NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
648183 | 6o8s | 30588 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT1 ALA 1 45.807 3.360 12.766 2 H2 ALA 1 HT2 ALA 1 46.339 2.745 14.258 3 H3 ALA 1 HT3 ALA 1 47.421 2.875 12.954 4 HA ALA 1 HA ALA 1 46.057 5.180 14.176 5 HB1 ALA 1 HB1 ALA 1 48.279 5.591 15.277 6 HB2 ALA 1 HB2 ALA 1 48.768 3.953 14.779 7 HB3 ALA 1 HB3 ALA 1 47.405 4.171 15.903 8 H GLY 2 HN GLY 2 48.154 3.694 11.825 9 HA2 GLY 2 HA1 GLY 2 48.076 5.947 10.090 10 HA3 GLY 2 HA2 GLY 2 49.613 5.986 10.976 11 H LYS 3 HN LYS 3 48.597 2.810 10.767 12 HA LYS 3 HA LYS 3 50.741 2.028 9.061 13 HB2 LYS 3 HB2 LYS 3 49.553 0.546 10.698 14 HB3 LYS 3 HB1 LYS 3 48.157 0.510 9.596 15 HG2 LYS 3 HG2 LYS 3 49.460 -0.545 7.853 16 HG3 LYS 3 HG1 LYS 3 50.971 -0.310 8.764 17 HD2 LYS 3 HD2 LYS 3 50.156 -1.811 10.542 18 HD3 LYS 3 HD1 LYS 3 48.617 -2.024 9.673 19 HE2 LYS 3 HE2 LYS 3 49.851 -2.983 7.741 20 HE3 LYS 3 HE1 LYS 3 51.379 -2.800 8.635 21 HZ1 LYS 3 HZ1 LYS 3 49.355 -4.150 10.156 22 HZ2 LYS 3 HZ2 LYS 3 50.956 -4.613 9.829 23 HZ3 LYS 3 HZ3 LYS 3 49.721 -4.966 8.716 24 H GLU 4 HN GLU 4 47.361 2.852 8.406 25 HA GLU 4 HA GLU 4 47.966 3.294 5.598 26 HB2 GLU 4 HB2 GLU 4 47.689 0.735 5.804 27 HB3 GLU 4 HB1 GLU 4 45.977 1.061 6.151 28 HG2 GLU 4 HG2 GLU 4 46.120 0.683 3.780 29 HG3 GLU 4 HG1 GLU 4 45.927 2.440 3.992 30 H LYS 5 HN LYS 5 47.127 5.108 7.316 31 HA LYS 5 HA LYS 5 44.297 5.600 6.468 32 HB2 LYS 5 HB2 LYS 5 45.321 5.852 9.329 33 HB3 LYS 5 HB1 LYS 5 43.722 6.377 8.747 34 HG2 LYS 5 HG2 LYS 5 43.272 4.014 8.012 35 HG3 LYS 5 HG1 LYS 5 44.814 3.530 8.756 36 HD2 LYS 5 HD2 LYS 5 44.013 4.413 10.947 37 HD3 LYS 5 HD1 LYS 5 42.452 4.818 10.191 38 HE2 LYS 5 HE2 LYS 5 43.647 2.015 10.214 39 HE3 LYS 5 HE1 LYS 5 42.469 2.599 11.414 40 HZ1 LYS 5 HZ1 LYS 5 42.048 1.752 8.709 41 HZ2 LYS 5 HZ2 LYS 5 41.378 3.286 9.005 42 HZ3 LYS 5 HZ3 LYS 5 40.926 1.958 9.965 43 H ILE 6 HN ILE 6 47.491 6.627 7.359 44 HA ILE 6 HA ILE 6 47.194 9.124 5.975 45 HB ILE 6 HB ILE 6 45.946 9.911 7.896 46 HG12 ILE 6 HG12 ILE 6 48.813 10.920 8.211 47 HG13 ILE 6 HG11 ILE 6 47.727 11.405 6.889 48 HG21 ILE 6 HG21 ILE 6 48.241 9.281 9.786 49 HG22 ILE 6 HG22 ILE 6 46.996 8.061 9.439 50 HG23 ILE 6 HG23 ILE 6 46.536 9.619 10.156 51 HD11 ILE 6 HD1 ILE 6 47.304 11.842 9.875 52 HD12 ILE 6 HD2 ILE 6 46.056 12.149 8.642 53 HD13 ILE 6 HD3 ILE 6 47.571 13.085 8.630 54 H ARG 7 HN ARG 7 48.997 8.413 4.915 55 HA ARG 7 HA ARG 7 51.547 9.229 5.956 56 HB2 ARG 7 HB2 ARG 7 51.335 7.182 7.434 57 HB3 ARG 7 HB1 ARG 7 51.152 6.193 5.968 58 HG2 ARG 7 HG2 ARG 7 53.364 6.765 5.202 59 HG3 ARG 7 HG1 ARG 7 53.537 8.023 6.449 60 HD2 ARG 7 HD2 ARG 7 53.433 6.288 8.216 61 HD3 ARG 7 HD1 ARG 7 53.267 5.029 6.969 62 HE ARG 7 HE ARG 7 55.636 6.670 6.558 63 HH11 ARG 7 HH11 ARG 7 57.090 4.801 6.010 64 HH12 ARG 7 HH12 ARG 7 57.360 3.691 7.312 65 HH21 ARG 7 HH21 ARG 7 54.756 4.914 9.247 66 HH22 ARG 7 HH22 ARG 7 56.038 3.755 9.143 67 H LYS 8 HN LYS 8 49.285 7.797 4.124 68 HA LYS 8 HA LYS 8 50.123 8.614 1.652 69 HB2 LYS 8 HB2 LYS 8 50.365 6.092 0.740 70 HB3 LYS 8 HB1 LYS 8 51.786 7.054 1.202 71 HG2 LYS 8 HG2 LYS 8 52.150 5.868 3.185 72 HG3 LYS 8 HG1 LYS 8 50.439 5.435 3.379 73 HD2 LYS 8 HD2 LYS 8 50.596 3.769 1.617 74 HD3 LYS 8 HD1 LYS 8 52.243 4.300 1.200 75 HE2 LYS 8 HE2 LYS 8 53.018 3.643 3.471 76 HE3 LYS 8 HE1 LYS 8 51.375 3.077 3.857 77 HZ1 LYS 8 HZ1 LYS 8 51.540 1.333 2.383 78 HZ2 LYS 8 HZ2 LYS 8 53.132 1.413 2.973 79 HZ3 LYS 8 HZ3 LYS 8 52.752 2.067 1.451 80 H LYS 9 HN LYS 9 48.750 5.492 2.910 81 HA LYS 9 HA LYS 9 46.556 4.711 2.698 82 HB2 LYS 9 HB2 LYS 9 46.213 7.056 3.818 83 HB3 LYS 9 HB1 LYS 9 45.645 7.545 2.212 84 HG2 LYS 9 HG2 LYS 9 44.031 5.584 2.276 85 HG3 LYS 9 HG1 LYS 9 44.502 5.337 3.975 86 HD2 LYS 9 HD2 LYS 9 43.757 7.607 4.545 87 HD3 LYS 9 HD1 LYS 9 43.362 7.928 2.839 88 HE2 LYS 9 HE2 LYS 9 42.068 5.829 4.635 89 HE3 LYS 9 HE1 LYS 9 41.314 7.330 4.047 90 HZ1 LYS 9 HZ1 LYS 9 42.131 6.238 1.755 91 HZ2 LYS 9 HZ2 LYS 9 40.590 5.977 2.420 92 HZ3 LYS 9 HZ3 LYS 9 41.823 4.830 2.648 93 H LEU 10 HN LEU 10 48.383 6.056 0.577 94 HA LEU 10 HA LEU 10 48.590 5.619 -1.710 95 HB2 LEU 10 HB2 LEU 10 46.401 4.132 -1.467 96 HB3 LEU 10 HB1 LEU 10 45.570 5.588 -2.058 97 HG LEU 10 HG LEU 10 47.474 5.531 -3.946 98 HD11 LEU 10 HD11 LEU 10 48.178 3.272 -4.536 99 HD12 LEU 10 HD12 LEU 10 47.235 2.582 -3.193 100 HD13 LEU 10 HD13 LEU 10 48.664 3.583 -2.854 101 HD21 LEU 10 HD21 LEU 10 45.102 3.608 -3.887 102 HD22 LEU 10 HD22 LEU 10 45.967 4.129 -5.353 103 HD23 LEU 10 HD23 LEU 10 45.057 5.315 -4.388 104 H LYS 11 HN LYS 11 48.519 8.025 -0.061 105 HA LYS 11 HA LYS 11 48.734 10.179 -1.617 106 HB2 LYS 11 HB2 LYS 11 46.459 11.248 -1.947 107 HB3 LYS 11 HB1 LYS 11 46.661 9.835 -2.985 108 HG2 LYS 11 HG2 LYS 11 44.732 8.963 -2.100 109 HG3 LYS 11 HG1 LYS 11 45.558 8.808 -0.537 110 HD2 LYS 11 HD2 LYS 11 44.890 11.135 0.038 111 HD3 LYS 11 HD1 LYS 11 44.042 11.268 -1.521 112 HE2 LYS 11 HE2 LYS 11 42.675 9.240 -0.855 113 HE3 LYS 11 HE1 LYS 11 43.415 9.349 0.761 114 HZ1 LYS 11 HZ1 LYS 11 41.168 10.606 0.079 115 HZ2 LYS 11 HZ2 LYS 11 42.297 11.818 -0.302 116 HZ3 LYS 11 HZ3 LYS 11 42.231 11.178 1.270 117 H ASN 12 HN ASN 12 46.299 9.419 1.021 118 HA ASN 12 HA ASN 12 46.300 10.716 3.046 119 HB2 ASN 12 HB2 ASN 12 48.534 9.618 3.243 120 HB3 ASN 12 HB1 ASN 12 49.317 10.879 2.194 121 HD21 ASN 12 HD21 ASN 12 46.882 12.396 4.046 122 HD22 ASN 12 HD22 ASN 12 47.888 12.942 5.392 123 H GLU 13 HN GLU 13 48.790 11.885 1.288 124 HA GLU 13 HA GLU 13 48.617 13.727 -0.356 125 HB2 GLU 13 HB2 GLU 13 47.680 14.960 2.305 126 HB3 GLU 13 HB1 GLU 13 48.734 15.931 1.269 127 HG2 GLU 13 HG2 GLU 13 46.205 14.592 0.226 128 HG3 GLU 13 HG1 GLU 13 46.210 16.235 0.911 129 H ILE 14 HN ILE 14 50.281 11.917 -0.165 130 HA ILE 14 HA ILE 14 52.801 13.325 0.519 131 HB ILE 14 HB ILE 14 51.844 12.998 2.999 132 HG12 ILE 14 HG12 ILE 14 54.658 12.099 2.251 133 HG13 ILE 14 HG11 ILE 14 54.124 13.789 2.409 134 HG21 ILE 14 HG21 ILE 14 51.908 10.920 4.001 135 HG22 ILE 14 HG22 ILE 14 53.234 10.339 2.974 136 HG23 ILE 14 HG23 ILE 14 51.575 10.373 2.345 137 HD11 ILE 14 HD1 ILE 14 55.138 13.257 4.503 138 HD12 ILE 14 HD2 ILE 14 54.328 11.676 4.586 139 HD13 ILE 14 HD3 ILE 14 53.386 13.171 4.801 140 H LYS 15 HN LYS 15 51.401 11.963 -1.192 141 HA LYS 15 HA LYS 15 53.026 9.664 -1.916 142 HB2 LYS 15 HB2 LYS 15 51.563 9.006 -0.134 143 HB3 LYS 15 HB1 LYS 15 50.331 10.102 -0.926 144 HG2 LYS 15 HG2 LYS 15 50.036 7.453 -1.166 145 HG3 LYS 15 HG1 LYS 15 50.002 8.362 -2.694 146 HD2 LYS 15 HD2 LYS 15 52.335 7.750 -3.129 147 HD3 LYS 15 HD1 LYS 15 52.494 7.057 -1.503 148 HE2 LYS 15 HE2 LYS 15 50.441 6.029 -3.497 149 HE3 LYS 15 HE1 LYS 15 52.106 5.403 -3.441 150 HZ1 LYS 15 HZ1 LYS 15 51.812 4.630 -1.270 151 HZ2 LYS 15 HZ2 LYS 15 50.364 4.211 -2.054 152 HZ3 LYS 15 HZ3 LYS 15 50.412 5.553 -1.014 153 H LYS 16 HN LYS 16 50.803 11.916 -2.070 154 HA LYS 16 HA LYS 16 50.135 11.862 -4.993 155 HB2 LYS 16 HB2 LYS 16 48.454 11.054 -3.531 156 HB3 LYS 16 HB1 LYS 16 49.184 12.232 -2.352 157 HG2 LYS 16 HG2 LYS 16 47.085 13.311 -2.914 158 HG3 LYS 16 HG1 LYS 16 48.163 14.040 -4.110 159 HD2 LYS 16 HD2 LYS 16 47.461 12.371 -5.791 160 HD3 LYS 16 HD1 LYS 16 46.399 11.602 -4.587 161 HE2 LYS 16 HE2 LYS 16 45.139 13.735 -4.353 162 HE3 LYS 16 HE1 LYS 16 46.180 14.473 -5.593 163 HZ1 LYS 16 HZ1 LYS 16 45.316 13.116 -7.238 164 HZ2 LYS 16 HZ2 LYS 16 43.942 13.458 -6.298 165 HZ3 LYS 16 HZ3 LYS 16 44.727 11.958 -6.146 166 H LYS 17 HN LYS 17 50.635 12.774 -1.677 167 HA LYS 17 HA LYS 17 51.414 15.626 -2.843 168 HB2 LYS 17 HB2 LYS 17 50.094 15.542 -0.528 169 HB3 LYS 17 HB1 LYS 17 51.718 15.198 0.091 170 HG2 LYS 17 HG2 LYS 17 52.552 17.208 -1.117 171 HG3 LYS 17 HG1 LYS 17 50.873 17.581 -1.573 172 HD2 LYS 17 HD2 LYS 17 50.221 17.817 0.753 173 HD3 LYS 17 HD1 LYS 17 51.808 17.233 1.307 174 HE2 LYS 17 HE2 LYS 17 51.592 19.733 1.406 175 HE3 LYS 17 HE1 LYS 17 52.916 19.188 0.349 176 HZ1 LYS 17 HZ1 LYS 17 50.232 19.639 -0.783 177 HZ2 LYS 17 HZ2 LYS 17 51.750 19.736 -1.538 178 HZ3 LYS 17 HZ3 LYS 17 51.242 20.968 -0.484 179 H TRP 18 HN TRP 18 51.853 12.566 -3.033 180 HA TRP 18 HA TRP 18 54.807 13.233 -3.231 181 HB2 TRP 18 HB2 TRP 18 54.620 12.487 -0.740 182 HB3 TRP 18 HB1 TRP 18 54.557 10.856 -1.409 183 HD1 TRP 18 HD1 TRP 18 56.838 13.823 -0.954 184 HE1 TRP 18 HE1 TRP 18 59.286 13.140 -1.496 185 HE3 TRP 18 HE3 TRP 18 55.979 9.125 -2.812 186 HZ2 TRP 18 HZ2 TRP 18 60.654 10.855 -2.583 187 HZ3 TRP 18 HZ3 TRP 18 57.873 7.712 -3.589 188 HH2 TRP 18 HH2 TRP 18 60.208 8.569 -3.472 189 H ARG 19 HN ARG 19 52.246 12.259 -4.612 190 HA ARG 19 HA ARG 19 53.475 9.920 -5.829 191 HB2 ARG 19 HB2 ARG 19 50.843 9.904 -5.755 192 HB3 ARG 19 HB1 ARG 19 50.994 11.074 -7.057 193 HG2 ARG 19 HG2 ARG 19 52.163 9.451 -8.442 194 HG3 ARG 19 HG1 ARG 19 52.270 8.311 -7.084 195 HD2 ARG 19 HD2 ARG 19 49.851 8.042 -7.046 196 HD3 ARG 19 HD1 ARG 19 49.650 9.319 -8.269 197 HE ARG 19 HE ARG 19 50.228 6.569 -8.839 198 HH11 ARG 19 HH11 ARG 19 52.783 7.186 -9.805 199 HH12 ARG 19 HH12 ARG 19 52.543 7.916 -11.358 200 HH21 ARG 19 HH21 ARG 19 49.196 8.631 -10.798 201 HH22 ARG 19 HH22 ARG 19 50.512 8.732 -11.920 202 H LYS 20 HN LYS 20 54.730 12.124 -5.517 203 HA LYS 20 HA LYS 20 56.232 13.178 -7.230 204 HB2 LYS 20 HB2 LYS 20 53.561 13.519 -8.245 205 HB3 LYS 20 HB1 LYS 20 54.994 14.512 -8.800 206 HG2 LYS 20 HG2 LYS 20 55.224 11.483 -9.080 207 HG3 LYS 20 HG1 LYS 20 54.176 12.321 -10.248 208 HD2 LYS 20 HD2 LYS 20 56.037 13.812 -10.878 209 HD3 LYS 20 HD1 LYS 20 57.087 13.031 -9.672 210 HE2 LYS 20 HE2 LYS 20 55.795 11.668 -12.076 211 HE3 LYS 20 HE1 LYS 20 57.515 12.092 -11.912 212 HZ1 LYS 20 HZ1 LYS 20 57.042 10.700 -9.652 213 HZ2 LYS 20 HZ2 LYS 20 57.693 10.038 -11.076 214 HZ3 LYS 20 HZ3 LYS 20 56.032 9.896 -10.752 215 H ALA 21 HN ALA 21 54.365 13.288 -4.972 216 HA ALA 21 HA ALA 21 53.619 14.993 -4.073 217 HB1 ALA 21 HB1 ALA 21 54.389 17.086 -3.644 218 HB2 ALA 21 HB2 ALA 21 54.532 17.261 -5.391 219 HB3 ALA 21 HB3 ALA 21 55.753 16.348 -4.491 220 H VAL 22 HN VAL 22 52.721 13.167 -5.603 221 HA VAL 22 HA VAL 22 51.570 13.225 -7.543 222 HB VAL 22 HB VAL 22 49.447 13.646 -6.044 223 HG11 VAL 22 HG11 VAL 22 50.046 16.124 -5.758 224 HG12 VAL 22 HG12 VAL 22 48.357 15.759 -6.161 225 HG13 VAL 22 HG13 VAL 22 49.465 16.345 -7.419 226 HG21 VAL 22 HG21 VAL 22 47.976 13.582 -7.864 227 HG22 VAL 22 HG22 VAL 22 49.483 12.927 -8.537 228 HG23 VAL 22 HG23 VAL 22 49.011 14.605 -8.873 229 H ILE 23 HN ILE 23 53.644 15.253 -6.830 230 HA ILE 23 HA ILE 23 53.294 16.377 -9.742 231 HB ILE 23 HB ILE 23 51.753 17.820 -7.921 232 HG12 ILE 23 HG12 ILE 23 52.974 18.802 -10.541 233 HG13 ILE 23 HG11 ILE 23 51.509 17.807 -10.379 234 HG21 ILE 23 HG21 ILE 23 52.717 19.963 -7.511 235 HG22 ILE 23 HG22 ILE 23 54.121 19.622 -8.549 236 HG23 ILE 23 HG23 ILE 23 53.942 18.794 -6.992 237 HD11 ILE 23 HD1 ILE 23 50.644 19.748 -8.834 238 HD12 ILE 23 HD2 ILE 23 50.642 19.995 -10.597 239 HD13 ILE 23 HD3 ILE 23 51.932 20.709 -9.601 240 H ALA 24 HN ALA 24 55.040 16.474 -6.731 241 HA ALA 24 HA ALA 24 57.379 17.026 -8.202 242 HB1 ALA 24 HB1 ALA 24 58.099 18.671 -6.553 243 HB2 ALA 24 HB2 ALA 24 56.553 18.229 -5.759 244 HB3 ALA 24 HB3 ALA 24 56.535 19.114 -7.307 245 H TRP 25 HN TRP 25 55.924 15.493 -6.433 246 HA TRP 25 HA TRP 25 56.638 13.563 -4.927 247 HB2 TRP 25 HB2 TRP 25 58.473 12.377 -5.647 248 HB3 TRP 25 HB1 TRP 25 58.502 13.569 -6.957 249 HD1 TRP 25 HD1 TRP 25 60.036 13.101 -3.425 250 HE1 TRP 25 HE1 TRP 25 62.424 14.127 -3.403 251 HE3 TRP 25 HE3 TRP 25 60.140 15.003 -8.176 252 HZ2 TRP 25 HZ2 TRP 25 64.124 15.570 -5.222 253 HZ3 TRP 25 HZ3 TRP 25 62.157 16.199 -9.012 254 HH2 TRP 25 HH2 TRP 25 64.146 16.484 -7.542 Start of MODEL 2 1 H1 ALA 1 HT1 ALA 1 46.110 1.942 14.670 2 H2 ALA 1 HT2 ALA 1 44.749 2.794 14.118 3 H3 ALA 1 HT3 ALA 1 46.205 3.616 14.421 4 HA ALA 1 HA ALA 1 46.694 1.532 12.630 5 HB1 ALA 1 HB1 ALA 1 44.466 3.451 11.862 6 HB2 ALA 1 HB2 ALA 1 44.309 1.692 12.089 7 HB3 ALA 1 HB3 ALA 1 45.298 2.334 10.756 8 H GLY 2 HN GLY 2 47.236 2.772 10.381 9 HA2 GLY 2 HA1 GLY 2 48.065 5.487 10.515 10 HA3 GLY 2 HA2 GLY 2 49.429 4.474 11.029 11 H LYS 3 HN LYS 3 48.997 2.225 9.397 12 HA LYS 3 HA LYS 3 50.387 2.939 7.064 13 HB2 LYS 3 HB2 LYS 3 48.437 0.622 7.398 14 HB3 LYS 3 HB1 LYS 3 49.738 0.741 6.187 15 HG2 LYS 3 HG2 LYS 3 51.426 0.835 7.984 16 HG3 LYS 3 HG1 LYS 3 50.137 0.765 9.212 17 HD2 LYS 3 HD2 LYS 3 49.399 -1.436 8.163 18 HD3 LYS 3 HD1 LYS 3 50.888 -1.384 7.189 19 HE2 LYS 3 HE2 LYS 3 50.811 -1.267 10.236 20 HE3 LYS 3 HE1 LYS 3 51.143 -2.735 9.288 21 HZ1 LYS 3 HZ1 LYS 3 52.739 -0.488 8.475 22 HZ2 LYS 3 HZ2 LYS 3 53.214 -2.067 8.881 23 HZ3 LYS 3 HZ3 LYS 3 52.991 -0.904 10.099 24 H GLU 4 HN GLU 4 47.089 1.609 6.734 25 HA GLU 4 HA GLU 4 46.636 3.460 4.446 26 HB2 GLU 4 HB2 GLU 4 44.785 1.293 5.508 27 HB3 GLU 4 HB1 GLU 4 44.792 2.037 3.892 28 HG2 GLU 4 HG2 GLU 4 47.001 0.297 5.079 29 HG3 GLU 4 HG1 GLU 4 45.851 -0.187 3.810 30 H LYS 5 HN LYS 5 46.755 5.131 6.367 31 HA LYS 5 HA LYS 5 43.939 5.941 6.843 32 HB2 LYS 5 HB2 LYS 5 45.059 4.519 8.844 33 HB3 LYS 5 HB1 LYS 5 45.790 6.089 9.235 34 HG2 LYS 5 HG2 LYS 5 42.807 5.503 8.933 35 HG3 LYS 5 HG1 LYS 5 43.675 5.805 10.458 36 HD2 LYS 5 HD2 LYS 5 44.367 8.071 9.429 37 HD3 LYS 5 HD1 LYS 5 43.140 7.748 8.179 38 HE2 LYS 5 HE2 LYS 5 41.470 7.383 10.081 39 HE3 LYS 5 HE1 LYS 5 42.710 8.036 11.178 40 HZ1 LYS 5 HZ1 LYS 5 42.225 10.086 10.527 41 HZ2 LYS 5 HZ2 LYS 5 40.909 9.470 9.649 42 HZ3 LYS 5 HZ3 LYS 5 42.412 9.693 8.888 43 H ILE 6 HN ILE 6 47.400 6.587 7.436 44 HA ILE 6 HA ILE 6 47.324 9.055 5.974 45 HB ILE 6 HB ILE 6 46.158 9.973 7.913 46 HG12 ILE 6 HG12 ILE 6 49.102 10.787 8.046 47 HG13 ILE 6 HG11 ILE 6 47.950 11.341 6.806 48 HG21 ILE 6 HG21 ILE 6 48.476 9.276 9.747 49 HG22 ILE 6 HG22 ILE 6 47.166 8.104 9.478 50 HG23 ILE 6 HG23 ILE 6 46.802 9.705 10.159 51 HD11 ILE 6 HD1 ILE 6 48.029 13.038 8.526 52 HD12 ILE 6 HD2 ILE 6 47.812 11.826 9.810 53 HD13 ILE 6 HD3 ILE 6 46.475 12.189 8.692 54 H ARG 7 HN ARG 7 49.040 8.352 4.921 55 HA ARG 7 HA ARG 7 51.663 8.865 5.825 56 HB2 ARG 7 HB2 ARG 7 51.604 7.064 7.451 57 HB3 ARG 7 HB1 ARG 7 50.789 5.973 6.307 58 HG2 ARG 7 HG2 ARG 7 52.767 5.763 4.957 59 HG3 ARG 7 HG1 ARG 7 53.562 7.120 5.788 60 HD2 ARG 7 HD2 ARG 7 53.646 5.820 7.879 61 HD3 ARG 7 HD1 ARG 7 52.790 4.472 7.092 62 HE ARG 7 HE ARG 7 54.857 3.836 6.159 63 HH11 ARG 7 HH11 ARG 7 56.543 4.679 4.696 64 HH12 ARG 7 HH12 ARG 7 57.466 6.014 5.299 65 HH21 ARG 7 HH21 ARG 7 55.324 6.641 7.952 66 HH22 ARG 7 HH22 ARG 