NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
18092 | 2dez | 7006 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H TYR 1 HT1 TYR 1 24.592 10.357 3.078 2 2H TYR 1 HT2 TYR 1 25.247 8.883 3.591 3 3H TYR 1 HT3 TYR 1 23.789 9.438 4.254 4 HA TYR 1 HA TYR 1 23.128 7.821 2.750 5 1HB TYR 1 HB2 TYR 1 22.032 10.118 2.580 6 2HB TYR 1 HB1 TYR 1 23.009 10.376 1.141 7 HD1 TYR 1 HD1 TYR 1 20.618 7.878 2.558 8 HD2 TYR 1 HD2 TYR 1 22.099 9.851 -0.907 9 HE1 TYR 1 HE1 TYR 1 18.881 6.786 1.202 10 HE2 TYR 1 HE2 TYR 1 20.366 8.766 -2.271 11 HH TYR 1 HH TYR 1 18.297 6.269 -0.995 12 HA PRO 2 HA PRO 2 26.590 7.038 -0.094 13 1HB PRO 2 HB2 PRO 2 26.419 4.353 -0.016 14 2HB PRO 2 HB1 PRO 2 27.198 5.280 1.273 15 1HG PRO 2 HG2 PRO 2 24.478 4.053 1.198 16 2HG PRO 2 HG1 PRO 2 25.632 4.143 2.539 17 1HD PRO 2 HD2 PRO 2 23.460 5.817 2.227 18 2HD PRO 2 HD1 PRO 2 24.911 6.214 3.167 19 H ILE 3 HN ILE 3 26.142 7.314 -2.199 20 HA ILE 3 HA ILE 3 23.624 6.584 -3.294 21 HB ILE 3 HB ILE 3 24.671 8.545 -4.159 22 1HG1 ILE 3 HG12 ILE 3 25.061 7.587 -6.676 23 2HG1 ILE 3 HG11 ILE 3 24.142 6.270 -5.951 24 1HG2 ILE 3 HG21 ILE 3 26.839 8.757 -4.537 25 2HG2 ILE 3 HG22 ILE 3 26.821 7.439 -5.707 26 3HG2 ILE 3 HG23 ILE 3 27.043 7.093 -3.992 27 1HD1 ILE 3 HD11 ILE 3 22.260 7.530 -5.722 28 2HD1 ILE 3 HD12 ILE 3 22.957 8.277 -7.160 29 3HD1 ILE 3 HD13 ILE 3 23.155 9.042 -5.582 30 H LYS 4 HN LYS 4 26.900 5.243 -3.626 31 HA LYS 4 HA LYS 4 25.673 2.743 -4.485 32 1HB LYS 4 HB2 LYS 4 27.762 4.246 -6.039 33 2HB LYS 4 HB1 LYS 4 27.573 2.509 -6.205 34 1HG LYS 4 HG2 LYS 4 25.433 4.558 -6.748 35 2HG LYS 4 HG1 LYS 4 26.414 3.743 -7.969 36 1HD LYS 4 HD2 LYS 4 25.389 1.687 -7.598 37 2HD LYS 4 HD1 LYS 4 24.807 2.158 -6.000 38 1HE LYS 4 HE2 LYS 4 23.820 3.731 -8.306 39 2HE LYS 4 HE1 LYS 4 23.232 2.075 -8.164 40 1HZ LYS 4 HZ1 LYS 4 22.033 2.558 -6.334 41 2HZ LYS 4 HZ2 LYS 4 22.089 4.140 -6.947 42 3HZ LYS 4 HZ3 LYS 4 23.167 3.667 -5.729 43 HA PRO 5 HA PRO 5 28.948 1.859 -1.366 44 1HB PRO 5 HB2 PRO 5 27.440 0.090 0.024 45 2HB PRO 5 HB1 PRO 5 27.465 1.824 0.370 46 1HG PRO 5 HG2 PRO 5 25.453 0.222 -1.154 47 2HG PRO 5 HG1 PRO 5 25.195 1.558 -0.018 48 1HD PRO 5 HD2 PRO 5 25.089 1.858 -2.719 49 2HD PRO 5 HD1 PRO 5 25.587 3.155 -1.614 50 H GLU 6 HN GLU 6 26.954 -0.869 -1.401 51 HA GLU 6 HA GLU 6 28.385 -2.202 -3.559 52 1HB GLU 6 HB2 GLU 6 29.670 -2.790 -1.557 53 2HB GLU 6 HB1 GLU 6 28.203 -3.320 -0.748 54 1HG GLU 6 HG2 GLU 6 29.246 -5.285 -1.449 55 2HG GLU 6 HG1 GLU 6 27.968 -5.014 -2.632 56 H ALA 7 HN ALA 7 26.139 -2.991 -0.926 57 HA ALA 7 HA ALA 7 23.953 -3.555 -0.864 58 1HB ALA 7 HB1 ALA 7 22.513 -2.603 -2.322 59 2HB ALA 7 HB2 ALA 7 23.429 -3.109 -3.739 60 3HB ALA 7 HB3 ALA 7 23.961 -1.716 -2.799 61 HA PRO 8 HA PRO 8 24.288 -7.736 -2.474 62 1HB PRO 8 HB2 PRO 8 22.957 -8.928 -0.479 63 2HB PRO 8 HB1 PRO 8 24.597 -8.313 -0.238 64 1HG PRO 8 HG2 PRO 8 21.987 -7.136 0.597 65 2HG PRO 8 HG1 PRO 8 23.536 -7.157 1.457 66 1HD PRO 8 HD2 PRO 8 22.531 -5.021 -0.027 67 2HD PRO 8 HD1 PRO 8 24.223 -5.234 0.455 68 H GLY 9 HN GLY 9 22.020 -9.414 -1.777 69 1HA GLY 9 HA2 GLY 9 19.906 -8.120 -3.382 70 2HA GLY 9 HA1 GLY 9 20.276 -9.839 -3.463 71 H GLU 10 HN GLU 10 19.198 -11.189 -2.163 72 HA GLU 10 HA GLU 10 17.921 -10.043 0.218 73 1HB GLU 10 HB2 GLU 10 16.677 -11.894 -1.809 74 2HB GLU 10 HB1 GLU 10 16.005 -11.657 -0.202 75 1HG GLU 10 HG2 GLU 10 14.813 -10.026 -1.126 76 2HG GLU 10 HG1 GLU 10 16.304 -9.086 -1.099 77 H ASP 11 HN ASP 11 19.939 -12.365 -1.084 78 HA ASP 11 HA ASP 11 19.440 -14.461 0.798 79 1HB ASP 11 HB2 ASP 11 20.737 -15.625 -0.604 80 2HB ASP 11 HB1 ASP 11 20.954 -14.167 -1.559 81 H ALA 12 HN ALA 12 21.712 -11.798 0.521 82 HA ALA 12 HA ALA 12 23.051 -10.738 1.990 83 1HB ALA 12 HB1 ALA 12 20.867 -11.681 3.813 84 2HB ALA 12 HB2 ALA 12 21.111 -10.082 3.114 85 3HB ALA 12 HB3 ALA 12 22.192 -10.665 4.381 86 H SER 13 HN SER 13 22.290 -12.932 4.576 87 HA SER 13 HA SER 13 23.537 -14.353 5.813 88 1HB SER 13 HB2 SER 13 24.937 -14.671 3.169 89 2HB SER 13 HB1 SER 13 25.494 -15.519 4.613 90 HG SER 13 HG SER 13 23.749 -16.451 3.049 91 HA PRO 14 HA PRO 14 26.400 -11.834 7.838 92 1HB PRO 14 HB2 PRO 14 28.037 -13.669 9.062 93 2HB PRO 14 HB1 PRO 14 26.417 -13.239 9.620 94 1HG PRO 14 HG2 PRO 14 27.303 -15.574 7.979 95 2HG PRO 14 HG1 PRO 14 26.135 -15.520 9.313 96 1HD PRO 14 HD2 PRO 14 25.345 -15.617 6.746 97 2HD PRO 14 HD1 PRO 14 24.448 -14.683 7.964 98 H GLU 15 HN GLU 15 27.563 -13.718 5.265 99 HA GLU 15 HA GLU 15 30.248 -12.581 5.555 100 1HB GLU 15 HB2 GLU 15 29.478 -15.057 4.699 101 2HB GLU 15 HB1 GLU 15 29.714 -14.215 3.175 102 1HG GLU 15 HG2 GLU 15 31.690 -15.488 4.140 103 2HG GLU 15 HG1 GLU 15 31.978 -13.836 3.598 104 H GLU 16 HN GLU 16 27.590 -12.691 3.199 105 HA GLU 16 HA GLU 16 28.842 -10.841 1.422 106 1HB GLU 16 HB2 GLU 16 26.472 -12.478 1.433 107 2HB GLU 16 HB1 GLU 16 26.070 -10.846 0.923 108 1HG GLU 16 HG2 GLU 16 26.983 -12.828 -0.697 109 2HG GLU 16 HG1 GLU 16 27.050 -11.105 -1.057 110 H LEU 17 HN LEU 17 26.322 -10.663 3.894 111 HA LEU 17 HA LEU 17 25.728 -7.922 3.528 112 1HB LEU 17 HB2 LEU 17 24.572 -9.841 4.979 113 2HB LEU 17 HB1 LEU 17 25.547 -9.119 6.246 114 HG LEU 17 HG LEU 17 24.487 -6.917 5.728 115 1HD1 LEU 17 HD11 LEU 17 23.728 -8.024 3.395 116 2HD1 LEU 17 HD12 LEU 17 22.943 -6.621 4.117 117 3HD1 LEU 17 HD13 LEU 17 22.249 -8.228 4.332 118 1HD2 LEU 17 HD21 LEU 17 23.147 -9.282 6.862 119 2HD2 LEU 17 HD22 LEU 17 22.092 -7.920 6.482 120 3HD2 LEU 17 HD23 LEU 17 23.458 -7.698 7.574 121 H ASN 18 HN ASN 18 28.121 -9.652 5.444 122 HA ASN 18 HA ASN 18 29.095 -7.323 6.787 123 1HB ASN 18 HB2 ASN 18 29.404 -9.580 7.734 124 2HB ASN 18 HB1 ASN 18 30.426 -10.011 6.366 125 1HD2 ASN 18 HD21 ASN 18 32.510 -9.657 6.501 126 2HD2 ASN 18 HD22 ASN 18 33.304 -8.737 7.738 127 H ARG 19 HN ARG 19 29.827 -8.981 3.775 128 HA ARG 19 HA ARG 19 32.241 -7.580 3.231 129 1HB ARG 19 HB2 ARG 19 30.614 -9.499 1.913 130 2HB ARG 19 HB1 ARG 19 30.880 -8.165 0.797 131 1HG ARG 19 HG2 ARG 19 33.372 -8.427 1.570 132 2HG ARG 19 HG1 ARG 19 32.841 -10.054 2.003 133 1HD ARG 19 HD2 ARG 19 32.315 -8.868 -0.707 134 2HD ARG 19 HD1 ARG 19 33.816 -9.715 -0.336 135 HE ARG 19 HE ARG 19 31.115 -10.912 -0.311 136 1HH1 ARG 19 HH11 ARG 19 34.596 -11.221 -0.530 137 2HH1 ARG 19 HH12 ARG 19 34.557 -12.933 -0.826 138 1HH2 ARG 19 HH21 ARG 19 31.033 -13.132 -0.687 139 2HH2 ARG 19 HH22 ARG 19 32.515 -14.026 -0.935 140 H TYR 20 HN TYR 20 28.929 -7.074 2.024 141 HA TYR 20 HA TYR 20 29.420 -4.612 0.769 142 1HB TYR 20 HB2 TYR 20 27.308 -4.982 0.122 143 2HB TYR 20 HB1 TYR 20 27.173 -6.288 1.290 144 HD1 TYR 20 HD1 TYR 20 26.348 -2.808 0.555 145 HD2 TYR 20 HD2 TYR 20 26.124 -5.905 3.466 146 HE1 TYR 20 HE1 TYR 20 24.646 -1.524 1.779 147 HE2 TYR 20 HE2 TYR 20 24.423 -4.625 4.708 148 HH TYR 20 HH TYR 20 22.601 -2.645 3.808 149 H TYR 21 HN TYR 21 28.753 -5.471 4.055 150 HA TYR 21 HA TYR 21 28.130 -3.051 5.235 151 1HB TYR 21 HB2 TYR 21 28.549 -5.575 6.099 152 2HB TYR 21 HB1 TYR 21 30.018 -4.806 6.683 153 HD1 TYR 21 HD1 TYR 21 26.340 -4.745 6.858 154 HD2 TYR 21 HD2 TYR 21 29.987 -3.381 8.545 155 HE1 TYR 21 HE1 TYR 21 25.113 -3.925 8.807 156 HE2 TYR 21 HE2 TYR 21 28.791 -2.554 10.509 157 HH TYR 21 HH TYR 21 25.564 -3.416 11.183 158 H ALA 22 HN ALA 22 31.340 -4.552 5.073 159 HA ALA 22 HA ALA 22 32.622 -2.196 6.025 160 1HB ALA 22 HB1 ALA 22 33.548 -4.309 6.589 161 2HB ALA 22 HB2 ALA 22 34.712 -3.464 5.562 162 3HB ALA 22 HB3 ALA 22 33.714 -4.755 4.890 163 H SER 23 HN SER 23 31.776 -3.392 2.888 164 HA SER 23 HA SER 23 33.487 -1.679 1.390 165 1HB SER 23 HB2 SER 23 30.869 -3.024 0.700 166 2HB SER 23 HB1 SER 23 31.822 -2.095 -0.458 167 HG SER 23 HG SER 23 33.038 -3.775 -0.710 168 H LEU 24 HN LEU 24 30.445 -1.270 3.008 169 HA LEU 24 HA LEU 24 29.785 1.253 1.838 170 1HB LEU 24 HB2 LEU 24 28.022 -0.135 2.760 171 2HB LEU 24 HB1 LEU 24 28.821 -0.175 4.319 172 HG LEU 24 HG LEU 24 28.275 2.550 3.553 173 1HD1 LEU 24 HD11 LEU 24 26.466 1.456 2.250 174 2HD1 LEU 24 HD12 LEU 24 25.881 2.508 3.539 175 3HD1 LEU 24 HD13 LEU 24 25.865 0.759 3.755 176 1HD2 LEU 24 HD21 LEU 24 28.574 1.163 5.842 177 2HD2 LEU 24 HD22 LEU 24 26.816 1.264 5.767 178 3HD2 LEU 24 HD23 LEU 24 27.783 2.738 5.748 179 H ARG 25 HN ARG 25 31.373 0.069 4.758 180 HA ARG 25 HA ARG 25 31.888 2.629 5.859 181 1HB ARG 25 HB2 ARG 25 32.364 -0.040 6.609 182 2HB ARG 25 HB1 ARG 25 33.945 0.725 6.539 183 1HG ARG 25 HG2 ARG 25 32.449 0.759 8.728 184 2HG ARG 25 HG1 ARG 25 33.522 2.093 8.298 185 1HD ARG 25 HD2 ARG 25 31.377 2.929 6.997 186 2HD ARG 25 HD1 ARG 25 30.549 1.923 8.182 187 HE ARG 25 HE ARG 25 31.066 3.440 9.819 188 1HH1 ARG 25 HH11 ARG 25 32.955 4.190 6.948 189 2HH1 ARG 25 HH12 ARG 25 33.523 5.710 7.569 190 1HH2 ARG 25 HH21 ARG 25 31.795 5.428 10.609 191 2HH2 ARG 25 HH22 ARG 25 32.849 6.417 9.647 192 H HIS 26 HN HIS 26 33.599 0.563 3.600 193 HA HIS 26 HA HIS 26 35.947 2.114 3.318 194 1HB HIS 26 HB2 HIS 26 35.065 -0.289 2.335 195 2HB HIS 26 HB1 HIS 26 34.956 0.727 0.906 196 HD1 HIS 26 HD1 HIS 26 36.975 -1.671 1.359 197 HD2 HIS 26 HD2 HIS 26 37.848 2.381 1.717 198 HE1 HIS 26 HE1 HIS 26 39.457 -1.474 0.999 199 HE2 HIS 26 HE2 HIS 26 39.938 0.998 1.060 200 H TYR 27 HN TYR 27 32.938 1.958 1.447 201 HA TYR 27 HA TYR 27 33.517 4.002 -0.371 202 1HB TYR 27 HB2 TYR 27 31.650 2.323 -0.554 203 2HB TYR 27 HB1 TYR 27 30.773 3.250 0.660 204 HD1 TYR 27 HD1 TYR 27 28.915 4.084 -0.532 205 HD2 TYR 27 HD2 TYR 27 32.816 4.500 -2.185 206 HE1 TYR 27 HE1 TYR 27 28.012 5.534 -2.278 207 HE2 TYR 27 HE2 TYR 27 31.914 5.952 -3.953 208 HH TYR 27 HH TYR 27 29.880 7.483 -4.228 209 H LEU 28 HN LEU 28 31.766 4.081 2.721 210 HA LEU 28 HA LEU 28 31.124 6.835 2.590 211 1HB LEU 28 HB2 LEU 28 31.375 4.956 4.927 212 2HB LEU 28 HB1 LEU 28 30.881 6.627 5.112 213 HG LEU 28 HG LEU 28 29.352 4.301 4.179 214 1HD1 LEU 28 HD11 LEU 28 28.863 5.566 6.227 215 2HD1 LEU 28 HD12 LEU 28 27.505 5.560 5.102 216 3HD1 LEU 28 HD13 LEU 28 28.522 6.995 5.250 217 1HD2 LEU 28 HD21 LEU 28 29.599 6.666 2.465 218 2HD2 LEU 28 HD22 LEU 28 27.941 6.236 2.883 219 3HD2 LEU 28 HD23 LEU 28 28.988 5.051 2.099 220 H ASN 29 HN ASN 29 33.944 5.159 3.871 221 HA ASN 29 HA ASN 29 35.081 7.403 5.177 222 1HB ASN 29 HB2 ASN 29 35.719 5.003 5.565 223 2HB ASN 29 HB1 ASN 29 36.558 5.034 4.017 224 1HD2 ASN 29 HD21 ASN 29 36.386 7.597 6.431 225 2HD2 ASN 29 HD22 ASN 29 38.082 7.621 6.783 226 H LEU 30 HN LEU 30 35.696 5.927 2.002 227 HA LEU 30 HA LEU 30 37.608 7.853 1.198 228 1HB LEU 30 HB2 LEU 30 36.016 5.748 -0.206 229 2HB LEU 30 HB1 LEU 30 36.909 6.924 -1.150 230 HG LEU 30 HG LEU 30 38.174 5.169 0.954 231 1HD1 LEU 30 HD11 LEU 30 38.100 3.484 -0.485 232 2HD1 LEU 30 HD12 LEU 30 39.033 4.451 -1.627 233 3HD1 LEU 30 HD13 LEU 30 37.271 4.493 -1.672 234 1HD2 LEU 30 HD21 LEU 30 39.403 7.210 0.514 235 2HD2 LEU 30 HD22 LEU 30 39.329 6.910 -1.222 236 3HD2 LEU 30 HD23 LEU 30 40.257 5.832 -0.179 237 H VAL 31 HN VAL 31 34.119 7.727 0.999 238 HA VAL 31 HA VAL 31 33.819 9.815 -0.898 239 HB VAL 31 HB VAL 31 32.088 8.046 0.310 240 1HG1 VAL 31 HG11 VAL 31 30.681 10.506 1.001 241 2HG1 VAL 31 HG12 VAL 31 32.040 10.147 2.067 242 3HG1 VAL 