1.343 -10.864 -2.787 486 2HB ASP 63 HB1 ASP 63 -0.717 -9.291 -3.269 487 H ALA 64 HN ALA 64 -3.551 -7.350 -1.386 488 HA ALA 64 HA ALA 64 -4.406 -8.878 0.947 489 1HB ALA 64 HB3 ALA 64 -3.467 -6.386 0.509 490 2HB ALA 64 HB2 ALA 64 -5.194 -6.035 0.470 491 3HB ALA 64 HB1 ALA 64 -4.475 -6.768 1.904 492 H GLY 65 HN GLY 65 -5.884 -7.381 -1.874 493 1HA GLY 65 HA2 GLY 65 -8.050 -8.826 -2.352 494 2HA GLY 65 HA1 GLY 65 -8.578 -8.074 -0.852 495 H TYR 66 HN TYR 66 -6.612 -6.365 -3.263 496 HA TYR 66 HA TYR 66 -8.982 -4.984 -4.353 497 1HB TYR 66 HB2 TYR 66 -6.901 -3.556 -2.679 498 2HB TYR 66 HB1 TYR 66 -8.294 -2.812 -3.456 499 HD1 TYR 66 HD1 TYR 66 -10.613 -3.638 -2.771 500 HD2 TYR 66 HD2 TYR 66 -7.027 -4.422 -0.567 501 HE1 TYR 66 HE1 TYR 66 -11.959 -4.070 -0.748 502 HE2 TYR 66 HE2 TYR 66 -8.358 -4.850 1.456 503 HH TYR 66 HH TYR 66 -11.440 -5.587 1.518 504 HA PRO 67 HA PRO 67 -5.679 -5.066 -7.511 505 1HB PRO 67 HB2 PRO 67 -7.678 -3.852 -9.232 506 2HB PRO 67 HB1 PRO 67 -6.996 -5.477 -9.337 507 1HG PRO 67 HG2 PRO 67 -9.628 -4.741 -8.482 508 2HG PRO 67 HG1 PRO 67 -8.926 -6.360 -8.548 509 1HD PRO 67 HD2 PRO 67 -9.549 -4.815 -6.201 510 2HD PRO 67 HD1 PRO 67 -8.781 -6.422 -6.271 511 H SER 68 HN SER 68 -4.464 -3.331 -6.589 512 HA SER 68 HA SER 68 -5.679 -0.614 -6.732 513 1HB SER 68 HB2 SER 68 -4.158 -0.115 -4.928 514 2HB SER 68 HB1 SER 68 -4.890 -1.679 -4.583 515 HG SER 68 HG SER 68 -2.285 -1.016 -5.234 516 H SER 69 HN SER 69 -3.451 0.935 -6.564 517 HA SER 69 HA SER 69 -1.598 0.334 -8.793 518 1HB SER 69 HB2 SER 69 -3.972 1.639 -9.259 519 2HB SER 69 HB1 SER 69 -2.895 2.988 -8.911 520 HG SER 69 HG SER 69 -2.389 0.898 -10.772 521 H VAL 70 HN VAL 70 -0.548 2.959 -8.935 522 HA VAL 70 HA VAL 70 0.099 3.617 -6.120 523 HB VAL 70 HB VAL 70 1.577 1.908 -7.329 524 1HG1 VAL 70 HG13 VAL 70 1.622 3.905 -9.265 525 2HG1 VAL 70 HG12 VAL 70 3.193 4.063 -8.481 526 3HG1 VAL 70 HG11 VAL 70 2.715 2.522 -9.192 527 1HG2 VAL 70 HG22 VAL 70 2.148 4.030 -5.507 528 2HG2 VAL 70 HG21 VAL 70 2.980 2.481 -5.650 529 3HG2 VAL 70 HG23 VAL 70 3.535 3.873 -6.581 530 H LYS 71 HN LYS 71 1.066 5.744 -5.854 531 HA LYS 71 HA LYS 71 0.706 7.512 -8.256 532 1HB LYS 71 HB2 LYS 71 0.143 8.617 -5.553 533 2HB LYS 71 HB1 LYS 71 -0.693 8.916 -7.073 534 1HG LYS 71 HG2 LYS 71 -1.802 6.745 -6.935 535 2HG LYS 71 HG1 LYS 71 -0.907 6.355 -5.466 536 1HD LYS 71 HD2 LYS 71 -2.601 7.278 -4.312 537 2HD LYS 71 HD1 LYS 71 -2.057 8.839 -4.929 538 1HE LYS 71 HE2 LYS 71 -3.623 7.432 -6.939 539 2HE LYS 71 HE1 LYS 71 -4.548 7.650 -5.440 540 1HZ LYS 71 HZ1 LYS 71 -2.894 9.835 -6.539 541 2HZ LYS 71 HZ3 LYS 71 -4.479 9.593 -7.093 542 3HZ LYS 71 HZ2 LYS 71 -4.196 9.931 -5.452 543 H GLN 72 HN GLN 72 2.975 6.214 -6.988 544 HA GLN 72 HA GLN 72 4.679 7.666 -5.378 545 1HB GLN 72 HB2 GLN 72 6.435 6.532 -6.504 546 2HB GLN 72 HB1 GLN 72 5.021 5.518 -6.791 547 1HG GLN 72 HG2 GLN 72 4.693 6.834 -8.961 548 2HG GLN 72 HG1 GLN 72 6.311 7.483 -8.693 549 1HE2 GLN 72 HE22 GLN 72 7.913 4.275 -9.208 550 2HE2 GLN 72 HE21 GLN 72 8.046 5.682 -8.269 No H/Q in entry = 550 Start of MODEL 20 1 1H ALA 1 HT3 ALA 1 17.465 2.647 2.538 2 2H ALA 1 HT2 ALA 1 18.391 2.577 1.116 3 3H ALA 1 HT1 ALA 1 18.348 4.004 2.035 4 HA ALA 1 HA ALA 1 16.784 4.665 0.570 5 1HB ALA 1 HB2 ALA 1 17.504 2.494 -0.645 6 2HB ALA 1 HB1 ALA 1 16.058 1.775 0.063 7 3HB ALA 1 HB3 ALA 1 15.913 3.146 -1.037 8 H THR 2 HN THR 2 15.008 5.522 1.541 9 HA THR 2 HA THR 2 12.999 3.799 2.807 10 HB THR 2 HB THR 2 14.156 4.432 4.718 11 HG1 THR 2 HG1 THR 2 12.427 5.308 5.478 12 1HG2 THR 2 HG22 