7 56.776 7.126 7.143 67 H LYS 8 HN LYS 8 49.183 7.750 4.098 68 HA LYS 8 HA LYS 8 50.068 8.291 1.609 69 HB2 LYS 8 HB2 LYS 8 50.188 5.998 0.585 70 HB3 LYS 8 HB1 LYS 8 51.627 6.520 1.487 71 HG2 LYS 8 HG2 LYS 8 50.333 5.239 3.514 72 HG3 LYS 8 HG1 LYS 8 49.626 4.351 2.146 73 HD2 LYS 8 HD2 LYS 8 51.957 3.909 1.301 74 HD3 LYS 8 HD1 LYS 8 52.588 4.655 2.789 75 HE2 LYS 8 HE2 LYS 8 51.243 2.990 4.121 76 HE3 LYS 8 HE1 LYS 8 50.803 2.192 2.593 77 HZ1 LYS 8 HZ1 LYS 8 53.617 2.661 2.789 78 HZ2 LYS 8 HZ2 LYS 8 52.780 1.212 2.491 79 HZ3 LYS 8 HZ3 LYS 8 53.055 1.726 4.088 80 H LYS 9 HN LYS 9 48.370 5.318 2.816 81 HA LYS 9 HA LYS 9 46.110 4.778 2.483 82 HB2 LYS 9 HB2 LYS 9 45.981 7.073 3.742 83 HB3 LYS 9 HB1 LYS 9 45.518 7.711 2.155 84 HG2 LYS 9 HG2 LYS 9 43.652 6.080 2.031 85 HG3 LYS 9 HG1 LYS 9 44.112 5.436 3.626 86 HD2 LYS 9 HD2 LYS 9 43.736 7.688 4.625 87 HD3 LYS 9 HD1 LYS 9 43.222 8.293 3.031 88 HE2 LYS 9 HE2 LYS 9 41.423 6.538 2.998 89 HE3 LYS 9 HE1 LYS 9 41.891 6.079 4.654 90 HZ1 LYS 9 HZ1 LYS 9 41.009 7.955 5.516 91 HZ2 LYS 9 HZ2 LYS 9 40.036 7.896 4.124 92 HZ3 LYS 9 HZ3 LYS 9 41.395 8.915 4.171 93 H LEU 10 HN LEU 10 48.138 6.050 0.493 94 HA LEU 10 HA LEU 10 48.404 5.873 -1.817 95 HB2 LEU 10 HB2 LEU 10 46.098 4.448 -1.664 96 HB3 LEU 10 HB1 LEU 10 45.415 5.939 -2.347 97 HG LEU 10 HG LEU 10 47.771 4.397 -3.538 98 HD11 LEU 10 HD11 LEU 10 45.545 3.195 -3.603 99 HD12 LEU 10 HD12 LEU 10 46.204 3.596 -5.208 100 HD13 LEU 10 HD13 LEU 10 44.890 4.576 -4.515 101 HD21 LEU 10 HD21 LEU 10 47.267 5.860 -5.523 102 HD22 LEU 10 HD22 LEU 10 47.826 6.778 -4.106 103 HD23 LEU 10 HD23 LEU 10 46.096 6.749 -4.525 104 H LYS 11 HN LYS 11 48.456 8.052 -0.049 105 HA LYS 11 HA LYS 11 48.498 10.410 -1.450 106 HB2 LYS 11 HB2 LYS 11 46.275 11.503 -1.063 107 HB3 LYS 11 HB1 LYS 11 46.109 10.214 -2.248 108 HG2 LYS 11 HG2 LYS 11 45.570 8.767 0.008 109 HG3 LYS 11 HG1 LYS 11 45.048 10.375 0.559 110 HD2 LYS 11 HD2 LYS 11 43.648 10.560 -1.539 111 HD3 LYS 11 HD1 LYS 11 44.051 8.863 -1.890 112 HE2 LYS 11 HE2 LYS 11 41.929 8.867 -0.732 113 HE3 LYS 11 HE1 LYS 11 43.155 8.273 0.415 114 HZ1 LYS 11 HZ1 LYS 11 41.716 10.830 0.373 115 HZ2 LYS 11 HZ2 LYS 11 43.311 10.830 0.956 116 HZ3 LYS 11 HZ3 LYS 11 42.136 9.844 1.687 117 H ASN 12 HN ASN 12 46.421 9.666 1.447 118 HA ASN 12 HA ASN 12 46.920 10.627 3.614 119 HB2 ASN 12 HB2 ASN 12 49.286 9.726 3.267 120 HB3 ASN 12 HB1 ASN 12 49.733 11.211 2.361 121 HD21 ASN 12 HD21 ASN 12 48.737 13.272 3.820 122 HD22 ASN 12 HD22 ASN 12 49.312 13.227 5.489 123 H GLU 13 HN GLU 13 48.685 11.802 1.202 124 HA GLU 13 HA GLU 13 48.478 13.521 -0.368 125 HB2 GLU 13 HB2 GLU 13 47.723 15.101 2.222 126 HB3 GLU 13 HB1 GLU 13 48.176 15.892 0.710 127 HG2 GLU 13 HG2 GLU 13 46.280 14.894 -0.458 128 HG3 GLU 13 HG1 GLU 13 45.850 13.948 0.986 129 H ILE 14 HN ILE 14 50.283 12.072 -0.199 130 HA ILE 14 HA ILE 14 52.686 13.596 0.463 131 HB ILE 14 HB ILE 14 51.642 13.155 2.977 132 HG12 ILE 14 HG12 ILE 14 54.592 12.891 2.288 133 HG13 ILE 14 HG11 ILE 14 53.697 14.423 2.433 134 HG21 ILE 14 HG21 ILE 14 53.566 10.838 2.958 135 HG22 ILE 14 HG22 ILE 14 51.900 10.534 2.432 136 HG23 ILE 14 HG23 ILE 14 52.210 11.187 4.050 137 HD11 ILE 14 HD1 ILE 14 54.271 12.382 4.618 138 HD12 ILE 14 HD2 ILE 14 53.068 13.681 4.804 139 HD13 ILE 14 HD3 ILE 14 54.783 14.084 4.548 140 H LYS 15 HN LYS 15 51.287 12.028 -1.172 141 HA LYS 15 HA LYS 15 53.076 9.779 -1.706 142 HB2 LYS 15 HB2 LYS 15 51.391 9.222 -0.049 143 HB3 LYS 15 HB1 LYS 15 50.252 10.128 -1.120 144 HG2 LYS 15 HG2 LYS 15 50.080 7.517 -1.190 145 HG3 LYS 15 HG1 LYS 15 50.326 8.282 -2.763 146 HD2 LYS 15 HD2 LYS 15 52.659 7.722 -2.793 147 HD3 LYS 15 HD1 LYS 15 52.636 7.263 -1.073 148 HE2 LYS 15 HE2 LYS 15 51.141 5.370 -1.578 149 HE3 LYS 15 HE1 LYS 15 51.100 5.843 -3.293 150 HZ1 LYS 15 HZ1 LYS 15 52.831 4.085 -2.288 151 HZ2 LYS 15 HZ2 LYS 15 53.744 5.508 -2.122 152 HZ3 LYS 15 HZ3 LYS 15 53.160 5.043 -3.648 153 H LYS 16 HN LYS 16 50.771 11.937 -2.172 154 HA LYS 16 HA LYS 16 50.520 11.726 -5.171 155 HB2 LYS 16 HB2 LYS 16 49.211 11.823 -2.720 156 HB3 LYS 16 HB1 LYS 16 48.219 12.536 -4.066 157 HG2 LYS 16 HG2 LYS 16 49.392 9.690 -4.289 158 HG3 LYS 16 HG1 LYS 16 47.792 9.937 -3.599 159 HD2 LYS 16 HD2 LYS 16 47.125 11.180 -5.671 160 HD3 LYS 16 HD1 LYS 16 48.709 10.765 -6.370 161 HE2 LYS 16 HE2 LYS 16 48.142 8.317 -5.896 162 HE3 LYS 16 HE1 LYS 16 46.487 8.863 -5.531 163 HZ1 LYS 16 HZ1 LYS 16 46.147 9.539 -7.699 164 HZ2 LYS 16 HZ2 LYS 16 47.072 8.131 -7.917 165 HZ3 LYS 16 HZ3 LYS 16 47.801 9.660 -8.053 166 H LYS 17 HN LYS 17 50.520 12.789 -1.895 167 HA LYS 17 HA LYS 17 51.103 15.649 -3.075 168 HB2 LYS 17 HB2 LYS 17 49.710 15.418 -0.821 169 HB3 LYS 17 HB1 LYS 17 51.329 15.241 -0.137 170 HG2 LYS 17 HG2 LYS 17 51.983 17.331 -1.391 171 HG3 LYS 17 HG1 LYS 17 50.260 17.548 -1.778 172 HD2 LYS 17 HD2 LYS 17 49.680 17.723 0.569 173 HD3 LYS 17 HD1 LYS 17 51.327 17.262 1.064 174 HE2 LYS 17 HE2 LYS 17 50.686 19.737 -0.592 175 HE3 LYS 17 HE1 LYS 17 50.880 19.748 1.177 176 HZ1 LYS 17 HZ1 LYS 17 53.085 19.596 0.993 177 HZ2 LYS 17 HZ2 LYS 17 52.882 20.033 -0.636 178 HZ3 LYS 17 HZ3 LYS 17 53.014 18.395 -0.203 179 H TRP 18 HN TRP 18 51.859 12.539 -3.106 180 HA TRP 18 HA TRP 18 54.742 13.480 -3.233 181 HB2 TRP 18 HB2 TRP 18 54.479 12.803 -0.721 182 HB3 TRP 18 HB1 TRP 18 54.656 11.159 -1.346 183 HD1 TRP 18 HD1 TRP 18 57.005 10.603 -2.588 184 HE1 TRP 18 HE1 TRP 18 59.369 11.640 -2.291 185 HE3 TRP 18 HE3 TRP 18 55.699 14.933 -0.187 186 HZ2 TRP 18 HZ2 TRP 18 60.510 14.026 -1.159 187 HZ3 TRP 18 HZ3 TRP 18 57.444 16.572 0.498 188 HH2 TRP 18 HH2 TRP 18 59.846 16.122 0.015 189 H ARG 19 HN ARG 19 52.358 12.209 -4.685 190 HA ARG 19 HA ARG 19 53.847 9.912 -5.673 191 HB2 ARG 19 HB2 ARG 19 51.224 9.663 -5.743 192 HB3 ARG 19 HB1 ARG 19 51.358 10.750 -7.119 193 HG2 ARG 19 HG2 ARG 19 53.072 9.052 -8.057 194 HG3 ARG 19 HG1 ARG 19 52.492 7.953 -6.788 195 HD2 ARG 19 HD2 ARG 19 51.210 7.487 -8.784 196 HD3 ARG 19 HD1 ARG 19 50.136 8.342 -7.652 197 HE ARG 19 HE ARG 19 51.216 10.380 -9.189 198 HH11 ARG 19 HH11 ARG 19 48.329 9.663 -9.373 199 HH12 ARG 19 HH12 ARG 19 48.163 9.211 -11.037 200 HH21 ARG 19 HH21 ARG 19 51.572 8.816 -11.543 201 HH22 ARG 19 HH22 ARG 19 50.000 8.730 -12.266 202 H LYS 20 HN LYS 20 54.910 12.200 -5.457 203 HA LYS 20 HA LYS 20 56.402 13.269 -7.182 204 HB2 LYS 20 HB2 LYS 20 53.743 13.354 -8.282 205 HB3 LYS 20 HB1 LYS 20 55.110 14.434 -8.834 206 HG2 LYS 20 HG2 LYS 20 55.602 11.433 -8.980 207 HG3 LYS 20 HG1 LYS 20 54.517 12.123 -10.206 208 HD2 LYS 20 HD2 LYS 20 56.239 13.712 -10.905 209 HD3 LYS 20 HD1 LYS 20 57.316 13.170 -9.595 210 HE2 LYS 20 HE2 LYS 20 57.887 12.135 -11.806 211 HE3 LYS 20 HE1 LYS 20 57.445 10.929 -10.575 212 HZ1 LYS 20 HZ1 LYS 20 55.295 12.013 -12.240 213 HZ2 LYS 20 HZ2 LYS 20 55.502 10.447 -11.613 214 HZ3 LYS 20 HZ3 LYS 20 56.380 10.941 -12.982 215 H ALA 21 HN ALA 21 54.397 13.351 -5.004 216 HA ALA 21 HA ALA 21 53.493 15.045 -4.219 217 HB1 ALA 21 HB1 ALA 21 54.319 17.311 -5.603 218 HB2 ALA 21 HB2 ALA 21 55.556 16.526 -4.614 219 HB3 ALA 21 HB3 ALA 21 54.115 17.199 -3.855 220 H VAL 22 HN VAL 22 52.801 13.085 -5.665 221 HA VAL 22 HA VAL 22 51.748 12.961 -7.662 222 HB VAL 22 HB VAL 22 49.522 13.359 -6.287 223 HG11 VAL 22 HG11 VAL 22 49.962 15.879 -6.138 224 HG12 VAL 22 HG12 VAL 22 48.325 15.394 -6.620 225 HG13 VAL 22 HG13 VAL 22 49.482 15.960 -7.843 226 HG21 VAL 22 HG21 VAL 22 49.192 14.102 -9.197 227 HG22 VAL 22 HG22 VAL 22 48.153 13.099 -8.170 228 HG23 VAL 22 HG23 VAL 22 49.724 12.478 -8.718 229 H ILE 23 HN ILE 23 53.660 15.168 -6.980 230 HA ILE 23 HA ILE 23 53.432 16.092 -9.963 231 HB ILE 23 HB ILE 23 51.672 17.533 -8.362 232 HG12 ILE 23 HG12 ILE 23 53.038 18.470 -10.928 233 HG13 ILE 23 HG11 ILE 23 51.644 17.369 -10.834 234 HG21 ILE 23 HG21 ILE 23 52.464 19.752 -8.000 235 HG22 ILE 23 HG22 ILE 23 53.962 19.457 -8.914 236 HG23 ILE 23 HG23 ILE 23 53.720 18.697 -7.329 237 HD11 ILE 23 HD1 ILE 23 50.640 19.471 -11.239 238 HD12 ILE 23 HD2 ILE 23 51.776 20.327 -10.173 239 HD13 ILE 23 HD3 ILE 23 50.500 19.299 -9.473 240 H ALA 24 HN ALA 24 54.970 16.473 -6.862 241 HA ALA 24 HA ALA 24 57.365 17.102 -8.213 242 HB1 ALA 24 HB1 ALA 24 57.881 18.850 -6.595 243 HB2 ALA 24 HB2 ALA 24 56.316 18.347 -5.883 244 HB3 ALA 24 HB3 ALA 24 56.347 19.166 -7.465 245 H TRP 25 HN TRP 25 55.896 15.550 -6.474 246 HA TRP 25 HA TRP 25 56.648 13.662 -4.892 247 HB2 TRP 25 HB2 TRP 25 58.641 13.696 -6.690 248 HB3 TRP 25 HB1 TRP 25 59.564 14.354 -5.332 249 HD1 TRP 25 HD1 TRP 25 56.997 11.448 -5.682 250 HE1 TRP 25 HE1 TRP 25 57.949 9.346 -4.483 251 HE3 TRP 25 HE3 TRP 25 61.451 13.389 -4.069 252 HZ2 TRP 25 HZ2 TRP 25 60.331 8.637 -3.025 253 HZ3 TRP 25 HZ3 TRP 25 63.048 11.983 -2.777 254 HH2 TRP 25 HH2 TRP 25 62.493 9.611 -2.255 Start of MODEL 3 1 H1 ALA 1 HT1 ALA 1 48.094 2.801 14.990 2 H2 ALA 1 HT2 ALA 1 48.840 2.039 13.667 3 H3 ALA 1 HT3 ALA 1 47.441 1.370 14.360 4 HA ALA 1 HA ALA 1 46.591 2.356 12.526 5 HB1 ALA 1 HB1 ALA 1 46.556 4.388 14.780 6 HB2 ALA 1 HB2 ALA 1 45.346 3.129 14.433 7 HB3 ALA 1 HB3 ALA 1 45.544 4.505 13.321 8 H GLY 2 HN GLY 2 46.319 4.661 11.405 9 HA2 GLY 2 HA1 GLY 2 47.332 6.306 10.126 10 HA3 GLY 2 HA2 GLY 2 48.656 6.337 11.306 11 H LYS 3 HN LYS 3 48.065 3.214 10.097 12 HA LYS 3 HA LYS 3 50.599 3.312 8.577 13 HB2 LYS 3 HB2 LYS 3 49.799 1.443 10.202 14 HB3 LYS 3 HB1 LYS 3 48.770 0.903 8.855 15 HG2 LYS 3 HG2 LYS 3 50.781 0.734 7.399 16 HG3 LYS 3 HG1 LYS 3 51.802 1.260 8.757 17 HD2 LYS 3 HD2 LYS 3 51.038 -0.707 10.077 18 HD3 LYS 3 HD1 LYS 3 50.061 -1.244 8.689 19 HE2 LYS 3 HE2 LYS 3 52.200 -2.445 8.694 20 HE3 LYS 3 HE1 LYS 3 52.145 -1.336 7.303 21 HZ1 LYS 3 HZ1 LYS 3 53.525 -0.881 9.902 22 HZ2 LYS 3 HZ2 LYS 3 53.362 0.296 8.688 23 HZ3 LYS 3 HZ3 LYS 3 54.252 -1.120 8.388 24 H GLU 4 HN GLU 4 47.136 2.621 7.976 25 HA GLU 4 HA GLU 4 47.642 3.112 5.039 26 HB2 GLU 4 HB2 GLU 4 46.191 0.842 6.418 27 HB3 GLU 4 HB1 GLU 4 45.570 1.416 4.855 28 HG2 GLU 4 HG2 GLU 4 47.160 -0.444 4.535 29 HG3 GLU 4 HG1 GLU 4 47.799 1.062 3.833 30 H LYS 5 HN LYS 5 46.663 4.717 7.462 31 HA LYS 5 HA LYS 5 43.928 5.436 6.404 32 HB2 LYS 5 HB2 LYS 5 45.219 6.011 9.100 33 HB3 LYS 5 HB1 LYS 5 43.589 6.513 8.596 34 HG2 LYS 5 HG2 LYS 5 42.837 4.230 8.428 35 HG3 LYS 5 HG1 LYS 5 44.491 3.604 8.581 36 HD2 LYS 5 HD2 LYS 5 43.512 3.276 10.730 37 HD3 LYS 5 HD1 LYS 5 44.536 4.715 10.914 38 HE2 LYS 5 HE2 LYS 5 42.272 4.986 11.954 39 HE3 LYS 5 HE1 LYS 5 42.585 6.183 10.680 40 HZ1 LYS 5 HZ1 LYS 5 41.035 5.278 9.336 41 HZ2 LYS 5 HZ2 LYS 5 40.386 4.690 10.793 42 HZ3 LYS 5 HZ3 LYS 5 41.355 3.685 9.823 43 H ILE 6 HN ILE 6 46.765 6.974 7.996 44 HA ILE 6 HA ILE 6 46.763 9.071 5.878 45 HB ILE 6 HB ILE 6 46.772 9.867 8.826 46 HG12 ILE 6 HG12 ILE 6 44.450 9.821 6.842 47 HG13 ILE 6 HG11 ILE 6 44.578 8.885 8.350 48 HG21 ILE 6 HG21 ILE 6 47.812 11.330 6.974 49 HG22 ILE 6 HG22 ILE 6 46.567 12.100 7.983 50 HG23 ILE 6 HG23 ILE 6 46.158 11.528 6.348 51 HD11 ILE 6 HD1 ILE 6 43.211 10.737 8.932 52 HD12 ILE 6 HD2 ILE 6 44.214 11.880 8.010 53 HD13 ILE 6 HD3 ILE 6 44.823 11.188 9.534 54 H ARG 7 HN ARG 7 48.675 8.523 5.109 55 HA ARG 7 HA ARG 7 51.071 9.474 6.277 56 HB2 ARG 7 HB2 ARG 7 50.951 7.701 7.990 57 HB3 ARG 7 HB1 ARG 7 50.651 6.474 6.736 58 HG2 ARG 7 HG2 ARG 7 52.854 6.706 5.832 59 HG3 ARG 7 HG1 ARG 7 53.145 8.222 6.718 60 HD2 ARG 7 HD2 ARG 7 54.345 6.404 7.827 61 HD3 ARG 7 HD1 ARG 7 53.009 6.940 8.873 62 HE ARG 7 HE ARG 7 52.079 4.789 7.231 63 HH11 ARG 7 HH11 ARG 7 54.346 3.230 7.695 64 HH12 ARG 7 HH12 ARG 7 54.209 2.650 9.321 65 HH21 ARG 7 HH21 ARG 7 51.854 5.020 10.250 66 HH22 ARG 7 HH22 ARG 7 52.799 3.663 10.768 67 H LYS 8 HN LYS 8 49.010 7.875 4.377 68 HA LYS 8 HA LYS 8 50.171 8.433 1.967 69 HB2 LYS 8 HB2 LYS 8 50.359 5.863 1.277 70 HB3 LYS 8 HB1 LYS 8 51.777 6.772 1.851 71 HG2 LYS 8 HG2 LYS 8 51.820 5.717 3.940 72 HG3 LYS 8 HG1 LYS 8 50.073 5.400 3.950 73 HD2 LYS 8 HD2 LYS 8 51.334 3.300 3.662 74 HD3 LYS 8 HD1 LYS 8 50.388 3.660 2.199 75 HE2 LYS 8 HE2 LYS 8 52.760 2.928 1.728 76 HE3 LYS 8 HE1 LYS 8 52.356 4.530 1.066 77 HZ1 LYS 8 HZ1 LYS 8 53.684 4.101 3.693 78 HZ2 LYS 8 HZ2 LYS 8 53.445 5.580 2.891 79 HZ3 LYS 8 HZ3 LYS 8 54.519 4.427 2.254 80 H LYS 9 HN LYS 9 48.574 5.361 3.055 81 HA LYS 9 HA LYS 9 46.404 4.622 2.532 82 HB2 LYS 9 HB2 LYS 9 45.946 7.010 3.555 83 HB3 LYS 9 HB1 LYS 9 45.626 7.453 1.872 84 HG2 LYS 9 HG2 LYS 9 44.024 5.438 1.792 85 HG3 LYS 9 HG1 LYS 9 44.179 5.378 3.563 86 HD2 LYS 9 HD2 LYS 9 43.430 7.760 3.683 87 HD3 LYS 9 HD1 LYS 9 43.202 7.755 1.919 88 HE2 LYS 9 HE2 LYS 9 41.051 7.318 2.985 89 HE3 LYS 9 HE1 LYS 9 41.606 5.828 2.185 90 HZ1 LYS 9 HZ1 LYS 9 41.492 4.811 4.134 91 HZ2 LYS 9 HZ2 LYS 9 41.019 6.248 4.908 92 HZ3 LYS 9 HZ3 LYS 9 42.667 5.858 4.769 93 H LEU 10 HN LEU 10 48.603 5.835 0.832 94 HA LEU 10 HA LEU 10 49.354 5.683 -1.328 95 HB2 LEU 10 HB2 LEU 10 46.500 4.822 -2.020 96 HB3 LEU 10 HB1 LEU 10 47.782 5.067 -3.210 97 HG LEU 10 HG LEU 10 49.197 3.399 -1.916 98 HD11 LEU 10 HD11 LEU 10 46.560 3.104 -0.423 99 HD12 LEU 10 HD12 LEU 10 48.196 3.316 0.245 100 HD13 LEU 10 HD13 LEU 10 47.739 1.774 -0.508 101 HD21 LEU 10 HD21 LEU 10 46.528 2.426 -3.031 102 HD22 LEU 10 HD22 LEU 10 47.999 1.441 -2.853 103 HD23 LEU 10 HD23 LEU 10 47.977 2.810 -3.990 104 H LYS 11 HN LYS 11 48.836 7.926 0.135 105 HA LYS 11 HA LYS 11 48.756 10.145 -1.575 106 HB2 LYS 11 HB2 LYS 11 46.746 9.657 -2.791 107 HB3 LYS 11 HB1 LYS 11 45.931 8.984 -1.375 108 HG2 LYS 11 HG2 LYS 11 46.629 11.889 -1.094 109 HG3 LYS 11 HG1 LYS 11 45.524 11.557 -2.429 110 HD2 LYS 11 HD2 LYS 11 44.981 10.341 0.301 111 HD3 LYS 11 HD1 LYS 11 44.531 12.027 -0.034 112 HE2 LYS 11 HE2 LYS 11 43.109 11.353 -1.876 113 HE3 LYS 11 HE1 LYS 11 43.703 9.677 -1.792 114 HZ1 LYS 11 HZ1 LYS 11 41.628 9.752 -0.681 115 HZ2 LYS 11 HZ2 LYS 11 42.061 11.125 0.220 116 HZ3 LYS 11 HZ3 LYS 11 42.810 9.633 0.530 117 H ASN 12 HN ASN 12 46.425 9.438 1.174 118 HA ASN 12 HA ASN 12 46.517 10.760 3.181 119 HB2 ASN 12 HB2 ASN 12 48.781 9.750 3.385 120 HB3 ASN 12 HB1 ASN 12 49.519 10.954 2.239 121 HD21 ASN 12 HD21 ASN 12 47.061 12.453 4.131 122 HD22 ASN 12 HD22 ASN 12 48.103 13.130 5.387 123 H GLU 13 HN GLU 13 48.950 11.873 1.369 124 HA GLU 13 HA GLU 13 48.721 13.686 -0.346 125 HB2 GLU 13 HB2 GLU 13 47.850 14.940 2.316 126 HB3 GLU 13 HB1 GLU 13 48.973 15.883 1.329 127 HG2 GLU 13 HG2 GLU 13 47.424 15.733 -0.600 128 HG3 GLU 13 HG1 GLU 13 46.293 14.773 0.384 129 H ILE 14 HN ILE 14 50.388 11.872 -0.212 130 HA ILE 14 HA ILE 14 52.940 13.218 0.425 131 HB ILE 14 HB ILE 14 52.047 12.826 2.909 