31 HG13 VAL 31 30.753 8.960 1.848 243 1HG2 VAL 31 HG21 VAL 31 32.074 9.272 -1.948 244 2HG2 VAL 31 HG22 VAL 31 31.086 10.478 -1.122 245 3HG2 VAL 31 HG23 VAL 31 30.528 8.809 -1.237 246 H THR 32 HN THR 32 34.554 9.777 2.471 247 HA THR 32 HA THR 32 34.123 12.674 2.636 248 HB THR 32 HB THR 32 35.050 11.062 4.983 249 HG1 THR 32 HG1 THR 32 33.243 9.895 4.110 250 1HG2 THR 32 HG21 THR 32 34.398 12.855 6.178 251 2HG2 THR 32 HG22 THR 32 32.910 13.050 5.252 252 3HG2 THR 32 HG23 THR 32 34.428 13.697 4.628 253 H ARG 33 HN ARG 33 36.388 10.789 1.467 254 HA ARG 33 HA ARG 33 38.539 12.615 2.177 255 1HB ARG 33 HB2 ARG 33 38.447 10.364 3.616 256 2HB ARG 33 HB1 ARG 33 39.264 9.726 2.196 257 1HG ARG 33 HG2 ARG 33 41.141 10.411 3.170 258 2HG ARG 33 HG1 ARG 33 40.651 12.041 2.701 259 1HD ARG 33 HD2 ARG 33 40.181 10.667 5.340 260 2HD ARG 33 HD1 ARG 33 41.194 12.075 5.027 261 HE ARG 33 HE ARG 33 38.368 12.376 4.402 262 1HH1 ARG 33 HH11 ARG 33 40.918 12.857 6.756 263 2HH1 ARG 33 HH12 ARG 33 40.057 14.090 7.628 264 1HH2 ARG 33 HH21 ARG 33 37.233 13.984 5.540 265 2HH2 ARG 33 HH22 ARG 33 37.965 14.751 6.919 266 H GLN 34 HN GLN 34 37.610 13.012 -0.093 267 HA GLN 34 HA GLN 34 38.383 11.227 -2.193 268 1HB GLN 34 HB2 GLN 34 36.847 13.632 -1.921 269 2HB GLN 34 HB1 GLN 34 38.029 13.852 -3.207 270 1HG GLN 34 HG2 GLN 34 37.086 11.403 -3.820 271 2HG GLN 34 HG1 GLN 34 35.655 12.127 -3.089 272 1HE2 GLN 34 HE21 GLN 34 38.258 13.219 -5.261 273 2HE2 GLN 34 HE22 GLN 34 37.204 13.925 -6.433 274 H ARG 35 HN ARG 35 40.631 11.424 -0.831 275 HA ARG 35 HA ARG 35 42.298 13.535 -1.985 276 1HB ARG 35 HB2 ARG 35 42.541 13.294 0.395 277 2HB ARG 35 HB1 ARG 35 42.766 11.558 0.251 278 1HG ARG 35 HG2 ARG 35 44.947 11.983 0.360 279 2HG ARG 35 HG1 ARG 35 44.803 12.572 -1.297 280 1HD ARG 35 HD2 ARG 35 44.480 14.828 -0.510 281 2HD ARG 35 HD1 ARG 35 44.458 14.277 1.166 282 HE ARG 35 HE ARG 35 46.865 13.658 -0.339 283 1HH1 ARG 35 HH11 ARG 35 45.260 15.876 1.846 284 2HH1 ARG 35 HH12 ARG 35 46.745 16.550 2.456 285 1HH2 ARG 35 HH21 ARG 35 48.820 14.527 0.468 286 2HH2 ARG 35 HH22 ARG 35 48.773 15.799 1.657 287 H TYR 36 HN TYR 36 42.529 12.831 -4.068 288 HA TYR 36 HA TYR 36 43.396 11.716 -5.837 289 1HB TYR 36 HB2 TYR 36 45.416 12.051 -3.961 290 2HB TYR 36 HB1 TYR 36 45.548 10.356 -4.418 291 HD1 TYR 36 HD1 TYR 36 44.371 13.024 -6.677 292 HD2 TYR 36 HD2 TYR 36 47.623 10.509 -5.581 293 HE1 TYR 36 HE1 TYR 36 45.548 13.659 -8.740 294 HE2 TYR 36 HE2 TYR 36 48.816 11.141 -7.637 295 HH TYR 36 HH TYR 36 48.326 11.994 -9.862 296 1HN NH2 37 H1 NH2 37 41.629 8.609 -5.226 297 2HN NH2 37 H2 NH2 37 41.326 10.305 -5.350 Start of MODEL 2 1 1H TYR 1 HT1 TYR 1 35.691 1.602 -12.879 2 2H TYR 1 HT2 TYR 1 34.244 1.826 -13.732 3 3H TYR 1 HT3 TYR 1 34.678 0.277 -13.193 4 HA TYR 1 HA TYR 1 33.932 2.598 -11.520 5 1HB TYR 1 HB2 TYR 1 32.582 0.028 -12.294 6 2HB TYR 1 HB1 TYR 1 32.214 0.777 -10.746 7 HD1 TYR 1 HD1 TYR 1 32.621 3.671 -11.980 8 HD2 TYR 1 HD2 TYR 1 30.281 0.276 -13.034 9 HE1 TYR 1 HE1 TYR 1 30.990 5.146 -13.087 10 HE2 TYR 1 HE2 TYR 1 28.651 1.733 -14.151 11 HH TYR 1 HH TYR 1 28.820 4.153 -15.270 12 HA PRO 2 HA PRO 2 36.269 0.502 -8.331 13 1HB PRO 2 HB2 PRO 2 35.305 1.816 -6.183 14 2HB PRO 2 HB1 PRO 2 36.412 2.581 -7.329 15 1HG PRO 2 HG2 PRO 2 33.447 2.843 -7.091 16 2HG PRO 2 HG1 PRO 2 34.657 4.090 -7.435 17 1HD PRO 2 HD2 PRO 2 33.106 2.878 -9.352 18 2HD PRO 2 HD1 PRO 2 34.692 3.605 -9.670 19 H ILE 3 HN ILE 3 35.293 0.043 -5.764 20 HA ILE 3 HA ILE 3 33.853 -2.322 -6.030 21 HB ILE 3 HB ILE 3 34.786 -2.413 -3.984 22 1HG1 ILE 3 HG12 ILE 3 33.146 -1.205 -2.198 23 2HG1 ILE 3 HG11 ILE 3 32.085 -1.253 -3.606 24 1HG2 ILE 3 HG21 ILE 3 36.045 -0.608 -3.608 25 2HG2 ILE 3 HG22 ILE 3 34.710 -0.064 -2.590 26 3HG2 ILE 3 HG23 ILE 3 34.833 0.494 -4.260 27 1HD1 ILE 3 HD11 ILE 3 32.572 -3.294 -1.763 28 2HD1 ILE 3 HD12 ILE 3 33.387 -3.792 -3.247 29 3HD1 ILE 3 HD13 ILE 3 31.666 -3.403 -3.272 30 H LYS 4 HN LYS 4 32.733 0.894 -5.087 31 HA LYS 4 HA LYS 4 30.658 1.636 -4.443 32 1HB LYS 4 HB2 LYS 4 29.063 1.464 -6.498 33 2HB LYS 4 HB1 LYS 4 30.515 2.446 -6.574 34 1HG LYS 4 HG2 LYS 4 31.122 1.360 -8.393 35 2HG LYS 4 HG1 LYS 4 31.228 -0.130 -7.452 36 1HD LYS 4 HD2 LYS 4 28.525 0.137 -7.871 37 2HD LYS 4 HD1 LYS 4 29.214 0.737 -9.381 38 1HE LYS 4 HE2 LYS 4 28.956 -1.546 -9.761 39 2HE LYS 4 HE1 LYS 4 30.657 -1.378 -9.333 40 1HZ LYS 4 HZ1 LYS 4 30.178 -2.135 -7.117 41 2HZ LYS 4 HZ2 LYS 4 29.557 -3.262 -8.225 42 3HZ LYS 4 HZ3 LYS 4 28.510 -2.186 -7.438 43 HA PRO 5 HA PRO 5 28.854 -2.360 -3.181 44 1HB PRO 5 HB2 PRO 5 28.267 -1.647 -0.643 45 2HB PRO 5 HB1 PRO 5 29.888 -2.148 -1.138 46 1HG PRO 5 HG2 PRO 5 28.798 0.603 -0.716 47 2HG PRO 5 HG1 PRO 5 30.375 -0.059 -0.250 48 1HD PRO 5 HD2 PRO 5 30.002 1.497 -2.455 49 2HD PRO 5 HD1 PRO 5 31.270 0.266 -2.335 50 H GLU 6 HN GLU 6 26.962 -2.452 -4.268 51 HA GLU 6 HA GLU 6 24.751 -0.711 -3.590 52 1HB GLU 6 HB2 GLU 6 24.691 -3.237 -5.253 53 2HB GLU 6 HB1 GLU 6 23.504 -1.941 -5.242 54 1HG GLU 6 HG2 GLU 6 24.600 -0.823 -6.805 55 2HG GLU 6 HG1 GLU 6 26.109 -0.914 -5.895 56 H ALA 7 HN ALA 7 22.574 -2.166 -3.301 57 HA ALA 7 HA ALA 7 22.785 -3.283 -0.715 58 1HB ALA 7 HB1 ALA 7 20.421 -4.234 -1.954 59 2HB ALA 7 HB2 ALA 7 20.700 -2.581 -2.503 60 3HB ALA 7 HB3 ALA 7 20.606 -2.933 -0.778 61 HA PRO 8 HA PRO 8 24.232 -7.294 -1.562 62 1HB PRO 8 HB2 PRO 8 23.303 -8.674 0.567 63 2HB PRO 8 HB1 PRO 8 24.558 -7.438 0.704 64 1HG PRO 8 HG2 PRO 8 21.626 -7.230 1.268 65 2HG PRO 8 HG1 PRO 8 22.991 -6.605 2.210 66 1HD PRO 8 HD2 PRO 8 21.518 -5.056 0.537 67 2HD PRO 8 HD1 PRO 8 23.236 -4.758 0.863 68 H GLY 9 HN GLY 9 21.216 -6.610 -2.331 69 1HA GLY 9 HA2 GLY 9 19.774 -7.736 -3.751 70 2HA GLY 9 HA1 GLY 9 20.777 -9.171 -3.570 71 H GLU 10 HN GLU 10 20.096 -7.905 -0.617 72 HA GLU 10 HA GLU 10 18.862 -8.509 1.149 73 1HB GLU 10 HB2 GLU 10 16.854 -8.795 -1.055 74 2HB GLU 10 HB1 GLU 10 16.428 -9.219 0.599 75 1HG GLU 10 HG2 GLU 10 15.840 -7.077 0.794 76 2HG GLU 10 HG1 GLU 10 17.569 -6.772 0.937 77 H ASP 11 HN ASP 11 20.180 -10.635 -0.781 78 HA ASP 11 HA ASP 11 19.026 -12.991 0.563 79 1HB ASP 11 HB2 ASP 11 18.966 -12.812 -2.019 80 2HB ASP 11 HB1 ASP 11 20.702 -13.109 -1.942 81 H ALA 12 HN ALA 12 21.495 -10.911 0.724 82 HA ALA 12 HA ALA 12 23.494 -12.915 1.507 83 1HB ALA 12 HB1 ALA 12 24.740 -10.429 1.404 84 2HB ALA 12 HB2 ALA 12 23.637 -10.435 0.026 85 3HB ALA 12 HB3 ALA 12 24.840 -11.714 0.198 86 H SER 13 HN SER 13 23.263 -13.296 3.617 87 HA SER 13 HA SER 13 22.704 -11.027 5.387 88 1HB SER 13 HB2 SER 13 22.425 -13.792 6.420 89 2HB SER 13 HB1 SER 13 21.419 -12.372 6.698 90 HG SER 13 HG SER 13 21.499 -13.956 4.333 91 HA PRO 14 HA PRO 14 26.190 -13.174 7.742 92 1HB PRO 14 HB2 PRO 14 27.493 -15.266 6.316 93 2HB PRO 14 HB1 PRO 14 26.413 -15.416 7.704 94 1HG PRO 14 HG2 PRO 14 25.847 -16.302 5.140 95 2HG PRO 14 HG1 PRO 14 24.641 -15.986 6.399 96 1HD PRO 14 HD2 PRO 14 25.489 -14.266 4.106 97 2HD PRO 14 HD1 PRO 14 23.869 -14.515 4.791 98 H GLU 15 HN GLU 15 28.406 -14.552 5.691 99 HA GLU 15 HA GLU 15 30.250 -12.464 6.125 100 1HB GLU 15 HB2 GLU 15 30.256 -15.112 4.908 101 2HB GLU 15 HB1 GLU 15 31.338 -13.991 4.090 102 1HG GLU 15 HG2 GLU 15 31.425 -14.125 7.056 103 2HG GLU 15 HG1 GLU 15 32.135 -15.447 6.129 104 H GLU 16 HN GLU 16 28.123 -13.183 3.511 105 HA GLU 16 HA GLU 16 29.258 -11.554 1.520 106 1HB GLU 16 HB2 GLU 16 26.434 -12.502 2.017 107 2HB GLU 16 HB1 GLU 16 26.901 -11.585 0.590 108 1HG GLU 16 HG2 GLU 16 26.997 -13.735 -0.187 109 2HG GLU 16 HG1 GLU 16 28.671 -13.457 0.285 110 H LEU 17 HN LEU 17 26.838 -10.980 4.053 111 HA LEU 17 HA LEU 17 26.431 -8.242 3.299 112 1HB LEU 17 HB2 LEU 17 24.729 -9.539 4.543 113 2HB LEU 17 HB1 LEU 17 25.818 -9.631 5.913 114 HG LEU 17 HG LEU 17 25.591 -6.897 5.340 115 1HD1 LEU 17 HD11 LEU 17 23.107 -6.613 5.551 116 2HD1 LEU 17 HD12 LEU 17 22.947 -8.322 5.140 117 3HD1 LEU 17 HD13 LEU 17 23.664 -7.199 3.983 118 1HD2 LEU 17 HD21 LEU 17 24.733 -8.777 7.462 119 2HD2 LEU 17 HD22 LEU 17 24.034 -7.159 7.475 120 3HD2 LEU 17 HD23 LEU 17 25.783 -7.365 7.556 121 H ASN 18 HN ASN 18 28.382 -10.007 5.616 122 HA ASN 18 HA ASN 18 29.580 -7.893 6.982 123 1HB ASN 18 HB2 ASN 18 29.853 -10.219 7.665 124 2HB ASN 18 HB1 ASN 18 30.747 -10.572 6.190 125 1HD2 ASN 18 HD21 ASN 18 32.767 -10.941 6.729 126 2HD2 ASN 18 HD22 ASN 18 33.720 -9.968 7.801 127 H ARG 19 HN ARG 19 30.495 -9.467 3.932 128 HA ARG 19 HA ARG 19 32.874 -8.002 3.512 129 1HB ARG 19 HB2 ARG 19 31.007 -9.473 1.671 130 2HB ARG 19 HB1 ARG 19 32.374 -8.574 1.032 131 1HG ARG 19 HG2 ARG 19 32.332 -11.068 2.650 132 2HG ARG 19 HG1 ARG 19 33.277 -10.666 1.219 133 1HD ARG 19 HD2 ARG 19 34.910 -9.624 2.419 134 2HD ARG 19 HD1 ARG 19 33.801 -9.107 3.687 135 HE ARG 19 HE ARG 19 33.837 -11.469 4.469 136 1HH1 ARG 19 HH11 ARG 19 36.479 -10.213 2.536 137 2HH1 ARG 19 HH12 ARG 19 37.637 -11.368 3.124 138 1HH2 ARG 19 HH21 ARG 19 35.342 -12.978 5.263 139 2HH2 ARG 19 HH22 ARG 19 36.986 -12.939 4.688 140 H TYR 20 HN TYR 20 29.625 -7.501 2.107 141 HA TYR 20 HA TYR 20 30.296 -5.088 0.807 142 1HB TYR 20 HB2 TYR 20 28.294 -5.481 -0.109 143 2HB TYR 20 HB1 TYR 20 28.022 -6.774 1.043 144 HD1 TYR 20 HD1 TYR 20 26.842 -6.223 3.224 145 HD2 TYR 20 HD2 TYR 20 27.022 -3.490 -0.039 146 HE1 TYR 20 HE1 TYR 20 24.930 -4.987 4.153 147 HE2 TYR 20 HE2 TYR 20 25.108 -2.252 0.886 148 HH TYR 20 HH TYR 20 23.289 -3.458 3.617 149 H TYR 21 HN TYR 21 29.346 -5.836 4.036 150 HA TYR 21 HA TYR 21 28.473 -3.365 4.985 151 1HB TYR 21 HB2 TYR 21 28.775 -5.835 6.045 152 2HB TYR 21 HB1 TYR 21 30.141 -5.014 6.789 153 HD1 TYR 21 HD1 TYR 21 29.816 -3.319 8.438 154 HD2 TYR 21 HD2 TYR 21 26.497 -5.151 6.529 155 HE1 TYR 21 HE1 TYR 21 28.339 -2.377 10.145 156 HE2 TYR 21 HE2 TYR 21 24.992 -4.219 8.230 157 HH TYR 21 HH TYR 21 24.826 -2.612 9.871 158 H ALA 22 HN ALA 22 31.691 -4.811 5.444 159 HA ALA 22 HA ALA 22 32.756 -2.402 6.506 160 1HB ALA 22 HB1 ALA 22 34.048 -4.961 5.614 161 2HB ALA 22 HB2 ALA 22 33.663 -4.445 7.260 162 3HB ALA 22 HB3 ALA 22 34.935 -3.625 6.349 163 H SER 23 HN SER 23 32.679 -3.810 3.295 164 HA SER 23 HA SER 23 34.540 -2.055 2.091 165 1HB SER 23 HB2 SER 23 32.126 -3.345 0.798 166 2HB SER 23 HB1 SER 23 33.557 -2.723 -0.026 167 HG SER 23 HG SER 23 33.268 -5.019 1.576 168 H LEU 24 HN LEU 24 31.094 -1.805 2.758 169 HA LEU 24 HA LEU 24 30.599 0.611 1.405 170 1HB LEU 24 HB2 LEU 24 28.735 -0.739 2.041 171 2HB LEU 24 HB1 LEU 24 29.249 -0.774 3.719 172 HG LEU 24 HG LEU 24 28.873 1.835 3.534 173 1HD1 LEU 24 HD11 LEU 24 26.536 1.341 1.928 174 2HD1 LEU 24 HD12 LEU 24 28.004 0.997 1.014 175 3HD1 LEU 24 HD13 LEU 24 27.779 2.587 1.754 176 1HD2 LEU 24 HD21 LEU 24 26.612 1.495 4.388 177 2HD2 LEU 24 HD22 LEU 24 27.745 0.342 5.092 178 3HD2 LEU 24 HD23 LEU 24 26.640 -0.172 3.817 179 H ARG 25 HN ARG 25 31.545 -0.176 4.719 180 HA ARG 25 HA ARG 25 31.471 2.446 5.728 181 1HB ARG 25 HB2 ARG 25 32.970 -0.027 6.550 182 2HB ARG 25 HB1 ARG 25 33.178 1.496 7.406 183 1HG ARG 25 HG2 ARG 25 31.160 1.374 8.395 184 2HG ARG 25 HG1 ARG 25 30.395 0.643 6.982 185 1HD ARG 25 HD2 ARG 25 30.343 -1.134 8.418 186 2HD ARG 25 HD1 ARG 25 31.903 -1.407 7.645 187 