THR 2 15.801 5.862 3.505 13 2HG2 THR 2 HG21 THR 2 14.617 7.169 3.510 14 3HG2 THR 2 HG23 THR 2 15.282 6.576 5.031 15 H GLN 3 HN GLN 3 11.743 4.278 1.031 16 HA GLN 3 HA GLN 3 11.153 7.167 0.487 17 1HB GLN 3 HB2 GLN 3 11.426 4.697 -1.053 18 2HB GLN 3 HB1 GLN 3 9.996 5.627 -1.505 19 1HG GLN 3 HG2 GLN 3 11.906 6.361 -2.844 20 2HG GLN 3 HG1 GLN 3 11.425 7.652 -1.743 21 1HE2 GLN 3 HE22 GLN 3 14.680 7.822 -0.433 22 2HE2 GLN 3 HE21 GLN 3 13.277 8.638 -0.929 23 H THR 4 HN THR 4 8.910 7.725 -0.086 24 HA THR 4 HA THR 4 6.855 6.046 1.304 25 HB THR 4 HB THR 4 7.424 7.844 2.784 26 HG1 THR 4 HG1 THR 4 5.094 7.610 1.830 27 1HG2 THR 4 HG21 THR 4 8.709 9.161 1.129 28 2HG2 THR 4 HG23 THR 4 7.199 9.681 0.382 29 3HG2 THR 4 HG22 THR 4 7.584 10.176 2.030 30 H VAL 5 HN VAL 5 5.148 5.635 -0.017 31 HA VAL 5 HA VAL 5 4.438 7.558 -2.214 32 HB VAL 5 HB VAL 5 4.543 4.559 -2.520 33 1HG1 VAL 5 HG12 VAL 5 3.975 6.913 -4.221 34 2HG1 VAL 5 HG11 VAL 5 4.965 5.657 -4.966 35 3HG1 VAL 5 HG13 VAL 5 3.364 5.263 -4.339 36 1HG2 VAL 5 HG21 VAL 5 6.706 6.620 -3.013 37 2HG2 VAL 5 HG23 VAL 5 6.815 5.155 -2.037 38 3HG2 VAL 5 HG22 VAL 5 6.706 5.037 -3.793 39 H THR 6 HN THR 6 2.227 6.988 -3.052 40 HA THR 6 HA THR 6 0.532 5.897 -0.845 41 HB THR 6 HB THR 6 -0.115 8.142 -1.271 42 HG1 THR 6 HG1 THR 6 -1.724 6.751 -3.118 43 1HG2 THR 6 HG23 THR 6 0.649 7.430 -4.053 44 2HG2 THR 6 HG22 THR 6 -0.608 8.650 -3.850 45 3HG2 THR 6 HG21 THR 6 0.986 8.900 -3.138 46 H LEU 7 HN LEU 7 -1.512 4.795 -1.869 47 HA LEU 7 HA LEU 7 -0.695 3.383 -4.369 48 1HB LEU 7 HB2 LEU 7 -0.924 2.431 -1.639 49 2HB LEU 7 HB1 LEU 7 -2.034 1.554 -2.693 50 HG LEU 7 HG LEU 7 -0.276 0.886 -4.148 51 1HD1 LEU 7 HD11 LEU 7 1.322 2.971 -2.704 52 2HD1 LEU 7 HD13 LEU 7 2.117 1.668 -3.586 53 3HD1 LEU 7 HD12 LEU 7 1.053 2.784 -4.432 54 1HD2 LEU 7 HD21 LEU 7 -0.224 0.236 -1.409 55 2HD2 LEU 7 HD23 LEU 7 0.523 -0.683 -2.717 56 3HD2 LEU 7 HD22 LEU 7 1.458 0.532 -1.845 57 H ALA 8 HN ALA 8 -2.523 2.426 -5.492 58 HA ALA 8 HA ALA 8 -5.076 3.886 -4.909 59 1HB ALA 8 HB2 ALA 8 -3.755 4.351 -7.025 60 2HB ALA 8 HB1 ALA 8 -4.090 2.691 -7.515 61 3HB ALA 8 HB3 ALA 8 -5.417 3.832 -7.302 62 H VAL 9 HN VAL 9 -6.168 2.333 -3.641 63 HA VAL 9 HA VAL 9 -6.497 -0.385 -4.860 64 HB VAL 9 HB VAL 9 -5.478 -0.512 -2.701 65 1HG1 VAL 9 HG11 VAL 9 -7.418 1.680 -2.047 66 2HG1 VAL 9 HG13 VAL 9 -6.827 0.645 -0.747 67 3HG1 VAL 9 HG12 VAL 9 -5.689 1.582 -1.714 68 1HG2 VAL 9 HG23 VAL 9 -8.307 -1.271 -2.958 69 2HG2 VAL 9 HG22 VAL 9 -6.941 -2.210 -2.362 70 3HG2 VAL 9 HG21 VAL 9 -7.778 -1.094 -1.287 71 HA PRO 10 HA PRO 10 -10.604 1.506 -5.434 72 1HB PRO 10 HB2 PRO 10 -11.167 -0.284 -7.524 73 2HB PRO 10 HB1 PRO 10 -10.502 1.343 -7.698 74 1HG PRO 10 HG2 PRO 10 -9.183 -1.208 -8.134 75 2HG PRO 10 HG1 PRO 10 -8.592 0.416 -8.493 76 1HD PRO 10 HD2 PRO 10 -7.802 -1.330 -6.321 77 2HD PRO 10 HD1 PRO 10 -7.172 0.290 -6.714 78 H GLY 11 HN GLY 11 -10.101 -0.583 -3.394 79 1HA GLY 11 HA2 GLY 11 -12.051 -2.710 -3.907 80 2HA GLY 11 HA1 GLY 11 -11.146 -2.466 -2.412 81 H MET 12 HN MET 12 -11.770 0.026 -1.633 82 HA MET 12 HA MET 12 -13.449 1.084 -0.330 83 1HB MET 12 HB2 MET 12 -13.783 1.382 -3.048 84 2HB MET 12 HB1 MET 12 -15.376 0.815 -2.547 85 1HG MET 12 HG2 MET 12 -14.746 2.654 -0.582 86 2HG MET 12 HG1 MET 12 -14.074 3.394 -2.034 87 1HE MET 12 HE1 MET 12 -16.843 2.718 0.140 88 2HE MET 12 HE3 MET 12 -16.714 4.453 -0.178 89 3HE MET 12 HE2 MET 12 -18.193 3.586 -0.586 90 H THR 13 HN THR 13 -13.418 -1.418 0.532 91 HA THR 13 HA THR 13 -16.053 -2.705 0.163 92 HB THR 13 HB THR 13 -14.708 -4.030 2.184 93 HG1 THR 13 HG1 THR 13 -12.766 -3.184 0.322 94 1HG2 THR 13 HG22 THR 13 -14.893 -4.286 -0.781 95 2HG2 THR 13 HG21 THR 13 -13.753 -5.333 0.065 96 3HG2 THR 13 HG23 THR 13 -15.467 -5.379 0.479 97 H CYS 14 HN CYS 14 -15.351 -0.012 1.641 98 HA CYS 14 HA CYS 14 -16.351 1.169 3.420 99 1HB CYS 14 HB2 CYS 14 -18.232 -0.424 2.501 100 2HB CYS 14 HB1 CYS 14 -17.955 -1.308 4.001 101 HG CYS 14 HG CYS 14 -19.323 1.417 3.772 102 H ALA 15 HN ALA 15 -14.317 1.040 4.609 103 HA ALA 15 HA ALA 15 -13.146 0.613 6.622 104 1HB ALA 15 HB1 ALA 15 -15.751 0.449 7.248 105 2HB ALA 15 HB3 ALA 15 -15.315 -1.239 7.520 106 3HB ALA 15 HB2 ALA 15 -14.495 0.040 8.416 107 H ALA 16 HN ALA 16 -13.018 -1.160 4.189 108 HA ALA 16 HA ALA 16 -11.829 -3.546 5.556 109 1HB ALA 16 HB2 ALA 16 -14.191 -3.397 3.920 110 2HB ALA 16 HB1 ALA 16 -12.966 -4.333 3.064 111 3HB ALA 16 HB3 ALA 16 -13.478 -4.820 4.680 112 H CYS 17 HN CYS 17 -12.204 -1.831 2.445 113 HA CYS 17 HA CYS 17 -9.961 -2.870 1.090 114 1HB CYS 17 HB2 CYS 17 -11.358 -1.621 -0.239 115 2HB CYS 17 HB1 CYS 17 -11.680 -0.439 1.020 116 HG CYS 17 HG CYS 17 -9.464 0.770 0.430 117 HA PRO 18 HA PRO 18 -7.342 0.749 2.932 118 1HB PRO 18 HB2 PRO 18 -8.437 1.783 5.297 119 2HB PRO 18 HB1 PRO 18 -8.499 2.542 3.703 120 1HG PRO 18 HG2 PRO 18 -10.649 1.253 5.218 121 2HG PRO 18 HG1 PRO 18 -10.759 2.315 3.814 122 1HD PRO 18 HD2 PRO 18 -11.144 -0.505 3.865 123 2HD PRO 18 HD1 PRO 18 -11.066 0.535 2.422 124 H ILE 19 HN ILE 19 -8.833 -1.791 4.714 125 HA ILE 19 HA ILE 19 -6.822 -1.716 6.898 126 HB ILE 19 HB ILE 19 -9.299 -3.310 6.228 127 1HG1 ILE 19 HG12 ILE 19 -8.674 -1.898 8.809 128 2HG1 ILE 19 HG11 ILE 19 -9.172 -0.957 7.403 129 1HG2 ILE 19 HG21 ILE 19 -7.119 -3.927 8.211 130 2HG2 ILE 19 HG23 ILE 19 -8.790 -4.357 8.575 131 3HG2 ILE 19 HG22 ILE 19 -7.996 -5.029 7.150 132 1HD1 ILE 19 HD11 ILE 19 -11.041 -2.891 7.303 133 2HD1 ILE 19 HD13 ILE 19 -10.735 -2.890 9.040 134 3HD1 ILE 19 HD12 ILE 19 -11.262 -1.411 8.237 135 H THR 20 HN THR 20 -7.769 -3.648 4.113 136 HA THR 20 HA THR 20 -5.775 -5.720 4.522 137 HB THR 20 HB THR 20 -7.812 -4.856 2.501 138 HG1 THR 20 HG1 THR 20 -8.129 -7.286 2.864 139 1HG2 THR 20 HG23 THR 20 -5.378 -6.440 1.945 140 2HG2 THR 20 HG22 THR 20 -6.893 -7.108 1.336 141 3HG2 THR 20 HG21 THR 20 -6.381 -5.491 0.851 142 H VAL 21 HN VAL 21 -6.121 -2.824 2.472 143 HA VAL 21 HA VAL 21 -3.719 -3.177 0.985 144 HB VAL 21 HB VAL 21 -5.247 -0.704 1.856 145 1HG1 VAL 21 HG13 VAL 21 -2.919 -0.218 1.100 146 2HG1 VAL 21 HG12 VAL 21 -3.272 -1.038 -0.421 147 3HG1 VAL 21 HG11 VAL 21 -4.138 0.438 0.007 148 1HG2 VAL 21 HG21 VAL 21 -5.983 -2.811 0.164 149 2HG2 VAL 21 HG23 VAL 21 -6.740 -1.221 0.245 150 3HG2 VAL 21 HG22 VAL 21 -5.460 -1.529 -0.929 151 H LYS 22 HN LYS 22 -4.415 -1.417 4.003 152 HA LYS 22 HA LYS 22 -1.855 -0.334 4.498 153 1HB LYS 22 HB2 LYS 22 -4.092 -0.078 5.738 154 2HB LYS 22 HB1 LYS 22 -3.674 -1.573 6.577 155 1HG LYS 22 HG2 LYS 22 -1.569 -0.547 7.359 156 2HG LYS 22 HG1 LYS 22 -1.992 0.951 6.526 157 1HD LYS 22 HD2 LYS 22 -4.173 0.875 7.915 158 2HD LYS 22 HD1 LYS 22 -3.332 -0.307 8.918 159 1HE LYS 22 HE2 LYS 22 -1.401 1.512 8.898 160 2HE LYS 22 HE1 LYS 22 -2.750 2.613 8.550 161 1HZ LYS 22 HZ1 LYS 22 -2.883 0.572 10.693 162 2HZ LYS 22 HZ3 LYS 22 -2.299 2.138 10.983 163 3HZ LYS 22 HZ2 LYS 22 -3.899 1.914 10.457 164 H LYS 23 HN LYS 23 -3.143 -3.458 5.711 165 HA LYS 23 HA LYS 23 -0.535 -4.328 6.653 166 1HB LYS 23 HB2 LYS 23 -1.749 -6.290 7.315 167 2HB LYS 23 HB1 LYS 23 -2.844 -4.925 7.537 168 1HG LYS 23 HG2 LYS 23 -4.308 -6.101 6.274 169 2HG LYS 23 HG1 LYS 23 -3.292 -5.648 4.906 170 1HD LYS 23 HD2 LYS 23 -2.763 -7.808 4.587 171 2HD LYS 23 HD1 LYS 23 -2.055 -7.867 6.202 172 1HE LYS 23 HE2 LYS 23 -4.095 -8.593 7.191 173 2HE LYS 23 HE1 LYS 23 -5.040 -8.139 5.759 174 1HZ LYS 23 HZ2 LYS 23 -2.801 -9.985 5.391 175 2HZ LYS 23 HZ1 LYS 23 -4.206 -10.602 6.119 176 3HZ LYS 23 HZ3 LYS 23 -4.288 -9.911 4.572 177 H ALA 24 HN ALA 24 -1.699 -4.091 3.515 178 HA ALA 24 HA ALA 24 -0.710 -6.640 2.521 179 1HB ALA 24 HB1 ALA 24 -2.135 -4.256 1.590 180 2HB ALA 24 HB3 ALA 24 -0.989 -4.869 0.399 181 3HB ALA 24 HB2 ALA 24 -2.262 -5.919 1.019 182 H LEU 25 HN LEU 25 0.165 -3.316 1.818 183 HA LEU 25 HA LEU 25 2.809 -3.972 0.862 184 1HB LEU 25 HB2 LEU 25 2.914 -1.296 1.697 185 2HB LEU 25 HB1 LEU 25 2.584 -1.865 0.074 186 HG LEU 25 HG LEU 25 0.904 -0.267 0.810 187 1HD1 LEU 25 HD12 LEU 25 0.307 -2.980 -0.014 188 2HD1 LEU 25 HD11 LEU 25 -1.056 -2.192 0.766 189 3HD1 LEU 25 HD13 LEU 25 -0.300 -1.451 -0.635 190 1HD2 LEU 25 HD21 LEU 25 1.129 -0.775 3.250 191 2HD2 LEU 25 HD23 LEU 25 -0.530 -0.610 2.692 192 3HD2 LEU 25 HD22 LEU 25 0.147 -2.204 2.996 193 H SER 26 HN SER 26 1.401 -3.366 3.960 194 HA SER 26 HA SER 26 3.873 -2.795 5.394 195 1HB SER 26 HB2 SER 26 1.875 -2.106 6.447 196 2HB SER 26 HB1 SER 26 1.040 -3.602 6.043 197 HG SER 26 HG SER 26 2.493 -2.978 8.227 198 H LYS 27 HN LYS 27 2.146 -5.660 4.319 199 HA LYS 27 HA LYS 27 3.904 -7.405 5.944 200 1HB LYS 27 HB2 LYS 27 1.381 -7.701 4.343 201 2HB LYS 27 HB1 LYS 27 2.315 -9.134 4.771 202 1HG LYS 27 HG2 LYS 27 0.415 -8.253 6.389 203 2HG LYS 27 HG1 LYS 27 1.923 -8.882 7.049 204 1HD LYS 27 HD2 LYS 27 2.815 -6.639 7.308 205 2HD LYS 27 HD1 LYS 27 1.421 -5.944 6.480 206 1HE LYS 27 HE2 LYS 27 0.806 -5.633 8.721 207 2HE LYS 27 HE1 LYS 27 0.075 -7.220 8.401 208 1HZ LYS 27 HZ2 LYS 27 2.819 -6.783 9.462 209 2HZ LYS 27 HZ1 LYS 27 1.480 -7.250 10.398 210 3HZ LYS 27 HZ3 LYS 27 2.075 -8.287 9.195 211 H VAL 28 HN VAL 28 3.941 -5.946 2.930 212 HA VAL 28 HA VAL 28 4.763 -7.821 1.046 213 HB VAL 28 HB VAL 28 5.535 -5.000 1.738 214 1HG1 VAL 28 HG11 VAL 28 6.777 -6.619 -0.510 215 2HG1 VAL 28 HG13 VAL 28 6.951 -4.877 -0.291 216 3HG1 VAL 28 HG12 VAL 28 7.631 -5.990 0.897 217 1HG2 VAL 28 HG23 VAL 28 3.403 -5.752 0.516 218 2HG2 VAL 28 HG22 VAL 28 4.349 -4.480 -0.256 219 3HG2 VAL 28 HG21 VAL 28 4.455 -6.139 -0.845 220 H GLU 29 HN GLU 29 7.000 -6.077 3.227 221 HA GLU 29 HA GLU 29 8.487 -8.106 4.359 222 1HB GLU 29 HB2 GLU 29 8.808 -7.987 1.446 223 2HB GLU 29 HB1 GLU 29 10.349 -7.910 2.303 224 1HG GLU 29 HG2 GLU 29 8.882 -9.868 3.661 225 2HG GLU 29 HG1 GLU 29 8.557 -10.171 1.953 226 H GLY 30 HN GLY 30 9.838 -5.773 2.021 227 1HA GLY 30 HA2 GLY 30 11.669 -4.675 3.955 228 2HA GLY 30 HA1 GLY 30 11.346 -4.005 2.357 229 H VAL 31 HN VAL 31 8.408 -3.848 2.982 230 HA VAL 31 HA VAL 31 8.032 -1.198 3.639 231 HB VAL 31 HB VAL 31 6.326 -2.975 3.050 232 1HG1 VAL 31 HG11 VAL 31 7.266 -4.202 5.317 233 2HG1 VAL 31 HG13 VAL 31 5.783 -3.456 5.909 234 3HG1 VAL 31 HG12 VAL 31 5.723 -4.576 4.548 235 1HG2 VAL 31 HG23 VAL 31 5.907 -0.576 4.019 236 2HG2 VAL 31 HG22 VAL 31 4.565 -1.718 3.974 237 3HG2 VAL 31 HG21 VAL 31 5.432 -1.438 5.483 238 H SER 32 HN SER 32 8.096 0.058 5.382 239 HA SER 32 HA SER 32 8.904 -1.210 7.977 240 1HB SER 32 HB2 SER 32 10.436 0.370 6.445 241 2HB SER 32 HB1 SER 32 9.551 1.628 7.304 242 HG SER 32 HG SER 32 10.517 1.076 9.114 243 H LYS 33 HN LYS 33 6.639 0.734 6.323 244 HA LYS 33 HA LYS 33 5.057 1.065 8.780 245 1HB LYS 33 HB2 LYS 33 6.345 2.935 9.236 246 2HB LYS 