132 HG12 ILE 14 HG12 ILE 14 54.813 11.861 2.066 133 HG13 ILE 14 HG11 ILE 14 54.337 13.562 2.289 134 HG21 ILE 14 HG21 ILE 14 52.074 10.712 3.841 135 HG22 ILE 14 HG22 ILE 14 53.346 10.116 2.754 136 HG23 ILE 14 HG23 ILE 14 51.675 10.242 2.181 137 HD11 ILE 14 HD1 ILE 14 53.638 12.907 4.674 138 HD12 ILE 14 HD2 ILE 14 55.386 12.913 4.340 139 HD13 ILE 14 HD3 ILE 14 54.496 11.373 4.396 140 H LYS 15 HN LYS 15 51.477 11.929 -1.297 141 HA LYS 15 HA LYS 15 53.031 9.626 -2.154 142 HB2 LYS 15 HB2 LYS 15 50.509 10.086 -0.907 143 HB3 LYS 15 HB1 LYS 15 50.466 8.776 -2.171 144 HG2 LYS 15 HG2 LYS 15 51.974 8.692 0.480 145 HG3 LYS 15 HG1 LYS 15 50.749 7.603 -0.138 146 HD2 LYS 15 HD2 LYS 15 53.646 7.805 -1.027 147 HD3 LYS 15 HD1 LYS 15 52.789 6.413 -0.354 148 HE2 LYS 15 HE2 LYS 15 51.247 6.553 -2.427 149 HE3 LYS 15 HE1 LYS 15 52.487 7.613 -3.128 150 HZ1 LYS 15 HZ1 LYS 15 52.875 4.836 -2.142 151 HZ2 LYS 15 HZ2 LYS 15 54.128 5.853 -2.669 152 HZ3 LYS 15 HZ3 LYS 15 52.920 5.356 -3.754 153 H LYS 16 HN LYS 16 50.812 11.856 -2.151 154 HA LYS 16 HA LYS 16 50.061 11.929 -5.037 155 HB2 LYS 16 HB2 LYS 16 48.447 11.065 -3.497 156 HB3 LYS 16 HB1 LYS 16 49.212 12.259 -2.354 157 HG2 LYS 16 HG2 LYS 16 47.070 13.313 -2.880 158 HG3 LYS 16 HG1 LYS 16 48.133 14.060 -4.076 159 HD2 LYS 16 HD2 LYS 16 47.417 12.466 -5.788 160 HD3 LYS 16 HD1 LYS 16 46.436 11.582 -4.597 161 HE2 LYS 16 HE2 LYS 16 45.126 13.701 -4.197 162 HE3 LYS 16 HE1 LYS 16 46.027 14.453 -5.535 163 HZ1 LYS 16 HZ1 LYS 16 44.824 13.352 -7.037 164 HZ2 LYS 16 HZ2 LYS 16 43.733 13.019 -5.779 165 HZ3 LYS 16 HZ3 LYS 16 44.921 11.880 -6.201 166 H LYS 17 HN LYS 17 50.737 12.751 -1.739 167 HA LYS 17 HA LYS 17 51.487 15.618 -2.864 168 HB2 LYS 17 HB2 LYS 17 50.223 15.502 -0.521 169 HB3 LYS 17 HB1 LYS 17 51.865 15.148 0.050 170 HG2 LYS 17 HG2 LYS 17 52.661 17.172 -1.172 171 HG3 LYS 17 HG1 LYS 17 50.965 17.555 -1.551 172 HD2 LYS 17 HD2 LYS 17 50.421 17.704 0.831 173 HD3 LYS 17 HD1 LYS 17 52.071 17.200 1.268 174 HE2 LYS 17 HE2 LYS 17 52.925 19.228 -0.006 175 HE3 LYS 17 HE1 LYS 17 51.234 19.763 -0.146 176 HZ1 LYS 17 HZ1 LYS 17 52.135 20.792 1.767 177 HZ2 LYS 17 HZ2 LYS 17 52.810 19.342 2.338 178 HZ3 LYS 17 HZ3 LYS 17 51.124 19.555 2.335 179 H TRP 18 HN TRP 18 51.858 12.578 -3.128 180 HA TRP 18 HA TRP 18 54.823 13.204 -3.400 181 HB2 TRP 18 HB2 TRP 18 54.656 12.381 -0.922 182 HB3 TRP 18 HB1 TRP 18 54.638 10.775 -1.657 183 HD1 TRP 18 HD1 TRP 18 56.802 10.090 -3.118 184 HE1 TRP 18 HE1 TRP 18 59.280 10.851 -2.934 185 HE3 TRP 18 HE3 TRP 18 56.141 14.335 -0.335 186 HZ2 TRP 18 HZ2 TRP 18 60.747 13.018 -1.735 187 HZ3 TRP 18 HZ3 TRP 18 58.095 15.731 0.323 188 HH2 TRP 18 HH2 TRP 18 60.396 15.076 -0.373 189 H ARG 19 HN ARG 19 52.260 12.365 -4.767 190 HA ARG 19 HA ARG 19 53.380 10.026 -6.102 191 HB2 ARG 19 HB2 ARG 19 50.762 10.037 -5.923 192 HB3 ARG 19 HB1 ARG 19 50.866 11.289 -7.157 193 HG2 ARG 19 HG2 ARG 19 51.873 9.753 -8.724 194 HG3 ARG 19 HG1 ARG 19 52.143 8.541 -7.454 195 HD2 ARG 19 HD2 ARG 19 50.180 7.954 -8.838 196 HD3 ARG 19 HD1 ARG 19 49.692 8.306 -7.163 197 HE ARG 19 HE ARG 19 49.461 10.742 -8.535 198 HH11 ARG 19 HH11 ARG 19 47.035 9.894 -7.350 199 HH12 ARG 19 HH12 ARG 19 46.049 9.341 -8.664 200 HH21 ARG 19 HH21 ARG 19 48.708 9.013 -10.866 201 HH22 ARG 19 HH22 ARG 19 46.997 8.845 -10.656 202 H LYS 20 HN LYS 20 54.644 12.211 -5.731 203 HA LYS 20 HA LYS 20 56.105 13.322 -7.446 204 HB2 LYS 20 HB2 LYS 20 53.417 13.766 -8.343 205 HB3 LYS 20 HB1 LYS 20 54.855 14.749 -8.876 206 HG2 LYS 20 HG2 LYS 20 55.038 11.754 -9.347 207 HG3 LYS 20 HG1 LYS 20 53.940 12.654 -10.417 208 HD2 LYS 20 HD2 LYS 20 55.730 14.116 -11.145 209 HD3 LYS 20 HD1 LYS 20 56.838 13.455 -9.919 210 HE2 LYS 20 HE2 LYS 20 57.354 12.432 -12.076 211 HE3 LYS 20 HE1 LYS 20 56.624 11.201 -11.019 212 HZ1 LYS 20 HZ1 LYS 20 54.847 11.031 -12.339 213 HZ2 LYS 20 HZ2 LYS 20 55.785 11.818 -13.517 214 HZ3 LYS 20 HZ3 LYS 20 54.704 12.707 -12.555 215 H ALA 21 HN ALA 21 54.307 13.329 -5.111 216 HA ALA 21 HA ALA 21 53.656 15.014 -4.079 217 HB1 ALA 21 HB1 ALA 21 55.789 16.360 -4.602 218 HB2 ALA 21 HB2 ALA 21 54.510 17.076 -3.619 219 HB3 ALA 21 HB3 ALA 21 54.526 17.340 -5.367 220 H VAL 22 HN VAL 22 52.662 13.262 -5.699 221 HA VAL 22 HA VAL 22 51.480 13.451 -7.654 222 HB VAL 22 HB VAL 22 49.403 13.716 -6.055 223 HG11 VAL 22 HG11 VAL 22 48.307 15.770 -5.876 224 HG12 VAL 22 HG12 VAL 22 49.107 16.434 -7.315 225 HG13 VAL 22 HG13 VAL 22 50.009 16.267 -5.795 226 HG21 VAL 22 HG21 VAL 22 49.319 13.015 -8.465 227 HG22 VAL 22 HG22 VAL 22 49.029 14.716 -8.887 228 HG23 VAL 22 HG23 VAL 22 47.865 13.845 -7.872 229 H ILE 23 HN ILE 23 53.579 15.419 -6.814 230 HA ILE 23 HA ILE 23 53.040 17.053 -9.512 231 HB ILE 23 HB ILE 23 53.225 18.607 -6.873 232 HG12 ILE 23 HG12 ILE 23 51.043 18.335 -8.998 233 HG13 ILE 23 HG11 ILE 23 50.949 17.839 -7.301 234 HG21 ILE 23 HG21 ILE 23 54.564 19.637 -8.804 235 HG22 ILE 23 HG22 ILE 23 53.243 20.644 -8.221 236 HG23 ILE 23 HG23 ILE 23 53.046 19.711 -9.721 237 HD11 ILE 23 HD1 ILE 23 51.417 20.354 -6.760 238 HD12 ILE 23 HD2 ILE 23 49.787 19.880 -7.295 239 HD13 ILE 23 HD3 ILE 23 50.914 20.635 -8.446 240 H ALA 24 HN ALA 24 55.116 16.660 -6.644 241 HA ALA 24 HA ALA 24 57.395 16.903 -8.319 242 HB1 ALA 24 HB1 ALA 24 58.397 18.408 -6.648 243 HB2 ALA 24 HB2 ALA 24 56.825 18.140 -5.812 244 HB3 ALA 24 HB3 ALA 24 56.878 19.052 -7.351 245 H TRP 25 HN TRP 25 55.926 15.480 -6.477 246 HA TRP 25 HA TRP 25 56.528 13.365 -5.150 247 HB2 TRP 25 HB2 TRP 25 58.430 13.349 -7.057 248 HB3 TRP 25 HB1 TRP 25 59.483 13.732 -5.686 249 HD1 TRP 25 HD1 TRP 25 56.540 11.227 -6.175 250 HE1 TRP 25 HE1 TRP 25 57.271 8.901 -5.276 251 HE3 TRP 25 HE3 TRP 25 61.299 12.395 -4.694 252 HZ2 TRP 25 HZ2 TRP 25 59.615 7.736 -4.082 253 HZ3 TRP 25 HZ3 TRP 25 62.767 10.658 -3.679 254 HH2 TRP 25 HH2 TRP 25 61.931 8.332 -3.371 Start of MODEL 4 1 H1 ALA 1 HT1 ALA 1 43.704 4.054 12.399 2 H2 ALA 1 HT2 ALA 1 44.614 4.374 13.799 3 H3 ALA 1 HT3 ALA 1 45.397 4.006 12.337 4 HA ALA 1 HA ALA 1 43.930 6.076 11.588 5 HB1 ALA 1 HB1 ALA 1 43.213 6.308 14.004 6 HB2 ALA 1 HB2 ALA 1 43.974 7.755 13.298 7 HB3 ALA 1 HB3 ALA 1 44.904 6.703 14.392 8 H GLY 2 HN GLY 2 46.168 4.693 10.810 9 HA2 GLY 2 HA1 GLY 2 47.999 6.841 10.286 10 HA3 GLY 2 HA2 GLY 2 48.667 5.777 11.539 11 H LYS 3 HN LYS 3 47.532 3.326 10.600 12 HA LYS 3 HA LYS 3 49.556 2.601 8.682 13 HB2 LYS 3 HB2 LYS 3 47.087 1.228 9.794 14 HB3 LYS 3 HB1 LYS 3 48.060 0.463 8.516 15 HG2 LYS 3 HG2 LYS 3 48.745 -0.255 10.813 16 HG3 LYS 3 HG1 LYS 3 50.060 0.549 9.924 17 HD2 LYS 3 HD2 LYS 3 49.804 2.579 11.159 18 HD3 LYS 3 HD1 LYS 3 48.224 2.077 11.813 19 HE2 LYS 3 HE2 LYS 3 49.984 1.840 13.527 20 HE3 LYS 3 HE1 LYS 3 49.343 0.244 13.069 21 HZ1 LYS 3 HZ1 LYS 3 51.982 1.092 12.976 22 HZ2 LYS 3 HZ2 LYS 3 51.478 0.971 11.357 23 HZ3 LYS 3 HZ3 LYS 3 51.348 -0.370 12.393 24 H GLU 4 HN GLU 4 46.087 3.374 8.434 25 HA GLU 4 HA GLU 4 46.453 3.831 5.509 26 HB2 GLU 4 HB2 GLU 4 44.317 1.986 6.659 27 HB3 GLU 4 HB1 GLU 4 44.437 2.513 4.964 28 HG2 GLU 4 HG2 GLU 4 46.787 1.515 4.938 29 HG3 GLU 4 HG1 GLU 4 46.412 0.796 6.524 30 H LYS 5 HN LYS 5 46.310 6.021 6.479 31 HA LYS 5 HA LYS 5 43.590 7.006 6.196 32 HB2 LYS 5 HB2 LYS 5 43.609 6.116 8.574 33 HB3 LYS 5 HB1 LYS 5 44.851 7.334 8.943 34 HG2 LYS 5 HG2 LYS 5 43.282 9.117 8.123 35 HG3 LYS 5 HG1 LYS 5 42.032 7.867 7.908 36 HD2 LYS 5 HD2 LYS 5 42.286 7.275 10.343 37 HD3 LYS 5 HD1 LYS 5 43.398 8.654 10.518 38 HE2 LYS 5 HE2 LYS 5 41.568 10.150 9.620 39 HE3 LYS 5 HE1 LYS 5 40.468 8.752 9.686 40 HZ1 LYS 5 HZ1 LYS 5 40.106 9.362 11.783 41 HZ2 LYS 5 HZ2 LYS 5 41.430 10.426 11.811 42 HZ3 LYS 5 HZ3 LYS 5 41.658 8.775 12.139 43 H ILE 6 HN ILE 6 46.815 7.688 7.617 44 HA ILE 6 HA ILE 6 47.107 10.002 5.800 45 HB ILE 6 HB ILE 6 47.807 11.438 7.910 46 HG12 ILE 6 HG12 ILE 6 45.806 9.495 9.164 47 HG13 ILE 6 HG11 ILE 6 47.552 9.469 9.482 48 HG21 ILE 6 HG21 ILE 6 44.834 10.889 7.509 49 HG22 ILE 6 HG22 ILE 6 45.814 11.843 6.370 50 HG23 ILE 6 HG23 ILE 6 45.596 12.403 8.041 51 HD11 ILE 6 HD1 ILE 6 46.699 10.751 11.275 52 HD12 ILE 6 HD2 ILE 6 45.517 11.586 10.242 53 HD13 ILE 6 HD3 ILE 6 47.246 11.995 10.127 54 H ARG 7 HN ARG 7 48.817 8.796 4.901 55 HA ARG 7 HA ARG 7 51.399 9.316 6.030 56 HB2 ARG 7 HB2 ARG 7 50.918 7.613 7.745 57 HB3 ARG 7 HB1 ARG 7 50.370 6.472 6.497 58 HG2 ARG 7 HG2 ARG 7 52.595 6.300 5.567 59 HG3 ARG 7 HG1 ARG 7 53.179 7.651 6.569 60 HD2 ARG 7 HD2 ARG 7 52.144 4.990 7.645 61 HD3 ARG 7 HD1 ARG 7 53.862 5.433 7.488 62 HE ARG 7 HE ARG 7 52.434 7.426 9.020 63 HH11 ARG 7 HH11 ARG 7 52.509 7.311 11.287 64 HH12 ARG 7 HH12 ARG 7 53.334 5.987 12.038 65 HH21 ARG 7 HH21 ARG 7 54.038 4.382 9.047 66 HH22 ARG 7 HH22 ARG 7 54.200 4.328 10.770 67 H LYS 8 HN LYS 8 49.078 7.827 4.210 68 HA LYS 8 HA LYS 8 49.465 8.191 1.754 69 HB2 LYS 8 HB2 LYS 8 50.943 6.697 0.611 70 HB3 LYS 8 HB1 LYS 8 51.863 7.773 1.676 71 HG2 LYS 8 HG2 LYS 8 51.538 5.668 3.398 72 HG3 LYS 8 HG1 LYS 8 51.458 4.783 1.861 73 HD2 LYS 8 HD2 LYS 8 53.616 5.934 1.182 74 HD3 LYS 8 HD1 LYS 8 53.730 6.554 2.846 75 HE2 LYS 8 HE2 LYS 8 53.564 3.614 2.050 76 HE3 LYS 8 HE1 LYS 8 55.029 4.464 2.597 77 HZ1 LYS 8 HZ1 LYS 8 54.170 3.419 4.491 78 HZ2 LYS 8 HZ2 LYS 8 52.568 3.860 4.139 79 HZ3 LYS 8 HZ3 LYS 8 53.681 5.036 4.650 80 H LYS 9 HN LYS 9 47.364 7.528 2.702 81 HA LYS 9 HA LYS 9 46.733 4.710 2.816 82 HB2 LYS 9 HB2 LYS 9 45.273 6.493 3.776 83 HB3 LYS 9 HB1 LYS 9 44.959 7.087 2.129 84 HG2 LYS 9 HG2 LYS 9 43.722 5.153 1.529 85 HG3 LYS 9 HG1 LYS 9 44.397 4.189 2.864 86 HD2 LYS 9 HD2 LYS 9 43.100 5.376 4.501 87 HD3 LYS 9 HD1 LYS 9 42.647 6.636 3.329 88 HE2 LYS 9 HE2 LYS 9 40.799 4.995 3.734 89 HE3 LYS 9 HE1 LYS 9 41.333 5.017 2.036 90 HZ1 LYS 9 HZ1 LYS 9 42.569 3.133 3.942 91 HZ2 LYS 9 HZ2 LYS 9 42.397 3.004 2.257 92 HZ3 LYS 9 HZ3 LYS 9 41.054 2.771 3.270 93 H LEU 10 HN LEU 10 48.022 6.547 0.622 94 HA LEU 10 HA LEU 10 48.669 5.613 -1.528 95 HB2 LEU 10 HB2 LEU 10 46.664 4.016 -1.638 96 HB3 LEU 10 HB1 LEU 10 45.662 5.431 -2.041 97 HG LEU 10 HG LEU 10 47.575 5.792 -3.920 98 HD11 LEU 10 HD11 LEU 10 48.528 3.750 -4.750 99 HD12 LEU 10 HD12 LEU 10 47.563 2.763 -3.626 100 HD13 LEU 10 HD13 LEU 10 48.875 3.792 -3.005 101 HD21 LEU 10 HD21 LEU 10 45.298 3.767 -4.046 102 HD22 LEU 10 HD22 LEU 10 46.188 4.349 -5.475 103 HD23 LEU 10 HD23 LEU 10 45.236 5.488 -4.494 104 H LYS 11 HN LYS 11 48.575 8.008 -0.042 105 HA LYS 11 HA LYS 11 48.798 10.142 -1.638 106 HB2 LYS 11 HB2 LYS 11 46.621 11.247 -2.021 107 HB3 LYS 11 HB1 LYS 11 46.646 9.738 -2.931 108 HG2 LYS 11 HG2 LYS 11 45.490 8.711 -0.790 109 HG3 LYS 11 HG1 LYS 11 45.172 10.402 -0.357 110 HD2 LYS 11 HD2 LYS 11 44.081 10.724 -2.597 111 HD3 LYS 11 HD1 LYS 11 44.298 8.985 -2.912 112 HE2 LYS 11 HE2 LYS 11 42.693 10.235 -0.641 113 HE3 LYS 11 HE1 LYS 11 42.041 9.359 -2.047 114 HZ1 LYS 11 HZ1 LYS 11 42.114 7.828 -0.275 115 HZ2 LYS 11 HZ2 LYS 11 43.687 8.280 0.179 116 HZ3 LYS 11 HZ3 LYS 11 43.429 7.427 -1.267 117 H ASN 12 HN ASN 12 46.431 9.383 1.052 118 HA ASN 12 HA ASN 12 46.421 10.719 3.057 119 HB2 ASN 12 HB2 ASN 12 48.657 9.696 3.326 120 HB3 ASN 12 HB1 ASN 12 49.419 10.865 2.166 121 HD21 ASN 12 HD21 ASN 12 48.766 13.331 2.972 122 HD22 ASN 12 HD22 ASN 12 49.079 13.605 4.686 123 H GLU 13 HN GLU 13 48.888 11.888 1.295 124 HA GLU 13 HA GLU 13 48.709 13.744 -0.358 125 HB2 GLU 13 HB2 GLU 13 47.799 14.939 2.325 126 HB3 GLU 13 HB1 GLU 13 48.913 15.905 1.345 127 HG2 GLU 13 HG2 GLU 13 47.375 15.849 -0.555 128 HG3 GLU 13 HG1 GLU 13 46.287 14.744 0.318 129 H ILE 14 HN ILE 14 50.359 11.886 -0.210 130 HA ILE 14 HA ILE 14 52.897 13.215 0.619 131 HB ILE 14 HB ILE 14 51.817 12.697 3.013 132 HG12 ILE 14 HG12 ILE 14 54.655 11.811 2.335 133 HG13 ILE 14 HG11 ILE 14 54.136 13.492 2.596 134 HG21 ILE 14 HG21 ILE 14 51.780 10.539 3.828 135 HG22 ILE 14 HG22 ILE 14 53.174 10.020 2.855 136 HG23 ILE 14 HG23 ILE 14 51.568 10.125 2.116 137 HD11 ILE 14 HD1 ILE 14 55.030 12.790 4.693 138 HD12 ILE 14 HD2 ILE 14 54.205 11.216 4.611 139 HD13 ILE 14 HD3 ILE 14 53.265 12.701 4.895 140 H LYS 15 HN LYS 15 51.453 11.937 -1.215 141 HA LYS 15 HA LYS 15 53.087 9.675 -2.064 142 HB2 LYS 15 HB2 LYS 15 51.620 8.952 -0.310 143 HB3 LYS 15 HB1 LYS 15 50.396 10.081 -1.056 144 HG2 LYS 15 HG2 LYS 15 50.082 7.462 -1.415 145 HG3 LYS 15 HG1 LYS 15 50.074 8.421 -2.904 146 HD2 LYS 15 HD2 LYS 15 52.354 7.768 -3.400 147 HD3 LYS 15 HD1 LYS 15 52.590 7.122 -1.765 148 HE2 LYS 15 HE2 LYS 15 50.486 5.997 -3.650 149 HE3 LYS 15 HE1 LYS 15 52.165 5.408 -3.643 150 HZ1 LYS 15 HZ1 LYS 15 50.690 5.622 -1.100 151 HZ2 LYS 15 HZ2 LYS 15 51.958 4.575 -1.528 152 HZ3 LYS 15 HZ3 LYS 15 50.390 4.303 -2.123 153 H LYS 16 HN LYS 16 50.838 11.901 -2.105 154 HA LYS 16 HA LYS 16 50.100 11.936 -5.003 155 HB2 LYS 16 HB2 LYS 16 48.463 11.098 -3.506 156 HB3 LYS 16 HB1 LYS 16 49.239 12.257 -2.329 157 HG2 LYS 16 HG2 LYS 16 47.154 13.394 -2.799 158 HG3 LYS 16 HG1 LYS 16 48.168 14.086 -4.071 159 HD2 LYS 16 HD2 LYS 16 47.357 12.333 -5.651 160 HD3 LYS 16 HD1 LYS 16 46.288 11.708 -4.373 161 HE2 LYS 16 HE2 LYS 16 45.154 13.906 -4.241 162 HE3 LYS 16 HE1 LYS 16 46.225 14.538 -5.515 163 HZ1 LYS 16 HZ1 LYS 16 44.188 13.842 -6.513 164 HZ2 LYS 16 HZ2 LYS 16 44.251 12.322 -5.757 165 HZ3 LYS 16 HZ3 LYS 16 45.380 12.722 -6.961 166 H LYS 17 HN LYS 17 50.730 12.773 -1.713 167 HA LYS 17 HA LYS 17 51.481 15.654 -2.814 168 HB2 LYS 17 HB2 LYS 17 50.217 15.541 -0.485 169 HB3 LYS 17 HB1 LYS 17 51.835 15.112 0.102 170 HG2 LYS 17 HG2 LYS 17 52.715 17.131 -1.110 171 HG3 LYS 17 HG1 LYS 17 51.026 17.599 -1.420 172 HD2 LYS 17 HD2 LYS 17 50.577 17.618 1.016 173 HD3 LYS 17 HD1 LYS 17 52.264 17.144 1.332 174 HE2 LYS 17 HE2 LYS 17 52.141 19.541 1.599 175 HE3 LYS 17 HE1 LYS 17 52.985 19.228 0.064 176 HZ1 LYS 17 HZ1 LYS 17 50.280 19.293 -0.528 177 HZ2 LYS 17 HZ2 LYS 17 51.448 20.464 -0.917 178 HZ3 LYS 17 HZ3 LYS 17 50.544 20.604 0.514 179 H TRP 18 HN TRP 18 51.886 12.599 -3.090 180 HA TRP 18 HA TRP 18 54.861 13.239 -3.327 181 HB2 TRP 18 HB2 TRP 18 54.577 12.433 -0.834 182 HB3 TRP 18 HB1 TRP 18 54.643 10.830 -1.561 183 HD1 TRP 18 HD1 TRP 18 56.912 10.346 -3.091 184 HE1 TRP 18 HE1 TRP 18 59.351 11.102 -2.638 185 HE3 TRP 18 HE3 TRP 18 55.973 14.195 0.151 186 HZ2 TRP 18 HZ2 TRP 18 60.688 13.108 -1.066 187 HZ3 TRP 18 HZ3 TRP 18 57.851 15.512 1.122 188 HH2 TRP 18 HH2 TRP 18 60.206 14.971 0.518 189 H ARG 19 HN ARG 19 52.337 12.399 -4.719 190 HA ARG 19 HA ARG 19 53.477 10.059 -6.047 191 HB2 ARG 19 HB2 ARG 19 50.852 9.996 -5.859 192 HB3 ARG 19 HB1 ARG 19 50.920 11.279 -7.063 193 HG2 ARG 19 HG2 ARG 19 52.393 9.631 -8.435 194 HG3 ARG 19 HG1 ARG 19 51.826 8.392 -7.297 195 HD2 ARG 19 HD2 ARG 19 50.357 8.405 -9.246 196 HD3 ARG 19 HD1 ARG 19 49.460 9.038 -7.844 197 HE ARG 19 HE ARG 19 50.645 11.250 -9.189 198 HH11 ARG 19 HH11 ARG 19 48.433 8.689 -9.836 199 HH12 ARG 19 HH12 ARG 19 47.400 9.656 -10.836 200 HH21 ARG 19 HH21 ARG 19 49.254 12.555 -10.409 201 HH22 ARG 19 HH22 ARG 19 47.865 11.845 -11.160 202 H LYS 20 HN LYS 20 54.835 12.147 -5.720 203 HA LYS 20 HA LYS 20 56.189 13.381 -7.416 204 HB2 LYS 20 HB2 LYS 20 53.579 13.899 -8.223 205 HB3 LYS 20 HB1 LYS 20 54.976 14.667 -9.042 206 HG2 LYS 20 HG2 LYS 20 54.951 11.639 -9.229 207 HG3 LYS 20 HG1 LYS 20 53.753 12.496 -10.234 208 HD2 LYS 20 HD2 LYS 20 55.563 13.874 -11.204 209 HD3 LYS 20 HD1 LYS 20 56.755 13.021 -10.195 210 HE2 LYS 20 HE2 LYS 20 54.901 11.610 -12.157 211 HE3 LYS 20 HE1 LYS 20 56.549 12.137 -12.570 212 HZ1 LYS 20 HZ1 LYS 20 57.465 10.525 -11.321 213 HZ2 LYS 20 HZ2 LYS 20 55.965 9.752 -11.523 214 HZ3 LYS 20 HZ3 LYS 20 56.292 10.624 -10.101 215 H ALA 21 HN ALA 21 54.385 13.322 -5.089 216 HA ALA 21 HA ALA 21 53.589 14.957 -4.072 217 HB1 ALA 21 HB1 ALA 21 54.433 16.999 -3.501 218 HB2 ALA 21 HB2 ALA 21 54.521 17.339 -5.234 219 HB3 ALA 21 HB3 ALA 21 55.758 16.330 -4.459 220 H VAL 22 HN VAL 22 52.676 13.276 -5.666 221 HA VAL 22 HA VAL 22 51.469 13.445 -7.651 222 HB VAL 22 HB VAL 22 49.418 13.708 -6.033 223 HG11 VAL 22 HG11 VAL 22 48.333 15.763 -5.823 224 HG12 VAL 22 HG12 VAL 22 49.102 16.430 -7.279 225 HG13 VAL 22 HG13 VAL 22 50.036 16.262 -5.777 226 HG21 VAL 22 HG21 VAL 22 49.010 14.720 -8.855 227 HG22 VAL 22 HG22 VAL 22 47.859 13.845 -7.830 228 HG23 VAL 22 HG23 VAL 22 49.306 13.019 -8.446 229 H ILE 23 HN ILE 23 53.581 15.389 -6.806 230 HA ILE 23 HA ILE 23 53.053 17.007 -9.521 231 HB ILE 23 HB ILE 23 53.230 18.600 -6.904 232 HG12 ILE 23 HG12 ILE 23 51.025 18.299 -9.003 233 HG13 ILE 23 HG11 ILE 23 50.948 17.823 -7.299 234 HG21 ILE 23 HG21 ILE 23 52.992 19.668 -9.761 235 HG22 ILE 23 HG22 ILE 23 54.540 19.582 -8.895 236 HG23 ILE 23 HG23 ILE 23 53.249 20.610 -8.277 237 HD11 ILE 23 HD1 ILE 23 50.912 20.603 -8.479 238 HD12 ILE 23 HD2 ILE 23 51.428 20.342 -6.794 239 HD13 ILE 23 HD3 ILE 23 49.792 19.869 -7.309 240 H ALA 24 HN ALA 24 55.026 16.767 -6.571 241 HA ALA 24 HA ALA 24 57.362 16.999 -8.176 242 HB1 ALA 24 HB1 ALA 24 56.702 18.142 -5.661 243 HB2 ALA 24 HB2 ALA 24 56.748 19.105 -7.173 244 HB3 ALA 24 HB3 ALA 24 58.270 18.493 -6.452 245 H TRP 25 HN TRP 25 55.894 15.473 -6.415 246 HA TRP 25 HA TRP 25 56.551 13.424 -5.047 247 HB2 TRP 25 HB2 TRP 25 58.394 12.231 -5.759 248 HB3 TRP 25 HB1 TRP 25 58.422 13.441 -7.049 249 HD1 TRP 25 HD1 TRP 25 59.983 12.967 -3.527 250 HE1 TRP 25 HE1 TRP 25 62.388 13.940 -3.537 251 HE3 TRP 25 HE3 TRP 25 60.085 14.779 -8.304 252 HZ2 TRP 25 HZ2 TRP 25 64.105 15.310 -5.396 253 HZ3 TRP 25 HZ3 TRP 25 62.121 15.912 -9.181 254 HH2 TRP 25 HH2 TRP 25 64.131 16.178 -7.732 Start of MODEL 5 1 H1 ALA 1 HT1 ALA 1 46.292 0.773 13.394 2 H2 ALA 1 HT2 ALA 1 46.993 1.089 11.879 3 H3 ALA 1 HT3 ALA 1 45.327 0.784 12.001 4 HA ALA 1 HA ALA 1 44.988 2.919 12.120 5 HB1 ALA 1 HB1 ALA 1 45.584 4.028 14.263 6 HB2 ALA 1 HB2 ALA 1 46.599 2.626 14.678 7 HB3 ALA 1 HB3 ALA 1 44.839 2.430 14.503 8 H GLY 2 HN GLY 2 45.753 4.581 10.996 9 HA2 GLY 2 HA1 GLY 2 47.281 6.217 10.313 10 HA3 GLY 2 HA2 GLY 2 48.519 5.507 11.367 11 H LYS 3 HN LYS 3 48.252 2.806 10.315 12 HA LYS 3 HA LYS 3 50.135 3.032 8.148 13 HB2 LYS 3 HB2 LYS 3 49.733 0.552 7.912 14 HB3 LYS 3 HB1 LYS 3 50.164 1.072 9.559 15 HG2 LYS 3 HG2 LYS 3 47.815 1.028 10.239 16 HG3 LYS 3 HG1 LYS 3 47.308 0.646 8.575 17 HD2 LYS 3 HD2 LYS 3 48.499 -1.490 8.657 18 HD3 LYS 3 HD1 LYS 3 49.141 -1.103 10.272 19 HE2 LYS 3 HE2 LYS 3 46.824 -1.013 11.164 20 HE3 LYS 3 HE1 LYS 3 46.195 -1.431 9.552 21 HZ1 LYS 3 HZ1 LYS 3 46.607 -3.284 11.301 22 HZ2 LYS 3 HZ2 LYS 3 48.230 -3.149 10.816 23 HZ3 LYS 3 HZ3 LYS 3 47.032 -3.552 9.681 24 H GLU 4 HN GLU 4 46.863 3.637 8.195 25 HA GLU 4 HA GLU 4 46.724 3.677 5.284 26 HB2 GLU 4 HB2 GLU 4 46.281 1.244 5.816 27 HB3 GLU 4 HB1 GLU 4 44.839 1.769 6.717 28 HG2 GLU 4 HG2 GLU 4 43.949 2.853 4.678 29 HG3 GLU 4 HG1 GLU 4 45.398 2.349 3.773 30 H LYS 5 HN LYS 5 46.483 5.891 6.277 31 HA LYS 5 HA LYS 5 43.697 6.648 6.143 32 HB2 LYS 5 HB2 LYS 5 43.881 5.674 8.498 33 HB3 LYS 5 HB1 LYS 5 44.979 7.022 8.875 34 HG2 LYS 5 HG2 LYS 5 43.211 8.639 8.199 35 HG3 LYS 5 HG1 LYS 5 42.111 7.278 7.865 36 HD2 LYS 5 HD2 LYS 5 42.294 6.548 10.226 37 HD3 LYS 5 HD1 LYS 5 43.385 7.913 10.563 38 HE2 LYS 5 HE2 LYS 5 40.580 8.275 9.437 39 HE3 LYS 5 HE1 LYS 5 40.936 8.292 11.180 40 HZ1 LYS 5 HZ1 LYS 5 42.797 9.952 9.950 41 HZ2 LYS 5 HZ2 LYS 5 41.510 10.405 10.963 42 HZ3 LYS 5 HZ3 LYS 5 41.292 10.353 9.278 43 H ILE 6 HN ILE 6 46.868 7.550 7.551 44 HA ILE 6 HA ILE 6 46.988 9.903 5.779 45 HB ILE 6 HB ILE 6 47.661 11.241 8.092 46 HG12 ILE 6 HG12 ILE 6 45.906 10.769 9.793 47 HG13 ILE 6 HG11 ILE 6 45.374 9.359 8.855 48 HG21 ILE 6 HG21 ILE 6 46.077 12.016 6.330 49 HG22 ILE 6 HG22 ILE 6 45.468 12.336 7.971 50 HG23 ILE 6 HG23 ILE 6 44.814 10.976 7.029 51 HD11 ILE 6 HD1 ILE 6 48.177 9.752 9.999 52 HD12 ILE 6 HD2 ILE 6 47.587 8.309 9.137 53 HD13 ILE 6 HD3 ILE 6 46.909 8.738 10.724 54 H ARG 7 HN ARG 7 48.734 8.702 4.903 55 HA ARG 7 HA ARG 7 51.288 9.404 6.004 56 HB2 ARG 7 HB2 ARG 7 50.220 7.194 7.398 57 HB3 ARG 7 HB1 ARG 7 51.210 6.414 6.153 58 HG2 ARG 7 HG2 ARG 7 52.220 8.617 8.013 59 HG3 ARG 7 HG1 ARG 7 52.444 6.877 8.300 60 HD2 ARG 7 HD2 ARG 7 53.624 6.683 6.115 61 HD3 ARG 7 HD1 ARG 7 53.445 8.437 5.877 62 HE ARG 7 HE ARG 7 54.688 8.078 8.393 63 HH11 ARG 7 HH11 ARG 7 55.243 7.974 5.013 64 HH12 ARG 7 HH12 ARG 7 56.963 7.843 5.155 65 HH21 ARG 7 HH21 ARG 7 56.928 7.663 8.618 66 HH22 ARG 7 HH22 ARG 7 57.918 7.667 7.197 67 H LYS 8 HN LYS 8 49.052 7.770 4.196 68 HA LYS 8 HA LYS 8 49.456 8.241 1.720 69 HB2 LYS 8 HB2 LYS 8 50.919 6.721 0.590 70 HB3 LYS 8 HB1 LYS 8 51.840 7.794 1.655 71 HG2 LYS 8 HG2 LYS 8 51.461 5.711 3.395 72 HG3 LYS 8 HG1 LYS 8 51.413 4.813 1.862 73 HD2 LYS 8 HD2 LYS 8 53.603 5.738 1.221 74 HD3 LYS 8 HD1 LYS 8 53.654 6.695 2.722 75 HE2 LYS 8 HE2 LYS 8 53.450 3.654 2.618 76 HE3 LYS 8 HE1 LYS 8 54.962 4.557 2.881 77 HZ1 LYS 8 HZ1 LYS 8 54.426 4.895 4.997 78 HZ2 LYS 8 HZ2 LYS 8 53.148 3.792 4.799 79 HZ3 LYS 8 HZ3 LYS 8 52.873 5.457 4.608 80 H LYS 9 HN LYS 9 47.356 7.481 2.881 81 HA LYS 9 HA LYS 9 46.719 4.718 2.952 82 HB2 LYS 9 HB2 LYS 9 45.140 6.392 3.772 83 HB3 LYS 9 HB1 LYS 9 45.006 7.095 2.142 84 HG2 LYS 9 HG2 LYS 9 43.925 5.126 1.280 85 HG3 LYS 9 HG1 LYS 9 44.300 4.196 2.750 86 HD2 LYS 9 HD2 LYS 9 42.863 5.752 4.072 87 HD3 LYS 9 HD1 LYS 9 42.444 6.610 2.570 88 HE2 LYS 9 HE2 LYS 9 41.376 4.646 1.652 89 HE3 LYS 9 HE1 LYS 9 41.988 3.627 2.977 90 HZ1 LYS 9 HZ1 LYS 9 40.468 5.943 3.822 91 HZ2 LYS 9 HZ2 LYS 9 40.392 4.334 4.360 92 HZ3 LYS 9 HZ3 LYS 9 39.570 4.800 2.947 93 H LEU 10 HN LEU 10 47.665 6.803 0.638 94 HA LEU 10 HA LEU 10 48.515 5.641 -1.464 95 HB2 LEU 10 HB2 LEU 10 45.505 5.161 -1.566 96 HB3 LEU 10 HB1 LEU 10 46.399 5.421 -3.072 97 HG LEU 10 HG LEU 10 47.490 3.383 -1.102 98 HD11 LEU 10 HD11 LEU 10 45.129 2.749 -1.270 99 HD12 LEU 10 HD12 LEU 10 46.107 1.630 -2.249 100 HD13 LEU 10 HD13 LEU 10 45.176 2.925 -3.040 101 HD21 LEU 10 HD21 LEU 10 48.678 4.113 -3.243 102 HD22 LEU 10 HD22 LEU 10 47.339 3.367 -4.146 103 HD23 LEU 10 HD23 LEU 10 48.376 2.366 -3.102 104 H LYS 11 HN LYS 11 48.554 8.043 -0.060 105 HA LYS 11 HA LYS 11 48.789 10.180 -1.635 106 HB2 LYS 11 HB2 LYS 11 46.622 11.317 -2.030 107 HB3 LYS 11 HB1 LYS 11 46.627 9.805 -2.938 108 HG2 LYS 11 HG2 LYS 11 45.474 8.848 -0.700 109 HG3 LYS 11 HG1 LYS 11 45.087 10.558 -0.436 110 HD2 LYS 11 HD2 LYS 11 43.972 10.671 -2.630 111 HD3 LYS 11 HD1 LYS 11 44.402 8.973 -2.952 112 HE2 LYS 11 HE2 LYS 11 43.143 8.358 -0.825 113 HE3 LYS 11 HE1 LYS 11 42.553 10.037 -0.778 114 HZ1 LYS 11 HZ1 LYS 11 42.236 8.277 -3.152 115 HZ2 LYS 11 HZ2 LYS 11 41.467 9.759 -2.840 116 HZ3 LYS 11 HZ3 LYS 11 41.070 8.384 -1.924 117 H ASN 12 HN ASN 12 46.475 9.350 1.073 118 HA ASN 12 HA ASN 12 46.426 10.710 3.067 119 HB2 ASN 12 HB2 ASN 12 48.623 9.651 3.338 120 HB3 ASN 12 HB1 ASN 12 49.417 10.805 2.166 121 HD21 ASN 12 HD21 ASN 12 50.771 11.977 3.550 122 HD22 ASN 12 HD22 ASN 12 50.246 12.825 5.006 123 H GLU 13 HN GLU 13 48.946 11.880 1.349 124 HA GLU 13 HA GLU 13 48.755 13.765 -0.279 125 HB2 GLU 13 HB2 GLU 13 48.686 15.984 0.993 126 HB3 GLU 13 HB1 GLU 13 47.157 15.122 1.169 127 HG2 GLU 13 HG2 GLU 13 47.431 15.447 3.434 128 HG3 GLU 13 HG1 GLU 13 48.629 14.139 3.351 129 H ILE 14 HN ILE 14 50.380 11.875 -0.180 130 HA ILE 14 HA ILE 14 52.962 13.193 0.465 131 HB ILE 14 HB ILE 14 52.157 12.846 2.958 132 HG12 ILE 14 HG12 ILE 14 54.822 11.681 2.045 133 HG13 ILE 14 HG11 ILE 14 54.472 13.414 2.246 134 HG21 ILE 14 HG21 ILE 14 51.626 10.255 2.213 135 HG22 ILE 14 HG22 ILE 14 52.013 10.725 3.878 136 HG23 ILE 14 HG23 ILE 14 53.277 10.060 2.825 137 HD11 ILE 14 HD1 ILE 14 54.564 11.262 4.393 138 HD12 ILE 14 HD2 ILE 14 53.801 12.847 4.667 139 HD13 ILE 14 HD3 ILE 14 55.534 12.747 4.279 140 H LYS 15 HN LYS 15 51.486 11.930 -1.246 141 HA LYS 15 HA LYS 15 53.028 9.617 -2.100 142 HB2 LYS 15 HB2 LYS 15 51.590 8.931 -0.317 143 HB3 LYS 15 HB1 LYS 15 50.376 10.099 -1.016 144 HG2 LYS 15 HG2 LYS 15 49.973 7.488 -1.384 145 HG3 LYS 15 HG1 LYS 15 49.951 8.458 -2.867 146 HD2 LYS 15 HD2 LYS 15 52.235 7.763 -3.383 147 HD3 LYS 15 HD1 LYS 15 52.414 7.016 -1.785 148 HE2 LYS 15 HE2 LYS 15 50.824 5.295 -2.308 149 HE3 LYS 15 HE1 LYS 15 50.301 6.134 -3.787 150 HZ1 LYS 15 HZ1 LYS 15 51.769 4.459 -4.482 151 HZ2 LYS 15 HZ2 LYS 15 52.895 4.793 -3.254 152 HZ3 LYS 15 HZ3 LYS 15 52.687 5.884 -4.540 153 H LYS 16 HN LYS 16 50.834 11.921 -2.090 154 HA LYS 16 HA LYS 16 50.085 11.991 -4.994 155 HB2 LYS 16 HB2 LYS 16 48.431 11.170 -3.512 156 HB3 LYS 16 HB1 LYS 16 49.236 12.279 -2.308 157 HG2 LYS 16 HG2 LYS 16 47.178 13.477 -2.736 158 HG3 LYS 16 HG1 LYS 16 48.202 14.179 -3.993 159 HD2 LYS 16 HD2 LYS 16 47.348 12.438 -5.598 160 HD3 LYS 16 HD1 LYS 16 46.221 11.894 -4.332 161 HE2 LYS 16 HE2 LYS 16 45.302 14.228 -4.212 162 HE3 LYS 16 HE1 LYS 16 46.353 14.674 -5.577 163 HZ1 LYS 16 HZ1 LYS 16 45.204 13.279 -7.013 164 HZ2 LYS 16 HZ2 LYS 16 43.960 13.948 -6.068 165 HZ3 LYS 16 HZ3 LYS 16 44.507 12.368 -5.763 166 H LYS 17 HN LYS 17 50.738 12.784 -1.680 167 HA LYS 17 HA LYS 17 51.563 15.643 -2.784 168 HB2 LYS 17 HB2 LYS 17 50.321 15.512 -0.423 169 HB3 LYS 17 HB1 LYS 17 51.956 15.126 0.122 170 HG2 LYS 17 HG2 LYS 17 51.994 17.451 0.281 171 HG3 LYS 17 HG1 LYS 17 52.626 17.212 -1.363 172 HD2 LYS 17 HD2 LYS 17 50.254 17.500 -2.227 173 HD3 LYS 17 HD1 LYS 17 49.764 17.921 -0.569 174 HE2 LYS 17 HE2 LYS 17 50.210 19.978 -1.810 175 HE3 LYS 17 HE1 LYS 17 51.476 19.756 -0.578 176 HZ1 LYS 17 HZ1 LYS 17 53.030 19.200 -2.151 177 HZ2 LYS 17 HZ2 LYS 17 52.105 20.322 -3.028 178 HZ3 LYS 17 HZ3 LYS 17 51.887 18.656 -3.280 179 H TRP 18 HN TRP 18 51.886 12.582 -3.071 180 HA TRP 18 HA TRP 18 54.856 13.176 -3.349 181 HB2 TRP 18 HB2 TRP 18 54.714 12.356 -0.872 182 HB3 TRP 18 HB1 TRP 18 54.615 10.750 -1.593 183 HD1 TRP 18 HD1 TRP 18 56.940 13.689 -1.111 184 HE1 TRP 18 HE1 TRP 18 59.370 12.994 -1.725 185 HE3 TRP 18 HE3 TRP 18 55.989 9.043 -3.050 186 HZ2 TRP 18 HZ2 TRP 18 60.689 10.715 -2.886 187 HZ3 TRP 18 HZ3 TRP 18 57.850 7.625 -3.895 188 HH2 TRP 18 HH2 TRP 18 60.198 8.454 -3.811 189 H ARG 19 HN ARG 19 52.265 12.351 -4.700 190 HA ARG 19 HA ARG 19 53.375 10.014 -6.034 191 HB2 ARG 19 HB2 ARG 19 50.753 10.056 -5.858 192 HB3 ARG 19 HB1 ARG 19 50.878 11.279 -7.112 193 HG2 ARG 19 HG2 ARG 19 51.931 9.698 -8.625 194 HG3 ARG 19 HG1 ARG 19 52.091 8.497 -7.325 195 HD2 ARG 19 HD2 ARG 19 49.440 9.590 -8.362 196 HD3 ARG 19 HD1 ARG 19 50.155 8.032 -8.844 197 HE ARG 19 HE ARG 19 49.944 8.227 -5.962 198 HH11 ARG 19 HH11 ARG 19 47.303 8.967 -7.591 199 HH12 ARG 19 HH12 ARG 19 46.459 7.465 -7.414 200 HH21 ARG 19 HH21 ARG 19 49.238 5.732 -6.280 201 HH22 ARG 19 HH22 ARG 19 47.554 5.634 -6.671 202 H LYS 20 HN LYS 20 54.679 12.190 -5.675 203 HA LYS 20 HA LYS 20 56.140 13.298 -7.409 204 HB2 LYS 20 HB2 LYS 20 53.443 13.714 -8.295 205 HB3 LYS 20 HB1 LYS 20 54.868 14.716 -8.844 206 HG2 LYS 20 HG2 LYS 20 55.064 11.712 -9.288 207 HG3 LYS 20 HG1 LYS 20 53.961 12.597 -10.365 208 HD2 LYS 20 HD2 LYS 20 56.779 13.637 -9.903 209 HD3 LYS 20 HD1 LYS 20 56.503 12.308 -11.049 210 HE2 LYS 20 HE2 LYS 20 55.121 13.642 -12.449 211 HE3 LYS 20 HE1 LYS 20 54.884 14.878 -11.191 212 HZ1 LYS 20 HZ1 LYS 20 57.094 15.605 -11.417 213 HZ2 LYS 20 HZ2 LYS 20 56.527 15.422 -13.008 214 HZ3 LYS 20 HZ3 LYS 20 57.553 14.251 -12.328 215 H ALA 21 HN ALA 21 54.333 13.313 -5.081 216 HA ALA 21 HA ALA 21 53.645 14.978 -4.079 217 HB1 ALA 21 HB1 ALA 21 54.477 17.020 -3.543 218 HB2 ALA 21 HB2 ALA 21 54.552 17.305 -5.278 219 HB3 ALA 21 HB3 ALA 21 55.786 16.319 -4.494 220 H VAL 22 HN VAL 22 52.677 13.259 -5.648 221 HA VAL 22 HA VAL 22 51.478 13.420 -7.549 222 HB VAL 22 HB VAL 22 49.409 13.830 -5.973 223 HG11 VAL 22 HG11 VAL 22 49.471 16.574 -7.262 224 HG12 VAL 22 HG12 VAL 22 50.051 16.281 -5.614 225 HG13 VAL 22 HG13 VAL 22 48.351 15.974 -6.022 226 HG21 VAL 22 HG21 VAL 22 49.359 13.194 -8.489 227 HG22 VAL 22 HG22 VAL 22 48.912 14.890 -8.757 228 HG23 VAL 22 HG23 VAL 22 47.885 13.853 -7.752 229 H ILE 23 HN ILE 23 53.606 15.391 -6.816 230 HA ILE 23 HA ILE 23 53.304 16.550 -9.688 231 HB ILE 23 HB ILE 23 51.589 17.996 -8.237 232 HG12 ILE 23 HG12 ILE 23 52.364 20.055 -9.774 233 HG13 ILE 23 HG11 ILE 23 53.472 18.847 -10.461 234 HG21 ILE 23 HG21 ILE 23 53.325 18.706 -6.565 235 HG22 ILE 23 HG22 ILE 23 52.498 20.054 -7.358 236 HG23 ILE 23 HG23 ILE 23 54.146 19.613 -7.853 237 HD11 ILE 23 HD1 ILE 23 51.351 17.339 -10.691 238 HD12 ILE 23 HD2 ILE 23 51.533 18.699 -11.822 239 HD13 ILE 23 HD3 ILE 23 50.435 18.839 -10.429 240 H ALA 24 HN ALA 24 55.011 16.545 -6.679 241 HA ALA 24 HA ALA 24 57.355 17.210 -8.104 242 HB1 ALA 24 HB1 ALA 24 56.557 18.211 -5.573 243 HB2 ALA 24 HB2 ALA 24 56.489 19.209 -7.046 244 HB3 ALA 24 HB3 ALA 24 58.068 18.731 -6.352 245 H TRP 25 HN TRP 25 55.913 15.534 -6.462 246 HA TRP 25 HA TRP 25 56.632 13.444 -5.131 247 HB2 TRP 25 HB2 TRP 25 59.119 14.066 -6.709 248 HB3 TRP 25 HB1 TRP 25 59.402 13.183 -5.204 249 HD1 TRP 25 HD1 TRP 25 57.195 11.130 -5.059 250 HE1 TRP 25 HE1 TRP 25 56.852 9.272 -6.842 251 HE3 TRP 25 HE3 TRP 25 59.610 13.341 -8.986 252 HZ2 TRP 25 HZ2 TRP 25 57.546 8.839 -9.606 253 HZ3 TRP 25 HZ3 TRP 25 59.757 12.191 -11.189 254 HH2 TRP 25 HH2 TRP 25 58.729 9.944 -11.502 Start of MODEL 6 1 H1 ALA 1 HT1 ALA 1 45.987 2.387 11.247 2 H2 ALA 1 HT2 ALA 1 45.416 1.695 12.692 3 H3 ALA 1 HT3 ALA 1 46.952 1.279 12.093 4 HA ALA 1 HA ALA 1 46.067 3.853 13.215 5 HB1 ALA 1 HB1 ALA 1 48.340 1.990 13.979 6 HB2 ALA 1 HB2 ALA 1 46.744 2.006 14.767 7 HB3 ALA 1 HB3 ALA 1 47.795 3.439 14.856 8 H GLY 2 HN GLY 2 46.477 5.091 11.349 9 HA2 GLY 2 HA1 GLY 2 47.880 6.526 10.178 10 HA3 GLY 2 HA2 GLY 2 49.258 5.889 11.097 11 H LYS 3 HN LYS 3 48.217 3.098 10.180 12 HA LYS 3 HA LYS 3 50.038 2.921 7.919 13 HB2 LYS 3 HB2 LYS 3 48.032 0.901 8.999 14 HB3 LYS 3 HB1 LYS 3 49.356 0.553 7.859 15 HG2 LYS 3 HG2 LYS 3 50.944 1.523 9.644 16 HG3 LYS 3 HG1 LYS 3 49.564 1.437 10.765 17 HD2 LYS 3 HD2 LYS 3 50.754 -0.900 9.204 18 HD3 LYS 3 HD1 LYS 3 50.959 -0.594 10.944 19 HE2 LYS 3 HE2 LYS 3 48.359 -0.635 11.062 20 HE3 LYS 3 HE1 LYS 3 48.438 -1.386 9.449 21 HZ1 LYS 3 HZ1 LYS 3 48.530 -3.217 10.786 22 HZ2 LYS 3 HZ2 LYS 3 49.353 -2.423 12.042 23 HZ3 LYS 3 HZ3 LYS 3 50.188 -2.897 10.641 24 H GLU 4 HN GLU 4 46.628 3.506 8.318 25 HA GLU 4 HA GLU 4 46.346 3.792 5.379 26 HB2 GLU 4 HB2 GLU 4 44.684 1.827 7.008 27 HB3 GLU 4 HB1 GLU 4 44.238 2.406 5.386 28 HG2 GLU 4 HG2 GLU 4 46.544 1.582 4.606 29 HG3 GLU 4 HG1 GLU 4 46.681 0.770 6.182 30 H LYS 5 HN LYS 5 46.423 5.676 7.498 31 HA LYS 5 HA LYS 5 43.593 6.715 7.364 32 HB2 LYS 5 HB2 LYS 5 45.498 6.989 9.727 33 HB3 LYS 5 HB1 LYS 5 43.839 7.614 9.622 34 HG2 LYS 5 HG2 LYS 5 44.463 4.647 9.318 35 HG3 LYS 5 HG1 LYS 5 44.190 5.390 10.906 36 HD2 LYS 5 HD2 LYS 5 41.968 6.269 9.999 37 HD3 LYS 5 HD1 LYS 5 42.237 5.243 8.570 38 HE2 LYS 5 HE2 LYS 5 42.502 3.272 10.138 39 HE3 LYS 5 HE1 LYS 5 41.984 4.339 11.465 40 HZ1 LYS 5 HZ1 LYS 5 39.993 3.467 10.811 41 HZ2 LYS 5 HZ2 LYS 5 40.445 3.313 9.180 42 HZ3 LYS 5 HZ3 LYS 5 40.035 4.836 9.810 43 H ILE 6 HN ILE 6 47.075 7.374 7.709 44 HA ILE 6 HA ILE 6 46.972 9.615 5.914 45 HB ILE 6 HB ILE 6 45.848 10.810 7.719 46 HG12 ILE 6 HG12 ILE 6 48.791 11.632 7.664 47 HG13 ILE 6 HG11 ILE 6 47.609 11.995 6.386 48 HG21 ILE 6 HG21 ILE 6 48.198 10.429 9.603 49 HG22 ILE 6 HG22 ILE 6 46.928 9.186 9.523 50 HG23 ILE 6 HG23 ILE 6 46.512 10.855 9.967 51 HD11 ILE 6 HD1 ILE 6 47.509 12.904 9.289 52 HD12 ILE 6 HD2 ILE 6 46.175 13.126 8.132 53 HD13 ILE 6 HD3 ILE 6 47.741 13.924 7.850 54 H ARG 7 HN ARG 7 48.763 8.704 4.943 55 HA ARG 7 HA ARG 7 51.347 9.384 5.981 56 HB2 ARG 7 HB2 ARG 7 51.083 7.637 7.678 57 HB3 ARG 7 HB1 ARG 7 50.507 6.481 6.455 58 HG2 ARG 7 HG2 ARG 7 52.668 6.385 5.400 59 HG3 ARG 7 HG1 ARG 7 53.255 7.787 6.327 60 HD2 ARG 7 HD2 ARG 7 52.436 5.109 7.538 61 HD3 ARG 7 HD1 ARG 7 54.114 5.622 7.235 62 HE ARG 7 HE ARG 7 52.460 6.474 9.458 63 HH11 ARG 7 HH11 ARG 7 52.700 9.133 8.718 64 HH12 ARG 7 HH12 ARG 7 54.325 9.605 9.088 65 HH21 ARG 7 HH21 ARG 7 55.507 6.352 9.292 66 HH22 ARG 7 HH22 ARG 7 55.913 8.031 9.413 67 H LYS 8 HN LYS 8 49.062 7.816 4.186 68 HA LYS 8 HA LYS 8 49.448 8.281 1.709 69 HB2 LYS 8 HB2 LYS 8 50.887 6.748 0.561 70 HB3 LYS 8 HB1 LYS 8 51.833 7.801 1.623 71 HG2 LYS 8 HG2 LYS 8 51.426 5.707 3.352 72 HG3 LYS 8 HG1 LYS 8 51.366 4.825 1.813 73 HD2 LYS 8 HD2 LYS 8 53.566 5.751 1.176 74 HD3 LYS 8 HD1 LYS 8 53.636 6.652 2.710 75 HE2 LYS 8 HE2 LYS 8 53.537 4.536 3.977 76 HE3 LYS 8 HE1 LYS 8 53.426 3.619 2.456 77 HZ1 LYS 8 HZ1 LYS 8 55.718 4.020 3.631 78 HZ2 LYS 8 HZ2 LYS 8 55.654 5.504 2.804 79 HZ3 LYS 8 HZ3 LYS 8 55.594 4.042 1.940 80 H LYS 9 HN LYS 9 47.341 7.524 2.893 81 HA LYS 9 HA LYS 9 46.676 4.774 2.980 82 HB2 LYS 9 HB2 LYS 9 45.205 6.795 3.605 83 HB3 LYS 9 HB1 LYS 9 44.838 6.923 1.868 84 HG2 LYS 9 HG2 LYS 9 44.209 4.384 2.041 85 HG3 LYS 9 HG1 LYS 9 44.163 4.670 3.796 86 HD2 LYS 9 HD2 LYS 9 42.525 6.120 1.669 87 HD3 LYS 9 HD1 LYS 9 41.916 4.965 2.877 88 HE2 LYS 9 HE2 LYS 9 43.048 7.747 3.351 89 HE3 LYS 9 HE1 LYS 9 41.426 7.137 3.757 90 HZ1 LYS 9 HZ1 LYS 9 42.618 7.092 5.752 91 HZ2 LYS 9 HZ2 LYS 9 44.020 6.462 5.026 92 HZ3 LYS 9 HZ3 LYS 9 42.647 5.482 5.220 93 H LEU 10 HN LEU 10 47.621 6.846 0.638 94 HA LEU 10 HA LEU 10 48.524 5.647 -1.432 95 HB2 LEU 10 HB2 LEU 10 45.520 5.150 -1.555 96 HB3 LEU 10 HB1 LEU 10 46.411 5.419 -3.061 97 HG LEU 10 HG LEU 10 47.520 3.391 -1.088 98 HD11 LEU 10 HD11 LEU 10 45.175 2.726 -1.254 99 HD12 LEU 10 HD12 LEU 10 46.159 1.626 -2.249 100 HD13 LEU 10 HD13 LEU 10 45.208 2.918 -3.022 101 HD21 LEU 10 HD21 LEU 10 48.278 2.321 -3.187 102 HD22 LEU 10 HD22 LEU 10 48.806 4.019 -3.118 103 HD23 LEU 10 HD23 LEU 10 47.420 3.558 -4.135 104 H LYS 11 HN LYS 11 48.504 8.064 -0.021 105 HA LYS 11 HA LYS 11 48.760 10.187 -1.648 106 HB2 LYS 11 HB2 LYS 11 46.585 11.313 -2.020 107 HB3 LYS 11 HB1 LYS 11 46.590 9.799 -2.922 108 HG2 LYS 11 HG2 LYS 11 45.464 8.822 -0.697 109 HG3 LYS 11 HG1 LYS 11 45.104 10.526 -0.375 110 HD2 LYS 11 HD2 LYS 11 44.359 9.121 -2.978 111 HD3 LYS 11 HD1 LYS 11 43.267 9.258 -1.583 112 HE2 LYS 11 HE2 LYS 11 43.534 11.752 -1.670 113 HE3 LYS 11 HE1 LYS 11 44.509 11.563 -3.146 114 HZ1 LYS 11 HZ1 LYS 11 41.640 11.248 -2.755 115 HZ2 LYS 11 HZ2 LYS 11 42.376 10.112 -3.782 116 HZ3 LYS 11 HZ3 LYS 11 42.502 11.773 -4.118 117 H ASN 12 HN ASN 12 46.442 9.399 1.080 118 HA ASN 12 HA ASN 12 46.419 10.758 3.074 119 HB2 ASN 12 HB2 ASN 12 48.629 9.703 3.330 120 HB3 ASN 12 HB1 ASN 12 49.408 10.848 2.152 121 HD21 ASN 12 HD21 ASN 12 50.331 10.460 4.893 122 HD22 ASN 12 HD22 ASN 12 50.044 11.966 5.769 123 H GLU 13 HN GLU 13 48.909 11.921 1.334 124 HA GLU 13 HA GLU 13 48.706 13.769 -0.331 125 HB2 GLU 13 HB2 GLU 13 47.817 14.967 2.352 126 HB3 GLU 13 HB1 GLU 13 48.949 15.929 1.387 127 HG2 GLU 13 HG2 GLU 13 47.433 15.983 -0.494 128 HG3 GLU 13 HG1 GLU 13 46.361 14.781 0.264 129 H ILE 14 HN ILE 14 50.340 11.905 -0.211 130 HA ILE 14 HA ILE 14 52.900 13.237 0.538 131 HB ILE 14 HB ILE 14 51.898 12.751 2.971 132 HG12 ILE 14 HG12 ILE 14 54.706 11.830 2.215 133 HG13 ILE 14 HG11 ILE 14 54.211 13.521 2.467 134 HG21 ILE 14 HG21 ILE 14 51.593 10.177 2.113 135 HG22 ILE 14 HG22 ILE 14 51.874 10.602 3.811 136 HG23 ILE 14 HG23 ILE 14 53.227 10.061 2.794 137 HD11 ILE 14 HD1 ILE 14 54.305 11.273 4.513 138 HD12 ILE 14 HD2 ILE 14 53.410 12.785 4.801 139 HD13 ILE 14 HD3 ILE 14 55.171 12.828 4.543 140 H LYS 15 HN LYS 15 51.417 11.953 -1.243 141 HA LYS 15 HA LYS 15 53.032 9.681 -2.100 142 HB2 LYS 15 HB2 LYS 15 51.576 8.963 -0.343 143 HB3 LYS 15 HB1 LYS 15 50.357 10.117 -1.059 144 HG2 LYS 15 HG2 LYS 15 49.982 7.504 -1.441 145 HG3 LYS 15 HG1 LYS 15 49.977 8.476 -2.921 146 HD2 LYS 15 HD2 LYS 15 52.315 7.822 -3.356 147 HD3 LYS 15 HD1 LYS 15 52.395 6.989 -1.791 148 HE2 LYS 15 HE2 LYS 15 50.739 5.365 -2.491 149 HE3 LYS 15 HE1 LYS 15 50.421 6.266 -3.993 150 HZ1 LYS 15 HZ1 LYS 15 51.880 4.544 -4.580 151 HZ2 LYS 15 HZ2 LYS 15 52.873 4.782 -3.223 152 HZ3 LYS 15 HZ3 LYS 15 52.866 5.921 -4.485 153 H LYS 16 HN LYS 16 50.799 11.934 -2.132 154 HA LYS 16 HA LYS 16 50.060 11.981 -5.036 155 HB2 LYS 16 HB2 LYS 16 48.401 11.153 -3.538 156 HB3 LYS 16 HB1 LYS 16 49.185 12.303 -2.358 157 HG2 LYS 16 HG2 LYS 16 47.079 13.424 -2.864 158 HG3 LYS 16 HG1 LYS 16 48.159 14.166 -4.049 159 HD2 LYS 16 HD2 LYS 16 47.418 12.576 -5.774 160 HD3 LYS 16 HD1 LYS 16 46.370 11.760 -4.589 161 HE2 LYS 16 HE2 LYS 16 45.113 13.880 -4.254 162 HE3 LYS 16 HE1 LYS 16 46.142 14.671 -5.472 163 HZ1 LYS 16 HZ1 LYS 16 44.322 12.355 -5.907 164 HZ2 LYS 16 HZ2 LYS 16 45.396 12.965 -7.074 165 HZ3 LYS 16 HZ3 LYS 16 44.121 13.930 -6.499 166 H LYS 17 HN LYS 17 50.666 12.808 -1.724 167 HA LYS 17 HA LYS 17 51.471 15.668 -2.838 168 HB2 LYS 17 HB2 LYS 17 50.199 15.554 -0.495 169 HB3 LYS 17 HB1 LYS 17 51.828 15.158 0.072 170 HG2 LYS 17 HG2 LYS 17 51.859 17.488 0.232 171 HG3 LYS 17 HG1 LYS 17 52.545 17.232 -1.387 172 HD2 LYS 17 HD2 LYS 17 50.362 17.683 -2.423 173 HD3 LYS 17 HD1 LYS 17 49.594 17.800 -0.821 174 HE2 LYS 17 HE2 LYS 17 51.898 19.588 -1.693 175 HE3 LYS 17 HE1 LYS 17 50.187 20.029 -1.906 176 HZ1 LYS 17 HZ1 LYS 17 49.966 19.534 0.558 177 HZ2 LYS 17 HZ2 LYS 17 50.819 20.943 0.139 178 HZ3 LYS 17 HZ3 LYS 17 51.662 19.550 0.624 179 H TRP 18 HN TRP 18 51.838 12.614 -3.104 180 HA TRP 18 HA TRP 18 54.786 13.244 -3.353 181 HB2 TRP 18 HB2 TRP 18 54.643 12.453 -0.865 182 HB3 TRP 18 HB1 TRP 18 54.627 10.835 -1.582 183 HD1 TRP 18 HD1 TRP 18 56.778 13.924 -1.160 184 HE1 TRP 18 HE1 TRP 18 59.246 13.373 -1.764 185 HE3 TRP 18 HE3 TRP 18 56.127 9.182 -2.988 186 HZ2 TRP 18 HZ2 TRP 18 60.707 11.161 -2.882 187 HZ3 TRP 18 HZ3 TRP 18 58.075 7.871 -3.813 188 HH2 TRP 18 HH2 TRP 18 60.363 8.854 -3.759 189 H ARG 19 HN ARG 19 52.301 12.412 -4.737 190 HA ARG 19 HA ARG 19 53.421 10.060 -6.041 191 HB2 ARG 19 HB2 ARG 19 50.795 10.029 -5.873 192 HB3 ARG 19 HB1 ARG 19 50.886 11.284 -7.099 193 HG2 ARG 19 HG2 ARG 19 52.301 9.640 -8.469 194 HG3 ARG 19 HG1 ARG 19 51.848 8.410 -7.271 195 HD2 ARG 19 HD2 ARG 19 49.877 10.084 -8.888 196 HD3 ARG 19 HD1 ARG 19 50.327 8.400 -9.246 197 HE ARG 19 HE ARG 19 49.460 8.445 -6.557 198 HH11 ARG 19 HH11 ARG 19 48.318 8.846 -9.779 199 HH12 ARG 19 HH12 ARG 19 46.661 8.548 -9.373 200 HH21 ARG 19 HH21 ARG 19 47.282 8.181 -5.982 201 HH22 ARG 19 HH22 ARG 19 46.074 8.172 -7.223 202 H LYS 20 HN LYS 20 54.804 12.121 -5.715 203 HA LYS 20 HA LYS 20 56.207 13.339 -7.411 204 HB2 LYS 20 HB2 LYS 20 53.589 13.861 -8.230 205 HB3 LYS 20 HB1 LYS 20 54.994 14.626 -9.050 206 HG2 LYS 20 HG2 LYS 20 54.959 11.599 -9.226 207 HG3 LYS 20 HG1 LYS 20 53.745 12.441 -10.219 208 HD2 LYS 20 HD2 LYS 20 56.637 13.362 -10.255 209 HD3 LYS 20 HD1 LYS 20 56.143 11.953 -11.216 210 HE2 LYS 20 HE2 LYS 20 54.367 13.351 -12.300 211 HE3 LYS 20 HE1 LYS 20 54.962 14.764 -11.396 212 HZ1 LYS 20 HZ1 LYS 20 56.014 13.544 -13.754 213 HZ2 LYS 20 HZ2 LYS 20 57.196 13.653 -12.538 214 HZ3 LYS 20 HZ3 LYS 20 56.381 15.048 -13.063 215 H ALA 21 HN ALA 21 54.323 13.294 -5.123 216 HA ALA 21 HA ALA 21 53.522 14.926 -4.124 217 HB1 ALA 21 HB1 ALA 21 55.711 16.262 -4.387 218 HB2 ALA 21 HB2 ALA 21 54.354 16.945 -3.488 219 HB3 ALA 21 HB3 ALA 21 54.532 17.285 -5.208 220 H VAL 22 HN VAL 22 52.639 13.286 -5.679 221 HA VAL 22 HA VAL 22 51.438 13.436 -7.618 222 HB VAL 22 HB VAL 22 49.389 13.863 -6.040 223 HG11 VAL 22 HG11 VAL 22 49.512 16.625 -7.306 224 HG12 VAL 22 HG12 VAL 22 50.057 16.300 -5.650 225 HG13 VAL 22 HG13 VAL 22 48.358 16.037 -6.091 226 HG21 VAL 22 HG21 VAL 22 47.859 13.940 -7.816 227 HG22 VAL 22 HG22 VAL 22 49.318 13.256 -8.563 228 HG23 VAL 22 HG23 VAL 22 48.905 14.965 -8.816 229 H ILE 23 HN ILE 23 53.597 15.354 -6.860 230 HA ILE 23 HA ILE 23 53.366 16.512 -9.736 231 HB ILE 23 HB ILE 23 51.662 18.012 -8.341 232 HG12 ILE 23 HG12 ILE 23 53.715 19.156 -10.291 233 HG13 ILE 23 HG11 ILE 23 52.210 18.316 -10.729 234 HG21 ILE 23 HG21 ILE 23 52.574 19.993 -7.362 235 HG22 ILE 23 HG22 ILE 23 54.215 19.614 -7.935 236 HG23 ILE 23 HG23 ILE 23 53.471 18.644 -6.655 237 HD11 ILE 23 HD1 ILE 23 52.563 21.052 -9.466 238 HD12 ILE 23 HD2 ILE 23 51.036 20.158 -9.266 239 HD13 ILE 23 HD3 ILE 23 51.608 20.594 -10.894 240 H ALA 24 HN ALA 24 54.971 16.552 -6.644 241 HA ALA 24 HA ALA 24 57.389 17.112 -8.007 242 HB1 ALA 24 HB1 ALA 24 58.075 18.638 -6.265 243 HB2 ALA 24 HB2 ALA 24 56.537 18.123 -5.508 244 HB3 ALA 24 HB3 ALA 24 56.505 19.125 -6.977 245 H TRP 25 HN TRP 25 55.884 15.448 -6.407 246 HA TRP 25 HA TRP 25 56.499 13.518 -4.846 247 HB2 TRP 25 HB2 TRP 25 58.957 12.605 -5.076 248 HB3 TRP 25 HB1 TRP 25 57.833 12.341 -6.401 249 HD1 TRP 25 HD1 TRP 25 58.114 14.058 -8.550 250 HE1 TRP 25 HE1 TRP 25 60.236 15.194 -9.519 251 HE3 TRP 25 HE3 TRP 25 61.211 13.578 -4.497 252 HZ2 TRP 25 HZ2 TRP 25 62.904 15.795 -8.634 253 HZ3 TRP 25 HZ3 TRP 25 63.542 14.440 -4.587 254 HH2 TRP 25 HH2 TRP 25 64.393 15.546 -6.651 Start of MODEL 7 1 H1 ALA 1 HT1 ALA 1 46.116 4.382 13.854 2 H2 ALA 1 HT2 ALA 1 45.268 3.752 12.523 3 H3 ALA 1 HT3 ALA 1 46.291 5.094 12.327 4 HA ALA 1 HA ALA 1 47.707 2.966 13.486 5 HB1 ALA 1 HB1 ALA 1 46.232 2.415 10.889 6 HB2 ALA 1 HB2 ALA 1 46.103 1.506 12.414 7 HB3 ALA 1 HB3 ALA 1 47.619 1.469 11.479 8 H GLY 2 HN GLY 2 47.782 3.047 10.049 9 HA2 GLY 2 HA1 GLY 2 49.105 5.395 9.396 10 HA3 GLY 2 HA2 GLY 2 50.375 4.369 10.090 11 H LYS 3 HN LYS 3 49.628 1.856 9.226 12 HA LYS 3 HA LYS 3 50.777 1.701 6.676 13 HB2 LYS 3 HB2 LYS 3 49.784 -0.560 6.538 14 HB3 LYS 3 HB1 LYS 3 50.462 -0.243 8.153 15 HG2 LYS 3 HG2 LYS 3 48.141 0.453 8.900 16 HG3 LYS 3 HG1 LYS 3 47.532 -0.117 7.327 17 HD2 LYS 3 HD2 LYS 3 48.444 -2.375 7.788 18 HD3 LYS 3 HD1 LYS 3 49.049 -1.807 9.363 19 HE2 LYS 3 HE2 LYS 3 46.121 -1.717 8.519 20 HE3 LYS 3 HE1 LYS 3 46.839 -3.007 9.514 21 HZ1 LYS 3 HZ1 LYS 3 46.953 -0.120 10.221 22 HZ2 LYS 3 HZ2 LYS 3 47.385 -1.442 11.197 23 HZ3 LYS 3 HZ3 LYS 3 45.756 -1.178 10.791 24 H GLU 4 HN GLU 4 47.567 2.676 7.561 25 HA GLU 4 HA GLU 4 46.976 3.463 4.840 26 HB2 GLU 4 HB2 GLU 4 46.568 0.940 4.783 27 HB3 GLU 4 HB1 GLU 4 45.231 1.219 5.924 28 HG2 GLU 4 HG2 GLU 4 44.209 2.818 4.308 29 HG3 GLU 4 HG1 GLU 4 45.529 2.485 3.161 30 H LYS 5 HN LYS 5 46.881 5.338 6.312 31 HA LYS 5 HA LYS 5 44.094 5.914 6.973 32 HB2 LYS 5 HB2 LYS 5 44.874 4.651 9.006 33 HB3 LYS 5 HB1 LYS 5 46.117 5.902 9.248 34 HG2 LYS 5 HG2 LYS 5 44.375 7.633 9.426 35 HG3 LYS 5 HG1 LYS 5 43.112 6.414 9.124 36 HD2 LYS 5 HD2 LYS 5 43.864 5.177 11.166 37 HD3 LYS 5 HD1 LYS 5 45.040 6.474 11.488 38 HE2 LYS 5 HE2 LYS 5 43.052 6.913 12.816 39 HE3 LYS 5 HE1 LYS 5 43.116 8.113 11.504 40 HZ1 LYS 5 HZ1 LYS 5 40.915 6.911 11.937 41 HZ2 LYS 5 HZ2 LYS 5 41.636 5.570 11.182 42 HZ3 LYS 5 HZ3 LYS 5 41.447 7.029 10.331 43 H ILE 6 HN ILE 6 47.524 6.773 7.397 44 HA ILE 6 HA ILE 6 47.270 9.226 5.963 45 HB ILE 6 HB ILE 6 46.042 10.113 7.865 46 HG12 ILE 6 HG12 ILE 6 48.927 11.090 8.097 47 HG13 ILE 6 HG11 ILE 6 47.835 11.524 6.763 48 HG21 ILE 6 HG21 ILE 6 48.351 9.544 9.757 49 HG22 ILE 6 HG22 ILE 6 47.101 8.314 9.474 50 HG23 ILE 6 HG23 ILE 6 46.651 9.903 10.128 51 HD11 ILE 6 HD1 ILE 6 46.195 12.396 8.475 52 HD12 ILE 6 HD2 ILE 6 47.735 13.288 8.434 53 HD13 ILE 6 HD3 ILE 6 47.426 12.105 9.727 54 H ARG 7 HN ARG 7 49.055 8.566 4.923 55 HA ARG 7 HA ARG 7 51.625 9.297 5.922 56 HB2 ARG 7 HB2 ARG 7 51.583 7.430 7.499 57 HB3 ARG 7 HB1 ARG 7 50.962 6.326 6.250 58 HG2 ARG 7 HG2 ARG 7 53.040 6.396 5.033 59 HG3 ARG 7 HG1 ARG 7 53.643 7.753 6.016 60 HD2 ARG 7 HD2 ARG 7 53.591 6.276 8.032 61 HD3 ARG 7 HD1 ARG 7 53.075 4.921 7.000 62 HE ARG 7 HE ARG 7 55.398 5.823 5.783 63 HH11 ARG 7 HH11 ARG 7 55.207 3.169 7.183 64 HH12 ARG 7 HH12 ARG 7 56.450 3.306 8.380 65 HH21 ARG 7 HH21 ARG 7 56.704 6.753 8.103 66 HH22 ARG 7 HH22 ARG 7 57.297 5.336 8.902 67 H LYS 8 HN LYS 8 49.300 7.839 4.166 68 HA LYS 8 HA