HE ARG 25 HE ARG 25 32.261 0.217 9.922 188 1HH1 ARG 25 HH11 ARG 25 31.484 -3.108 9.099 189 2HH1 ARG 25 HH12 ARG 25 32.166 -3.754 10.560 190 1HH2 ARG 25 HH21 ARG 25 33.137 -0.627 11.821 191 2HH2 ARG 25 HH22 ARG 25 33.082 -2.338 12.112 192 H HIS 26 HN HIS 26 34.078 0.592 4.215 193 HA HIS 26 HA HIS 26 36.069 2.602 4.516 194 1HB HIS 26 HB2 HIS 26 36.118 -0.022 3.818 195 2HB HIS 26 HB1 HIS 26 36.302 0.727 2.238 196 HD1 HIS 26 HD1 HIS 26 38.423 -0.836 4.335 197 HD2 HIS 26 HD2 HIS 26 38.386 3.108 2.986 198 HE1 HIS 26 HE1 HIS 26 40.785 -0.008 4.568 199 HE2 HIS 26 HE2 HIS 26 40.768 2.339 3.659 200 H TYR 27 HN TYR 27 34.050 1.594 1.770 201 HA TYR 27 HA TYR 27 35.041 3.502 -0.038 202 1HB TYR 27 HB2 TYR 27 33.741 1.467 -0.676 203 2HB TYR 27 HB1 TYR 27 32.289 2.251 -0.062 204 HD1 TYR 27 HD1 TYR 27 30.968 3.445 -1.542 205 HD2 TYR 27 HD2 TYR 27 35.079 2.858 -2.478 206 HE1 TYR 27 HE1 TYR 27 30.618 4.519 -3.726 207 HE2 TYR 27 HE2 TYR 27 34.739 3.927 -4.664 208 HH TYR 27 HH TYR 27 32.096 5.768 -5.421 209 H LEU 28 HN LEU 28 32.125 3.529 2.011 210 HA LEU 28 HA LEU 28 31.246 6.089 1.171 211 1HB LEU 28 HB2 LEU 28 30.537 4.193 3.279 212 2HB LEU 28 HB1 LEU 28 30.310 5.864 3.754 213 HG LEU 28 HG LEU 28 28.810 6.238 1.895 214 1HD1 LEU 28 HD11 LEU 28 29.891 4.796 0.254 215 2HD1 LEU 28 HD12 LEU 28 28.157 4.477 0.365 216 3HD1 LEU 28 HD13 LEU 28 29.313 3.377 1.124 217 1HD2 LEU 28 HD21 LEU 28 27.010 5.264 2.855 218 2HD2 LEU 28 HD22 LEU 28 28.197 4.902 4.111 219 3HD2 LEU 28 HD23 LEU 28 27.767 3.674 2.919 220 H ASN 29 HN ASN 29 33.531 5.084 3.650 221 HA ASN 29 HA ASN 29 33.870 7.569 4.927 222 1HB ASN 29 HB2 ASN 29 34.829 5.656 5.970 223 2HB ASN 29 HB1 ASN 29 35.727 5.222 4.523 224 1HD2 ASN 29 HD21 ASN 29 35.618 7.215 7.339 225 2HD2 ASN 29 HD22 ASN 29 37.221 7.859 7.205 226 H LEU 30 HN LEU 30 35.289 6.215 1.993 227 HA LEU 30 HA LEU 30 36.976 8.479 1.500 228 1HB LEU 30 HB2 LEU 30 36.462 5.936 0.293 229 2HB LEU 30 HB1 LEU 30 36.343 7.179 -0.937 230 HG LEU 30 HG LEU 30 38.693 7.500 0.760 231 1HD1 LEU 30 HD11 LEU 30 38.397 4.980 -0.868 232 2HD1 LEU 30 HD12 LEU 30 38.624 5.089 0.877 233 3HD1 LEU 30 HD13 LEU 30 39.916 5.590 -0.213 234 1HD2 LEU 30 HD21 LEU 30 39.531 8.364 -1.130 235 2HD2 LEU 30 HD22 LEU 30 37.874 8.282 -1.731 236 3HD2 LEU 30 HD23 LEU 30 39.011 6.986 -2.101 237 H VAL 31 HN VAL 31 33.688 7.611 0.713 238 HA VAL 31 HA VAL 31 33.293 9.596 -1.296 239 HB VAL 31 HB VAL 31 31.292 8.013 0.324 240 1HG1 VAL 31 HG11 VAL 31 30.661 10.307 -0.944 241 2HG1 VAL 31 HG12 VAL 31 29.557 8.941 -0.775 242 3HG1 VAL 31 HG13 VAL 31 30.475 9.151 -2.267 243 1HG2 VAL 31 HG21 VAL 31 32.719 6.653 -1.105 244 2HG2 VAL 31 HG22 VAL 31 32.304 7.656 -2.493 245 3HG2 VAL 31 HG23 VAL 31 31.065 6.676 -1.711 246 H THR 32 HN THR 32 33.346 9.732 2.144 247 HA THR 32 HA THR 32 31.486 11.887 2.450 248 HB THR 32 HB THR 32 33.340 11.825 4.633 249 HG1 THR 32 HG1 THR 32 32.363 9.283 3.760 250 1HG2 THR 32 HG21 THR 32 30.691 12.164 4.317 251 2HG2 THR 32 HG22 THR 32 31.430 11.732 5.857 252 3HG2 THR 32 HG23 THR 32 30.713 10.482 4.844 253 H ARG 33 HN ARG 33 33.777 12.253 0.559 254 HA ARG 33 HA ARG 33 35.107 14.589 1.677 255 1HB ARG 33 HB2 ARG 33 36.406 14.631 -0.328 256 2HB ARG 33 HB1 ARG 33 36.277 12.945 0.149 257 1HG ARG 33 HG2 ARG 33 34.124 13.243 -1.515 258 2HG ARG 33 HG1 ARG 33 35.329 14.294 -2.258 259 1HD ARG 33 HD2 ARG 33 36.810 12.544 -2.631 260 2HD ARG 33 HD1 ARG 33 36.061 11.521 -1.408 261 HE ARG 33 HE ARG 33 34.103 11.844 -3.268 262 1HH1 ARG 33 HH11 ARG 33 37.446 10.805 -3.466 263 2HH1 ARG 33 HH12 ARG 33 37.150 9.693 -4.775 264 1HH2 ARG 33 HH21 ARG 33 33.729 10.389 -5.010 265 2HH2 ARG 33 HH22 ARG 33 35.060 9.479 -5.648 266 H GLN 34 HN GLN 34 32.140 14.011 0.661 267 HA GLN 34 HA GLN 34 30.370 15.325 0.177 268 1HB GLN 34 HB2 GLN 34 32.363 17.249 0.859 269 2HB GLN 34 HB1 GLN 34 31.446 17.852 -0.515 270 1HG GLN 34 HG2 GLN 34 30.685 18.302 1.964 271 2HG GLN 34 HG1 GLN 34 29.519 18.047 0.668 272 1HE2 GLN 34 HE21 GLN 34 30.951 16.732 3.542 273 2HE2 GLN 34 HE22 GLN 34 29.840 15.421 3.741 274 H ARG 35 HN ARG 35 33.022 14.964 -1.876 275 HA ARG 35 HA ARG 35 31.411 15.639 -4.226 276 1HB ARG 35 HB2 ARG 35 34.266 15.615 -3.650 277 2HB ARG 35 HB1 ARG 35 33.889 14.702 -5.104 278 1HG ARG 35 HG2 ARG 35 34.417 17.018 -5.625 279 2HG ARG 35 HG1 ARG 35 32.744 16.632 -6.041 280 1HD ARG 35 HD2 ARG 35 32.164 18.444 -4.872 281 2HD ARG 35 HD1 ARG 35 32.580 17.516 -3.429 282 HE ARG 35 HE ARG 35 34.580 18.689 -3.257 283 1HH1 ARG 35 HH11 ARG 35 32.804 19.654 -6.130 284 2HH1 ARG 35 HH12 ARG 35 33.833 21.026 -6.446 285 1HH2 ARG 35 HH21 ARG 35 35.877 20.495 -3.633 286 2HH2 ARG 35 HH22 ARG 35 35.585 21.512 -5.018 287 H TYR 36 HN TYR 36 30.411 14.059 -5.322 288 HA TYR 36 HA TYR 36 30.746 11.332 -4.410 289 1HB TYR 36 HB2 TYR 36 28.649 12.844 -5.601 290 2HB TYR 36 HB1 TYR 36 29.003 11.489 -6.670 291 HD1 TYR 36 HD1 TYR 36 28.111 9.390 -6.208 292 HD2 TYR 36 HD2 TYR 36 28.298 12.282 -3.096 293 HE1 TYR 36 HE1 TYR 36 26.827 7.888 -4.746 294 HE2 TYR 36 HE2 TYR 36 27.006 10.792 -1.624 295 HH TYR 36 HH TYR 36 25.246 8.243 -2.669 296 1HN NH2 37 H1 NH2 37 31.966 11.762 -8.305 297 2HN NH2 37 H2 NH2 37 30.794 12.848 -7.651 Start of MODEL 3 1 1H TYR 1 HT1 TYR 1 36.067 0.561 -9.208 2 2H TYR 1 HT2 TYR 1 37.056 1.778 -8.557 3 3H TYR 1 HT3 TYR 1 36.954 1.576 -10.234 4 HA TYR 1 HA TYR 1 35.634 3.444 -9.039 5 1HB TYR 1 HB2 TYR 1 35.346 1.974 -11.465 6 2HB TYR 1 HB1 TYR 1 33.737 2.336 -10.857 7 HD1 TYR 1 HD1 TYR 1 35.350 4.931 -9.495 8 HD2 TYR 1 HD2 TYR 1 34.446 3.458 -13.384 9 HE1 TYR 1 HE1 TYR 1 35.525 7.214 -10.394 10 HE2 TYR 1 HE2 TYR 1 34.623 5.736 -14.295 11 HH TYR 1 HH TYR 1 36.014 8.290 -12.623 12 HA PRO 2 HA PRO 2 32.756 1.200 -6.300 13 1HB PRO 2 HB2 PRO 2 33.003 3.520 -4.592 14 2HB PRO 2 HB1 PRO 2 33.447 1.847 -4.252 15 1HG PRO 2 HG2 PRO 2 35.275 3.840 -4.553 16 2HG PRO 2 HG1 PRO 2 35.611 2.145 -4.948 17 1HD PRO 2 HD2 PRO 2 34.900 4.410 -6.779 18 2HD PRO 2 HD1 PRO 2 36.106 3.123 -6.995 19 H ILE 3 HN ILE 3 32.522 4.583 -5.697 20 HA ILE 3 HA ILE 3 31.002 6.173 -5.951 21 HB ILE 3 HB ILE 3 30.300 6.720 -8.002 22 1HG1 ILE 3 HG12 ILE 3 29.955 4.039 -9.218 23 2HG1 ILE 3 HG11 ILE 3 28.782 4.498 -7.990 24 1HG2 ILE 3 HG21 ILE 3 32.418 6.505 -8.670 25 2HG2 ILE 3 HG22 ILE 3 31.752 5.242 -9.706 26 3HG2 ILE 3 HG23 ILE 3 32.513 4.813 -8.173 27 1HD1 ILE 3 HD11 ILE 3 28.925 5.283 -10.728 28 2HD1 ILE 3 HD12 ILE 3 29.045 6.712 -9.702 29 3HD1 ILE 3 HD13 ILE 3 27.670 5.615 -9.534 30 H LYS 4 HN LYS 4 29.527 3.010 -6.531 31 HA LYS 4 HA LYS 4 27.646 3.472 -4.429 32 1HB LYS 4 HB2 LYS 4 26.846 4.409 -6.933 33 2HB LYS 4 HB1 LYS 4 26.064 2.841 -6.788 34 1HG LYS 4 HG2 LYS 4 25.861 5.070 -4.770 35 2HG LYS 4 HG1 LYS 4 24.654 4.692 -6.000 36 1HD LYS 4 HD2 LYS 4 25.562 2.810 -3.821 37 2HD LYS 4 HD1 LYS 4 24.082 3.768 -3.780 38 1HE LYS 4 HE2 LYS 4 24.554 2.014 -6.135 39 2HE LYS 4 HE1 LYS 4 24.105 1.248 -4.613 40 1HZ LYS 4 HZ1 LYS 4 22.131 1.668 -5.824 41 2HZ LYS 4 HZ2 LYS 4 22.565 3.279 -6.131 42 3HZ LYS 4 HZ3 LYS 4 22.168 2.796 -4.553 43 HA PRO 5 HA PRO 5 28.280 -0.979 -4.906 44 1HB PRO 5 HB2 PRO 5 27.484 -1.175 -2.135 45 2HB PRO 5 HB1 PRO 5 29.073 -1.474 -2.845 46 1HG PRO 5 HG2 PRO 5 28.498 0.616 -1.167 47 2HG PRO 5 HG1 PRO 5 29.823 0.614 -2.345 48 1HD PRO 5 HD2 PRO 5 27.131 1.901 -2.514 49 2HD PRO 5 HD1 PRO 5 28.701 2.484 -3.105 50 H GLU 6 HN GLU 6 26.623 -1.999 -5.866 51 HA GLU 6 HA GLU 6 23.895 -1.420 -5.349 52 1HB GLU 6 HB2 GLU 6 25.342 -3.544 -6.890 53 2HB GLU 6 HB1 GLU 6 23.611 -3.687 -6.626 54 1HG GLU 6 HG2 GLU 6 23.624 -1.210 -7.537 55 2HG GLU 6 HG1 GLU 6 25.131 -1.746 -8.276 56 H ALA 7 HN ALA 7 23.286 -1.708 -3.281 57 HA ALA 7 HA ALA 7 24.245 -3.698 -1.557 58 1HB ALA 7 HB1 ALA 7 22.761 -1.412 -1.272 59 2HB ALA 7 HB2 ALA 7 23.110 -2.570 0.011 60 3HB ALA 7 HB3 ALA 7 21.594 -2.676 -0.882 61 HA PRO 8 HA PRO 8 21.881 -7.208 -3.064 62 1HB PRO 8 HB2 PRO 8 23.010 -8.369 -0.572 63 2HB PRO 8 HB1 PRO 8 23.102 -8.973 -2.230 64 1HG PRO 8 HG2 PRO 8 25.232 -7.893 -1.058 65 2HG PRO 8 HG1 PRO 8 24.886 -7.578 -2.770 66 1HD PRO 8 HD2 PRO 8 24.392 -5.834 -0.381 67 2HD PRO 8 HD1 PRO 8 25.022 -5.396 -1.986 68 H GLY 9 HN GLY 9 21.990 -6.060 0.281 69 1HA GLY 9 HA2 GLY 9 19.611 -5.313 0.904 70 2HA GLY 9 HA1 GLY 9 19.263 -7.029 0.696 71 H GLU 10 HN GLU 10 18.699 -6.182 3.104 72 HA GLU 10 HA GLU 10 20.951 -6.351 4.859 73 1HB GLU 10 HB2 GLU 10 17.988 -6.154 5.202 74 2HB GLU 10 HB1 GLU 10 18.924 -6.786 6.550 75 1HG GLU 10 HG2 GLU 10 18.566 -4.406 6.797 76 2HG GLU 10 HG1 GLU 10 20.278 -4.757 6.565 77 H ASP 11 HN ASP 11 18.516 -8.484 3.576 78 HA ASP 11 HA ASP 11 19.561 -10.768 5.028 79 1HB ASP 11 HB2 ASP 11 17.122 -10.552 4.452 80 2HB ASP 11 HB1 ASP 11 17.565 -10.758 2.759 81 H ALA 12 HN ALA 12 21.731 -10.275 4.133 82 HA ALA 12 HA ALA 12 22.077 -11.686 1.565 83 1HB ALA 12 HB1 ALA 12 22.700 -9.206 1.648 84 2HB ALA 12 HB2 ALA 12 23.909 -10.325 1.020 85 3HB ALA 12 HB3 ALA 12 24.052 -9.708 2.664 86 H SER 13 HN SER 13 22.072 -12.320 4.607 87 HA SER 13 HA SER 13 23.079 -13.757 6.031 88 1HB SER 13 HB2 SER 13 24.923 -14.546 3.767 89 2HB SER 13 HB1 SER 13 24.487 -15.498 5.189 90 HG SER 13 HG SER 13 22.281 -14.722 3.821 91 HA PRO 14 HA PRO 14 26.160 -11.417 8.029 92 1HB PRO 14 HB2 PRO 14 27.725 -13.494 9.080 93 2HB PRO 14 HB1 PRO 14 26.324 -12.743 9.844 94 1HG PRO 14 HG2 PRO 14 26.501 -15.266 8.269 95 2HG PRO 14 HG1 PRO 14 25.508 -14.893 9.691 96 1HD PRO 14 HD2 PRO 14 24.429 -14.974 7.253 97 2HD PRO 14 HD1 PRO 14 23.924 -13.740 8.429 98 H GLU 15 HN GLU 15 27.361 -14.059 5.996 99 HA GLU 15 HA GLU 15 30.047 -13.195 5.873 100 1HB GLU 15 HB2 GLU 15 28.383 -15.197 4.624 101 2HB GLU 15 HB1 GLU 15 29.470 -14.469 3.448 102 1HG GLU 15 HG2 GLU 15 30.612 -15.298 6.054 103 2HG GLU 15 HG1 GLU 15 30.157 -16.560 4.908 104 H GLU 16 HN GLU 16 27.351 -12.679 3.609 105 HA GLU 16 HA GLU 16 28.999 -11.050 1.896 106 1HB GLU 16 HB2 GLU 16 26.863 -12.703 1.435 107 2HB GLU 16 HB1 GLU 16 26.118 -11.114 1.352 108 1HG GLU 16 HG2 GLU 16 26.944 -12.087 -0.816 109 2HG GLU 16 HG1 GLU 16 27.477 -10.451 -0.439 110 H LEU 17 HN LEU 17 26.470 -10.646 4.279 111 HA LEU 17 HA LEU 17 25.949 -7.916 3.874 112 1HB LEU 17 HB2 LEU 17 24.581 -9.238 5.394 113 2HB LEU 17 HB1 LEU 17 25.962 -9.528 6.434 114 HG LEU 17 HG LEU 17 25.801 -6.764 6.321 115 1HD1 LEU 17 HD11 LEU 17 23.160 -7.097 7.240 116 2HD1 LEU 17 HD12 LEU 17 23.249 -7.840 5.644 117 3HD1 LEU 17 HD13 LEU 17 23.725 -6.157 5.857 118 1HD2 LEU 17 HD21 LEU 17 24.487 -7.453 8.628 119 2HD2 LEU 17 HD22 LEU 17 26.237 -7.379 8.420 120 3HD2 LEU 17 HD23 LEU 17 25.390 -8.914 8.241 121 H ASN 18 HN ASN 18 28.335 -9.574 5.929 122 HA ASN 18 HA ASN 18 29.655 -7.279 6.865 123 1HB ASN 18 HB2 ASN 18 30.022 -9.430 7.914 124 2HB ASN 18 HB1 ASN 18 30.681 -10.091 6.422 125 1HD2 ASN 18 HD21 ASN 18 32.758 -10.453 6.718 126 2HD2 ASN 18 HD22 ASN 18 33.882 -9.356 7.448 127 H ARG 19 HN ARG 19 30.105 -9.247 3.955 128 HA ARG 19 HA ARG 19 32.479 -8.059 3.044 129 1HB ARG 19 HB2 ARG 19 30.253 -9.566 1.765 130 2HB ARG 19 HB1 ARG 19 31.358 -8.690 0.708 131 1HG ARG 19 HG2 ARG 19 33.219 -9.878 2.016 132 2HG ARG 19 HG1 