33 HB1 LYS 33 6.695 3.239 7.539 247 1HG LYS 33 HG2 LYS 33 4.438 4.084 7.178 248 2HG LYS 33 HG1 LYS 33 3.988 3.671 8.833 249 1HD LYS 33 HD2 LYS 33 6.216 5.601 8.131 250 2HD LYS 33 HD1 LYS 33 4.568 6.105 8.503 251 1HE LYS 33 HE2 LYS 33 6.082 4.329 10.422 252 2HE LYS 33 HE1 LYS 33 6.287 6.091 10.458 253 1HZ LYS 33 HZ3 LYS 33 3.645 5.899 10.217 254 2HZ LYS 33 HZ2 LYS 33 3.952 4.487 11.112 255 3HZ LYS 33 HZ1 LYS 33 4.433 6.001 11.715 256 H VAL 34 HN VAL 34 2.925 2.125 8.257 257 HA VAL 34 HA VAL 34 2.230 2.452 5.417 258 HB VAL 34 HB VAL 34 1.348 0.100 7.114 259 1HG1 VAL 34 HG11 VAL 34 -0.435 1.461 5.620 260 2HG1 VAL 34 HG13 VAL 34 0.284 0.467 4.356 261 3HG1 VAL 34 HG12 VAL 34 -0.466 -0.293 5.758 262 1HG2 VAL 34 HG22 VAL 34 2.845 0.467 4.519 263 2HG2 VAL 34 HG21 VAL 34 3.324 -0.455 5.944 264 3HG2 VAL 34 HG23 VAL 34 2.041 -1.058 4.895 265 H ASP 35 HN ASP 35 0.170 3.464 5.179 266 HA ASP 35 HA ASP 35 -1.369 4.060 7.663 267 1HB ASP 35 HB2 ASP 35 0.396 5.818 6.174 268 2HB ASP 35 HB1 ASP 35 -1.253 6.444 6.162 269 H VAL 36 HN VAL 36 -3.514 5.163 7.009 270 HA VAL 36 HA VAL 36 -4.473 3.919 4.459 271 HB VAL 36 HB VAL 36 -5.807 4.715 7.060 272 1HG1 VAL 36 HG13 VAL 36 -6.948 3.912 4.397 273 2HG1 VAL 36 HG12 VAL 36 -7.778 3.439 5.880 274 3HG1 VAL 36 HG11 VAL 36 -7.515 5.146 5.522 275 1HG2 VAL 36 HG22 VAL 36 -4.400 2.559 6.800 276 2HG2 VAL 36 HG21 VAL 36 -6.036 2.388 7.436 277 3HG2 VAL 36 HG23 VAL 36 -5.700 1.996 5.749 278 H GLY 37 HN GLY 37 -5.827 5.144 3.077 279 1HA GLY 37 HA2 GLY 37 -6.222 8.021 3.670 280 2HA GLY 37 HA1 GLY 37 -5.308 7.610 2.215 281 H PHE 38 HN PHE 38 -8.307 6.471 3.802 282 HA PHE 38 HA PHE 38 -9.581 5.571 1.425 283 1HB PHE 38 HB2 PHE 38 -10.043 5.574 4.133 284 2HB PHE 38 HB1 PHE 38 -11.289 6.681 3.560 285 HD1 PHE 38 HD1 PHE 38 -9.849 3.791 1.678 286 HD2 PHE 38 HD2 PHE 38 -13.240 5.347 3.813 287 HE1 PHE 38 HE1 PHE 38 -11.215 1.873 0.905 288 HE2 PHE 38 HE2 PHE 38 -14.603 3.425 3.042 289 HZ PHE 38 HZ PHE 38 -13.597 1.689 1.591 290 H GLU 39 HN GLU 39 -9.205 8.802 2.727 291 HA GLU 39 HA GLU 39 -11.372 10.181 1.589 292 1HB GLU 39 HB2 GLU 39 -9.024 10.788 2.877 293 2HB GLU 39 HB1 GLU 39 -8.709 11.429 1.264 294 1HG GLU 39 HG2 GLU 39 -10.083 13.173 1.626 295 2HG GLU 39 HG1 GLU 39 -11.399 12.095 2.092 296 H LYS 40 HN LYS 40 -8.710 8.584 0.037 297 HA LYS 40 HA LYS 40 -9.797 9.351 -2.626 298 1HB LYS 40 HB2 LYS 40 -7.244 10.094 -1.382 299 2HB LYS 40 HB1 LYS 40 -7.047 9.346 -2.968 300 1HG LYS 40 HG2 LYS 40 -8.873 10.951 -3.781 301 2HG LYS 40 HG1 LYS 40 -8.638 11.815 -2.261 302 1HD LYS 40 HD2 LYS 40 -6.120 11.799 -2.885 303 2HD LYS 40 HD1 LYS 40 -6.676 11.409 -4.513 304 1HE LYS 40 HE2 LYS 40 -7.963 13.448 -4.649 305 2HE LYS 40 HE1 LYS 40 -7.685 13.797 -2.931 306 1HZ LYS 40 HZ2 LYS 40 -5.192 13.405 -3.770 307 2HZ LYS 40 HZ1 LYS 40 -5.868 14.054 -5.187 308 3HZ LYS 40 HZ3 LYS 40 -5.927 14.936 -3.740 309 H ARG 41 HN ARG 41 -10.049 6.875 -1.159 310 HA ARG 41 HA ARG 41 -9.511 4.570 -1.274 311 1HB ARG 41 HB2 ARG 41 -10.798 5.535 -3.376 312 2HB ARG 41 HB1 ARG 41 -9.313 5.063 -4.209 313 1HG ARG 41 HG2 ARG 41 -9.856 2.889 -4.086 314 2HG ARG 41 HG1 ARG 41 -10.138 3.011 -2.348 315 1HD ARG 41 HD2 ARG 41 -12.249 2.400 -3.249 316 2HD ARG 41 HD1 ARG 41 -12.370 4.151 -2.994 317 HE ARG 41 HE ARG 41 -11.252 3.810 -5.559 318 1HH1 ARG 41 HH21 ARG 41 -14.154 2.992 -3.882 319 2HH1 ARG 41 HH22 ARG 41 -15.126 2.966 -5.313 320 1HH2 ARG 41 HH11 ARG 41 -12.508 3.785 -7.429 321 2HH2 ARG 41 HH12 ARG 41 -14.196 3.414 -7.319 322 H GLU 42 HN GLU 42 -7.192 5.526 -0.522 323 