LYS 8 50.139 8.557 1.671 69 HB2 LYS 8 HB2 LYS 8 50.534 6.288 0.644 70 HB3 LYS 8 HB1 LYS 8 51.891 6.938 1.594 71 HG2 LYS 8 HG2 LYS 8 50.731 5.543 3.580 72 HG3 LYS 8 HG1 LYS 8 50.033 4.626 2.226 73 HD2 LYS 8 HD2 LYS 8 52.329 4.266 1.316 74 HD3 LYS 8 HD1 LYS 8 53.000 5.112 2.732 75 HE2 LYS 8 HE2 LYS 8 52.092 3.436 4.241 76 HE3 LYS 8 HE1 LYS 8 51.208 2.652 2.911 77 HZ1 LYS 8 HZ1 LYS 8 54.155 2.974 2.845 78 HZ2 LYS 8 HZ2 LYS 8 53.183 1.909 1.946 79 HZ3 LYS 8 HZ3 LYS 8 53.426 1.646 3.607 80 H LYS 9 HN LYS 9 48.733 5.484 2.984 81 HA LYS 9 HA LYS 9 46.544 4.697 2.722 82 HB2 LYS 9 HB2 LYS 9 46.200 7.045 3.832 83 HB3 LYS 9 HB1 LYS 9 45.664 7.539 2.216 84 HG2 LYS 9 HG2 LYS 9 44.010 5.635 2.241 85 HG3 LYS 9 HG1 LYS 9 44.477 5.312 3.929 86 HD2 LYS 9 HD2 LYS 9 43.784 7.580 4.583 87 HD3 LYS 9 HD1 LYS 9 43.377 7.962 2.893 88 HE2 LYS 9 HE2 LYS 9 41.333 7.360 4.106 89 HE3 LYS 9 HE1 LYS 9 41.708 6.094 2.912 90 HZ1 LYS 9 HZ1 LYS 9 42.848 5.789 5.586 91 HZ2 LYS 9 HZ2 LYS 9 42.245 4.613 4.518 92 HZ3 LYS 9 HZ3 LYS 9 41.175 5.556 5.440 93 H LEU 10 HN LEU 10 48.405 6.041 0.603 94 HA LEU 10 HA LEU 10 48.629 5.613 -1.693 95 HB2 LEU 10 HB2 LEU 10 46.450 4.111 -1.454 96 HB3 LEU 10 HB1 LEU 10 45.611 5.558 -2.051 97 HG LEU 10 HG LEU 10 47.493 5.525 -3.941 98 HD11 LEU 10 HD11 LEU 10 48.120 3.170 -4.538 99 HD12 LEU 10 HD12 LEU 10 47.443 2.622 -2.988 100 HD13 LEU 10 HD13 LEU 10 48.855 3.704 -3.011 101 HD21 LEU 10 HD21 LEU 10 45.180 3.534 -3.841 102 HD22 LEU 10 HD22 LEU 10 46.036 4.030 -5.322 103 HD23 LEU 10 HD23 LEU 10 45.098 5.225 -4.392 104 H LYS 11 HN LYS 11 48.504 8.027 -0.031 105 HA LYS 11 HA LYS 11 48.624 10.223 -1.638 106 HB2 LYS 11 HB2 LYS 11 46.229 11.164 -1.663 107 HB3 LYS 11 HB1 LYS 11 46.496 9.895 -2.858 108 HG2 LYS 11 HG2 LYS 11 44.788 8.650 -1.945 109 HG3 LYS 11 HG1 LYS 11 45.592 8.652 -0.362 110 HD2 LYS 11 HD2 LYS 11 44.570 10.831 0.176 111 HD3 LYS 11 HD1 LYS 11 43.802 10.881 -1.430 112 HE2 LYS 11 HE2 LYS 11 42.454 8.936 -0.931 113 HE3 LYS 11 HE1 LYS 11 43.352 8.632 0.576 114 HZ1 LYS 11 HZ1 LYS 11 41.473 10.841 -0.038 115 HZ2 LYS 11 HZ2 LYS 11 42.586 10.950 1.241 116 HZ3 LYS 11 HZ3 LYS 11 41.411 9.723 1.236 117 H ASN 12 HN ASN 12 46.296 9.428 1.109 118 HA ASN 12 HA ASN 12 46.369 10.701 3.144 119 HB2 ASN 12 HB2 ASN 12 48.636 9.653 3.261 120 HB3 ASN 12 HB1 ASN 12 49.354 10.942 2.207 121 HD21 ASN 12 HD21 ASN 12 50.267 10.384 4.928 122 HD22 ASN 12 HD22 ASN 12 49.868 11.793 5.916 123 H GLU 13 HN GLU 13 48.753 11.890 1.283 124 HA GLU 13 HA GLU 13 48.523 13.692 -0.383 125 HB2 GLU 13 HB2 GLU 13 47.628 14.983 2.265 126 HB3 GLU 13 HB1 GLU 13 48.655 15.934 1.180 127 HG2 GLU 13 HG2 GLU 13 47.049 15.690 -0.646 128 HG3 GLU 13 HG1 GLU 13 46.047 14.595 0.338 129 H ILE 14 HN ILE 14 50.223 11.932 -0.210 130 HA ILE 14 HA ILE 14 52.728 13.334 0.499 131 HB ILE 14 HB ILE 14 51.719 12.966 2.974 132 HG12 ILE 14 HG12 ILE 14 54.578 12.183 2.269 133 HG13 ILE 14 HG11 ILE 14 53.974 13.850 2.425 134 HG21 ILE 14 HG21 ILE 14 53.212 10.361 2.953 135 HG22 ILE 14 HG22 ILE 14 51.561 10.337 2.308 136 HG23 ILE 14 HG23 ILE 14 51.853 10.889 3.967 137 HD11 ILE 14 HD1 ILE 14 54.209 11.732 4.596 138 HD12 ILE 14 HD2 ILE 14 53.220 13.199 4.799 139 HD13 ILE 14 HD3 ILE 14 54.974 13.336 4.534 140 H LYS 15 HN LYS 15 51.344 11.970 -1.241 141 HA LYS 15 HA LYS 15 52.977 9.674 -1.918 142 HB2 LYS 15 HB2 LYS 15 51.464 9.006 -0.186 143 HB3 LYS 15 HB1 LYS 15 50.252 10.079 -1.025 144 HG2 LYS 15 HG2 LYS 15 50.003 7.444 -1.287 145 HG3 LYS 15 HG1 LYS 15 50.015 8.352 -2.809 146 HD2 LYS 15 HD2 LYS 15 52.354 7.762 -3.173 147 HD3 LYS 15 HD1 LYS 15 52.486 7.090 -1.536 148 HE2 LYS 15 HE2 LYS 15 52.186 5.380 -3.412 149 HE3 LYS 15 HE1 LYS 15 51.023 5.262 -2.070 150 HZ1 LYS 15 HZ1 LYS 15 50.169 7.069 -4.130 151 HZ2 LYS 15 HZ2 LYS 15 49.344 5.766 -3.419 152 HZ3 LYS 15 HZ3 LYS 15 50.405 5.496 -4.717 153 H LYS 16 HN LYS 16 50.640 11.810 -2.105 154 HA LYS 16 HA LYS 16 50.122 11.762 -5.063 155 HB2 LYS 16 HB2 LYS 16 48.318 11.106 -3.577 156 HB3 LYS 16 HB1 LYS 16 49.080 12.369 -2.496 157 HG2 LYS 16 HG2 LYS 16 48.236 14.148 -4.173 158 HG3 LYS 16 HG1 LYS 16 47.497 12.859 -5.139 159 HD2 LYS 16 HD2 LYS 16 45.846 12.422 -3.498 160 HD3 LYS 16 HD1 LYS 16 46.731 13.333 -2.243 161 HE2 LYS 16 HE2 LYS 16 44.809 14.636 -3.101 162 HE3 LYS 16 HE1 LYS 16 46.347 15.429 -3.515 163 HZ1 LYS 16 HZ1 LYS 16 46.014 13.847 -5.631 164 HZ2 LYS 16 HZ2 LYS 16 45.436 15.443 -5.559 165 HZ3 LYS 16 HZ3 LYS 16 44.389 14.143 -5.244 166 H LYS 17 HN LYS 17 50.531 12.758 -1.747 167 HA LYS 17 HA LYS 17 51.356 15.572 -2.943 168 HB2 LYS 17 HB2 LYS 17 49.991 15.480 -0.645 169 HB3 LYS 17 HB1 LYS 17 51.615 15.189 -0.002 170 HG2 LYS 17 HG2 LYS 17 51.533 17.522 0.062 171 HG3 LYS 17 HG1 LYS 17 52.278 17.241 -1.528 172 HD2 LYS 17 HD2 LYS 17 50.059 17.484 -2.616 173 HD3 LYS 17 HD1 LYS 17 49.301 17.720 -1.024 174 HE2 LYS 17 HE2 LYS 17 50.718 19.729 -0.657 175 HE3 LYS 17 HE1 LYS 17 51.440 19.503 -2.270 176 HZ1 LYS 17 HZ1 LYS 17 48.663 20.244 -1.566 177 HZ2 LYS 17 HZ2 LYS 17 49.016 19.536 -3.070 178 HZ3 LYS 17 HZ3 LYS 17 49.735 21.011 -2.633 179 H TRP 18 HN TRP 18 51.790 12.551 -3.091 180 HA TRP 18 HA TRP 18 54.763 13.228 -3.259 181 HB2 TRP 18 HB2 TRP 18 54.480 12.489 -0.764 182 HB3 TRP 18 HB1 TRP 18 54.541 10.861 -1.440 183 HD1 TRP 18 HD1 TRP 18 56.806 10.162 -2.704 184 HE1 TRP 18 HE1 TRP 18 59.247 11.002 -2.397 185 HE3 TRP 18 HE3 TRP 18 55.854 14.542 -0.236 186 HZ2 TRP 18 HZ2 TRP 18 60.576 13.282 -1.244 187 HZ3 TRP 18 HZ3 TRP 18 57.722 16.035 0.459 188 HH2 TRP 18 HH2 TRP 18 60.080 15.408 -0.041 189 H ARG 19 HN ARG 19 52.304 12.301 -4.720 190 HA ARG 19 HA ARG 19 53.553 9.949 -5.911 191 HB2 ARG 19 HB2 ARG 19 50.929 9.856 -5.830 192 HB3 ARG 19 HB1 ARG 19 51.040 11.054 -7.118 193 HG2 ARG 19 HG2 ARG 19 52.521 9.371 -8.358 194 HG3 ARG 19 HG1 ARG 19 52.075 8.197 -7.102 195 HD2 ARG 19 HD2 ARG 19 50.283 9.565 -9.132 196 HD3 ARG 19 HD1 ARG 19 50.485 7.824 -8.821 197 HE ARG 19 HE ARG 19 48.666 9.590 -7.421 198 HH11 ARG 19 HH11 ARG 19 48.326 9.116 -5.135 199 HH12 ARG 19 HH12 ARG 19 48.552 7.470 -4.642 200 HH21 ARG 19 HH21 ARG 19 50.027 6.501 -7.627 201 HH22 ARG 19 HH22 ARG 19 49.515 5.991 -6.054 202 H LYS 20 HN LYS 20 54.777 12.132 -5.592 203 HA LYS 20 HA LYS 20 56.238 13.242 -7.320 204 HB2 LYS 20 HB2 LYS 20 53.553 13.565 -8.279 205 HB3 LYS 20 HB1 LYS 20 54.954 14.622 -8.788 206 HG2 LYS 20 HG2 LYS 20 56.021 12.906 -10.039 207 HG3 LYS 20 HG1 LYS 20 55.116 11.599 -9.251 208 HD2 LYS 20 HD2 LYS 20 53.014 12.553 -10.371 209 HD3 LYS 20 HD1 LYS 20 54.099 13.606 -11.306 210 HE2 LYS 20 HE2 LYS 20 55.344 11.520 -12.044 211 HE3 LYS 20 HE1 LYS 20 54.049 10.562 -11.288 212 HZ1 LYS 20 HZ1 LYS 20 54.053 11.961 -13.781 213 HZ2 LYS 20 HZ2 LYS 20 52.745 12.435 -12.807 214 HZ3 LYS 20 HZ3 LYS 20 52.966 10.797 -13.199 215 H ALA 21 HN ALA 21 54.354 13.257 -5.041 216 HA ALA 21 HA ALA 21 53.574 14.917 -4.102 217 HB1 ALA 21 HB1 ALA 21 54.518 17.249 -5.248 218 HB2 ALA 21 HB2 ALA 21 55.727 16.277 -4.401 219 HB3 ALA 21 HB3 ALA 21 54.360 16.960 -3.518 220 H VAL 22 HN VAL 22 52.704 13.170 -5.645 221 HA VAL 22 HA VAL 22 51.582 13.260 -7.602 222 HB VAL 22 HB VAL 22 49.463 13.622 -6.128 223 HG11 VAL 22 HG11 VAL 22 50.063 16.073 -5.692 224 HG12 VAL 22 HG12 VAL 22 48.378 15.764 -6.161 225 HG13 VAL 22 HG13 VAL 22 49.533 16.402 -7.353 226 HG21 VAL 22 HG21 VAL 22 49.527 13.087 -8.699 227 HG22 VAL 22 HG22 VAL 22 48.968 14.763 -8.880 228 HG23 VAL 22 HG23 VAL 22 48.004 13.603 -7.947 229 H ILE 23 HN ILE 23 53.636 15.284 -6.845 230 HA ILE 23 HA ILE 23 53.392 16.404 -9.741 231 HB ILE 23 HB ILE 23 51.599 17.825 -8.361 232 HG12 ILE 23 HG12 ILE 23 53.590 19.041 -10.332 233 HG13 ILE 23 HG11 ILE 23 52.125 18.123 -10.752 234 HG21 ILE 23 HG21 ILE 23 54.057 19.575 -7.986 235 HG22 ILE 23 HG22 ILE 23 53.382 18.576 -6.686 236 HG23 ILE 23 HG23 ILE 23 52.401 19.859 -7.403 237 HD11 ILE 23 HD1 ILE 23 52.346 20.888 -9.521 238 HD12 ILE 23 HD2 ILE 23 50.862 19.925 -9.320 239 HD13 ILE 23 HD3 ILE 23 51.421 20.372 -10.949 240 H ALA 24 HN ALA 24 54.978 16.510 -6.659 241 HA ALA 24 HA ALA 24 57.347 17.242 -8.006 242 HB1 ALA 24 HB1 ALA 24 57.976 18.790 -6.276 243 HB2 ALA 24 HB2 ALA 24 56.493 18.198 -5.472 244 HB3 ALA 24 HB3 ALA 24 56.364 19.199 -6.936 245 H TRP 25 HN TRP 25 55.916 15.519 -6.399 246 HA TRP 25 HA TRP 25 56.709 13.440 -5.078 247 HB2 TRP 25 HB2 TRP 25 58.477 13.429 -7.020 248 HB3 TRP 25 HB1 TRP 25 59.568 14.163 -5.842 249 HD1 TRP 25 HD1 TRP 25 60.328 12.727 -3.772 250 HE1 TRP 25 HE1 TRP 25 60.410 10.168 -3.333 251 HE3 TRP 25 HE3 TRP 25 57.216 11.143 -7.528 252 HZ2 TRP 25 HZ2 TRP 25 59.273 7.787 -4.466 253 HZ3 TRP 25 HZ3 TRP 25 56.732 8.724 -7.825 254 HH2 TRP 25 HH2 TRP 25 57.759 7.044 -6.301 Start of MODEL 8 1 H1 ALA 1 HT1 ALA 1 46.671 3.625 16.135 2 H2 ALA 1 HT2 ALA 1 45.897 4.410 14.841 3 H3 ALA 1 HT3 ALA 1 47.459 4.882 15.315 4 HA ALA 1 HA ALA 1 48.170 2.551 14.788 5 HB1 ALA 1 HB1 ALA 1 46.723 1.469 13.063 6 HB2 ALA 1 HB2 ALA 1 45.472 2.691 13.398 7 HB3 ALA 1 HB3 ALA 1 45.966 1.548 14.670 8 H GLY 2 HN GLY 2 46.139 4.454 12.507 9 HA2 GLY 2 HA1 GLY 2 46.737 5.656 10.626 10 HA3 GLY 2 HA2 GLY 2 48.302 5.946 11.412 11 H LYS 3 HN LYS 3 47.076 2.717 10.711 12 HA LYS 3 HA LYS 3 49.482 2.060 9.234 13 HB2 LYS 3 HB2 LYS 3 48.027 0.469 10.604 14 HB3 LYS 3 HB1 LYS 3 46.870 0.503 9.252 15 HG2 LYS 3 HG2 LYS 3 48.831 -0.157 7.732 16 HG3 LYS 3 HG1 LYS 3 49.755 -0.472 9.219 17 HD2 LYS 3 HD2 LYS 3 47.938 -2.039 9.963 18 HD3 LYS 3 HD1 LYS 3 47.132 -1.792 8.395 19 HE2 LYS 3 HE2 LYS 3 48.426 -3.796 8.156 20 HE3 LYS 3 HE1 LYS 3 49.336 -2.528 7.301 21 HZ1 LYS 3 HZ1 LYS 3 50.244 -2.352 9.857 22 HZ2 LYS 3 HZ2 LYS 3 51.030 -3.158 8.583 23 HZ3 LYS 3 HZ3 LYS 3 50.040 -4.025 9.657 24 H GLU 4 HN GLU 4 46.117 2.833 8.355 25 HA GLU 4 HA GLU 4 47.028 3.450 5.588 26 HB2 GLU 4 HB2 GLU 4 44.800 1.462 6.203 27 HB3 GLU 4 HB1 GLU 4 45.181 2.120 4.594 28 HG2 GLU 4 HG2 GLU 4 47.556 1.218 4.926 29 HG3 GLU 4 HG1 GLU 4 46.931 0.351 6.351 30 H LYS 5 HN LYS 5 46.337 5.195 7.638 31 HA LYS 5 HA LYS 5 43.585 6.141 6.822 32 HB2 LYS 5 HB2 LYS 5 45.108 6.969 9.321 33 HB3 LYS 5 HB1 LYS 5 43.377 7.168 8.960 34 HG2 LYS 5 HG2 LYS 5 44.815 4.507 9.379 35 HG3 LYS 5 HG1 LYS 5 43.749 5.311 10.554 36 HD2 LYS 5 HD2 LYS 5 41.938 5.250 8.706 37 HD3 LYS 5 HD1 LYS 5 43.008 4.108 7.859 38 HE2 LYS 5 HE2 LYS 5 43.018 2.655 9.897 39 HE3 LYS 5 HE1 LYS 5 41.858 3.767 10.663 40 HZ1 LYS 5 HZ1 LYS 5 41.010 3.024 8.046 41 HZ2 LYS 5 HZ2 LYS 5 40.200 2.855 9.530 42 HZ3 LYS 5 HZ3 LYS 5 41.271 1.647 9.000 43 H ILE 6 HN ILE 6 46.737 7.370 8.026 44 HA ILE 6 HA ILE 6 46.875 9.264 5.769 45 HB ILE 6 HB ILE 6 47.318 11.196 7.519 46 HG12 ILE 6 HG12 ILE 6 45.530 9.323 9.146 47 HG13 ILE 6 HG11 ILE 6 47.233 9.678 9.509 48 HG21 ILE 6 HG21 ILE 6 44.444 10.226 7.198 49 HG22 ILE 6 HG22 ILE 6 45.362 11.020 5.895 50 HG23 ILE 6 HG23 ILE 6 45.007 11.901 7.395 51 HD11 ILE 6 HD1 ILE 6 44.826 11.510 9.703 52 HD12 ILE 6 HD2 ILE 6 46.455 12.197 9.490 53 HD13 ILE 6 HD3 ILE 6 46.089 11.190 10.911 54 H ARG 7 HN ARG 7 48.768 8.766 5.027 55 HA ARG 7 HA ARG 7 51.216 9.465 6.233 56 HB2 ARG 7 HB2 ARG 7 50.172 6.904 7.300 57 HB3 ARG 7 HB1 ARG 7 51.698 6.645 6.431 58 HG2 ARG 7 HG2 ARG 7 52.877 8.196 7.834 59 HG3 ARG 7 HG1 ARG 7 51.369 8.822 8.538 60 HD2 ARG 7 HD2 ARG 7 50.930 6.636 9.591 61 HD3 ARG 7 HD1 ARG 7 52.402 5.967 8.849 62 HE ARG 7 HE ARG 7 53.140 8.279 10.344 63 HH11 ARG 7 HH11 ARG 7 52.498 4.928 10.505 64 HH12 ARG 7 HH12 ARG 7 52.902 4.780 12.183 65 HH21 ARG 7 HH21 ARG 7 53.398 8.182 12.634 66 HH22 ARG 7 HH22 ARG 7 53.411 6.623 13.388 67 H LYS 8 HN LYS 8 49.040 7.867 4.387 68 HA LYS 8 HA LYS 8 50.159 8.401 1.940 69 HB2 LYS 8 HB2 LYS 8 50.333 5.833 1.270 70 HB3 LYS 8 HB1 LYS 8 51.759 6.738 1.830 71 HG2 LYS 8 HG2 LYS 8 51.791 5.726 3.947 72 HG3 LYS 8 HG1 LYS 8 50.057 5.348 3.922 73 HD2 LYS 8 HD2 LYS 8 50.418 3.577 2.273 74 HD3 LYS 8 HD1 LYS 8 52.139 4.015 2.137 75 HE2 LYS 8 HE2 LYS 8 51.922 2.083 3.624 76 HE3 LYS 8 HE1 LYS 8 52.416 3.502 4.579 77 HZ1 LYS 8 HZ1 LYS 8 50.198 1.893 4.983 78 HZ2 LYS 8 HZ2 LYS 8 49.589 3.363 4.388 79 HZ3 LYS 8 HZ3 LYS 8 50.570 3.346 5.774 80 H LYS 9 HN LYS 9 48.558 5.373 3.114 81 HA LYS 9 HA LYS 9 46.393 4.626 2.643 82 HB2 LYS 9 HB2 LYS 9 45.901 7.009 3.626 83 HB3 LYS 9 HB1 LYS 9 45.614 7.454 1.934 84 HG2 LYS 9 HG2 LYS 9 43.978 5.526 1.778 85 HG3 LYS 9 HG1 LYS 9 44.165 5.301 3.533 86 HD2 LYS 9 HD2 LYS 9 43.303 7.520 3.984 87 HD3 LYS 9 HD1 LYS 9 43.322 7.936 2.253 88 HE2 LYS 9 HE2 LYS 9 41.679 5.637 3.390 89 HE3 LYS 9 HE1 LYS 9 41.038 7.286 3.188 90 HZ1 LYS 9 HZ1 LYS 9 41.366 7.178 0.869 91 HZ2 LYS 9 HZ2 LYS 9 40.636 5.703 1.293 92 HZ3 LYS 9 HZ3 LYS 9 42.303 5.768 0.970 93 H LEU 10 HN LEU 10 48.563 5.888 0.820 94 HA LEU 10 HA LEU 10 49.177 5.517 -1.389 95 HB2 LEU 10 HB2 LEU 10 47.137 3.829 -1.477 96 HB3 LEU 10 HB1 LEU 10 46.263 5.191 -2.207 97 HG LEU 10 HG LEU 10 48.376 5.351 -3.807 98 HD11 LEU 10 HD11 LEU 10 48.534 2.476 -2.782 99 HD12 LEU 10 HD12 LEU 10 49.812 3.711 -2.708 100 HD13 LEU 10 HD13 LEU 10 49.308 3.048 -4.276 101 HD21 LEU 10 HD21 LEU 10 46.094 4.765 -4.550 102 HD22 LEU 10 HD22 LEU 10 46.340 3.085 -4.016 103 HD23 LEU 10 HD23 LEU 10 47.298 3.740 -5.366 104 H LYS 11 HN LYS 11 48.811 7.877 0.094 105 HA LYS 11 HA LYS 11 48.854 10.060 -1.615 106 HB2 LYS 11 HB2 LYS 11 46.483 10.908 -1.846 107 HB3 LYS 11 HB1 LYS 11 46.815 9.528 -2.891 108 HG2 LYS 11 HG2 LYS 11 45.030 8.424 -1.957 109 HG3 LYS 11 HG1 LYS 11 45.894 8.391 -0.409 110 HD2 LYS 11 HD2 LYS 11 43.839 9.449 0.103 111 HD3 LYS 11 HD1 LYS 11 44.980 10.803 -0.053 112 HE2 LYS 11 HE2 LYS 11 43.048 11.457 -1.303 113 HE3 LYS 11 HE1 LYS 11 44.230 10.935 -2.524 114 HZ1 LYS 11 HZ1 LYS 11 42.398 8.930 -1.410 115 HZ2 LYS 11 HZ2 LYS 11 43.076 9.037 -2.964 116 HZ3 LYS 11 HZ3 LYS 11 41.776 10.042 -2.531 117 H ASN 12 HN ASN 12 46.441 9.368 1.046 118 HA ASN 12 HA ASN 12 46.419 10.734 3.023 119 HB2 ASN 12 HB2 ASN 12 48.640 9.673 3.323 120 HB3 ASN 12 HB1 ASN 12 49.453 10.851 2.197 121 HD21 ASN 12 HD21 ASN 12 46.863 11.704 4.607 122 HD22 ASN 12 HD22 ASN 12 47.929 12.669 5.633 123 H GLU 13 HN GLU 13 48.973 11.844 1.354 124 HA GLU 13 HA GLU 13 48.776 13.696 -0.347 125 HB2 GLU 13 HB2 GLU 13 47.876 14.873 2.333 126 HB3 GLU 13 HB1 GLU 13 49.039 15.834 1.407 127 HG2 GLU 13 HG2 GLU 13 47.560 15.950 -0.499 128 HG3 GLU 13 HG1 GLU 13 46.460 14.743 0.207 129 H ILE 14 HN ILE 14 50.416 11.811 -0.202 130 HA ILE 14 HA ILE 14 52.981 13.159 0.451 131 HB ILE 14 HB ILE 14 52.100 12.755 2.920 132 HG12 ILE 14 HG12 ILE 14 54.833 11.714 2.056 133 HG13 ILE 