ARG 19 31.936 -10.957 2.571 133 1HD ARG 19 HD2 ARG 19 31.394 -11.536 0.279 134 2HD ARG 19 HD1 ARG 19 32.604 -10.394 -0.316 135 HE ARG 19 HE ARG 19 34.281 -11.875 0.256 136 1HH1 ARG 19 HH11 ARG 19 31.148 -13.115 1.210 137 2HH1 ARG 19 HH12 ARG 19 31.785 -14.618 1.819 138 1HH2 ARG 19 HH21 ARG 19 35.118 -13.863 0.969 139 2HH2 ARG 19 HH22 ARG 19 34.059 -15.053 1.658 140 H TYR 20 HN TYR 20 29.165 -7.344 1.912 141 HA TYR 20 HA TYR 20 29.914 -5.060 0.445 142 1HB TYR 20 HB2 TYR 20 27.796 -5.226 -0.281 143 2HB TYR 20 HB1 TYR 20 27.571 -6.562 0.838 144 HD1 TYR 20 HD1 TYR 20 26.915 -3.006 0.220 145 HD2 TYR 20 HD2 TYR 20 26.370 -6.235 2.934 146 HE1 TYR 20 HE1 TYR 20 25.187 -1.715 1.396 147 HE2 TYR 20 HE2 TYR 20 24.645 -4.953 4.127 148 HH TYR 20 HH TYR 20 22.998 -2.624 3.030 149 H TYR 21 HN TYR 21 29.041 -5.543 3.775 150 HA TYR 21 HA TYR 21 28.420 -2.960 4.585 151 1HB TYR 21 HB2 TYR 21 28.612 -5.377 5.811 152 2HB TYR 21 HB1 TYR 21 30.022 -4.555 6.476 153 HD1 TYR 21 HD1 TYR 21 26.408 -4.760 6.449 154 HD2 TYR 21 HD2 TYR 21 29.742 -2.486 7.777 155 HE1 TYR 21 HE1 TYR 21 24.965 -3.608 8.059 156 HE2 TYR 21 HE2 TYR 21 28.326 -1.323 9.391 157 HH TYR 21 HH TYR 21 24.822 -2.000 9.563 158 H ALA 22 HN ALA 22 31.560 -4.606 4.921 159 HA ALA 22 HA ALA 22 32.788 -2.206 5.864 160 1HB ALA 22 HB1 ALA 22 33.534 -4.241 6.781 161 2HB ALA 22 HB2 ALA 22 34.866 -3.600 5.815 162 3HB ALA 22 HB3 ALA 22 33.877 -4.920 5.189 163 H SER 23 HN SER 23 32.482 -3.742 2.734 164 HA SER 23 HA SER 23 34.471 -2.206 1.413 165 1HB SER 23 HB2 SER 23 31.886 -3.202 0.190 166 2HB SER 23 HB1 SER 23 33.404 -2.855 -0.641 167 HG SER 23 HG SER 23 32.776 -4.996 1.098 168 H LEU 24 HN LEU 24 31.122 -1.623 2.252 169 HA LEU 24 HA LEU 24 30.915 0.910 0.952 170 1HB LEU 24 HB2 LEU 24 28.955 -0.525 1.375 171 2HB LEU 24 HB1 LEU 24 29.229 -0.379 3.100 172 HG LEU 24 HG LEU 24 28.994 2.249 2.003 173 1HD1 LEU 24 HD11 LEU 24 27.758 1.482 0.167 174 2HD1 LEU 24 HD12 LEU 24 26.551 1.994 1.346 175 3HD1 LEU 24 HD13 LEU 24 26.902 0.280 1.135 176 1HD2 LEU 24 HD21 LEU 24 27.626 2.562 3.794 177 2HD2 LEU 24 HD22 LEU 24 28.437 1.084 4.322 178 3HD2 LEU 24 HD23 LEU 24 26.828 0.999 3.603 179 H ARG 25 HN ARG 25 31.978 -0.318 4.006 180 HA ARG 25 HA ARG 25 31.843 2.072 5.501 181 1HB ARG 25 HB2 ARG 25 32.497 -0.522 6.064 182 2HB ARG 25 HB1 ARG 25 34.071 0.257 6.135 183 1HG ARG 25 HG2 ARG 25 33.166 0.260 8.322 184 2HG ARG 25 HG1 ARG 25 33.086 1.917 7.718 185 1HD ARG 25 HD2 ARG 25 30.699 1.367 7.010 186 2HD ARG 25 HD1 ARG 25 30.858 -0.079 8.009 187 HE ARG 25 HE ARG 25 31.243 1.415 9.918 188 1HH1 ARG 25 HH11 ARG 25 29.711 2.762 7.063 189 2HH1 ARG 25 HH12 ARG 25 28.989 4.081 7.922 190 1HH2 ARG 25 HH21 ARG 25 30.323 3.158 11.036 191 2HH2 ARG 25 HH22 ARG 25 29.329 4.311 10.187 192 H HIS 26 HN HIS 26 34.497 0.569 3.652 193 HA HIS 26 HA HIS 26 36.306 2.722 4.075 194 1HB HIS 26 HB2 HIS 26 36.687 0.241 3.215 195 2HB HIS 26 HB1 HIS 26 36.522 1.009 1.639 196 HD1 HIS 26 HD1 HIS 26 38.507 2.335 0.773 197 HD2 HIS 26 HD2 HIS 26 38.921 1.182 4.751 198 HE1 HIS 26 HE1 HIS 26 40.870 2.917 1.414 199 HE2 HIS 26 HE2 HIS 26 41.043 2.362 3.866 200 H TYR 27 HN TYR 27 34.088 1.870 1.449 201 HA TYR 27 HA TYR 27 34.738 3.972 -0.284 202 1HB TYR 27 HB2 TYR 27 33.429 2.445 -1.372 203 2HB TYR 27 HB1 TYR 27 32.460 2.100 0.053 204 HD1 TYR 27 HD1 TYR 27 30.321 3.012 0.279 205 HD2 TYR 27 HD2 TYR 27 32.966 4.642 -2.632 206 HE1 TYR 27 HE1 TYR 27 28.478 4.359 -0.634 207 HE2 TYR 27 HE2 TYR 27 31.130 5.993 -3.548 208 HH TYR 27 HH TYR 27 28.691 5.961 -3.637 209 H LEU 28 HN LEU 28 32.266 3.753 2.282 210 HA LEU 28 HA LEU 28 31.248 6.369 1.993 211 1HB LEU 28 HB2 LEU 28 30.940 4.194 3.815 212 2HB LEU 28 HB1 LEU 28 31.195 5.655 4.746 213 HG LEU 28 HG LEU 28 28.824 5.234 4.439 214 1HD1 LEU 28 HD11 LEU 28 29.509 7.538 4.596 215 2HD1 LEU 28 HD12 LEU 28 28.179 7.399 3.448 216 3HD1 LEU 28 HD13 LEU 28 29.832 7.594 2.865 217 1HD2 LEU 28 HD21 LEU 28 29.110 4.020 2.259 218 2HD2 LEU 28 HD22 LEU 28 29.258 5.599 1.484 219 3HD2 LEU 28 HD23 LEU 28 27.764 5.158 2.313 220 H ASN 29 HN ASN 29 33.867 5.120 4.026 221 HA ASN 29 HA ASN 29 34.424 7.490 5.419 222 1HB ASN 29 HB2 ASN 29 35.259 5.129 5.909 223 2HB ASN 29 HB1 ASN 29 36.490 5.416 4.681 224 1HD2 ASN 29 HD21 ASN 29 35.404 6.152 7.881 225 2HD2 ASN 29 HD22 ASN 29 36.816 7.015 8.382 226 H LEU 30 HN LEU 30 35.377 6.392 2.240 227 HA LEU 30 HA LEU 30 37.409 8.368 1.879 228 1HB LEU 30 HB2 LEU 30 36.205 6.219 0.284 229 2HB LEU 30 HB1 LEU 30 36.734 7.603 -0.651 230 HG LEU 30 HG LEU 30 38.342 5.604 0.851 231 1HD1 LEU 30 HD11 LEU 30 38.765 7.146 -1.701 232 2HD1 LEU 30 HD12 LEU 30 38.140 5.502 -1.574 233 3HD1 LEU 30 HD13 LEU 30 39.800 5.855 -1.091 234 1HD2 LEU 30 HD21 LEU 30 39.623 7.093 1.892 235 2HD2 LEU 30 HD22 LEU 30 38.725 8.432 1.178 236 3HD2 LEU 30 HD23 LEU 30 40.089 7.725 0.315 237 H VAL 31 HN VAL 31 34.013 8.079 0.841 238 HA VAL 31 HA VAL 31 34.136 10.513 -0.676 239 HB VAL 31 HB VAL 31 31.678 10.294 -0.909 240 1HG1 VAL 31 HG11 VAL 31 32.924 7.630 -1.478 241 2HG1 VAL 31 HG12 VAL 31 33.455 9.088 -2.318 242 3HG1 VAL 31 HG13 VAL 31 31.777 8.555 -2.451 243 1HG2 VAL 31 HG21 VAL 31 30.521 8.345 -0.058 244 2HG2 VAL 31 HG22 VAL 31 31.230 9.249 1.279 245 3HG2 VAL 31 HG23 VAL 31 32.000 7.769 0.710 246 H THR 32 HN THR 32 33.225 9.685 2.600 247 HA THR 32 HA THR 32 32.106 12.310 3.087 248 HB THR 32 HB THR 32 32.827 10.419 5.300 249 HG1 THR 32 HG1 THR 32 31.756 9.091 3.815 250 1HG2 THR 32 HG21 THR 32 30.316 12.032 4.966 251 2HG2 THR 32 HG22 THR 32 31.793 12.756 5.597 252 3HG2 THR 32 HG23 THR 32 31.039 11.410 6.448 253 H ARG 33 HN ARG 33 34.789 12.217 2.111 254 HA ARG 33 HA ARG 33 36.494 13.003 4.315 255 1HB ARG 33 HB2 ARG 33 36.860 12.180 1.612 256 2HB ARG 33 HB1 ARG 33 37.563 13.783 1.779 257 1HG ARG 33 HG2 ARG 33 38.198 11.414 3.529 258 2HG ARG 33 HG1 ARG 33 39.185 11.990 2.186 259 1HD ARG 33 HD2 ARG 33 39.563 14.090 3.301 260 2HD ARG 33 HD1 ARG 33 38.453 13.640 4.595 261 HE ARG 33 HE ARG 33 40.244 11.679 4.756 262 1HH1 ARG 33 HH11 ARG 33 40.674 15.135 4.444 263 2HH1 ARG 33 HH12 ARG 33 42.176 15.155 5.313 264 1HH2 ARG 33 HH21 ARG 33 42.227 11.687 5.907 265 2HH2 ARG 33 HH22 ARG 33 43.070 13.195 6.152 266 H GLN 34 HN GLN 34 34.056 14.401 2.578 267 HA GLN 34 HA GLN 34 33.251 16.505 2.312 268 1HB GLN 34 HB2 GLN 34 34.792 16.562 4.823 269 2HB GLN 34 HB1 GLN 34 34.502 18.140 4.106 270 1HG GLN 34 HG2 GLN 34 32.600 16.208 5.292 271 2HG GLN 34 HG1 GLN 34 32.657 17.967 5.417 272 1HE2 GLN 34 HE21 GLN 34 31.746 19.220 3.750 273 2HE2 GLN 34 HE22 GLN 34 30.589 18.547 2.649 274 H ARG 35 HN ARG 35 34.774 16.109 0.335 275 HA ARG 35 HA ARG 35 36.694 18.324 0.195 276 1HB ARG 35 HB2 ARG 35 37.726 17.153 -1.688 277 2HB ARG 35 HB1 ARG 35 37.691 16.134 -0.257 278 1HG ARG 35 HG2 ARG 35 36.554 14.562 -1.320 279 2HG ARG 35 HG1 ARG 35 35.341 15.724 -1.864 280 1HD ARG 35 HD2 ARG 35 37.912 15.926 -3.247 281 2HD ARG 35 HD1 ARG 35 37.080 14.390 -3.488 282 HE ARG 35 HE ARG 35 35.153 15.700 -4.277 283 1HH1 ARG 35 HH11 ARG 35 38.272 17.309 -4.148 284 2HH1 ARG 35 HH12 ARG 35 37.896 18.403 -5.452 285 1HH2 ARG 35 HH21 ARG 35 34.655 17.156 -5.976 286 2HH2 ARG 35 HH22 ARG 35 35.843 18.327 -6.467 287 H TYR 36 HN TYR 36 36.576 19.792 -1.469 288 HA TYR 36 HA TYR 36 34.047 19.750 -2.987 289 1HB TYR 36 HB2 TYR 36 35.345 22.310 -2.104 290 2HB TYR 36 HB1 TYR 36 33.673 22.024 -2.576 291 HD1 TYR 36 HD1 TYR 36 35.929 22.362 0.149 292 HD2 TYR 36 HD2 TYR 36 32.254 20.542 -0.988 293 HE1 TYR 36 HE1 TYR 36 35.313 22.141 2.518 294 HE2 TYR 36 HE2 TYR 36 31.626 20.318 1.380 295 HH TYR 36 HH TYR 36 32.221 21.503 3.578 296 1HN NH2 37 H1 NH2 37 37.532 21.123 -4.647 297 2HN NH2 37 H2 NH2 37 37.371 21.017 -2.932 Start of MODEL 4 1 1H TYR 1 HT1 TYR 1 38.559 1.954 -5.970 2 2H TYR 1 HT2 TYR 1 39.001 0.334 -5.757 3 3H TYR 1 HT3 TYR 1 37.903 1.057 -4.692 4 HA TYR 1 HA TYR 1 37.293 0.969 -7.551 5 1HB TYR 1 HB2 TYR 1 35.961 -1.218 -6.753 6 2HB TYR 1 HB1 TYR 1 37.565 -1.294 -7.470 7 HD1 TYR 1 HD1 TYR 1 35.971 -0.926 -4.100 8 HD2 TYR 1 HD2 TYR 1 39.166 -2.568 -6.387 9 HE1 TYR 1 HE1 TYR 1 36.789 -2.100 -2.101 10 HE2 TYR 1 HE2 TYR 1 39.992 -3.744 -4.393 11 HH TYR 1 HH TYR 1 38.223 -4.219 -1.656 12 HA PRO 2 HA PRO 2 33.814 2.937 -5.411 13 1HB PRO 2 HB2 PRO 2 33.303 4.181 -7.984 14 2HB PRO 2 HB1 PRO 2 33.745 4.945 -6.458 15 1HG PRO 2 HG2 PRO 2 35.407 4.858 -8.611 16 2HG PRO 2 HG1 PRO 2 35.984 4.905 -6.935 17 1HD PRO 2 HD2 PRO 2 35.725 2.562 -8.784 18 2HD PRO 2 HD1 PRO 2 37.039 2.963 -7.657 19 H ILE 3 HN ILE 3 33.196 0.574 -5.624 20 HA ILE 3 HA ILE 3 31.998 -0.458 -7.935 21 HB ILE 3 HB ILE 3 32.730 -2.045 -6.384 22 1HG1 ILE 3 HG12 ILE 3 29.941 -2.406 -5.548 23 2HG1 ILE 3 HG11 ILE 3 30.130 -2.112 -7.273 24 1HG2 ILE 3 HG21 ILE 3 30.959 -0.923 -4.232 25 2HG2 ILE 3 HG22 ILE 3 32.648 -0.458 -4.435 26 3HG2 ILE 3 HG23 ILE 3 32.233 -2.134 -4.076 27 1HD1 ILE 3 HD11 ILE 3 30.547 -4.277 -7.483 28 2HD1 ILE 3 HD12 ILE 3 30.677 -4.487 -5.736 29 3HD1 ILE 3 HD13 ILE 3 32.086 -3.987 -6.672 30 H LYS 4 HN LYS 4 30.582 1.151 -5.131 31 HA LYS 4 HA LYS 4 28.520 2.007 -4.695 32 1HB LYS 4 HB2 LYS 4 28.838 2.293 -7.607 33 2HB LYS 4 HB1 LYS 4 27.170 2.306 -7.053 34 1HG LYS 4 HG2 LYS 4 27.717 4.128 -5.498 35 2HG LYS 4 HG1 LYS 4 29.372 4.129 -6.112 36 1HD LYS 4 HD2 LYS 4 28.542 5.744 -7.471 37 2HD LYS 4 HD1 LYS 4 28.044 4.350 -8.433 38 1HE LYS 4 HE2 LYS 4 25.985 5.221 -8.308 39 2HE LYS 4 HE1 LYS 4 25.979 4.614 -6.651 40 1HZ LYS 4 HZ1 LYS 4 26.585 7.356 -7.588 41 2HZ LYS 4 HZ2 LYS 4 26.991 6.822 -6.032 42 3HZ LYS 4 HZ3 LYS 4 25.367 6.857 -6.516 43 HA PRO 5 HA PRO 5 26.650 -2.219 -5.192 44 1HB PRO 5 HB2 PRO 5 26.375 -2.129 -2.284 45 2HB PRO 5 HB1 PRO 5 27.221 -3.315 -3.283 46 1HG PRO 5 HG2 PRO 5 28.523 -1.576 -1.672 47 2HG PRO 5 HG1 PRO 5 29.209 -2.164 -3.197 48 1HD PRO 5 HD2 PRO 5 27.861 0.450 -2.610 49 2HD PRO 5 HD1 PRO 5 29.317 0.125 -3.578 50 H GLU 6 HN GLU 6 24.538 -2.330 -5.616 51 HA GLU 6 HA GLU 6 22.771 -0.237 -4.741 52 1HB GLU 6 HB2 GLU 6 21.781 -2.638 -6.204 53 2HB GLU 6 HB1 GLU 6 21.327 -0.951 -6.394 54 1HG GLU 6 HG2 GLU 6 23.797 -0.723 -7.254 55 2HG GLU 6 HG1 GLU 6 23.614 -2.449 -7.559 56 H ALA 7 HN ALA 7 23.507 -1.375 -2.499 57 HA ALA 7 HA ALA 7 22.894 -2.420 -0.586 58 1HB ALA 7 HB1 ALA 7 20.088 -1.927 -1.545 59 2HB ALA 7 HB2 ALA 7 21.137 -0.675 -0.880 60 3HB ALA 7 HB3 ALA 7 20.657 -2.045 0.119 61 HA PRO 8 HA PRO 8 21.724 -6.519 -2.429 62 1HB PRO 8 HB2 PRO 8 24.399 -7.485 -2.119 63 2HB PRO 8 HB1 PRO 8 23.528 -7.188 -3.622 64 1HG PRO 8 HG2 PRO 8 25.732 -5.757 -2.758 65 2HG PRO 8 HG1 PRO 8 24.550 -5.186 -3.950 66 1HD PRO 8 HD2 PRO 8 24.766 -4.553 -1.036 67 2HD PRO 8 HD1 PRO 8 24.316 -3.494 -2.391 68 H GLY 9 HN GLY 9 20.712 -6.344 -0.247 69 1HA GLY 9 HA2 GLY 9 22.169 -8.051 1.668 70 2HA GLY 9 HA1 GLY 9 21.354 -6.590 2.210 71 H GLU 10 HN GLU 10 20.041 -8.636 -0.295 72 HA GLU 10 HA GLU 10 17.839 -9.340 1.512 73 1HB GLU 10 HB2 GLU 10 18.092 -8.877 -1.391 74 2HB GLU 10 HB1 GLU 10 17.026 -10.201 -0.935 75 1HG GLU 10 HG2 GLU 10 16.093 -8.384 0.748 76 2HG GLU 10 HG1 GLU 10 16.739 -7.287 -0.471 77 H ASP 11 HN ASP 11 20.332 -10.703 -0.519 78 