HA GLU 42 HA GLU 42 -5.240 4.071 -2.210 324 1HB GLU 42 HB2 GLU 42 -3.759 6.111 -2.222 325 2HB GLU 42 HB1 GLU 42 -5.255 6.315 -3.135 326 1HG GLU 42 HG2 GLU 42 -5.886 8.022 -1.813 327 2HG GLU 42 HG1 GLU 42 -5.701 7.019 -0.374 328 H ALA 43 HN ALA 43 -3.036 3.984 -1.093 329 HA ALA 43 HA ALA 43 -3.312 4.224 1.889 330 1HB ALA 43 HB3 ALA 43 -2.227 1.943 0.197 331 2HB ALA 43 HB2 ALA 43 -2.057 2.029 1.951 332 3HB ALA 43 HB1 ALA 43 -3.659 1.904 1.225 333 H VAL 44 HN VAL 44 -1.450 5.084 2.881 334 HA VAL 44 HA VAL 44 0.787 5.809 1.021 335 HB VAL 44 HB VAL 44 -0.581 7.572 2.185 336 1HG1 VAL 44 HG11 VAL 44 -0.480 5.924 4.334 337 2HG1 VAL 44 HG13 VAL 44 0.832 7.033 4.735 338 3HG1 VAL 44 HG12 VAL 44 -0.795 7.655 4.456 339 1HG2 VAL 44 HG22 VAL 44 2.361 7.247 2.361 340 2HG2 VAL 44 HG21 VAL 44 1.415 8.557 1.655 341 3HG2 VAL 44 HG23 VAL 44 1.675 8.498 3.398 342 H VAL 45 HN VAL 45 2.378 4.281 1.193 343 HA VAL 45 HA VAL 45 3.015 3.180 3.893 344 HB VAL 45 HB VAL 45 3.398 2.255 1.046 345 1HG1 VAL 45 HG12 VAL 45 4.581 1.240 3.619 346 2HG1 VAL 45 HG11 VAL 45 4.220 0.120 2.308 347 3HG1 VAL 45 HG13 VAL 45 5.357 1.443 2.050 348 1HG2 VAL 45 HG23 VAL 45 1.622 1.575 3.349 349 2HG2 VAL 45 HG22 VAL 45 1.246 1.660 1.627 350 3HG2 VAL 45 HG21 VAL 45 2.127 0.280 2.270 351 H THR 46 HN THR 46 5.199 2.813 4.416 352 HA THR 46 HA THR 46 7.254 4.504 3.049 353 HB THR 46 HB THR 46 6.462 4.077 5.925 354 HG1 THR 46 HG1 THR 46 6.585 6.267 5.952 355 1HG2 THR 46 HG22 THR 46 9.229 4.334 4.863 356 2HG2 THR 46 HG21 THR 46 8.824 5.318 6.270 357 3HG2 THR 46 HG23 THR 46 8.657 3.564 6.343 358 H PHE 47 HN PHE 47 9.397 3.351 2.957 359 HA PHE 47 HA PHE 47 9.613 0.768 4.255 360 1HB PHE 47 HB2 PHE 47 9.368 -0.596 2.228 361 2HB PHE 47 HB1 PHE 47 7.894 0.316 2.553 362 HD1 PHE 47 HD2 PHE 47 11.035 0.325 0.495 363 HD2 PHE 47 HD1 PHE 47 7.068 1.901 1.032 364 HE1 PHE 47 HE2 PHE 47 11.161 1.383 -1.729 365 HE2 PHE 47 HE1 PHE 47 7.190 2.957 -1.205 366 HZ PHE 47 HZ PHE 47 9.222 2.696 -2.587 367 H ASP 48 HN ASP 48 11.295 -0.620 2.969 368 HA ASP 48 HA ASP 48 13.606 1.181 2.450 369 1HB ASP 48 HB2 ASP 48 13.281 -0.895 4.204 370 2HB ASP 48 HB1 ASP 48 13.980 -1.736 2.819 371 H ASP 49 HN ASP 49 13.889 1.476 0.307 372 HA ASP 49 HA ASP 49 12.672 -0.098 -1.730 373 1HB ASP 49 HB2 ASP 49 13.564 2.282 -1.764 374 2HB ASP 49 HB1 ASP 49 15.172 1.584 -1.968 375 H THR 50 HN THR 50 15.303 -0.913 0.223 376 HA THR 50 HA THR 50 16.819 -2.426 -1.786 377 HB THR 50 HB THR 50 18.161 -3.034 0.196 378 HG1 THR 50 HG1 THR 50 17.425 -2.683 2.179 379 1HG2 THR 50 HG21 THR 50 18.006 -0.608 -0.928 380 2HG2 THR 50 HG23 THR 50 17.495 -0.176 0.704 381 3HG2 THR 50 HG22 THR 50 19.065 -0.936 0.444 382 H LYS 51 HN LYS 51 14.229 -3.078 0.512 383 HA LYS 51 HA LYS 51 14.453 -5.995 -0.150 384 1HB LYS 51 HB2 LYS 51 13.440 -4.485 2.267 385 2HB LYS 51 HB1 LYS 51 13.151 -6.209 2.038 386 1HG LYS 51 HG2 LYS 51 15.945 -5.505 1.580 387 2HG LYS 51 HG1 LYS 51 15.412 -5.071 3.205 388 1HD LYS 51 HD2 LYS 51 14.578 -7.744 2.188 389 2HD LYS 51 HD1 LYS 51 16.282 -7.542 2.599 390 1HE LYS 51 HE2 LYS 51 15.837 -7.498 4.830 391 2HE LYS 51 HE1 LYS 51 14.467 -6.390 4.609 392 1HZ LYS 51 HZ2 LYS 51 14.123 -9.056 3.514 393 2HZ LYS 51 HZ1 LYS 51 14.174 -8.975 5.211 394 3HZ LYS 51 HZ3 LYS 51 13.018 -8.077 4.354 395 H ALA 52 HN ALA 52 12.612 -3.225 -0.698 396 HA ALA 52 HA ALA 52 10.585 -4.582 -2.197 397 1HB ALA 52 HB2 ALA 52 10.077 -3.946 0.701 398 2HB ALA 52 HB1 ALA 52 8.737 -3.939 -0.445 399 3HB ALA 52 HB3 ALA 52 9.676 -5.410 -0.196 400 H SER 53 HN SER 53 8.576 -2.916 -2.431 401 HA SER 53 HA SER 53 8.871 -0.160 -1.898 402 1HB SER 53 HB2 SER 53 9.742 0.373 -4.339 403 2HB SER 53 HB1 SER 53 10.889 -0.018 -3.061 404 HG SER 53 HG SER 53 10.987 -1.203 -5.181 405 H VAL 54 HN VAL 54 7.832 1.124 -4.007 406 HA VAL 54 HA VAL 54 5.151 0.686 -4.163 407 HB VAL 54 HB VAL 54 7.182 1.544 -6.215 408 1HG1 VAL 54 HG13 VAL 54 4.176 1.384 -6.556 409 2HG1 VAL 54 HG12 VAL 54 5.212 2.406 -7.551 410 3HG1 VAL 54 HG11 VAL 54 5.410 0.655 -7.582 411 1HG2 VAL 54 HG21 VAL 54 5.152 2.854 -4.408 412 2HG2 VAL 54 HG23 VAL 54 6.886 3.155 -4.516 413 3HG2 VAL 54 HG22 VAL 54 5.813 3.714 -5.799 414 H GLN 55 HN GLN 55 7.567 -1.121 -6.054 415 HA GLN 55 HA GLN 55 5.850 -2.560 -7.773 416 1HB GLN 55 HB2 GLN 55 8.302 -2.528 -7.893 417 2HB GLN 55 HB1 GLN 55 8.405 -3.388 -6.357 418 1HG GLN 55 HG2 GLN 55 8.451 -5.272 -7.613 419 2HG GLN 55 HG1 GLN 55 6.721 -5.005 -7.832 420 1HE2 GLN 55 HE22 GLN 55 7.074 -3.773 -11.180 421 2HE2 GLN 55 HE21 GLN 55 6.073 -3.729 -9.810 422 H LYS 56 HN LYS 56 7.049 -3.565 -4.542 423 HA LYS 56 HA LYS 56 5.247 -5.869 -4.491 424 1HB LYS 56 HB2 LYS 56 7.103 -4.617 -2.446 425 2HB LYS 56 HB1 LYS 56 6.325 -6.191 -2.269 426 1HG LYS 56 HG2 LYS 56 8.151 -5.445 -4.570 427 2HG LYS 56 HG1 LYS 56 8.670 -6.345 -3.144 428 1HD LYS 56 HD2 LYS 56 6.951 -8.076 -3.647 429 2HD LYS 56 HD1 LYS 56 6.527 -7.195 -5.115 430 1HE LYS 56 HE2 LYS 56 8.141 -8.414 -6.156 431 2HE LYS 56 HE1 LYS 56 9.321 -7.456 -5.238 432 1HZ LYS 56 HZ2 LYS 56 7.928 -9.695 -3.930 433 2HZ LYS 56 HZ1 LYS 56 9.258 -10.022 -4.935 434 3HZ LYS 56 HZ3 LYS 56 9.449 -9.024 -3.577 435 H LEU 57 HN LEU 57 4.976 -2.534 -3.438 436 HA LEU 57 HA LEU 57 3.062 -3.077 -1.306 437 1HB LEU 57 HB2 LEU 57 3.477 -0.561 -2.956 438 2HB LEU 57 HB1 LEU 57 2.775 -0.664 -1.344 439 HG LEU 57 HG LEU 57 5.614 -1.492 -1.987 440 1HD1 LEU 57 HD11 LEU 57 4.386 1.134 -1.513 441 2HD1 LEU 57 HD13 LEU 57 5.721 0.777 -0.417 442 3HD1 LEU 57 HD12 LEU 57 5.978 0.740 -2.161 443 1HD2 LEU 57 HD23 LEU 57 4.359 -2.439 0.060 444 2HD2 LEU 57 HD22 LEU 57 5.903 -1.646 0.375 445 3HD2 LEU 57 HD21 LEU 57 4.393 -0.793 0.691 446 H THR 58 HN THR 58 2.775 -1.777 -4.628 447 HA THR 58 HA THR 58 -0.072 -1.827 -4.777 448 HB THR 58 HB THR 58 2.203 -2.006 -6.762 449 HG1 THR 58 HG1 THR 58 1.180 0.089 -7.271 450 1HG2 THR 58 HG23 THR 58 0.253 -3.220 -7.696 451 2HG2 THR 58 HG22 THR 58 -0.751 -1.800 -7.405 452 3HG2 THR 58 HG21 THR 58 0.573 -1.721 -8.567 453 H LYS 59 HN LYS 59 2.394 -4.314 -5.381 454 HA LYS 59 HA LYS 59 0.561 -6.251 -6.460 455 1HB LYS 59 HB2 LYS 59 3.339 -5.900 -6.067 456 2HB LYS 59 HB1 LYS 59 2.905 -7.390 -5.230 457 1HG LYS 59 HG2 LYS 59 1.476 -7.509 -7.628 458 2HG LYS 59 HG1 LYS 59 3.052 -6.866 -8.090 459 1HD LYS 59 HD2 LYS 59 4.199 -8.751 -7.296 460 2HD LYS 59 HD1 LYS 59 2.867 -9.238 -6.247 461 1HE LYS 59 HE2 LYS 59 1.526 -9.515 -8.481 462 2HE LYS 59 HE1 LYS 59 3.135 -9.579 -9.228 463 1HZ LYS 59 HZ1 LYS 59 2.352 -11.192 -6.863 464 2HZ LYS 59 HZ3 LYS 59 2.290 -11.777 -8.453 465 3HZ LYS 59 HZ2 LYS 59 3.780 -11.327 -7.772 466 H ALA 60 HN ALA 60 1.629 -5.392 -3.204 467 HA ALA 60 HA ALA 60 0.709 -7.802 -1.943 468 1HB ALA 60 HB3 ALA 60 1.397 -4.998 -1.085 469 2HB ALA 60 HB2 ALA 60 0.790 -6.176 0.078 470 3HB ALA 60 HB1 ALA 60 2.293 -6.488 -0.786 471 H THR 61 HN THR 61 -0.752 -4.585 -2.454 472 HA THR 61 HA THR 61 -3.247 -5.284 -1.145 473 HB THR 61 HB THR 61 -2.511 -2.971 -1.318 474 HG1 THR 61 HG1 THR 61 -4.793 -3.501 -1.636 475 1HG2 THR 61 HG21 THR 61 -2.288 -3.677 -4.230 476 2HG2 THR 61 HG23 THR 61 -2.526 -1.999 -3.745 