14 HG11 ILE 14 54.410 13.425 2.312 134 HG21 ILE 14 HG21 ILE 14 52.051 10.629 3.821 135 HG22 ILE 14 HG22 ILE 14 53.309 10.006 2.731 136 HG23 ILE 14 HG23 ILE 14 51.646 10.196 2.152 137 HD11 ILE 14 HD1 ILE 14 54.528 11.191 4.374 138 HD12 ILE 14 HD2 ILE 14 53.694 12.732 4.690 139 HD13 ILE 14 HD3 ILE 14 55.440 12.719 4.349 140 H LYS 15 HN LYS 15 51.502 11.872 -1.274 141 HA LYS 15 HA LYS 15 53.077 9.592 -2.178 142 HB2 LYS 15 HB2 LYS 15 50.557 10.040 -0.905 143 HB3 LYS 15 HB1 LYS 15 50.527 8.730 -2.181 144 HG2 LYS 15 HG2 LYS 15 52.049 8.644 0.462 145 HG3 LYS 15 HG1 LYS 15 50.805 7.570 -0.146 146 HD2 LYS 15 HD2 LYS 15 52.467 6.179 -0.847 147 HD3 LYS 15 HD1 LYS 15 52.781 7.349 -2.135 148 HE2 LYS 15 HE2 LYS 15 54.513 8.438 -0.786 149 HE3 LYS 15 HE1 LYS 15 54.075 7.460 0.632 150 HZ1 LYS 15 HZ1 LYS 15 55.235 5.734 -0.128 151 HZ2 LYS 15 HZ2 LYS 15 55.974 6.830 -1.196 152 HZ3 LYS 15 HZ3 LYS 15 54.653 5.895 -1.714 153 H LYS 16 HN LYS 16 50.849 11.823 -2.127 154 HA LYS 16 HA LYS 16 50.033 11.947 -4.995 155 HB2 LYS 16 HB2 LYS 16 48.445 11.062 -3.449 156 HB3 LYS 16 HB1 LYS 16 49.253 12.198 -2.279 157 HG2 LYS 16 HG2 LYS 16 47.067 13.215 -2.700 158 HG3 LYS 16 HG1 LYS 16 48.129 14.090 -3.814 159 HD2 LYS 16 HD2 LYS 16 47.498 12.407 -5.605 160 HD3 LYS 16 HD1 LYS 16 46.288 11.758 -4.473 161 HE2 LYS 16 HE2 LYS 16 45.285 14.051 -4.299 162 HE3 LYS 16 HE1 LYS 16 46.433 14.613 -5.536 163 HZ1 LYS 16 HZ1 LYS 16 44.261 13.978 -6.461 164 HZ2 LYS 16 HZ2 LYS 16 44.486 12.389 -5.904 165 HZ3 LYS 16 HZ3 LYS 16 45.522 13.034 -7.087 166 H LYS 17 HN LYS 17 50.758 12.721 -1.691 167 HA LYS 17 HA LYS 17 51.523 15.589 -2.814 168 HB2 LYS 17 HB2 LYS 17 50.308 15.503 -0.451 169 HB3 LYS 17 HB1 LYS 17 51.947 15.094 0.089 170 HG2 LYS 17 HG2 LYS 17 52.796 17.096 -1.117 171 HG3 LYS 17 HG1 LYS 17 51.112 17.534 -1.496 172 HD2 LYS 17 HD2 LYS 17 50.568 17.777 0.849 173 HD3 LYS 17 HD1 LYS 17 52.137 17.095 1.341 174 HE2 LYS 17 HE2 LYS 17 52.170 19.558 1.525 175 HE3 LYS 17 HE1 LYS 17 53.299 19.010 0.262 176 HZ1 LYS 17 HZ1 LYS 17 52.151 20.104 -1.274 177 HZ2 LYS 17 HZ2 LYS 17 51.254 20.830 -0.027 178 HZ3 LYS 17 HZ3 LYS 17 50.677 19.422 -0.784 179 H TRP 18 HN TRP 18 51.875 12.545 -3.111 180 HA TRP 18 HA TRP 18 54.821 13.179 -3.415 181 HB2 TRP 18 HB2 TRP 18 54.707 12.340 -0.938 182 HB3 TRP 18 HB1 TRP 18 54.700 10.737 -1.686 183 HD1 TRP 18 HD1 TRP 18 56.854 10.141 -3.262 184 HE1 TRP 18 HE1 TRP 18 59.315 10.957 -3.130 185 HE3 TRP 18 HE3 TRP 18 56.179 14.261 -0.296 186 HZ2 TRP 18 HZ2 TRP 18 60.768 13.109 -1.887 187 HZ3 TRP 18 HZ3 TRP 18 58.121 15.677 0.356 188 HH2 TRP 18 HH2 TRP 18 60.413 15.105 -0.435 189 H ARG 19 HN ARG 19 52.307 12.398 -4.764 190 HA ARG 19 HA ARG 19 53.379 10.066 -6.151 191 HB2 ARG 19 HB2 ARG 19 50.764 10.036 -5.901 192 HB3 ARG 19 HB1 ARG 19 50.817 11.326 -7.094 193 HG2 ARG 19 HG2 ARG 19 51.912 9.842 -8.697 194 HG3 ARG 19 HG1 ARG 19 52.046 8.568 -7.465 195 HD2 ARG 19 HD2 ARG 19 50.122 8.118 -8.924 196 HD3 ARG 19 HD1 ARG 19 49.557 8.517 -7.284 197 HE ARG 19 HE ARG 19 48.522 10.431 -8.196 198 HH11 ARG 19 HH11 ARG 19 48.234 9.252 -10.846 199 HH12 ARG 19 HH12 ARG 19 49.094 10.348 -11.876 200 HH21 ARG 19 HH21 ARG 19 50.829 11.850 -9.277 201 HH22 ARG 19 HH22 ARG 19 50.563 11.819 -10.989 202 H LYS 20 HN LYS 20 54.781 12.115 -5.814 203 HA LYS 20 HA LYS 20 56.131 13.376 -7.519 204 HB2 LYS 20 HB2 LYS 20 53.489 13.919 -8.249 205 HB3 LYS 20 HB1 LYS 20 54.871 14.708 -9.086 206 HG2 LYS 20 HG2 LYS 20 54.829 11.684 -9.339 207 HG3 LYS 20 HG1 LYS 20 53.599 12.556 -10.286 208 HD2 LYS 20 HD2 LYS 20 56.489 13.479 -10.353 209 HD3 LYS 20 HD1 LYS 20 55.982 12.088 -11.337 210 HE2 LYS 20 HE2 LYS 20 54.497 14.746 -11.405 211 HE3 LYS 20 HE1 LYS 20 55.875 14.394 -12.475 212 HZ1 LYS 20 HZ1 LYS 20 53.651 12.470 -12.267 213 HZ2 LYS 20 HZ2 LYS 20 54.725 12.743 -13.555 214 HZ3 LYS 20 HZ3 LYS 20 53.474 13.847 -13.239 215 H ALA 21 HN ALA 21 54.301 13.270 -5.182 216 HA ALA 21 HA ALA 21 53.516 14.864 -4.121 217 HB1 ALA 21 HB1 ALA 21 54.376 16.847 -3.418 218 HB2 ALA 21 HB2 ALA 21 54.490 17.274 -5.127 219 HB3 ALA 21 HB3 ALA 21 55.705 16.213 -4.395 220 H VAL 22 HN VAL 22 52.599 13.280 -5.692 221 HA VAL 22 HA VAL 22 51.355 13.484 -7.610 222 HB VAL 22 HB VAL 22 49.344 13.851 -5.962 223 HG11 VAL 22 HG11 VAL 22 48.313 16.017 -5.902 224 HG12 VAL 22 HG12 VAL 22 49.409 16.650 -7.148 225 HG13 VAL 22 HG13 VAL 22 50.027 16.285 -5.529 226 HG21 VAL 22 HG21 VAL 22 47.767 13.992 -7.699 227 HG22 VAL 22 HG22 VAL 22 49.204 13.314 -8.491 228 HG23 VAL 22 HG23 VAL 22 48.800 15.031 -8.697 229 H ILE 23 HN ILE 23 53.532 15.367 -6.844 230 HA ILE 23 HA ILE 23 53.205 16.693 -9.648 231 HB ILE 23 HB ILE 23 51.694 18.095 -7.789 232 HG12 ILE 23 HG12 ILE 23 51.944 20.057 -9.525 233 HG13 ILE 23 HG11 ILE 23 53.023 18.942 -10.394 234 HG21 ILE 23 HG21 ILE 23 53.872 18.841 -6.686 235 HG22 ILE 23 HG22 ILE 23 52.769 20.142 -7.177 236 HG23 ILE 23 HG23 ILE 23 54.203 19.770 -8.163 237 HD11 ILE 23 HD1 ILE 23 51.258 17.352 -10.740 238 HD12 ILE 23 HD2 ILE 23 50.553 18.940 -11.104 239 HD13 ILE 23 HD3 ILE 23 50.201 18.150 -9.553 240 H ALA 24 HN ALA 24 54.917 16.594 -6.591 241 HA ALA 24 HA ALA 24 57.313 17.147 -8.014 242 HB1 ALA 24 HB1 ALA 24 56.520 18.085 -5.468 243 HB2 ALA 24 HB2 ALA 24 56.488 19.137 -6.907 244 HB3 ALA 24 HB3 ALA 24 58.051 18.600 -6.217 245 H TRP 25 HN TRP 25 55.834 15.443 -6.436 246 HA TRP 25 HA TRP 25 56.455 13.437 -4.982 247 HB2 TRP 25 HB2 TRP 25 58.926 12.555 -5.240 248 HB3 TRP 25 HB1 TRP 25 57.794 12.323 -6.565 249 HD1 TRP 25 HD1 TRP 25 58.050 14.068 -8.673 250 HE1 TRP 25 HE1 TRP 25 60.147 15.269 -9.620 251 HE3 TRP 25 HE3 TRP 25 61.153 13.586 -4.627 252 HZ2 TRP 25 HZ2 TRP 25 62.803 15.917 -8.721 253 HZ3 TRP 25 HZ3 TRP 25 63.466 14.504 -4.698 254 HH2 TRP 25 HH2 TRP 25 64.294 15.666 -6.739 Start of MODEL 9 1 H1 ALA 1 HT1 ALA 1 44.872 1.610 12.678 2 H2 ALA 1 HT2 ALA 1 44.775 2.482 11.223 3 H3 ALA 1 HT3 ALA 1 43.398 2.297 12.201 4 HA ALA 1 HA ALA 1 43.957 4.363 12.799 5 HB1 ALA 1 HB1 ALA 1 45.791 2.661 14.525 6 HB2 ALA 1 HB2 ALA 1 44.047 2.904 14.791 7 HB3 ALA 1 HB3 ALA 1 45.168 4.279 14.928 8 H GLY 2 HN GLY 2 45.980 2.962 10.778 9 HA2 GLY 2 HA1 GLY 2 47.528 5.256 10.246 10 HA3 GLY 2 HA2 GLY 2 48.514 4.214 11.292 11 H LYS 3 HN LYS 3 47.153 1.775 10.174 12 HA LYS 3 HA LYS 3 49.083 1.060 8.252 13 HB2 LYS 3 HB2 LYS 3 47.464 -0.453 9.517 14 HB3 LYS 3 HB1 LYS 3 46.239 -0.012 8.306 15 HG2 LYS 3 HG2 LYS 3 47.967 -0.742 6.528 16 HG3 LYS 3 HG1 LYS 3 48.871 -1.478 7.871 17 HD2 LYS 3 HD2 LYS 3 46.000 -2.108 7.052 18 HD3 LYS 3 HD1 LYS 3 47.417 -3.163 6.842 19 HE2 LYS 3 HE2 LYS 3 46.039 -2.338 9.419 20 HE3 LYS 3 HE1 LYS 3 46.374 -3.977 8.815 21 HZ1 LYS 3 HZ1 LYS 3 48.727 -3.587 9.125 22 HZ2 LYS 3 HZ2 LYS 3 47.903 -3.310 10.584 23 HZ3 LYS 3 HZ3 LYS 3 48.440 -2.000 9.645 24 H GLU 4 HN GLU 4 45.955 2.674 7.863 25 HA GLU 4 HA GLU 4 46.749 3.563 5.168 26 HB2 GLU 4 HB2 GLU 4 44.588 2.679 4.155 27 HB3 GLU 4 HB1 GLU 4 45.820 1.444 4.511 28 HG2 GLU 4 HG2 GLU 4 44.685 0.849 6.595 29 HG3 GLU 4 HG1 GLU 4 43.508 2.163 6.365 30 H LYS 5 HN LYS 5 46.525 5.158 7.245 31 HA LYS 5 HA LYS 5 43.819 6.473 6.953 32 HB2 LYS 5 HB2 LYS 5 44.345 5.559 9.258 33 HB3 LYS 5 HB1 LYS 5 45.732 6.673 9.317 34 HG2 LYS 5 HG2 LYS 5 44.242 8.601 9.032 35 HG3 LYS 5 HG1 LYS 5 42.838 7.521 8.859 36 HD2 LYS 5 HD2 LYS 5 43.323 6.619 11.162 37 HD3 LYS 5 HD1 LYS 5 44.597 7.852 11.327 38 HE2 LYS 5 HE2 LYS 5 42.959 9.647 11.045 39 HE3 LYS 5 HE1 LYS 5 41.669 8.461 10.731 40 HZ1 LYS 5 HZ1 LYS 5 41.449 8.031 12.899 41 HZ2 LYS 5 HZ2 LYS 5 42.297 9.480 13.157 42 HZ3 LYS 5 HZ3 LYS 5 43.122 7.994 13.180 43 H ILE 6 HN ILE 6 47.268 7.007 7.733 44 HA ILE 6 HA ILE 6 47.451 9.113 5.719 45 HB ILE 6 HB ILE 6 48.409 10.776 7.542 46 HG12 ILE 6 HG12 ILE 6 46.574 9.021 9.245 47 HG13 ILE 6 HG11 ILE 6 48.333 9.183 9.436 48 HG21 ILE 6 HG21 ILE 6 46.219 11.002 6.177 49 HG22 ILE 6 HG22 ILE 6 46.322 11.908 7.701 50 HG23 ILE 6 HG23 ILE 6 45.391 10.394 7.631 51 HD11 ILE 6 HD1 ILE 6 47.866 11.735 9.695 52 HD12 ILE 6 HD2 ILE 6 47.448 10.668 11.058 53 HD13 ILE 6 HD3 ILE 6 46.174 11.249 9.962 54 H ARG 7 HN ARG 7 49.036 8.191 4.758 55 HA ARG 7 HA ARG 7 51.738 8.363 5.624 56 HB2 ARG 7 HB2 ARG 7 51.284 6.620 7.285 57 HB3 ARG 7 HB1 ARG 7 50.398 5.662 6.076 58 HG2 ARG 7 HG2 ARG 7 52.383 5.085 4.903 59 HG3 ARG 7 HG1 ARG 7 53.324 6.387 5.671 60 HD2 ARG 7 HD2 ARG 7 53.257 5.240 7.821 61 HD3 ARG 7 HD1 ARG 7 52.154 4.002 7.172 62 HE ARG 7 HE ARG 7 54.539 4.052 5.582 63 HH11 ARG 7 HH11 ARG 7 56.552 3.419 6.813 64 HH12 ARG 7 HH12 ARG 7 56.330 2.099 7.914 65 HH21 ARG 7 HH21 ARG 7 52.866 2.261 7.825 66 HH22 ARG 7 HH22 ARG 7 54.243 1.442 8.485 67 H LYS 8 HN LYS 8 49.130 7.761 3.863 68 HA LYS 8 HA LYS 8 50.025 8.032 1.379 69 HB2 LYS 8 HB2 LYS 8 49.877 5.645 0.467 70 HB3 LYS 8 HB1 LYS 8 51.408 6.144 1.214 71 HG2 LYS 8 HG2 LYS 8 51.275 4.425 2.729 72 HG3 LYS 8 HG1 LYS 8 49.719 5.029 3.325 73 HD2 LYS 8 HD2 LYS 8 48.548 3.804 1.510 74 HD3 LYS 8 HD1 LYS 8 50.112 3.197 0.916 75 HE2 LYS 8 HE2 LYS 8 50.517 2.066 3.066 76 HE3 LYS 8 HE1 LYS 8 48.987 2.708 3.709 77 HZ1 LYS 8 HZ1 LYS 8 48.273 0.701 2.965 78 HZ2 LYS 8 HZ2 LYS 8 49.447 0.587 1.741 79 HZ3 LYS 8 HZ3 LYS 8 48.079 1.570 1.521 80 H LYS 9 HN LYS 9 48.094 5.225 2.633 81 HA LYS 9 HA LYS 9 45.802 4.870 2.267 82 HB2 LYS 9 HB2 LYS 9 45.903 7.031 3.687 83 HB3 LYS 9 HB1 LYS 9 45.496 7.839 2.174 84 HG2 LYS 9 HG2 LYS 9 43.513 6.216 1.979 85 HG3 LYS 9 HG1 LYS 9 43.860 5.746 3.659 86 HD2 LYS 9 HD2 LYS 9 43.530 8.049 4.416 87 HD3 LYS 9 HD1 LYS 9 43.309 8.602 2.740 88 HE2 LYS 9 HE2 LYS 9 41.129 8.289 3.905 89 HE3 LYS 9 HE1 LYS 9 41.301 7.186 2.518 90 HZ1 LYS 9 HZ1 LYS 9 42.333 6.133 5.002 91 HZ2 LYS 9 HZ2 LYS 9 41.317 5.407 3.849 92 HZ3 LYS 9 HZ3 LYS 9 40.665 6.433 5.036 93 H LEU 10 HN LEU 10 47.861 5.965 0.340 94 HA LEU 10 HA LEU 10 48.165 6.026 -1.969 95 HB2 LEU 10 HB2 LEU 10 45.127 6.160 -2.311 96 HB3 LEU 10 HB1 LEU 10 46.346 5.809 -3.548 97 HG LEU 10 HG LEU 10 45.553 4.032 -1.201 98 HD11 LEU 10 HD11 LEU 10 44.940 2.464 -2.995 99 HD12 LEU 10 HD12 LEU 10 45.491 3.631 -4.222 100 HD13 LEU 10 HD13 LEU 10 44.081 4.008 -3.204 101 HD21 LEU 10 HD21 LEU 10 47.904 3.888 -3.132 102 HD22 LEU 10 HD22 LEU 10 47.257 2.436 -2.330 103 HD23 LEU 10 HD23 LEU 10 47.927 3.766 -1.357 104 H LYS 11 HN LYS 11 48.559 7.997 -0.224 105 HA LYS 11 HA LYS 11 48.596 10.448 -1.361 106 HB2 LYS 11 HB2 LYS 11 46.544 11.663 -0.663 107 HB3 LYS 11 HB1 LYS 11 46.237 10.553 -1.995 108 HG2 LYS 11 HG2 LYS 11 45.650 8.900 0.123 109 HG3 LYS 11 HG1 LYS 11 45.255 10.468 0.847 110 HD2 LYS 11 HD2 LYS 11 43.821 10.965 -1.167 111 HD3 LYS 11 HD1 LYS 11 44.115 9.301 -1.727 112 HE2 LYS 11 HE2 LYS 11 43.151 8.421 0.379 113 HE3 LYS 11 HE1 LYS 11 42.853 10.085 0.938 114 HZ1 LYS 11 HZ1 LYS 11 40.885 9.061 -0.075 115 HZ2 LYS 11 HZ2 LYS 11 41.723 8.881 -1.542 116 HZ3 LYS 11 HZ3 LYS 11 41.392 10.431 -0.934 117 H ASN 12 HN ASN 12 46.670 9.769 1.677 118 HA ASN 12 HA ASN 12 47.495 10.579 3.851 119 HB2 ASN 12 HB2 ASN 12 49.787 9.528 3.148 120 HB3 ASN 12 HB1 ASN 12 50.207 11.099 2.388 121 HD21 ASN 12 HD21 ASN 12 48.217 11.917 4.947 122 HD22 ASN 12 HD22 ASN 12 49.438 12.125 6.206 123 H GLU 13 HN GLU 13 48.087 11.624 0.847 124 HA GLU 13 HA GLU 13 48.349 13.410 -0.435 125 HB2 GLU 13 HB2 GLU 13 47.455 14.978 2.104 126 HB3 GLU 13 HB1 GLU 13 47.667 15.691 0.490 127 HG2 GLU 13 HG2 GLU 13 45.894 14.208 -0.403 128 HG3 GLU 13 HG1 GLU 13 45.684 13.489 1.213 129 H ILE 14 HN ILE 14 50.316 12.185 -0.144 130 HA ILE 14 HA ILE 14 52.534 13.901 0.397 131 HB ILE 14 HB ILE 14 51.300 13.103 2.968 132 HG12 ILE 14 HG12 ILE 14 52.263 15.371 2.241 133 HG13 ILE 14 HG11 ILE 14 52.640 14.833 3.889 134 HG21 ILE 14 HG21 ILE 14 53.339 12.406 4.186 135 HG22 ILE 14 HG22 ILE 14 54.176 12.166 2.643 136 HG23 ILE 14 HG23 ILE 14 52.750 11.176 3.053 137 HD11 ILE 14 HD1 ILE 14 54.574 15.809 2.424 138 HD12 ILE 14 HD2 ILE 14 54.532 14.240 1.587 139 HD13 ILE 14 HD3 ILE 14 54.883 14.309 3.330 140 H LYS 15 HN LYS 15 51.274 12.115 -1.112 141 HA LYS 15 HA LYS 15 53.216 9.971 -1.438 142 HB2 LYS 15 HB2 LYS 15 51.443 9.417 0.170 143 HB3 LYS 15 HB1 LYS 15 50.350 10.080 -1.102 144 HG2 LYS 15 HG2 LYS 15 50.508 7.454 -0.896 145 HG3 LYS 15 HG1 LYS 15 50.730 8.131 -2.516 146 HD2 LYS 15 HD2 LYS 15 53.098 7.857 -2.439 147 HD3 LYS 15 HD1 LYS 15 53.090 7.596 -0.678 148 HE2 LYS 15 HE2 LYS 15 51.821 5.475 -1.026 149 HE3 LYS 15 HE1 LYS 15 51.900 5.735 -2.784 150 HZ1 LYS 15 HZ1 LYS 15 54.432 5.940 -2.313 151 HZ2 LYS 15 HZ2 LYS 15 53.716 4.403 -2.413 152 HZ3 LYS 15 HZ3 LYS 15 54.068 5.082 -0.895 153 H LYS 16 HN LYS 16 50.776 11.888 -2.111 154 HA LYS 16 HA LYS 16 50.629 11.508 -5.103 155 HB2 LYS 16 HB2 LYS 16 49.251 11.747 -2.698 156 HB3 LYS 16 HB1 LYS 16 48.272 12.279 -4.133 157 HG2 LYS 16 HG2 LYS 16 49.537 9.464 -3.954 158 HG3 LYS 16 HG1 LYS 16 47.874 9.763 -3.430 159 HD2 LYS 16 HD2 LYS 16 47.392 10.739 -5.702 160 HD3 LYS 16 HD1 LYS 16 49.013 10.212 -6.211 161 HE2 LYS 16 HE2 LYS 16 48.462 7.883 -5.739 162 HE3 LYS 16 HE1 LYS 16 46.884 8.355 -5.063 163 HZ1 LYS 16 HZ1 LYS 16 47.775 8.776 -7.875 164 HZ2 LYS 16 HZ2 LYS 16 46.275 9.247 -7.231 165 HZ3 LYS 16 HZ3 LYS 16 46.673 7.599 -7.347 166 H LYS 17 HN LYS 17 50.469 12.750 -1.906 167 HA LYS 17 HA LYS 17 50.895 15.582 -3.205 168 HB2 LYS 17 HB2 LYS 17 49.424 15.335 -0.979 169 HB3 LYS 17 HB1 LYS 17 51.029 15.351 -0.240 170 HG2 LYS 17 HG2 LYS 17 51.528 17.427 -1.578 171 HG3 LYS 17 HG1 LYS 17 49.807 17.453 -2.038 172 HD2 LYS 17 HD2 LYS 17 49.148 17.576 0.331 173 HD3 LYS 17 HD1 LYS 17 50.854 17.475 0.829 174 HE2 LYS 17 HE2 LYS 17 51.352 19.593 -0.295 175 HE3 LYS 17 HE1 LYS 17 49.691 19.681 -0.929 176 HZ1 LYS 17 HZ1 LYS 17 49.642 19.285 1.873 177 HZ2 LYS 17 HZ2 LYS 17 49.017 20.578 0.966 178 HZ3 LYS 17 HZ3 LYS 17 50.624 20.620 1.513 179 H TRP 18 HN TRP 18 51.880 12.546 -3.069 180 HA TRP 18 HA TRP 18 54.690 13.681 -3.154 181 HB2 TRP 18 HB2 TRP 18 54.422 13.130 -0.624 182 HB3 TRP 18 HB1 TRP 18 54.676 11.461 -1.142 183 HD1 TRP 18 HD1 TRP 18 57.064 10.904 -2.278 184 HE1 TRP 18 HE1 TRP 18 59.384 12.039 -2.010 185 HE3 TRP 18 HE3 TRP 18 55.566 15.354 -0.229 186 HZ2 TRP 18 HZ2 TRP 18 60.424 14.536 -1.032 187 HZ3 TRP 18 HZ3 TRP 18 57.243 17.093 0.372 188 HH2 TRP 18 HH2 TRP 18 59.668 16.689 -0.028 189 H ARG 19 HN ARG 19 52.427 12.158 -4.586 190 HA ARG 19 HA ARG 19 54.101 9.919 -5.415 191 HB2 ARG 19 HB2 ARG 19 51.491 9.497 -5.513 192 HB3 ARG 19 HB1 ARG 19 51.596 10.491 -6.965 193 HG2 ARG 19 HG2 ARG 19 53.357 8.876 -7.820 194 HG3 ARG 19 HG1 ARG 19 52.998 7.850 -6.413 195 HD2 