HA ASP 11 HA ASP 11 19.579 -13.407 0.344 79 1HB ASP 11 HB2 ASP 11 21.435 -14.026 -1.388 80 2HB ASP 11 HB1 ASP 11 19.845 -13.545 -1.958 81 H ALA 12 HN ALA 12 22.418 -11.325 -0.035 82 HA ALA 12 HA ALA 12 24.183 -12.810 1.565 83 1HB ALA 12 HB1 ALA 12 25.154 -11.152 0.224 84 2HB ALA 12 HB2 ALA 12 25.310 -10.524 1.865 85 3HB ALA 12 HB3 ALA 12 24.041 -9.910 0.801 86 H SER 13 HN SER 13 24.150 -13.197 3.689 87 HA SER 13 HA SER 13 22.687 -11.294 5.386 88 1HB SER 13 HB2 SER 13 22.650 -14.046 6.384 89 2HB SER 13 HB1 SER 13 21.331 -12.885 6.215 90 HG SER 13 HG SER 13 21.851 -13.494 3.786 91 HA PRO 14 HA PRO 14 26.159 -12.871 8.143 92 1HB PRO 14 HB2 PRO 14 27.638 -15.082 7.148 93 2HB PRO 14 HB1 PRO 14 26.432 -15.093 8.433 94 1HG PRO 14 HG2 PRO 14 26.163 -16.324 5.953 95 2HG PRO 14 HG1 PRO 14 24.836 -15.948 7.064 96 1HD PRO 14 HD2 PRO 14 25.768 -14.464 4.645 97 2HD PRO 14 HD1 PRO 14 24.115 -14.716 5.253 98 H GLU 15 HN GLU 15 28.434 -14.428 6.134 99 HA GLU 15 HA GLU 15 30.283 -12.310 6.584 100 1HB GLU 15 HB2 GLU 15 30.407 -14.923 5.111 101 2HB GLU 15 HB1 GLU 15 31.731 -13.770 5.008 102 1HG GLU 15 HG2 GLU 15 32.366 -14.087 7.171 103 2HG GLU 15 HG1 GLU 15 30.738 -14.505 7.705 104 H GLU 16 HN GLU 16 28.344 -13.326 3.909 105 HA GLU 16 HA GLU 16 29.572 -11.803 1.883 106 1HB GLU 16 HB2 GLU 16 26.632 -12.435 1.967 107 2HB GLU 16 HB1 GLU 16 27.680 -12.303 0.564 108 1HG GLU 16 HG2 GLU 16 27.450 -14.559 0.672 109 2HG GLU 16 HG1 GLU 16 28.879 -14.357 1.689 110 H LEU 17 HN LEU 17 26.958 -11.155 4.198 111 HA LEU 17 HA LEU 17 26.400 -8.558 3.174 112 1HB LEU 17 HB2 LEU 17 24.837 -9.851 4.631 113 2HB LEU 17 HB1 LEU 17 25.924 -9.560 5.977 114 HG LEU 17 HG LEU 17 25.493 -7.016 5.076 115 1HD1 LEU 17 HD11 LEU 17 23.162 -6.724 4.633 116 2HD1 LEU 17 HD12 LEU 17 22.852 -8.445 4.861 117 3HD1 LEU 17 HD13 LEU 17 23.799 -7.896 3.479 118 1HD2 LEU 17 HD21 LEU 17 24.551 -8.713 7.271 119 2HD2 LEU 17 HD22 LEU 17 23.545 -7.297 6.955 120 3HD2 LEU 17 HD23 LEU 17 25.264 -7.100 7.306 121 H ASN 18 HN ASN 18 28.390 -9.794 5.834 122 HA ASN 18 HA ASN 18 29.317 -7.305 6.749 123 1HB ASN 18 HB2 ASN 18 29.569 -9.525 7.936 124 2HB ASN 18 HB1 ASN 18 30.902 -9.880 6.837 125 1HD2 ASN 18 HD21 ASN 18 32.883 -9.083 7.305 126 2HD2 ASN 18 HD22 ASN 18 33.224 -7.978 8.594 127 H ARG 19 HN ARG 19 30.489 -9.445 4.187 128 HA ARG 19 HA ARG 19 32.917 -8.122 3.661 129 1HB ARG 19 HB2 ARG 19 31.125 -9.955 2.179 130 2HB ARG 19 HB1 ARG 19 32.218 -8.990 1.196 131 1HG ARG 19 HG2 ARG 19 34.060 -9.819 2.762 132 2HG ARG 19 HG1 ARG 19 32.881 -11.017 3.295 133 1HD ARG 19 HD2 ARG 19 33.424 -10.637 0.382 134 2HD ARG 19 HD1 ARG 19 34.530 -11.593 1.366 135 HE ARG 19 HE ARG 19 31.900 -12.340 0.482 136 1HH1 ARG 19 HH11 ARG 19 34.321 -12.864 2.967 137 2HH1 ARG 19 HH12 ARG 19 33.748 -14.460 3.364 138 1HH2 ARG 19 HH21 ARG 19 31.162 -14.418 0.983 139 2HH2 ARG 19 HH22 ARG 19 31.944 -15.348 2.236 140 H TYR 20 HN TYR 20 29.783 -7.752 1.991 141 HA TYR 20 HA TYR 20 30.593 -5.478 0.515 142 1HB TYR 20 HB2 TYR 20 28.678 -5.918 -0.546 143 2HB TYR 20 HB1 TYR 20 28.319 -7.152 0.651 144 HD1 TYR 20 HD1 TYR 20 26.707 -6.740 2.414 145 HD2 TYR 20 HD2 TYR 20 27.657 -3.698 -0.408 146 HE1 TYR 20 HE1 TYR 20 24.730 -5.465 3.127 147 HE2 TYR 20 HE2 TYR 20 25.684 -2.413 0.303 148 HH TYR 20 HH TYR 20 23.550 -3.613 2.877 149 H TYR 21 HN TYR 21 29.266 -5.940 3.669 150 HA TYR 21 HA TYR 21 28.292 -3.416 4.311 151 1HB TYR 21 HB2 TYR 21 28.502 -5.797 5.564 152 2HB TYR 21 HB1 TYR 21 29.758 -4.901 6.405 153 HD1 TYR 21 HD1 TYR 21 29.204 -3.642 8.221 154 HD2 TYR 21 HD2 TYR 21 26.181 -4.617 5.401 155 HE1 TYR 21 HE1 TYR 21 27.531 -2.654 9.700 156 HE2 TYR 21 HE2 TYR 21 24.480 -3.635 6.866 157 HH TYR 21 HH TYR 21 24.360 -3.223 9.544 158 H ALA 22 HN ALA 22 31.466 -4.790 5.111 159 HA ALA 22 HA ALA 22 32.384 -2.302 6.167 160 1HB ALA 22 HB1 ALA 22 34.533 -3.509 6.445 161 2HB ALA 22 HB2 ALA 22 33.815 -4.892 5.619 162 3HB ALA 22 HB3 ALA 22 33.143 -4.333 7.155 163 H SER 23 HN SER 23 32.658 -3.938 3.071 164 HA SER 23 HA SER 23 34.608 -2.167 1.997 165 1HB SER 23 HB2 SER 23 32.457 -3.727 0.545 166 2HB SER 23 HB1 SER 23 33.905 -3.026 -0.180 167 HG SER 23 HG SER 23 33.621 -5.286 1.436 168 H LEU 24 HN LEU 24 31.146 -2.038 2.379 169 HA LEU 24 HA LEU 24 30.665 0.281 0.832 170 1HB LEU 24 HB2 LEU 24 29.148 -1.576 2.336 171 2HB LEU 24 HB1 LEU 24 28.837 -0.002 3.035 172 HG LEU 24 HG LEU 24 28.064 -1.083 0.391 173 1HD1 LEU 24 HD11 LEU 24 25.995 -0.094 0.878 174 2HD1 LEU 24 HD12 LEU 24 26.701 0.968 2.096 175 3HD1 LEU 24 HD13 LEU 24 26.570 -0.764 2.409 176 1HD2 LEU 24 HD21 LEU 24 29.068 1.678 0.815 177 2HD2 LEU 24 HD22 LEU 24 27.649 1.445 -0.206 178 3HD2 LEU 24 HD23 LEU 24 29.168 0.644 -0.612 179 H ARG 25 HN ARG 25 31.081 -0.358 4.306 180 HA ARG 25 HA ARG 25 30.947 2.298 5.169 181 1HB ARG 25 HB2 ARG 25 31.840 -0.256 6.277 182 2HB ARG 25 HB1 ARG 25 32.721 1.124 6.918 183 1HG ARG 25 HG2 ARG 25 30.978 1.829 8.120 184 2HG ARG 25 HG1 ARG 25 29.834 1.532 6.809 185 1HD ARG 25 HD2 ARG 25 29.947 -0.890 7.346 186 2HD ARG 25 HD1 ARG 25 30.952 -0.494 8.740 187 HE ARG 25 HE ARG 25 28.093 -0.112 8.468 188 1HH1 ARG 25 HH11 ARG 25 30.979 0.765 10.289 189 2HH1 ARG 25 HH12 ARG 25 30.074 1.293 11.682 190 1HH2 ARG 25 HH21 ARG 25 26.942 0.524 10.324 191 2HH2 ARG 25 HH22 ARG 25 27.798 1.114 11.717 192 H HIS 26 HN HIS 26 33.546 0.477 3.726 193 HA HIS 26 HA HIS 26 35.652 2.304 4.295 194 1HB HIS 26 HB2 HIS 26 35.353 -0.209 2.990 195 2HB HIS 26 HB1 HIS 26 36.109 0.891 1.844 196 HD1 HIS 26 HD1 HIS 26 37.574 -1.551 3.090 197 HD2 HIS 26 HD2 HIS 26 37.829 2.362 4.479 198 HE1 HIS 26 HE1 HIS 26 39.760 -1.410 4.329 199 HE2 HIS 26 HE2 HIS 26 39.981 1.017 4.982 200 H TYR 27 HN TYR 27 33.946 1.566 1.265 201 HA TYR 27 HA TYR 27 34.958 3.712 -0.200 202 1HB TYR 27 HB2 TYR 27 34.003 1.988 -1.470 203 2HB TYR 27 HB1 TYR 27 32.538 1.955 -0.498 204 HD1 TYR 27 HD1 TYR 27 30.615 2.917 -1.361 205 HD2 TYR 27 HD2 TYR 27 34.393 4.234 -2.816 206 HE1 TYR 27 HE1 TYR 27 29.479 4.339 -3.012 207 HE2 TYR 27 HE2 TYR 27 33.262 5.658 -4.469 208 HH TYR 27 HH TYR 27 31.321 6.392 -5.256 209 H LEU 28 HN LEU 28 31.939 3.380 1.629 210 HA LEU 28 HA LEU 28 30.874 5.899 0.964 211 1HB LEU 28 HB2 LEU 28 30.425 4.049 3.279 212 2HB LEU 28 HB1 LEU 28 29.645 5.620 3.222 213 HG LEU 28 HG LEU 28 29.372 3.633 0.979 214 1HD1 LEU 28 HD11 LEU 28 27.974 2.364 2.136 215 2HD1 LEU 28 HD12 LEU 28 27.042 3.777 2.641 216 3HD1 LEU 28 HD13 LEU 28 28.431 3.255 3.593 217 1HD2 LEU 28 HD21 LEU 28 28.593 5.611 0.155 218 2HD2 LEU 28 HD22 LEU 28 28.126 6.221 1.742 219 3HD2 LEU 28 HD23 LEU 28 27.124 5.018 0.930 220 H ASN 29 HN ASN 29 32.802 4.936 3.829 221 HA ASN 29 HA ASN 29 32.769 7.431 5.090 222 1HB ASN 29 HB2 ASN 29 33.739 5.077 5.837 223 2HB ASN 29 HB1 ASN 29 35.247 5.765 5.248 224 1HD2 ASN 29 HD21 ASN 29 34.721 5.026 7.912 225 2HD2 ASN 29 HD22 ASN 29 34.792 6.454 8.891 226 H LEU 30 HN LEU 30 34.747 6.229 2.465 227 HA LEU 30 HA LEU 30 36.631 8.347 2.485 228 1HB LEU 30 HB2 LEU 30 35.847 6.207 0.590 229 2HB LEU 30 HB1 LEU 30 36.734 7.572 -0.064 230 HG LEU 30 HG LEU 30 37.651 5.691 2.110 231 1HD1 LEU 30 HD11 LEU 30 38.531 6.187 -0.723 232 2HD1 LEU 30 HD12 LEU 30 37.915 4.691 -0.020 233 3HD1 LEU 30 HD13 LEU 30 39.501 5.301 0.451 234 1HD2 LEU 30 HD21 LEU 30 39.014 8.157 1.022 235 2HD2 LEU 30 HD22 LEU 30 39.738 6.985 2.124 236 3HD2 LEU 30 HD23 LEU 30 38.366 7.959 2.649 237 H VAL 31 HN VAL 31 33.506 7.952 0.842 238 HA VAL 31 HA VAL 31 33.968 10.497 -0.548 239 HB VAL 31 HB VAL 31 31.891 9.895 -1.849 240 1HG1 VAL 31 HG11 VAL 31 33.061 8.381 -3.322 241 2HG1 VAL 31 HG12 VAL 31 34.187 7.951 -2.032 242 3HG1 VAL 31 HG13 VAL 31 34.181 9.586 -2.691 243 1HG2 VAL 31 HG21 VAL 31 30.635 8.217 -1.108 244 2HG2 VAL 31 HG22 VAL 31 31.874 7.713 0.042 245 3HG2 VAL 31 HG23 VAL 31 31.915 7.119 -1.617 246 H THR 32 HN THR 32 31.511 8.964 1.547 247 HA THR 32 HA THR 32 29.949 11.415 1.497 248 HB THR 32 HB THR 32 28.466 10.100 3.151 249 HG1 THR 32 HG1 THR 32 30.469 8.396 2.998 250 1HG2 THR 32 HG21 THR 32 28.518 8.592 0.622 251 2HG2 THR 32 HG22 THR 32 28.448 10.347 0.462 252 3HG2 THR 32 HG23 THR 32 27.204 9.499 1.379 253 H ARG 33 HN ARG 33 32.666 11.234 2.820 254 HA ARG 33 HA ARG 33 32.121 11.652 5.599 255 1HB ARG 33 HB2 ARG 33 34.389 12.123 5.888 256 2HB ARG 33 HB1 ARG 33 34.354 10.921 4.604 257 1HG ARG 33 HG2 ARG 33 35.774 12.332 3.591 258 2HG ARG 33 HG1 ARG 33 34.301 13.199 3.150 259 1HD ARG 33 HD2 ARG 33 34.976 14.067 5.736 260 2HD ARG 33 HD1 ARG 33 36.485 14.049 4.818 261 HE ARG 33 HE ARG 33 34.717 15.284 3.155 262 1HH1 ARG 33 HH11 ARG 33 35.816 15.855 6.429 263 2HH1 ARG 33 HH12 ARG 33 35.446 17.555 6.394 264 1HH2 ARG 33 HH21 ARG 33 34.259 17.500 3.087 265 2HH2 ARG 33 HH22 ARG 33 34.592 18.502 4.469 266 H GLN 34 HN GLN 34 31.673 13.499 2.824 267 HA GLN 34 HA GLN 34 31.929 16.123 3.682 268 1HB GLN 34 HB2 GLN 34 29.754 14.845 2.011 269 2HB GLN 34 HB1 GLN 34 29.898 16.580 2.245 270 1HG GLN 34 HG2 GLN 34 31.805 14.741 0.838 271 2HG GLN 34 HG1 GLN 34 30.889 16.085 0.160 272 1HE2 GLN 34 HE21 GLN 34 31.544 18.213 0.640 273 2HE2 GLN 34 HE22 GLN 34 33.162 18.558 1.164 274 H ARG 35 HN ARG 35 29.477 13.718 4.365 275 HA ARG 35 HA ARG 35 28.243 13.347 6.202 276 1HB ARG 35 HB2 ARG 35 30.590 14.036 7.148 277 2HB ARG 35 HB1 ARG 35 29.727 15.475 7.690 278 1HG ARG 35 HG2 ARG 35 28.042 13.633 8.623 279 2HG ARG 35 HG1 ARG 35 29.525 12.676 8.629 280 1HD ARG 35 HD2 ARG 35 28.865 15.162 10.157 281 2HD ARG 35 HD1 ARG 35 29.536 13.639 10.739 282 HE ARG 35 HE ARG 35 30.982 15.854 9.526 283 1HH1 ARG 35 HH11 ARG 35 31.053 12.529 10.654 284 2HH1 ARG 35 HH12 ARG 35 32.787 12.463 10.731 285 1HH2 ARG 35 HH21 ARG 35 33.273 15.766 9.635 286 2HH2 ARG 35 HH22 ARG 35 34.046 14.291 10.162 287 H TYR 36 HN TYR 36 28.553 16.471 7.602 288 HA TYR 36 HA TYR 36 25.792 17.040 6.750 289 1HB TYR 36 HB2 TYR 36 27.138 17.267 9.412 290 2HB TYR 36 HB1 TYR 36 25.852 18.401 9.018 291 HD1 TYR 36 HD1 TYR 36 24.553 17.497 10.925 292 HD2 TYR 36 HD2 TYR 36 25.651 15.053 7.617 293 HE1 TYR 36 HE1 TYR 36 22.877 15.829 11.600 294 HE2 TYR 36 HE2 TYR 36 23.976 13.387 8.282 295 HH TYR 36 HH TYR 36 21.512 13.862 10.069 296 1HN NH2 37 H1 NH2 37 26.547 20.294 5.751 297 2HN NH2 37 H2 NH2 37 25.379 19.027 5.883 Start of MODEL 5 1 1H TYR 1 HT1 TYR 1 23.235 11.580 3.831 2 2H TYR 1 HT2 TYR 1 24.060 10.327 4.619 3 3H TYR 1 HT3 TYR 1 22.365 10.368 4.640 4 HA TYR 1 HA TYR 1 23.070 8.720 3.108 5 1HB TYR 1 HB2 TYR 1 21.827 9.407 1.192 6 2HB TYR 1 HB1 TYR 1 21.100 10.219 2.571 7 HD1 TYR 1 HD1 TYR 1 22.494 10.631 -0.675 8 HD2 TYR 1 HD2 TYR 1 21.816 12.666 2.998 9 HE1 TYR 1 HE1 TYR 1 22.753 12.786 -1.830 10 HE2 TYR 1 HE2 TYR 1 22.074 14.829 1.856 11 HH TYR 1 HH TYR 1 22.084 15.125 -1.543 12 HA PRO 2 HA PRO 2 26.888 9.578 0.957 13 1HB PRO 2 HB2 PRO 2 27.335 7.113 0.034 14 2HB PRO 2 HB1 PRO 2 27.459 7.472 1.758 15 1HG PRO 2 HG2 PRO 2 25.303 6.069 0.265 16 2HG PRO 2 HG1 PRO 2 25.898 5.792 1.910 17 1HD PRO 2 HD2 PRO 2 23.601 7.252 1.183 18 2HD PRO 2 HD1 PRO 2 24.365 7.216 2.781 19 H ILE 3 HN ILE 3 27.656 8.519 -1.398 20 HA ILE 3 HA ILE 3 25.742 9.587 -3.274 21 HB ILE 3 HB