477 3HG2 THR 61 HG22 THR 61 -1.107 -2.885 -3.188 478 H ALA 62 HN ALA 62 -1.877 -5.502 -4.315 479 HA ALA 62 HA ALA 62 -4.302 -6.036 -5.785 480 1HB ALA 62 HB1 ALA 62 -1.357 -6.150 -6.148 481 2HB ALA 62 HB3 ALA 62 -2.290 -7.211 -7.204 482 3HB ALA 62 HB2 ALA 62 -2.589 -5.473 -7.213 483 H ASP 63 HN ASP 63 -2.026 -7.956 -3.910 484 HA ASP 63 HA ASP 63 -3.288 -10.500 -4.740 485 1HB ASP 63 HB2 ASP 63 -0.822 -9.548 -3.449 486 2HB ASP 63 HB1 ASP 63 -1.484 -10.993 -2.685 487 H ALA 64 HN ALA 64 -3.737 -8.063 -2.416 488 HA ALA 64 HA ALA 64 -4.754 -9.778 -0.264 489 1HB ALA 64 HB2 ALA 64 -3.749 -7.226 -0.491 490 2HB ALA 64 HB1 ALA 64 -5.481 -6.916 -0.379 491 3HB ALA 64 HB3 ALA 64 -4.661 -7.811 0.900 492 H GLY 65 HN GLY 65 -5.967 -8.013 -3.043 493 1HA GLY 65 HA2 GLY 65 -8.157 -9.280 -3.775 494 2HA GLY 65 HA1 GLY 65 -8.758 -8.645 -2.249 495 H TYR 66 HN TYR 66 -6.548 -6.637 -4.137 496 HA TYR 66 HA TYR 66 -8.876 -5.162 -5.270 497 1HB TYR 66 HB2 TYR 66 -6.737 -3.933 -3.514 498 2HB TYR 66 HB1 TYR 66 -8.118 -3.097 -4.215 499 HD1 TYR 66 HD1 TYR 66 -10.455 -4.194 -3.663 500 HD2 TYR 66 HD2 TYR 66 -6.865 -4.674 -1.382 501 HE1 TYR 66 HE1 TYR 66 -11.806 -4.735 -1.668 502 HE2 TYR 66 HE2 TYR 66 -8.201 -5.209 0.618 503 HH TYR 66 HH TYR 66 -10.482 -6.119 1.125 504 HA PRO 67 HA PRO 67 -5.687 -5.121 -8.518 505 1HB PRO 67 HB2 PRO 67 -7.576 -3.497 -10.009 506 2HB PRO 67 HB1 PRO 67 -7.087 -5.165 -10.327 507 1HG PRO 67 HG2 PRO 67 -9.601 -4.258 -9.315 508 2HG PRO 67 HG1 PRO 67 -9.076 -5.928 -9.552 509 1HD PRO 67 HD2 PRO 67 -9.464 -4.532 -7.052 510 2HD PRO 67 HD1 PRO 67 -8.933 -6.215 -7.293 511 H SER 68 HN SER 68 -4.385 -3.666 -7.191 512 HA SER 68 HA SER 68 -5.203 -0.804 -7.241 513 1HB SER 68 HB2 SER 68 -3.277 -2.391 -5.531 514 2HB SER 68 HB1 SER 68 -3.653 -0.686 -5.298 515 HG SER 68 HG SER 68 -4.942 -2.720 -4.323 516 H SER 69 HN SER 69 -2.934 0.505 -6.774 517 HA SER 69 HA SER 69 -0.757 -0.216 -8.607 518 1HB SER 69 HB2 SER 69 -2.948 1.738 -9.207 519 2HB SER 69 HB1 SER 69 -1.317 2.143 -9.731 520 HG SER 69 HG SER 69 -3.002 0.046 -10.510 521 H VAL 70 HN VAL 70 0.266 2.416 -8.816 522 HA VAL 70 HA VAL 70 0.433 3.327 -5.987 523 HB VAL 70 HB VAL 70 2.136 1.608 -6.843 524 1HG1 VAL 70 HG13 VAL 70 2.383 3.414 -8.909 525 2HG1 VAL 70 HG12 VAL 70 3.786 3.799 -7.912 526 3HG1 VAL 70 HG11 VAL 70 3.561 2.160 -8.523 527 1HG2 VAL 70 HG22 VAL 70 2.381 3.894 -5.128 528 2HG2 VAL 70 HG21 VAL 70 3.212 2.344 -4.999 529 3HG2 VAL 70 HG23 VAL 70 3.924 3.651 -5.946 530 H LYS 71 HN LYS 71 1.391 5.525 -5.781 531 HA LYS 71 HA LYS 71 1.077 7.086 -8.332 532 1HB LYS 71 HB2 LYS 71 0.591 8.331 -5.661 533 2HB LYS 71 HB1 LYS 71 -0.194 8.663 -7.200 534 1HG LYS 71 HG2 LYS 71 -0.929 6.061 -6.781 535 2HG LYS 71 HG1 LYS 71 -0.893 6.687 -5.130 536 1HD LYS 71 HD2 LYS 71 -2.329 8.559 -5.798 537 2HD LYS 71 HD1 LYS 71 -2.349 7.959 -7.456 538 1HE LYS 71 HE2 LYS 71 -3.114 5.735 -5.951 539 2HE LYS 71 HE1 LYS 71 -3.959 7.091 -5.177 540 1HZ LYS 71 HZ3 LYS 71 -3.859 6.675 -8.115 541 2HZ LYS 71 HZ2 LYS 71 -5.146 6.149 -7.138 542 3HZ LYS 71 HZ1 LYS 71 -4.798 7.806 -7.271 543 H GLN 72 HN GLN 72 3.373 5.912 -6.921 544 HA GLN 72 HA GLN 72 5.144 7.504 -5.562 545 1HB GLN 72 HB2 GLN 72 5.383 5.221 -6.839 546 2HB GLN 72 HB1 GLN 72 6.018 6.224 -8.144 547 1HG GLN 72 HG2 GLN 72 7.715 7.153 -6.627 548 2HG GLN 72 HG1 GLN 72 7.072 6.185 -5.300 549 1HE2 GLN 72 HE22 GLN 72 9.102 4.252 -8.318 550 2HE2 GLN 72 HE21 GLN 72 8.328 5.725 -8.656 No H/Q in entry = 550 No H/Q in entry = 550
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