ARG 19 HD2 ARG 19 50.626 7.715 -7.108 196 HD3 ARG 19 HD1 ARG 19 50.979 8.746 -8.517 197 HE ARG 19 HE ARG 19 52.755 6.515 -8.579 198 HH11 ARG 19 HH11 ARG 19 51.668 6.749 -11.069 199 HH12 ARG 19 HH12 ARG 19 50.310 5.676 -11.149 200 HH21 ARG 19 HH21 ARG 19 50.023 5.357 -7.708 201 HH22 ARG 19 HH22 ARG 19 49.378 4.889 -9.245 202 H LYS 20 HN LYS 20 55.000 12.273 -5.308 203 HA LYS 20 HA LYS 20 56.469 13.340 -7.046 204 HB2 LYS 20 HB2 LYS 20 53.854 13.190 -8.235 205 HB3 LYS 20 HB1 LYS 20 55.174 14.311 -8.802 206 HG2 LYS 20 HG2 LYS 20 55.828 11.340 -8.736 207 HG3 LYS 20 HG1 LYS 20 54.785 11.902 -10.060 208 HD2 LYS 20 HD2 LYS 20 57.365 13.380 -9.423 209 HD3 LYS 20 HD1 LYS 20 57.411 11.886 -10.384 210 HE2 LYS 20 HE2 LYS 20 55.743 12.901 -11.967 211 HE3 LYS 20 HE1 LYS 20 55.840 14.419 -11.045 212 HZ1 LYS 20 HZ1 LYS 20 58.418 13.932 -11.455 213 HZ2 LYS 20 HZ2 LYS 20 57.465 14.842 -12.526 214 HZ3 LYS 20 HZ3 LYS 20 57.779 13.203 -12.847 215 H ALA 21 HN ALA 21 54.410 13.425 -4.921 216 HA ALA 21 HA ALA 21 53.385 15.113 -4.260 217 HB1 ALA 21 HB1 ALA 21 53.856 17.330 -4.061 218 HB2 ALA 21 HB2 ALA 21 54.095 17.327 -5.812 219 HB3 ALA 21 HB3 ALA 21 55.355 16.691 -4.736 220 H VAL 22 HN VAL 22 52.862 13.014 -5.627 221 HA VAL 22 HA VAL 22 51.864 12.706 -7.631 222 HB VAL 22 HB VAL 22 49.583 13.035 -6.338 223 HG11 VAL 22 HG11 VAL 22 49.444 15.555 -8.023 224 HG12 VAL 22 HG12 VAL 22 49.843 15.577 -6.296 225 HG13 VAL 22 HG13 VAL 22 48.265 14.970 -6.832 226 HG21 VAL 22 HG21 VAL 22 48.286 12.594 -8.239 227 HG22 VAL 22 HG22 VAL 22 49.908 12.050 -8.716 228 HG23 VAL 22 HG23 VAL 22 49.287 13.612 -9.289 229 H ILE 23 HN ILE 23 53.616 15.078 -7.020 230 HA ILE 23 HA ILE 23 53.398 15.844 -10.067 231 HB ILE 23 HB ILE 23 51.661 17.335 -8.388 232 HG12 ILE 23 HG12 ILE 23 51.388 16.814 -10.822 233 HG13 ILE 23 HG11 ILE 23 51.007 18.493 -10.397 234 HG21 ILE 23 HG21 ILE 23 53.914 19.162 -9.325 235 HG22 ILE 23 HG22 ILE 23 53.547 18.739 -7.639 236 HG23 ILE 23 HG23 ILE 23 52.371 19.664 -8.598 237 HD11 ILE 23 HD1 ILE 23 52.938 19.339 -11.449 238 HD12 ILE 23 HD2 ILE 23 52.494 17.995 -12.524 239 HD13 ILE 23 HD3 ILE 23 53.800 17.788 -11.341 240 H ALA 24 HN ALA 24 54.864 16.469 -6.948 241 HA ALA 24 HA ALA 24 57.277 17.082 -8.286 242 HB1 ALA 24 HB1 ALA 24 56.095 18.439 -6.083 243 HB2 ALA 24 HB2 ALA 24 56.180 19.154 -7.717 244 HB3 ALA 24 HB3 ALA 24 57.670 18.949 -6.745 245 H TRP 25 HN TRP 25 55.824 15.590 -6.483 246 HA TRP 25 HA TRP 25 56.609 13.830 -4.772 247 HB2 TRP 25 HB2 TRP 25 58.678 13.900 -6.496 248 HB3 TRP 25 HB1 TRP 25 59.502 14.642 -5.119 249 HD1 TRP 25 HD1 TRP 25 57.075 11.613 -5.457 250 HE1 TRP 25 HE1 TRP 25 58.077 9.595 -4.163 251 HE3 TRP 25 HE3 TRP 25 61.402 13.789 -3.798 252 HZ2 TRP 25 HZ2 TRP 25 60.446 9.031 -2.627 253 HZ3 TRP 25 HZ3 TRP 25 63.020 12.490 -2.421 254 HH2 TRP 25 HH2 TRP 25 62.547 10.116 -1.835 Start of MODEL 10 1 H1 ALA 1 HT1 ALA 1 45.215 4.611 15.168 2 H2 ALA 1 HT2 ALA 1 43.721 4.119 14.525 3 H3 ALA 1 HT3 ALA 1 44.260 5.716 14.307 4 HA ALA 1 HA ALA 1 45.823 3.442 13.322 5 HB1 ALA 1 HB1 ALA 1 43.644 4.900 11.791 6 HB2 ALA 1 HB2 ALA 1 43.470 3.268 12.480 7 HB3 ALA 1 HB3 ALA 1 44.670 3.572 11.200 8 H GLY 2 HN GLY 2 46.476 4.411 10.918 9 HA2 GLY 2 HA1 GLY 2 47.023 7.210 10.785 10 HA3 GLY 2 HA2 GLY 2 48.424 6.390 11.504 11 H LYS 3 HN LYS 3 48.160 3.919 10.068 12 HA LYS 3 HA LYS 3 49.654 4.595 7.719 13 HB2 LYS 3 HB2 LYS 3 48.153 2.043 8.431 14 HB3 LYS 3 HB1 LYS 3 49.349 2.198 7.121 15 HG2 LYS 3 HG2 LYS 3 50.984 3.054 8.929 16 HG3 LYS 3 HG1 LYS 3 49.799 2.467 10.120 17 HD2 LYS 3 HD2 LYS 3 51.177 0.803 7.965 18 HD3 LYS 3 HD1 LYS 3 51.492 0.735 9.714 19 HE2 LYS 3 HE2 LYS 3 48.964 0.178 9.956 20 HE3 LYS 3 HE1 LYS 3 49.009 -0.146 8.206 21 HZ1 LYS 3 HZ1 LYS 3 49.424 -2.141 9.536 22 HZ2 LYS 3 HZ2 LYS 3 50.791 -1.408 10.230 23 HZ3 LYS 3 HZ3 LYS 3 50.759 -1.750 8.566 24 H GLU 4 HN GLU 4 46.630 2.697 7.601 25 HA GLU 4 HA GLU 4 45.997 3.854 4.976 26 HB2 GLU 4 HB2 GLU 4 44.513 1.921 6.802 27 HB3 GLU 4 HB1 GLU 4 43.944 2.406 5.187 28 HG2 GLU 4 HG2 GLU 4 45.158 0.314 4.957 29 HG3 GLU 4 HG1 GLU 4 46.158 1.607 4.253 30 H LYS 5 HN LYS 5 46.132 6.027 6.426 31 HA LYS 5 HA LYS 5 43.367 7.001 6.440 32 HB2 LYS 5 HB2 LYS 5 43.585 5.947 8.711 33 HB3 LYS 5 HB1 LYS 5 44.928 7.065 9.052 34 HG2 LYS 5 HG2 LYS 5 43.452 8.997 8.710 35 HG3 LYS 5 HG1 LYS 5 42.107 7.918 8.267 36 HD2 LYS 5 HD2 LYS 5 42.088 6.937 10.498 37 HD3 LYS 5 HD1 LYS 5 43.543 7.854 10.955 38 HE2 LYS 5 HE2 LYS 5 42.363 9.956 10.809 39 HE3 LYS 5 HE1 LYS 5 40.946 9.174 10.069 40 HZ1 LYS 5 HZ1 LYS 5 40.850 9.672 12.547 41 HZ2 LYS 5 HZ2 LYS 5 41.941 8.385 12.748 42 HZ3 LYS 5 HZ3 LYS 5 40.412 8.108 12.060 43 H ILE 6 HN ILE 6 46.758 7.563 7.427 44 HA ILE 6 HA ILE 6 46.914 9.933 5.761 45 HB ILE 6 HB ILE 6 45.640 10.950 7.589 46 HG12 ILE 6 HG12 ILE 6 48.585 11.749 7.753 47 HG13 ILE 6 HG11 ILE 6 47.445 12.271 6.490 48 HG21 ILE 6 HG21 ILE 6 47.848 10.446 9.599 49 HG22 ILE 6 HG22 ILE 6 46.664 9.154 9.297 50 HG23 ILE 6 HG23 ILE 6 46.118 10.747 9.863 51 HD11 ILE 6 HD1 ILE 6 47.277 12.848 9.475 52 HD12 ILE 6 HD2 ILE 6 45.966 13.200 8.323 53 HD13 ILE 6 HD3 ILE 6 47.538 14.021 8.162 54 H ARG 7 HN ARG 7 48.671 8.727 4.922 55 HA ARG 7 HA ARG 7 51.222 9.365 6.087 56 HB2 ARG 7 HB2 ARG 7 50.461 7.504 7.725 57 HB3 ARG 7 HB1 ARG 7 50.518 6.401 6.338 58 HG2 ARG 7 HG2 ARG 7 52.671 6.112 7.227 59 HG3 ARG 7 HG1 ARG 7 52.975 7.379 6.020 60 HD2 ARG 7 HD2 ARG 7 52.823 9.114 7.770 61 HD3 ARG 7 HD1 ARG 7 52.426 7.876 8.984 62 HE ARG 7 HE ARG 7 54.835 6.999 7.946 63 HH11 ARG 7 HH11 ARG 7 55.740 7.406 10.333 64 HH12 ARG 7 HH12 ARG 7 56.356 9.017 10.490 65 HH21 ARG 7 HH21 ARG 7 54.732 10.195 7.661 66 HH22 ARG 7 HH22 ARG 7 55.784 10.597 8.976 67 H LYS 8 HN LYS 8 48.993 7.785 4.223 68 HA LYS 8 HA LYS 8 49.444 8.187 1.767 69 HB2 LYS 8 HB2 LYS 8 50.944 6.665 0.676 70 HB3 LYS 8 HB1 LYS 8 51.835 7.767 1.736 71 HG2 LYS 8 HG2 LYS 8 51.459 5.690 3.495 72 HG3 LYS 8 HG1 LYS 8 51.448 4.781 1.970 73 HD2 LYS 8 HD2 LYS 8 53.623 5.941 1.362 74 HD3 LYS 8 HD1 LYS 8 53.660 6.592 3.018 75 HE2 LYS 8 HE2 LYS 8 54.986 4.541 2.947 76 HE3 LYS 8 HE1 LYS 8 53.509 4.241 3.893 77 HZ1 LYS 8 HZ1 LYS 8 52.903 3.722 1.225 78 HZ2 LYS 8 HZ2 LYS 8 53.037 2.604 2.498 79 HZ3 LYS 8 HZ3 LYS 8 54.388 2.963 1.532 80 H LYS 9 HN LYS 9 47.320 7.513 2.690 81 HA LYS 9 HA LYS 9 46.700 4.691 2.777 82 HB2 LYS 9 HB2 LYS 9 45.248 6.583 3.675 83 HB3 LYS 9 HB1 LYS 9 44.864 6.983 1.985 84 HG2 LYS 9 HG2 LYS 9 43.763 4.884 1.628 85 HG3 LYS 9 HG1 LYS 9 44.427 4.192 3.126 86 HD2 LYS 9 HD2 LYS 9 43.077 5.701 4.480 87 HD3 LYS 9 HD1 LYS 9 42.515 6.564 3.028 88 HE2 LYS 9 HE2 LYS 9 42.007 3.615 3.622 89 HE3 LYS 9 HE1 LYS 9 40.825 4.925 3.856 90 HZ1 LYS 9 HZ1 LYS 9 41.550 3.562 1.465 91 HZ2 LYS 9 HZ2 LYS 9 41.795 5.234 1.291 92 HZ3 LYS 9 HZ3 LYS 9 40.268 4.639 1.740 93 H LEU 10 HN LEU 10 48.022 6.531 0.615 94 HA LEU 10 HA LEU 10 48.702 5.619 -1.528 95 HB2 LEU 10 HB2 LEU 10 46.706 4.015 -1.679 96 HB3 LEU 10 HB1 LEU 10 45.704 5.428 -2.088 97 HG LEU 10 HG LEU 10 47.583 5.827 -3.956 98 HD11 LEU 10 HD11 LEU 10 49.113 4.049 -3.214 99 HD12 LEU 10 HD12 LEU 10 48.466 3.665 -4.824 100 HD13 LEU 10 HD13 LEU 10 47.821 2.838 -3.388 101 HD21 LEU 10 HD21 LEU 10 46.275 4.421 -5.529 102 HD22 LEU 10 HD22 LEU 10 45.207 5.323 -4.427 103 HD23 LEU 10 HD23 LEU 10 45.515 3.591 -4.151 104 H LYS 11 HN LYS 11 48.598 7.993 -0.034 105 HA LYS 11 HA LYS 11 48.832 10.142 -1.612 106 HB2 LYS 11 HB2 LYS 11 46.647 11.255 -1.970 107 HB3 LYS 11 HB1 LYS 11 46.671 9.756 -2.897 108 HG2 LYS 11 HG2 LYS 11 45.529 8.707 -0.756 109 HG3 LYS 11 HG1 LYS 11 45.202 10.394 -0.315 110 HD2 LYS 11 HD2 LYS 11 44.123 10.709 -2.575 111 HD3 LYS 11 HD1 LYS 11 44.314 8.961 -2.854 112 HE2 LYS 11 HE2 LYS 11 42.968 8.476 -0.843 113 HE3 LYS 11 HE1 LYS 11 42.799 10.219 -0.524 114 HZ1 LYS 11 HZ1 LYS 11 41.637 10.479 -2.598 115 HZ2 LYS 11 HZ2 LYS 11 40.877 9.257 -1.696 116 HZ3 LYS 11 HZ3 LYS 11 41.880 8.851 -3.005 117 H ASN 12 HN ASN 12 46.455 9.393 1.080 118 HA ASN 12 HA ASN 12 46.463 10.722 3.092 119 HB2 ASN 12 HB2 ASN 12 48.685 9.685 3.360 120 HB3 ASN 12 HB1 ASN 12 49.463 10.838 2.195 121 HD21 ASN 12 HD21 ASN 12 48.751 13.325 3.034 122 HD22 ASN 12 HD22 ASN 12 49.119 13.581 4.739 123 H GLU 13 HN GLU 13 48.944 11.874 1.342 124 HA GLU 13 HA GLU 13 48.758 13.739 -0.316 125 HB2 GLU 13 HB2 GLU 13 47.865 14.924 2.375 126 HB3 GLU 13 HB1 GLU 13 48.975 15.893 1.394 127 HG2 GLU 13 HG2 GLU 13 47.437 15.913 -0.474 128 HG3 GLU 13 HG1 GLU 13 46.381 14.717 0.315 129 H ILE 14 HN ILE 14 50.401 11.870 -0.175 130 HA ILE 14 HA ILE 14 52.954 13.207 0.620 131 HB ILE 14 HB ILE 14 51.894 12.695 3.028 132 HG12 ILE 14 HG12 ILE 14 54.728 11.805 2.339 133 HG13 ILE 14 HG11 ILE 14 54.212 13.491 2.580 134 HG21 ILE 14 HG21 ILE 14 51.633 10.125 2.142 135 HG22 ILE 14 HG22 ILE 14 51.874 10.537 3.850 136 HG23 ILE 14 HG23 ILE 14 53.253 10.019 2.858 137 HD11 ILE 14 HD1 ILE 14 55.131 12.778 4.676 138 HD12 ILE 14 HD2 ILE 14 54.239 11.240 4.627 139 HD13 ILE 14 HD3 ILE 14 53.365 12.768 4.888 140 H LYS 15 HN LYS 15 51.483 11.922 -1.188 141 HA LYS 15 HA LYS 15 53.114 9.663 -2.048 142 HB2 LYS 15 HB2 LYS 15 51.671 8.938 -0.280 143 HB3 LYS 15 HB1 LYS 15 50.439 10.079 -1.000 144 HG2 LYS 15 HG2 LYS 15 50.104 7.463 -1.356 145 HG3 LYS 15 HG1 LYS 15 50.065 8.426 -2.842 146 HD2 LYS 15 HD2 LYS 15 52.399 7.797 -3.310 147 HD3 LYS 15 HD1 LYS 15 52.525 6.994 -1.733 148 HE2 LYS 15 HE2 LYS 15 50.956 5.292 -2.371 149 HE3 LYS 15 HE1 LYS 15 50.480 6.186 -3.835 150 HZ1 LYS 15 HZ1 LYS 15 51.967 4.627 -4.631 151 HZ2 LYS 15 HZ2 LYS 15 52.990 4.729 -3.278 152 HZ3 LYS 15 HZ3 LYS 15 52.966 5.983 -4.425 153 H LYS 16 HN LYS 16 50.877 11.897 -2.077 154 HA LYS 16 HA LYS 16 50.108 11.972 -4.973 155 HB2 LYS 16 HB2 LYS 16 48.468 11.124 -3.480 156 HB3 LYS 16 HB1 LYS 16 49.274 12.235 -2.280 157 HG2 LYS 16 HG2 LYS 16 47.207 13.416 -2.676 158 HG3 LYS 16 HG1 LYS 16 48.203 14.130 -3.947 159 HD2 LYS 16 HD2 LYS 16 47.335 12.403 -5.549 160 HD3 LYS 16 HD1 LYS 16 46.250 11.817 -4.264 161 HE2 LYS 16 HE2 LYS 16 45.157 14.000 -4.127 162 HE3 LYS 16 HE1 LYS 16 46.308 14.686 -5.300 163 HZ1 LYS 16 HZ1 LYS 16 44.268 14.095 -6.405 164 HZ2 LYS 16 HZ2 LYS 16 44.343 12.506 -5.809 165 HZ3 LYS 16 HZ3 LYS 16 45.498 13.051 -6.929 166 H LYS 17 HN LYS 17 50.756 12.771 -1.662 167 HA LYS 17 HA LYS 17 51.516 15.646 -2.775 168 HB2 LYS 17 HB2 LYS 17 50.283 15.535 -0.434 169 HB3 LYS 17 HB1 LYS 17 51.908 15.108 0.132 170 HG2 LYS 17 HG2 LYS 17 52.782 17.126 -1.057 171 HG3 LYS 17 HG1 LYS 17 51.099 17.582 -1.415 172 HD2 LYS 17 HD2 LYS 17 50.593 17.625 1.012 173 HD3 LYS 17 HD1 LYS 17 52.278 17.174 1.369 174 HE2 LYS 17 HE2 LYS 17 53.106 19.233 0.378 175 HE3 LYS 17 HE1 LYS 17 51.478 19.660 -0.203 176 HZ1 LYS 17 HZ1 LYS 17 51.043 20.582 1.749 177 HZ2 LYS 17 HZ2 LYS 17 52.627 20.252 2.269 178 HZ3 LYS 17 HZ3 LYS 17 51.381 19.135 2.567 179 H TRP 18 HN TRP 18 51.912 12.591 -3.061 180 HA TRP 18 HA TRP 18 54.879 13.236 -3.333 181 HB2 TRP 18 HB2 TRP 18 54.689 12.463 -0.841 182 HB3 TRP 18 HB1 TRP 18 54.641 10.844 -1.535 183 HD1 TRP 18 HD1 TRP 18 56.849 13.989 -1.767 184 HE1 TRP 18 HE1 TRP 18 59.327 13.231 -1.998 185 HE3 TRP 18 HE3 TRP 18 56.126 8.930 -1.928 186 HZ2 TRP 18 HZ2 TRP 18 60.767 10.742 -2.208 187 HZ3 TRP 18 HZ3 TRP 18 58.063 7.378 -2.134 188 HH2 TRP 18 HH2 TRP 18 60.381 8.279 -2.274 189 H ARG 19 HN ARG 19 52.364 12.403 -4.699 190 HA ARG 19 HA ARG 19 53.502 10.075 -6.042 191 HB2 ARG 19 HB2 ARG 19 50.826 10.119 -5.751 192 HB3 ARG 19 HB1 ARG 19 50.930 11.173 -7.143 193 HG2 ARG 19 HG2 ARG 19 52.215 8.409 -7.048 194 HG3 ARG 19 HG1 ARG 19 50.544 8.673 -7.584 195 HD2 ARG 19 HD2 ARG 19 51.494 10.356 -9.277 196 HD3 ARG 19 HD1 ARG 19 53.102 9.705 -8.862 197 HE ARG 19 HE ARG 19 51.137 8.405 -10.532 198 HH11 ARG 19 HH11 ARG 19 54.156 7.971 -10.471 199 HH12 ARG 19 HH12 ARG 19 54.245 6.326 -9.934 200 HH21 ARG 19 HH21 ARG 19 50.963 6.235 -8.816 201 HH22 ARG 19 HH22 ARG 19 52.438 5.343 -8.996 202 H LYS 20 HN LYS 20 54.845 12.147 -5.739 203 HA LYS 20 HA LYS 20 56.159 13.403 -7.467 204 HB2 LYS 20 HB2 LYS 20 53.528 13.900 -8.214 205 HB3 LYS 20 HB1 LYS 20 54.898 14.689 -9.057 206 HG2 LYS 20 HG2 LYS 20 54.889 11.660 -9.253 207 HG3 LYS 20 HG1 LYS 20 53.671 12.517 -10.233 208 HD2 LYS 20 HD2 LYS 20 55.410 13.855 -11.297 209 HD3 LYS 20 HD1 LYS 20 56.652 13.151 -10.234 210 HE2 LYS 20 HE2 LYS 20 56.481 12.121 -12.572 211 HE3 LYS 20 HE1 LYS 20 56.389 10.974 -11.214 212 HZ1 LYS 20 HZ1 LYS 20 54.604 11.087 -13.202 213 HZ2 LYS 20 HZ2 LYS 20 53.855 12.107 -12.068 214 HZ3 LYS 20 HZ3 LYS 20 54.249 10.509 -11.647 215 H ALA 21 HN ALA 21 54.373 13.329 -5.107 216 HA ALA 21 HA ALA 21 53.574 14.959 -4.081 217 HB1 ALA 21 HB1 ALA 21 54.422 16.980 -3.487 218 HB2 ALA 21 HB2 ALA 21 54.410 17.372 -5.215 219 HB3 ALA 21 HB3 ALA 21 55.695 16.370 -4.537 220 H VAL 22 HN VAL 22 52.663 13.282 -5.644 221 HA VAL 22 HA VAL 22 51.410 13.425 -7.558 222 HB VAL 22 HB VAL 22 49.374 13.795 -5.939 223 HG11 VAL 22 HG11 VAL 22 49.383 16.564 -7.179 224 HG12 VAL 22 HG12 VAL 22 49.998 16.250 -5.548 225 HG13 VAL 22 HG13 VAL 22 48.295 15.930 -5.928 226 HG21 VAL 22 HG21 VAL 22 49.276 13.197 -8.456 227 HG22 VAL 22 HG22 VAL 22 48.830 14.898 -8.698 228 HG23 VAL 22 HG23 VAL 22 47.815 13.853 -7.689 229 H ILE 23 HN ILE 23 53.545 15.383 -6.818 230 HA ILE 23 HA ILE 23 53.124 16.682 -9.648 231 HB ILE 23 HB ILE 23 51.774 18.070 -7.578 232 HG12 ILE 23 HG12 ILE 23 51.227 18.031 -10.018 233 HG13 ILE 23 HG11 ILE 23 51.142 19.649 -9.292 234 HG21 ILE 23 HG21 ILE 23 52.797 20.289 -7.474 235 HG22 ILE 23 HG22 ILE 23 54.184 19.730 -8.434 236 HG23 ILE 23 HG23 ILE 23 53.901 19.065 -6.810 237 HD11 ILE 23 HD1 ILE 23 53.083 20.394 -10.396 238 HD12 ILE 23 HD2 ILE 23 52.358 19.326 -11.617 239 HD13 ILE 23 HD3 ILE 23 53.710 18.747 -10.625 240 H ALA 24 HN ALA 24 54.910 16.687 -6.606 241 HA ALA 24 HA ALA 24 57.255 17.203 -8.110 242 HB1 ALA 24 HB1 ALA 24 58.062 18.663 -6.343 243 HB2 ALA 24 HB2 ALA 24 56.524 18.184 -5.565 244 HB3 ALA 24 HB3 ALA 24 56.495 19.212 -7.016 245 H TRP 25 HN TRP 25 55.847 15.514 -6.445 246 HA TRP 25 HA TRP 25 56.662 13.402 -5.196 247 HB2 TRP 25 HB2 TRP 25 58.369 13.553 -7.306 248 HB3 TRP 25 HB1 TRP 25 59.534 13.940 -6.043 249 HD1 TRP 25 HD1 TRP 25 59.951 12.070 -4.143 250 HE1 TRP 25 HE1 TRP 25 59.753 9.488 -4.188 251 HE3 TRP 25 HE3 TRP 25 57.089 11.525 -8.372 252 HZ2 TRP 25 HZ2 TRP 25 58.530 7.484 -5.832 253 HZ3 TRP 25 HZ3 TRP 25 56.430 9.264 -9.152 254 HH2 TRP 25 HH2 TRP 25 57.150 7.242 -7.893
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