ILE 3 27.847 10.229 -3.925 22 1HG1 ILE 3 HG12 ILE 3 28.568 8.576 -5.843 23 2HG1 ILE 3 HG11 ILE 3 27.043 7.787 -5.455 24 1HG2 ILE 3 HG21 ILE 3 29.846 9.144 -3.605 25 2HG2 ILE 3 HG22 ILE 3 29.118 7.540 -3.688 26 3HG2 ILE 3 HG23 ILE 3 28.887 8.541 -2.256 27 1HD1 ILE 3 HD11 ILE 3 27.545 10.187 -6.970 28 2HD1 ILE 3 HD12 ILE 3 26.402 10.481 -5.658 29 3HD1 ILE 3 HD13 ILE 3 26.078 9.215 -6.843 30 H LYS 4 HN LYS 4 27.558 6.506 -3.366 31 HA LYS 4 HA LYS 4 25.254 4.895 -3.320 32 1HB LYS 4 HB2 LYS 4 24.857 5.804 -5.554 33 2HB LYS 4 HB1 LYS 4 26.471 5.320 -6.057 34 1HG LYS 4 HG2 LYS 4 25.036 3.060 -5.014 35 2HG LYS 4 HG1 LYS 4 24.105 3.855 -6.285 36 1HD LYS 4 HD2 LYS 4 26.140 3.778 -7.726 37 2HD LYS 4 HD1 LYS 4 26.936 2.826 -6.471 38 1HE LYS 4 HE2 LYS 4 24.399 2.058 -7.909 39 2HE LYS 4 HE1 LYS 4 26.006 1.431 -8.271 40 1HZ LYS 4 HZ1 LYS 4 24.208 0.781 -6.086 41 2HZ LYS 4 HZ2 LYS 4 25.849 0.909 -5.666 42 3HZ LYS 4 HZ3 LYS 4 25.365 -0.186 -6.869 43 HA PRO 5 HA PRO 5 28.798 2.229 -2.664 44 1HB PRO 5 HB2 PRO 5 27.508 0.932 -0.554 45 2HB PRO 5 HB1 PRO 5 28.622 2.292 -0.402 46 1HG PRO 5 HG2 PRO 5 25.845 2.276 0.179 47 2HG PRO 5 HG1 PRO 5 26.930 3.675 0.169 48 1HD PRO 5 HD2 PRO 5 25.023 2.743 -1.909 49 2HD PRO 5 HD1 PRO 5 25.597 4.387 -1.551 50 H GLU 6 HN GLU 6 27.876 -0.301 -1.472 51 HA GLU 6 HA GLU 6 26.769 -1.522 -3.890 52 1HB GLU 6 HB2 GLU 6 28.325 -2.649 -1.562 53 2HB GLU 6 HB1 GLU 6 27.542 -3.668 -2.763 54 1HG GLU 6 HG2 GLU 6 28.948 -2.920 -4.478 55 2HG GLU 6 HG1 GLU 6 29.497 -1.535 -3.536 56 H ALA 7 HN ALA 7 25.896 -3.898 -2.680 57 HA ALA 7 HA ALA 7 23.953 -3.398 -0.653 58 1HB ALA 7 HB1 ALA 7 22.805 -3.947 -3.383 59 2HB ALA 7 HB2 ALA 7 22.982 -2.306 -2.762 60 3HB ALA 7 HB3 ALA 7 21.956 -3.462 -1.912 61 HA PRO 8 HA PRO 8 24.101 -7.885 -0.470 62 1HB PRO 8 HB2 PRO 8 21.421 -8.522 -0.210 63 2HB PRO 8 HB1 PRO 8 22.474 -8.049 1.126 64 1HG PRO 8 HG2 PRO 8 20.527 -6.397 -0.430 65 2HG PRO 8 HG1 PRO 8 20.866 -6.388 1.312 66 1HD PRO 8 HD2 PRO 8 21.844 -4.492 -0.314 67 2HD PRO 8 HD1 PRO 8 22.791 -5.114 1.056 68 H GLY 9 HN GLY 9 23.666 -9.751 -1.808 69 1HA GLY 9 HA2 GLY 9 22.839 -8.866 -4.500 70 2HA GLY 9 HA1 GLY 9 24.121 -10.029 -4.184 71 H GLU 10 HN GLU 10 22.987 -11.712 -2.365 72 HA GLU 10 HA GLU 10 20.657 -12.719 -3.821 73 1HB GLU 10 HB2 GLU 10 23.082 -14.342 -3.047 74 2HB GLU 10 HB1 GLU 10 21.588 -15.015 -3.685 75 1HG GLU 10 HG2 GLU 10 22.323 -13.044 -5.506 76 2HG GLU 10 HG1 GLU 10 23.826 -13.861 -5.075 77 H ASP 11 HN ASP 11 22.624 -13.940 -1.115 78 HA ASP 11 HA ASP 11 20.121 -14.628 0.237 79 1HB ASP 11 HB2 ASP 11 21.841 -16.373 -0.124 80 2HB ASP 11 HB1 ASP 11 22.966 -15.448 0.860 81 H ALA 12 HN ALA 12 22.800 -12.485 0.467 82 HA ALA 12 HA ALA 12 23.501 -10.941 1.969 83 1HB ALA 12 HB1 ALA 12 21.381 -9.896 1.932 84 2HB ALA 12 HB2 ALA 12 21.817 -10.057 3.635 85 3HB ALA 12 HB3 ALA 12 20.652 -11.170 2.910 86 H SER 13 HN SER 13 24.064 -13.615 2.369 87 HA SER 13 HA SER 13 23.716 -14.583 4.957 88 1HB SER 13 HB2 SER 13 26.240 -15.014 3.376 89 2HB SER 13 HB1 SER 13 25.371 -16.157 4.402 90 HG SER 13 HG SER 13 23.602 -15.812 2.746 91 HA PRO 14 HA PRO 14 26.121 -12.340 7.845 92 1HB PRO 14 HB2 PRO 14 27.975 -14.677 8.089 93 2HB PRO 14 HB1 PRO 14 27.176 -13.742 9.357 94 1HG PRO 14 HG2 PRO 14 26.250 -16.134 8.663 95 2HG PRO 14 HG1 PRO 14 25.132 -14.806 9.037 96 1HD PRO 14 HD2 PRO 14 25.870 -15.981 6.404 97 2HD PRO 14 HD1 PRO 14 24.333 -15.274 6.937 98 H GLU 15 HN GLU 15 28.126 -14.020 5.409 99 HA GLU 15 HA GLU 15 30.207 -11.995 5.749 100 1HB GLU 15 HB2 GLU 15 30.819 -14.383 5.419 101 2HB GLU 15 HB1 GLU 15 30.110 -14.316 3.813 102 1HG GLU 15 HG2 GLU 15 32.542 -14.112 3.755 103 2HG GLU 15 HG1 GLU 15 31.742 -12.675 3.121 104 H GLU 16 HN GLU 16 27.518 -12.669 3.721 105 HA GLU 16 HA GLU 16 28.388 -11.164 1.449 106 1HB GLU 16 HB2 GLU 16 26.503 -13.015 1.721 107 2HB GLU 16 HB1 GLU 16 25.494 -11.609 2.020 108 1HG GLU 16 HG2 GLU 16 26.472 -10.703 -0.182 109 2HG GLU 16 HG1 GLU 16 26.974 -12.370 -0.467 110 H LEU 17 HN LEU 17 26.065 -10.570 4.099 111 HA LEU 17 HA LEU 17 25.712 -7.859 3.272 112 1HB LEU 17 HB2 LEU 17 24.068 -7.662 4.828 113 2HB LEU 17 HB1 LEU 17 24.077 -9.396 4.621 114 HG LEU 17 HG LEU 17 23.762 -9.008 6.902 115 1HD1 LEU 17 HD11 LEU 17 25.439 -10.737 6.343 116 2HD1 LEU 17 HD12 LEU 17 25.574 -10.069 7.974 117 3HD1 LEU 17 HD13 LEU 17 26.700 -9.561 6.712 118 1HD2 LEU 17 HD21 LEU 17 24.533 -7.303 8.118 119 2HD2 LEU 17 HD22 LEU 17 24.942 -6.601 6.552 120 3HD2 LEU 17 HD23 LEU 17 26.173 -7.452 7.487 121 H ASN 18 HN ASN 18 27.941 -9.519 5.293 122 HA ASN 18 HA ASN 18 28.974 -7.215 6.633 123 1HB ASN 18 HB2 ASN 18 29.396 -9.414 7.582 124 2HB ASN 18 HB1 ASN 18 30.210 -9.931 6.107 125 1HD2 ASN 18 HD21 ASN 18 32.330 -9.932 6.221 126 2HD2 ASN 18 HD22 ASN 18 33.296 -8.879 7.213 127 H ARG 19 HN ARG 19 29.773 -9.003 3.697 128 HA ARG 19 HA ARG 19 32.041 -7.626 2.882 129 1HB ARG 19 HB2 ARG 19 30.205 -9.436 1.731 130 2HB ARG 19 HB1 ARG 19 30.304 -8.072 0.629 131 1HG ARG 19 HG2 ARG 19 32.902 -8.435 1.040 132 2HG ARG 19 HG1 ARG 19 32.347 -10.078 1.371 133 1HD ARG 19 HD2 ARG 19 33.005 -9.580 -1.023 134 2HD ARG 19 HD1 ARG 19 31.414 -10.306 -0.785 135 HE ARG 19 HE ARG 19 31.728 -7.390 -1.141 136 1HH1 ARG 19 HH11 ARG 19 30.363 -10.459 -2.157 137 2HH1 ARG 19 HH12 ARG 19 29.250 -9.733 -3.270 138 1HH2 ARG 19 HH21 ARG 19 30.258 -6.436 -2.618 139 2HH2 ARG 19 HH22 ARG 19 29.195 -7.458 -3.543 140 H TYR 20 HN TYR 20 28.677 -6.948 1.946 141 HA TYR 20 HA TYR 20 29.227 -4.473 0.714 142 1HB TYR 20 HB2 TYR 20 27.128 -4.876 0.042 143 2HB TYR 20 HB1 TYR 20 26.945 -6.127 1.262 144 HD1 TYR 20 HD1 TYR 20 25.842 -5.629 3.389 145 HD2 TYR 20 HD2 TYR 20 26.245 -2.654 0.373 146 HE1 TYR 20 HE1 TYR 20 24.138 -4.259 4.520 147 HE2 TYR 20 HE2 TYR 20 24.545 -1.280 1.492 148 HH TYR 20 HH TYR 20 23.674 -1.062 3.930 149 H TYR 21 HN TYR 21 28.555 -5.364 4.012 150 HA TYR 21 HA TYR 21 27.917 -2.885 5.126 151 1HB TYR 21 HB2 TYR 21 28.030 -5.393 6.063 152 2HB TYR 21 HB1 TYR 21 29.541 -4.782 6.723 153 HD1 TYR 21 HD1 TYR 21 25.888 -4.183 6.624 154 HD2 TYR 21 HD2 TYR 21 29.565 -3.444 8.616 155 HE1 TYR 21 HE1 TYR 21 24.658 -3.195 8.499 156 HE2 TYR 21 HE2 TYR 21 28.364 -2.445 10.497 157 HH TYR 21 HH TYR 21 24.804 -2.176 10.470 158 H ALA 22 HN ALA 22 31.052 -4.579 5.234 159 HA ALA 22 HA ALA 22 32.372 -2.325 6.363 160 1HB ALA 22 HB1 ALA 22 34.442 -3.705 5.911 161 2HB ALA 22 HB2 ALA 22 33.360 -4.938 5.266 162 3HB ALA 22 HB3 ALA 22 33.218 -4.435 6.953 163 H SER 23 HN SER 23 31.775 -3.406 3.120 164 HA SER 23 HA SER 23 33.709 -1.696 1.890 165 1HB SER 23 HB2 SER 23 31.188 -2.894 0.714 166 2HB SER 23 HB1 SER 23 32.512 -2.168 -0.196 167 HG SER 23 HG SER 23 32.567 -4.528 1.380 168 H LEU 24 HN LEU 24 30.480 -1.278 3.108 169 HA LEU 24 HA LEU 24 29.979 1.258 1.932 170 1HB LEU 24 HB2 LEU 24 28.442 -0.513 3.281 171 2HB LEU 24 HB1 LEU 24 28.812 0.609 4.578 172 HG LEU 24 HG LEU 24 27.876 1.856 2.077 173 1HD1 LEU 24 HD11 LEU 24 26.056 0.157 3.775 174 2HD1 LEU 24 HD12 LEU 24 26.454 -0.098 2.075 175 3HD1 LEU 24 HD13 LEU 24 25.522 1.319 2.562 176 1HD2 LEU 24 HD21 LEU 24 27.717 2.260 4.998 177 2HD2 LEU 24 HD22 LEU 24 26.339 2.820 4.054 178 3HD2 LEU 24 HD23 LEU 24 27.958 3.438 3.704 179 H ARG 25 HN ARG 25 31.318 0.078 4.975 180 HA ARG 25 HA ARG 25 31.811 2.599 6.139 181 1HB ARG 25 HB2 ARG 25 31.979 0.124 7.090 182 2HB ARG 25 HB1 ARG 25 33.671 0.316 6.655 183 1HG ARG 25 HG2 ARG 25 33.042 0.884 9.033 184 2HG ARG 25 HG1 ARG 25 33.958 2.111 8.154 185 1HD ARG 25 HD2 ARG 25 31.067 2.370 7.854 186 2HD ARG 25 HD1 ARG 25 31.612 2.525 9.526 187 HE ARG 25 HE ARG 25 33.305 4.121 8.036 188 1HH1 ARG 25 HH11 ARG 25 29.870 3.966 8.736 189 2HH1 ARG 25 HH12 ARG 25 29.608 5.667 8.473 190 1HH2 ARG 25 HH21 ARG 25 32.964 6.367 7.689 191 2HH2 ARG 25 HH22 ARG 25 31.357 7.023 7.859 192 H HIS 26 HN HIS 26 33.701 0.546 3.992 193 HA HIS 26 HA HIS 26 36.028 2.178 3.965 194 1HB HIS 26 HB2 HIS 26 35.073 -0.206 2.575 195 2HB HIS 26 HB1 HIS 26 35.966 0.869 1.510 196 HD1 HIS 26 HD1 HIS 26 36.763 -2.028 2.902 197 HD2 HIS 26 HD2 HIS 26 38.327 1.759 3.654 198 HE1 HIS 26 HE1 HIS 26 39.045 -2.415 3.881 199 HE2 HIS 26 HE2 HIS 26 40.034 -0.119 4.195 200 H TYR 27 HN TYR 27 33.298 1.826 1.737 201 HA TYR 27 HA TYR 27 33.979 3.781 -0.111 202 1HB TYR 27 HB2 TYR 27 32.051 2.094 -0.192 203 2HB TYR 27 HB1 TYR 27 31.147 3.246 0.785 204 HD1 TYR 27 HD1 TYR 27 33.320 3.429 -2.257 205 HD2 TYR 27 HD2 TYR 27 29.612 4.487 -0.442 206 HE1 TYR 27 HE1 TYR 27 32.657 4.623 -4.303 207 HE2 TYR 27 HE2 TYR 27 28.956 5.685 -2.469 208 HH TYR 27 HH TYR 27 30.012 5.274 -5.277 209 H LEU 28 HN LEU 28 31.950 4.054 2.794 210 HA LEU 28 HA LEU 28 31.436 6.826 2.500 211 1HB LEU 28 HB2 LEU 28 31.128 4.819 4.652 212 2HB LEU 28 HB1 LEU 28 31.182 6.494 5.162 213 HG LEU 28 HG LEU 28 29.251 7.032 3.826 214 1HD1 LEU 28 HD11 LEU 28 28.247 4.612 2.904 215 2HD1 LEU 28 HD12 LEU 28 29.940 4.627 2.413 216 3HD1 LEU 28 HD13 LEU 28 28.874 5.949 1.937 217 1HD2 LEU 28 HD21 LEU 28 27.819 6.240 5.332 218 2HD2 LEU 28 HD22 LEU 28 29.224 5.447 6.044 219 3HD2 LEU 28 HD23 LEU 28 28.184 4.562 4.928 220 H ASN 29 HN ASN 29 34.064 5.083 4.025 221 HA ASN 29 HA ASN 29 35.200 7.336 5.360 222 1HB ASN 29 HB2 ASN 29 35.601 4.682 5.574 223 2HB ASN 29 HB1 ASN 29 36.963 5.091 4.539 224 1HD2 ASN 29 HD21 ASN 29 37.871 4.150 6.679 225 2HD2 ASN 29 HD22 ASN 29 38.353 5.345 7.842 226 H LEU 30 HN LEU 30 35.420 6.052 2.138 227 HA LEU 30 HA LEU 30 37.800 7.569 1.521 228 1HB LEU 30 HB2 LEU 30 36.440 5.324 0.424 229 2HB LEU 30 HB1 LEU 30 36.599 6.541 -0.827 230 HG LEU 30 HG LEU 30 38.493 4.665 -0.143 231 1HD1 LEU 30 HD11 LEU 30 39.892 5.797 -1.727 232 2HD1 LEU 30 HD12 LEU 30 39.030 7.316 -1.475 233 3HD1 LEU 30 HD13 LEU 30 38.217 5.960 -2.256 234 1HD2 LEU 30 HD21 LEU 30 39.428 7.329 0.929 235 2HD2 LEU 30 HD22 LEU 30 40.372 5.839 0.823 236 3HD2 LEU 30 HD23 LEU 30 38.998 5.939 1.926 237 H VAL 31 HN VAL 31 34.379 7.609 0.447 238 HA VAL 31 HA VAL 31 34.856 9.757 -1.384 239 HB VAL 31 HB VAL 31 32.109 9.037 -0.400 240 1HG1 VAL 31 HG11 VAL 31 32.241 10.892 -1.942 241 2HG1 VAL 31 HG12 VAL 31 31.535 9.501 -2.768 242 3HG1 VAL 31 HG13 VAL 31 33.219 9.938 -3.058 243 1HG2 VAL 31 HG21 VAL 31 32.341 7.415 -2.512 244 2HG2 VAL 31 HG22 VAL 31 32.671 6.888 -0.863 245 3HG2 VAL 31 HG23 VAL 31 34.000 7.349 -1.923 246 H THR 32 HN THR 32 34.964 9.906 1.832 247 HA THR 32 HA THR 32 33.541 12.411 2.156 248 HB THR 32 HB THR 32 35.088 12.177 4.393 249 HG1 THR 32 HG1 THR 32 34.304 9.513 4.068 250 1HG2 THR 32 HG21 THR 32 32.765 10.498 4.675 251 2HG2 THR 32 HG22 THR 32 32.389 11.914 3.696 252 3HG2 THR 32 HG23 THR 32 33.056 12.116 5.315 253 H ARG 33 HN ARG 33 36.338 11.541 0.701 254 HA ARG 33 HA ARG 33 37.414 14.206 0.743 255 1HB ARG 33 HB2 ARG 33 39.736 13.294 1.441 256 2HB ARG 33 HB1 ARG 33 38.561 13.675 2.689 257 1HG ARG 33 HG2 ARG 33 37.968 11.089 2.305 258 2HG ARG 33 HG1 ARG 33 39.680 11.075 1.873 259 1HD ARG 33 HD2 ARG 33 40.281 11.217 4.009 260 2HD ARG 33 HD1 ARG 33 39.271 12.642 4.244 261 HE ARG 33 HE ARG 33 37.529 10.521 4.281 262 1HH1 ARG 33 HH11 ARG 33 40.396 11.441 6.065 263 2HH1 ARG 33 HH12 ARG 33 39.900 10.631 7.519 264 1HH2 ARG 33 HH21 ARG 33 36.845 9.509 6.201 265 2HH2 ARG 33 HH22 ARG 33 37.857 9.552 7.611 266 H GLN 34 HN GLN 34 37.649 10.863 -0.254 267 HA GLN 34 HA GLN 34 38.164 9.892 -2.230 268 1HB GLN 34 HB2 GLN 34 37.254 11.788 -3.451 269 2HB GLN 34 HB1 GLN 34 38.735 12.701 -3.198 270 1HG GLN 34 HG2 GLN 34 38.576 11.798 -5.463 271 2HG GLN 34 HG1 GLN 34 39.967 11.160 -4.589 272 1HE2 GLN 34 HE21 GLN 34 40.148 9.004 -4.300 273 2HE2 GLN 34 HE22 GLN 34 38.993 7.839 -4.852 274 H ARG 35 HN ARG 35 40.479 12.556 -1.673 275 HA ARG 35 HA ARG 35 42.740 12.600 -1.536 276 1HB ARG 35 HB2 ARG 35 41.880 10.266 -0.009 277 2HB ARG 35 HB1 ARG 35 43.528 10.110 -0.599 278 1HG ARG 35 HG2 ARG 35 42.971 12.721 0.559 279 2HG ARG 35 HG1 ARG 35 42.756 11.387 1.695 280 1HD ARG 35 HD2 ARG 35 45.093 10.745 0.386 281 2HD ARG 35 HD1 ARG 35 45.193 12.497 0.546 282 HE ARG 35 HE ARG 35 44.771 12.103 2.990 283 1HH1 ARG 35 HH11 ARG 35 46.238 9.644 0.974 284 2HH1 ARG 35 HH12 ARG 35 47.079 8.870 2.279 285 1HH2 ARG 35 HH21 ARG 35 45.899 11.119 4.722 286 2HH2 ARG 35 HH22 ARG 35 46.897 9.722 4.420 287 H TYR 36 HN TYR 36 43.701 9.428 -1.786 288 HA TYR 36 HA TYR 36 43.537 9.086 -4.614 289 1HB TYR 36 HB2 TYR 36 45.590 9.753 -5.329 290 2HB TYR 36 HB1 TYR 36 45.484 10.833 -3.947 291 HD1 TYR 36 HD1 TYR 36 47.468 8.441 -5.587 292 HD2 TYR 36 HD2 TYR 36 46.465 9.844 -1.692 293 HE1 TYR 36 HE1 TYR 36 49.563 7.498 -4.714 294 HE2 TYR 36 HE2 TYR 36 48.557 8.898 -0.813 295 HH TYR 36 HH TYR 36 50.983 7.486 -2.949 296 1HN NH2 37 H1 NH2 37 44.891 5.823 -4.085 297 2HN NH2 37 H2 NH2 37 44.665 7.057 -5.276 Start of MODEL 6 1 1H TYR 1 HT1 TYR 1 35.885 5.773 -5.800 2 2H TYR 1 HT2 TYR 1 34.328 5.157 -6.078 3 3H TYR 1 HT3 TYR 1 34.755 6.685 -6.674 4 HA TYR 1 HA TYR 1 34.940 5.459 -8.542 5 1HB TYR 1 HB2 TYR 1 37.386 6.136 -7.263 6 2HB TYR 1 HB1 TYR 1 37.630 4.626 -8.135 7 HD1 TYR 1 HD1 TYR 1 38.562 4.932 -10.216 8 HD2 TYR 1 HD2 TYR 1 35.754 7.792 -8.789 9 HE1 TYR 1 HE1 TYR 1 38.769 6.180 -12.327 10 HE2 TYR 1 HE2 TYR 1 35.955 9.047 -10.889 11 HH TYR 1 HH TYR 1 37.361 7.797 -13.661 12 HA PRO 2 HA PRO 2 36.261 0.883 -7.011 13 1HB PRO 2 HB2 PRO 2 34.923 0.733 -4.502 14 2HB PRO 2 HB1 PRO 2 36.646 0.525 -4.813 15 1HG PRO 2 HG2 PRO 2 35.175 2.892 -3.830 16 2HG PRO 2 HG1 PRO 2 36.862 2.423 -3.570 17 1HD PRO 2 HD2 PRO 2 36.178 4.450 -5.197 18 2HD PRO 2 HD1 PRO 2 37.568 3.398 -5.537 19 H ILE 3 HN ILE 3 34.713 -0.833 -7.007 20 HA ILE 3 HA ILE 3 32.737 -0.512 -8.771 21 HB ILE 3 HB ILE 3 33.419 -2.693 -8.282 22 1HG1 ILE 3 HG12 ILE 3 31.009 -3.603 -7.285 23 2HG1 ILE 3 HG11 ILE 3 30.592 -2.043 -7.993 24 1HG2 ILE 3 HG21 ILE 3 32.186 -3.087 -5.670 25 2HG2 ILE 3 HG22 ILE 3 33.528 -1.945 -5.663 26 3HG2 ILE 3 HG23 ILE 3 33.768 -3.585 -6.269 27 1HD1 ILE 3 HD11 ILE 3 32.098 -4.199 -9.448 28 2HD1 ILE 3 HD12 ILE 3 31.429 -2.712 -10.118 29 3HD1 ILE 3 HD13 ILE 3 30.349 -3.974 -9.530 30 H LYS 4 HN LYS 4 31.602 -1.214 -5.468 31 HA LYS 4 HA LYS 4 30.121 0.977 -4.826 32 1HB LYS 4 HB2 LYS 4 28.967 -0.280 -7.133 33 2HB LYS 4 HB1 LYS 4 27.877 -0.500 -5.773 34 1HG LYS 4 HG2 LYS 4 27.814 1.895 -5.399 35 2HG LYS 4 HG1 LYS 4 28.978 2.146 -6.701 36 1HD LYS 4 HD2 LYS 4 26.171 1.068 -6.949 37 2HD LYS 4 HD1 LYS 4 26.777 2.613 -7.543 38 1HE LYS 4 HE2 LYS 4 27.627 -0.122 -8.497 39 2HE LYS 4 HE1 LYS 4 26.571 0.994 -9.359 40 1HZ LYS 4 HZ1 LYS 4 28.579 1.406 -10.341 41 2HZ LYS 4 HZ2 LYS 4 29.475 1.147 -8.921 42 3HZ LYS 4 HZ3 LYS 4 28.598 2.583 -9.125 43 HA PRO 5 HA PRO 5 28.887 -2.028 -1.674 44 1HB PRO 5 HB2 PRO 5 27.205 -0.478 -0.242 45 2HB PRO 5 HB1 PRO 5 28.958 -0.262 -0.170 46 1HG PRO 5 HG2 PRO 5 26.915 1.293 -1.697 47 2HG PRO 5 HG1 PRO 5 28.325 1.879 -0.797 48 1HD PRO 5 HD2 PRO 5 28.273 1.573 -3.521 49 2HD PRO 5 HD1 PRO 5 29.753 1.492 -2.546 50 H GLU 6 HN GLU 6 27.828 -3.238 -3.387 51 HA GLU 6 HA GLU 6 25.455 -2.564 -4.644 52 1HB GLU 6 HB2 GLU 6 25.274 -5.119 -5.007 53 2HB GLU 6 HB1 GLU 6 26.654 -4.260 -5.675 54 1HG GLU 6 HG2 GLU 6 28.012 -5.638 -4.616 55 2HG GLU 6 HG1 GLU 6 27.372 -5.075 -3.073 56 H ALA 7 HN ALA 7 25.926 -4.202 -1.580 57 HA ALA 7 HA ALA 7 24.527 -4.751 0.117 58 1HB ALA 7 HB1 ALA 7 22.080 -3.765 -0.156 59 2HB ALA 7 HB2 ALA 7 22.889 -2.754 -1.353 60 3HB ALA 7 HB3 ALA 7 23.446 -2.755 0.320 61 HA PRO 8 HA PRO 8 22.953 -8.337 -2.031 62 1HB PRO 8 HB2 PRO 8 23.186 -10.063 0.007 63 2HB PRO 8 HB1 PRO 8 24.601 -9.445 -0.855 64 1HG PRO 8 HG2 PRO 8 23.460 -8.573 1.772 65 2HG PRO 8 HG1 PRO 8 25.152 -8.849 1.321 66 1HD PRO 8 HD2 PRO 8 23.988 -6.371 1.404 67 2HD PRO 8 HD1 PRO 8 25.357 -6.783 0.351 68 H GLY 9 HN GLY 9 21.072 -6.380 -0.903 69 1HA GLY 9 HA2 GLY 9 18.730 -6.508 -0.950 70 2HA GLY 9 HA1 GLY 9 18.843 -8.234 -0.637 71 H GLU 10 HN GLU 10 20.865 -6.716 1.453 72 HA GLU 10 HA GLU 10 20.889 -6.334 3.672 73 1HB GLU 10 HB2 GLU 10 17.983 -5.583 3.393 74 2HB GLU 10 HB1 GLU 10 19.083 -5.099 4.676 75 1HG GLU 10 HG2 GLU 10 19.343 -4.319 1.778 76 2HG GLU 10 HG1 GLU 10 18.668 -3.308 3.054 77 H ASP 11 HN ASP 11 19.685 -8.852 2.400 78 HA ASP 11 HA ASP 11 19.240 -10.250 4.885 79 1HB ASP 11 HB2 ASP 11 16.955 -9.436 4.222 80 2HB ASP 11 HB1 ASP 11 17.118 -10.338 2.719 81 H ALA 12 HN ALA 12 21.213 -11.214 4.225 82 HA ALA 12 HA ALA 12 20.977 -13.183 2.082 83 1HB ALA 12 HB1 ALA 12 22.976 -12.381 0.937 84 2HB ALA 12 HB2 ALA 12 23.072 -11.016 2.056 85 3HB ALA 12 HB3 ALA 12 21.706 -11.154 0.942 86 H SER 13 HN SER 13 23.760 -13.644 1.842 87 HA SER 13 HA SER 13 24.303 -15.259 4.087 88 1HB SER 13 HB2 SER 13 26.707 -14.679 2.677 89 2HB SER 13 HB1 SER 13 25.727 -16.142 2.598 90 HG SER 13 HG SER 13 26.134 -14.568 0.638 91 HA PRO 14 HA PRO 14 25.852 -12.454 7.070 92 1HB PRO 14 HB2 PRO 14 27.925 -14.030 8.056 93 2HB PRO 14 HB1 PRO 14 26.241 -14.087 8.589 94 1HG PRO 14 HG2 PRO 14 27.678 -15.840 6.643 95 2HG PRO 14 HG1 PRO 14 26.455 -16.272 7.852 96 1HD PRO 14 HD2 PRO 14 25.836 -16.086 5.262 97 2HD PRO 14 HD1 PRO 14 24.702 -15.536 6.518 98 H GLU 15 HN GLU 15 28.344 -14.121 5.142 99 HA GLU 15 HA GLU 15 30.301 -12.092 5.583 100 1HB GLU 15 HB2 GLU 15 30.124 -14.559 3.929 101 2HB GLU 15 HB1 GLU 15 31.303 -13.345 3.452 102 1HG GLU 15 HG2 GLU 15 31.122 -14.696 6.132 103 2HG GLU 15 HG1 GLU 15 32.318 -15.007 4.876 104 H GLU 16 HN GLU 16 27.771 -12.577 3.253 105 HA GLU 16 HA GLU 16 28.761 -10.745 1.300 106 1HB GLU 16 HB2 GLU 16 26.435 -12.424 1.634 107 2HB GLU 16 HB1 GLU 16 25.957 -10.815 1.109 108 1HG GLU 16 HG2 GLU 16 26.300 -12.283 -0.788 109 2HG GLU 16 HG1 GLU 16 27.483 -10.973 -0.782 110 H LEU 17 HN LEU 17 26.371 -10.606 3.893 111 HA LEU 17 HA LEU 17 25.820 -7.852 3.634 112 1HB LEU 17 HB2 LEU 17 24.464 -9.569 4.900 113 2HB LEU 17 HB1 LEU 17 25.664 -9.457 6.180 114 HG LEU 17 HG LEU 17 25.094 -6.872 6.019 115 1HD1 LEU 17 HD11 LEU 17 22.589 -8.218 5.015 116 2HD1 LEU 17 HD12 LEU 17 23.574 -7.042 4.148 117 3HD1 LEU 17 HD13 LEU 17 22.686 -6.553 5.590 118 1HD2 LEU 17 HD21 LEU 17 24.854 -8.367 7.985 119 2HD2 LEU 17 HD22 LEU 17 23.256 -8.828 7.396 120 3HD2 LEU 17 HD23 LEU 17 23.576 -7.158 7.862 121 H ASN 18 HN ASN 18 28.181 -9.652 5.550 122 HA ASN 18 HA ASN 18 29.318 -7.468 6.919 123 1HB ASN 18 HB2 ASN 18 29.818 -9.657 7.717 124 2HB ASN 18 HB1 ASN 18 30.389 -10.181 6.137 125 1HD2 ASN 18 HD21 ASN 18 32.459 -10.632 6.334 126 2HD2 ASN 18 HD22 ASN 18 33.640 -9.614 7.094 127 H ARG 19 HN ARG 19 30.000 -8.919 3.770 128 HA ARG 19 HA ARG 19 32.301 -7.443 3.141 129 1HB ARG 19 HB2 ARG 19 30.338 -9.048 1.676 130 2HB ARG 19 HB1 ARG 19 31.065 -7.770 0.709 131 1HG ARG 19 HG2 ARG 19 33.303 -8.608 1.381 132 2HG ARG 19 HG1 ARG 19 32.506 -9.949 2.203 133 1HD ARG 19 HD2 ARG 19 31.863 -9.435 -0.658 134 2HD ARG 19 HD1 ARG 19 33.407 -10.187 -0.260 135 HE ARG 19 HE ARG 19 30.811 -11.399 -0.154 136 1HH1 ARG 19 HH11 ARG 19 34.024 -11.496 1.249 137 2HH1 ARG 19 HH12 ARG 19 33.885 -13.145 1.768 138 1HH2 ARG 19 HH21 ARG 19 30.630 -13.554 0.497 139 2HH2 ARG 19 HH22 ARG 19 31.956 -14.333 1.326 140 H TYR 20 HN TYR 20 28.929 -6.806 2.162 141 HA TYR 20 HA TYR 20 29.451 -4.284 1.019 142 1HB TYR 20 HB2 TYR 20 27.339 -4.605 0.342 143 2HB TYR 20 HB1 TYR 20 27.173 -5.958 1.451 144 HD1 TYR 20 HD1 TYR 20 26.104 -5.657 3.632 145 HD2 TYR 20 HD2 TYR 20 26.435 -2.423 0.878 146 HE1 TYR 20 HE1 TYR 20 24.425 -4.401 4.918 147 HE2 TYR 20 HE2 TYR 20 24.758 -1.154 2.158 148 HH TYR 20 HH TYR 20 22.650 -2.343 4.080 149 H TYR 21 HN TYR 21 28.697 -5.300 4.267 150 HA TYR 21 HA TYR 21 28.090 -2.985 5.603 151 1HB TYR 21 HB2 TYR 21 28.707 -5.559 6.272 152 2HB TYR 21 HB1 TYR 21 30.092 -4.697 6.923 153 HD1 TYR 21 HD1 TYR 21 29.953 -3.572 8.952 154 HD2 TYR 21 HD2 TYR 21 26.393 -4.860 7.019 155 HE1 TYR 21 HE1 TYR 21 28.683 -3.047 10.975 156 HE2 TYR 21 HE2 TYR 21 25.095 -4.329 9.038 157 HH TYR 21 HH TYR 21 25.740 -2.466 11.219 158 H ALA 22 HN ALA 22 31.366 -4.348 5.556 159 HA ALA 22 HA ALA 22 32.516 -1.940 6.528 160 1HB ALA 22 HB1 ALA 22 33.486 -4.070 7.070 161 2HB ALA 22 HB2 ALA 22 34.660 -3.095 6.190 162 3HB ALA 22 HB3 ALA 22 33.806 -4.398 5.367 163 H SER 23 HN SER 23 32.043 -3.271 3.323 164 HA SER 23 HA SER 23 33.851 -1.603 1.946 165 1HB SER 23 HB2 SER 23 31.282 -2.890 0.998 166 2HB SER 23 HB1 SER 23 32.459 -2.112 -0.060 167 HG SER 23 HG SER 23 32.729 -4.460 1.477 168 H LEU 24 HN LEU 24 30.457 -1.152 2.842 169 HA LEU 24 HA LEU 24 30.126 1.309 1.485 170 1HB LEU 24 HB2 LEU 24 28.067 0.446 1.896 171 2HB LEU 24 HB1 LEU 24 28.587 -0.377 3.350 172 HG LEU 24 HG LEU 24 28.550 2.438 3.861 173 1HD1 LEU 24 HD11 LEU 24 26.973 2.854 2.195 174 2HD1 LEU 24 HD12 LEU 24 25.998 2.604 3.646 175 3HD1 LEU 24 HD13 LEU 24 26.156 1.312 2.453 176 1HD2 LEU 24 HD21 LEU 24 28.012 0.075 5.159 177 2HD2 LEU 24 HD22 LEU 24 26.419 0.821 5.014 178 3HD2 LEU 24 HD23 LEU 24 27.737 1.693 5.804 179 H ARG 25 HN ARG 25 31.045 0.351 4.749 180 HA ARG 25 HA ARG 25 31.192 2.901 5.901 181 1HB ARG 25 HB2 ARG 25 32.359 0.243 6.450 182 2HB ARG 25 HB1 ARG 25 33.239 1.609 7.125 183 1HG ARG 25 HG2 ARG 25 31.826 1.589 8.825 184 2HG ARG 25 HG1 ARG 25 30.549 2.086 7.709 185 1HD ARG 25 HD2 ARG 25 30.524 -0.502 7.169 186 2HD ARG 25 HD1 ARG 25 31.192 -0.604 8.798 187 HE ARG 25 HE ARG 25 28.523 0.295 8.045 188 1HH1 ARG 25 HH11 ARG 25 30.918 -0.187 10.559 189 2HH1 ARG 25 HH12 ARG 25 29.758 -0.081 11.850 190 1HH2 ARG 25 HH21 ARG 25 26.996 0.414 9.747 191 2HH2 ARG 25 HH22 ARG 25 27.546 0.262 11.395 192 H HIS 26 HN HIS 26 33.796 0.970 4.415 193 HA HIS 26 HA HIS 26 35.722 3.026 4.588 194 1HB HIS 26 HB2 HIS 26 36.142 0.521 4.261 195 2HB HIS 26 HB1 HIS 26 35.804 0.801 2.554 196 HD1 HIS 26 HD1 HIS 26 37.909 0.998 1.289 197 HD2 HIS 26 HD2 HIS 26 38.225 2.667 5.085 198 HE1 HIS 26 HE1 HIS 26 40.217 1.998 1.403 199 HE2 HIS 26 HE2 HIS 26 40.303 3.179 3.633 200 H TYR 27 HN TYR 27 33.489 2.064 2.025 201 HA TYR 27 HA TYR 27 34.441 3.816 0.053 202 1HB TYR 27 HB2 TYR 27 32.596 1.930 -0.050 203 2HB TYR 27 HB1 TYR 27 31.507 3.271 0.291 204 HD1 TYR 27 HD1 TYR 27 31.969 5.419 -1.258 205 HD2 TYR 27 HD2 TYR 27 32.960 1.404 -2.255 206 HE1 TYR 27 HE1 TYR 27 31.996 6.026 -3.632 207 HE2 TYR 27 HE2 TYR 27 32.992 2.001 -4.639 208 HH TYR 27 HH TYR 27 32.408 3.586 -6.155 209 H LEU 28 HN LEU 28 31.787 4.199 2.395 210 HA LEU 28 HA LEU 28 31.252 6.869 1.540 211 1HB LEU 28 HB2 LEU 28 30.353 5.326 3.965 212 2HB LEU 28 HB1 LEU 28 29.807 6.952 3.604 213 HG LEU 28 HG LEU 28 29.044 4.378 2.358 214 1HD1 LEU 28 HD11 LEU 28 27.201 5.150 3.353 215 2HD1 LEU 28 HD12 LEU 28 27.056 6.198 1.940 216 3HD1 LEU 28 HD13 LEU 28 27.811 6.805 3.416 217 1HD2 LEU 28 HD21 LEU 28 28.269 5.852 0.326 218 2HD2 LEU 28 HD22 LEU 28 29.874 5.114 0.345 219 3HD2 LEU 28 HD23 LEU 28 29.680 6.817 0.764 220 H ASN 29 HN ASN 29 33.698 5.668 3.581 221 HA ASN 29 HA ASN 29 34.162 8.451 4.455 222 1HB ASN 29 HB2 ASN 29 34.927 7.796 6.505 223 2HB ASN 29 HB1 ASN 29 33.835 6.458 6.202 224 1HD2 ASN 29 HD21 ASN 29 34.639 4.437 5.895 225 2HD2 ASN 29 HD22 ASN 29 36.300 4.022 6.181 226 H LEU 30 HN LEU 30 35.127 6.417 2.116 227 HA LEU 30 HA LEU 30 37.825 7.438 2.088 228 1HB LEU 30 HB2 LEU 30 37.528 5.339 0.996 229 2HB LEU 30 HB1 LEU 30 36.155 5.937 0.078 230 HG LEU 30 HG LEU 30 37.623 7.416 -1.171 231 1HD1 LEU 30 HD11 LEU 30 39.963 6.062 0.136 232 2HD1 LEU 30 HD12 LEU 30 39.296 7.575 0.758 233 3HD1 LEU 30 HD13 LEU 30 39.955 7.504 -0.880 234 1HD2 LEU 30 HD21 LEU 30 39.061 5.531 -2.222 235 2HD2 LEU 30 HD22 LEU 30 37.302 5.421 -2.303 236 3HD2 LEU 30 HD23 LEU 30 38.191 4.484 -1.100 237 H VAL 31 HN VAL 31 34.646 8.198 0.885 238 HA VAL 31 HA VAL 31 35.501 10.401 -0.736 239 HB VAL 31 HB VAL 31 33.003 11.014 -0.623 240 1HG1 VAL 31 HG11 VAL 31 33.957 10.024 -2.581 241 2HG1 VAL 31 HG12 VAL 31 32.433 9.206 -2.235 242 3HG1 VAL 31 HG13 VAL 31 33.963 8.429 -1.830 243 1HG2 VAL 31 HG21 VAL 31 32.820 8.204 0.451 244 2HG2 VAL 31 HG22 VAL 31 31.483 9.282 0.051 245 3HG2 VAL 31 HG23 VAL 31 32.544 9.661 1.408 246 H THR 32 HN THR 32 36.866 11.255 0.984 247 HA THR 32 HA THR 32 37.301 13.263 2.017 248 HB THR 32 HB THR 32 34.296 13.490 1.859 249 HG1 THR 32 HG1 THR 32 34.998 14.344 0.058 250 1HG2 THR 32 HG21 THR 32 36.097 15.463 3.265 251 2HG2 THR 32 HG22 THR 32 34.875 14.445 4.027 252 3HG2 THR 32 HG23 THR 32 34.391 15.705 2.891 253 H ARG 33 HN ARG 33 35.926 10.529 3.050 254 HA ARG 33 HA ARG 33 35.633 9.427 4.998 255 1HB ARG 33 HB2 ARG 33 37.974 10.566 5.309 256 2HB ARG 33 HB1 ARG 33 37.122 11.571 6.481 257 1HG ARG 33 HG2 ARG 33 36.417 8.910 7.054 258 2HG ARG 33 HG1 ARG 33 38.159 8.924 6.770 259 1HD ARG 33 HD2 ARG 33 37.933 9.352 9.063 260 2HD ARG 33 HD1 ARG 33 38.227 10.933 8.338 261 HE ARG 33 HE ARG 33 35.493 10.649 8.401 262 1HH1 ARG 33 HH11 ARG 33 38.093 10.704 10.753 263 2HH1 ARG 33 HH12 ARG 33 37.093 11.330 12.035 264 1HH2 ARG 33 HH21 ARG 33 34.187 11.458 10.066 265 2HH2 ARG 33 HH22 ARG 33 34.852 11.737 11.645 266 H GLN 34 HN GLN 34 33.995 11.763 4.059 267 HA GLN 34 HA GLN 34 32.239 13.067 4.684 268 1HB GLN 34 HB2 GLN 34 32.029 10.583 6.226 269 2HB GLN 34 HB1 GLN 34 31.124 11.924 6.914 270 1HG GLN 34 HG2 GLN 34 29.935 12.235 4.825 271 2HG GLN 34 HG1 GLN 34 30.888 10.952 4.075 272 1HE2 GLN 34 HE21 GLN 34 30.481 8.825 4.612 273 2HE2 GLN 34 HE22 GLN 34 29.030 8.337 5.422 274 H ARG 35 HN ARG 35 34.849 13.729 5.872 275 HA ARG 35 HA ARG 35 34.055 14.794 8.486 276 1HB ARG 35 HB2 ARG 35 36.295 13.439 7.842 277 2HB ARG 35 HB1 ARG 35 36.854 15.084 7.563 278 1HG ARG 35 HG2 ARG 35 35.786 15.494 9.931 279 2HG ARG 35 HG1 ARG 35 36.050 13.755 10.096 280 1HD ARG 35 HD2 ARG 35 38.007 14.721 10.939 281 2HD ARG 35 HD1 ARG 35 38.433 14.232 9.299 282 HE ARG 35 HE ARG 35 38.509 16.472 8.659 283 1HH1 ARG 35 HH11 ARG 35 37.573 16.150 12.020 284 2HH1 ARG 35 HH12 ARG 35 37.819 17.837 12.379 285 1HH2 ARG 35 HH21 ARG 35 38.889 18.665 9.133 286 2HH2 ARG 35 HH22 ARG 35 38.591 19.266 10.746 287 H TYR 36 HN TYR 36 32.749 16.207 6.834 288 HA TYR 36 HA TYR 36 32.284 18.289 6.064 289 1HB TYR 36 HB2 TYR 36 34.496 18.836 8.012 290 2HB TYR 36 HB1 TYR 36 33.816 20.149 7.057 291 HD1 TYR 36 HD1 TYR 36 31.589 20.965 7.486 292 HD2 TYR 36 HD2 TYR 36 33.139 17.683 9.705 293 HE1 TYR 36 HE1 TYR 36 29.760 21.205 9.108 294 HE2 TYR 36 HE2 TYR 36 31.309 17.916 11.328 295 HH TYR 36 HH TYR 36 29.685 20.317 11.921 296 1HN NH2 37 H1 NH2 37 34.360 18.210 3.160 297 2HN NH2 37 H2 NH2 37 32.998 17.461 3.914 Start of MODEL 7 1 1H TYR 1 HT1 TYR 1 34.344 9.667 -10.200 2 2H TYR 1 HT2 TYR 1 35.037 11.111 -9.640 3 3H TYR 1 HT3 TYR 1 33.370 11.042 -9.972 4 HA TYR 1 HA TYR 1 34.847 10.203 -7.642 5 1HB TYR 1 HB2 TYR 1 32.276 11.437 -8.378 6 2HB TYR 1 HB1 TYR 1 32.188 10.353 -6.992 7 HD1 TYR 1 HD1 TYR 1 32.755 11.147 -4.879 8 HD2 TYR 1 HD2 TYR 1 34.158 13.238 -8.311 9 HE1 TYR 1 HE1 TYR 1 33.639 12.924 -3.426 10 HE2 TYR 1 HE2 TYR 1 35.039 15.023 -6.868 11 HH TYR 1 HH TYR 1 35.842 15.076 -4.274 12 HA PRO 2 HA PRO 2 33.580 5.953 -7.656 13 1HB PRO 2 HB2 PRO 2 33.389 5.406 -5.038 14 2HB PRO 2 HB1 PRO 2 34.948 5.761 -5.795 15 1HG PRO 2 HG2 PRO 2 33.159 7.568 -4.207 16 2HG PRO 2 HG1 PRO 2 34.916 7.355 -4.095 17 1HD PRO 2 HD2 PRO 2 33.761 9.410 -5.456 18 2HD PRO 2 HD1 PRO 2 35.325 8.703 -5.911 19 H ILE 3 HN ILE 3 31.909 4.498 -6.235 20 HA ILE 3 HA ILE 3 29.398 5.958 -5.984 21 HB ILE 3 HB ILE 3 29.398 5.169 -8.268 22 1HG1 ILE 3 HG12 ILE 3 27.522 3.347 -6.765 23 2HG1 ILE 3 HG11 ILE 3 27.288 5.090 -6.842 24 1HG2 ILE 3 HG21 ILE 3 30.747 2.939 -7.286 25 2HG2 ILE 3 HG22 ILE 3 30.276 3.266 -8.954 26 3HG2 ILE 3 HG23 ILE 3 29.213 2.329 -7.905 27 1HD1 ILE 3 HD11 ILE 3 27.335 4.830 -9.367 28 2HD1 ILE 3 HD12 ILE 3 25.926 4.194 -8.518 29 3HD1 ILE 3 HD13 ILE 3 27.188 3.098 -9.077 30 H LYS 4 HN LYS 4 28.823 2.637 -6.073 31 HA LYS 4 HA LYS 4 29.648 1.818 -3.501 32 1HB LYS 4 HB2 LYS 4 27.350 1.792 -2.452 33 2HB LYS 4 HB1 LYS 4 28.067 3.390 -2.604 34 1HG LYS 4 HG2 LYS 4 26.544 4.087 -4.138 35 2HG LYS 4 HG1 LYS 4 26.316 2.474 -4.812 36 1HD LYS 4 HD2 LYS 4 25.312 3.314 -2.097 37 2HD LYS 4 HD1 LYS 4 24.339 3.395 -3.567 38 1HE LYS 4 HE2 LYS 4 25.490 0.811 -3.428 39 2HE LYS 4 HE1 LYS 4 24.797 1.170 -1.846 40 1HZ LYS 4 HZ1 LYS 4 23.240 0.090 -3.424 41 2HZ LYS 4 HZ2 LYS 4 23.320 1.472 -4.407 42 3HZ LYS 4 HZ3 LYS 4 22.685 1.583 -2.840 43 HA PRO 5 HA PRO 5 28.244 -2.011 -5.363 44 1HB PRO 5 HB2 PRO 5 27.740 -3.031 -2.653 45 2HB PRO 5 HB1 PRO 5 28.881 -3.612 -3.868 46 1HG PRO 5 HG2 PRO 5 29.696 -2.346 -1.637 47 2HG PRO 5 HG1 PRO 5 30.546 -2.174 -3.182 48 1HD PRO 5 HD2 PRO 5 28.637 -0.294 -1.848 49 2HD PRO 5 HD1 PRO 5 30.131 0.062 -2.746 50 H GLU 6 HN GLU 6 26.278 -2.339 -6.189 51 HA GLU 6 HA GLU 6 24.041 -0.912 -5.663 52 1HB GLU 6 HB2 GLU 6 24.551 -2.497 -7.602 53 2HB GLU 6 HB1 GLU 6 23.852 -3.761 -6.599 54 1HG GLU 6 HG2 GLU 6 22.038 -3.141 -7.834 55 2HG GLU 6 HG1 GLU 6 21.847 -2.097 -6.425 56 H ALA 7 HN ALA 7 23.767 -4.365 -5.009 57 HA ALA 7 HA ALA 7 23.156 -4.291 -2.291 58 1HB ALA 7 HB1 ALA 7 20.581 -4.722 -2.710 59 2HB ALA 7 HB2 ALA 7 20.873 -3.678 -4.102 60 3HB ALA 7 HB3 ALA 7 21.209 -3.091 -2.473 61 HA PRO 8 HA PRO 8 23.578 -8.571 -3.522 62 1HB PRO 8 HB2 PRO 8 23.254 -9.180 -0.681 63 2HB PRO 8 HB1 PRO 8 24.663 -9.415 -1.716 64 1HG PRO 8 HG2 PRO 8 24.588 -7.556 0.247 65 2HG PRO 8 HG1 PRO 8 25.516 -7.332 -1.247 66 1HD PRO 8 HD2 PRO 8 22.851 -6.203 -0.479 67 2HD PRO 8 HD1 PRO 8 24.201 -5.426 -1.333 68 H GLY 9 HN GLY 9 20.994 -7.185 -1.674 69 1HA GLY 9 HA2 GLY 9 18.803 -8.039 -2.721 70 2HA GLY 9 HA1 GLY 9 19.335 -9.572 -2.037 71 H GLU 10 HN GLU 10 17.415 -9.549 -0.708 72 HA GLU 10 HA GLU 10 17.628 -7.637 1.509 73 1HB GLU 10 HB2 GLU 10 15.287 -9.327 1.670 74 2HB GLU 10 HB1 GLU 10 15.387 -7.576 1.591 75 1HG GLU 10 HG2 GLU 10 15.898 -8.684 -0.998 76 2HG GLU 10 HG1 GLU 10 14.398 -9.338 -0.348 77 H ASP 11 HN ASP 11 18.658 -10.560 0.640 78 HA ASP 11 HA ASP 11 19.151 -11.424 3.324 79 1HB ASP 11 HB2 ASP 11 17.131 -12.569 3.296 80 2HB ASP 11 HB1 ASP 11 17.183 -12.828 1.558 81 H ALA 12 HN ALA 12 21.214 -11.845 3.202 82 HA ALA 12 HA ALA 12 22.223 -13.589 1.086 83 1HB ALA 12 HB1 ALA 12 24.081 -11.431 1.777 84 2HB ALA 12 HB2 ALA 12 22.641 -10.901 0.907 85 3HB ALA 12 HB3 ALA 12 23.691 -12.135 0.207 86 H SER 13 HN SER 13 24.554 -14.233 1.639 87 HA SER 13 HA SER 13 24.611 -15.417 4.180 88 1HB SER 13 HB2 SER 13 27.201 -15.037 2.818 89 2HB SER 13 HB1 SER 13 26.408 -16.524 3.345 90 HG SER 13 HG SER 13 26.639 -15.841 0.917 91 HA PRO 14 HA PRO 14 25.699 -12.244 6.958 92 1HB PRO 14 HB2 PRO 14 27.529 -13.693 8.517 93 2HB PRO 14 HB1 PRO 14 25.785 -13.586 8.771 94 1HG PRO 14 HG2 PRO 14 27.384 -15.706 7.431 95 2HG PRO 14 HG1 PRO 14 25.917 -15.853 8.416 96 1HD PRO 14 HD2 PRO 14 25.835 -16.090 5.755 97 2HD PRO 14 HD1 PRO 14 24.525 -15.284 6.644 98 H GLU 15 HN GLU 15 28.553 -14.145 5.908 99 HA GLU 15 HA GLU 15 30.331 -11.978 6.558 100 1HB GLU 15 HB2 GLU 15 31.470 -13.968 4.771 101 2HB GLU 15 HB1 GLU 15 31.957 -13.510 6.396 102 1HG GLU 15 HG2 GLU 15 31.409 -15.701 6.717 103 2HG GLU 15 HG1 GLU 15 29.866 -14.929 7.085 104 H GLU 16 HN GLU 16 28.627 -13.045 3.750 105 HA GLU 16 HA GLU 16 30.160 -11.523 1.865 106 1HB GLU 16 HB2 GLU 16 27.414 -12.783 1.675 107 2HB GLU 16 HB1 GLU 16 28.242 -12.007 0.329 108 1HG GLU 16 HG2 GLU 16 30.125 -13.651 0.716 109 2HG GLU 16 HG1 GLU 16 29.027 -14.510 1.795 110 H LEU 17 HN LEU 17 27.100 -11.128 3.598 111 HA LEU 17 HA LEU 17 26.498 -8.530 2.707 112 1HB LEU 17 HB2 LEU 17 25.340 -10.331 4.437 113 2HB LEU 17 HB1 LEU 17 25.885 -9.068 5.526 114 HG LEU 17 HG LEU 17 24.505 -7.992 3.203 115 1HD1 LEU 17 HD11 LEU 17 22.248 -8.738 4.204 116 2HD1 LEU 17 HD12 LEU 17 23.171 -10.081 4.881 117 3HD1 LEU 17 HD13 LEU 17 23.112 -9.843 3.133 118 1HD2 LEU 17 HD21 LEU 17 24.623 -7.647 6.130 119 2HD2 LEU 17 HD22 LEU 17 23.107 -7.190 5.351 120 3HD2 LEU 17 HD23 LEU 17 24.622 -6.443 4.842 121 H ASN 18 HN ASN 18 28.428 -9.727 5.418 122 HA ASN 18 HA ASN 18 29.160 -7.242 6.497 123 1HB ASN 18 HB2 ASN 18 29.709 -8.910 7.964 124 2HB ASN 18 HB1 ASN 18 30.163 -10.032 6.686 125 1HD2 ASN 18 HD21 ASN 18 31.234 -7.201 8.486 126 2HD2 ASN 18 HD22 ASN 18 32.925 -7.489 8.279 127 H ARG 19 HN ARG 19 30.588 -9.187 3.921 128 HA ARG 19 HA ARG 19 32.931 -7.709 3.532 129 1HB ARG 19 HB2 ARG 19 31.285 -9.548 1.907 130 2HB ARG 19 HB1 ARG 19 32.340 -8.474 1.002 131 1HG ARG 19 HG2 ARG 19 33.642 -9.780 3.267 132 2HG ARG 19 HG1 ARG 19 33.060 -10.893 2.028 133 1HD ARG 19 HD2 ARG 19 34.201 -9.104 0.432 134 2HD ARG 19 HD1 ARG 19 35.164 -8.799 1.878 135 HE ARG 19 HE ARG 19 35.081 -11.279 0.310 136 1HH1 ARG 19 HH11 ARG 19 36.404 -9.459 3.001 137 2HH1 ARG 19 HH12 ARG 19 37.748 -10.529 3.233 138 1HH2 ARG 19 HH21 ARG 19 36.847 -12.695 0.625 139 2HH2 ARG 19 HH22 ARG 19 37.985 -12.380 1.909 140 H TYR 20 HN TYR 20 29.847 -7.420 1.765 141 HA TYR 20 HA TYR 20 30.566 -5.058 0.387 142 1HB TYR 20 HB2 TYR 20 28.731 -5.675 -0.734 143 2HB TYR 20 HB1 TYR 20 28.334 -6.840 0.517 144 HD1 TYR 20 HD1 TYR 20 26.868 -6.073 2.453 145 HD2 TYR 20 HD2 TYR 20 27.431 -3.759 -1.070 146 HE1 TYR 20 HE1 TYR 20 24.818 -4.809 2.961 147 HE2 TYR 20 HE2 TYR 20 25.384 -2.490 -0.576 148 HH TYR 20 HH TYR 20 24.065 -2.035 1.924 149 H TYR 21 HN TYR 21 29.145 -5.682 3.478 150 HA TYR 21 HA TYR 21 28.131 -3.207 4.207 151 1HB TYR 21 HB2 TYR 21 28.348 -5.605 5.410 152 2HB TYR 21 HB1 TYR 21 29.623 -4.745 6.257 153 HD1 TYR 21 HD1 TYR 21 29.123 -3.360 8.040 154 HD2 TYR 21 HD2 TYR 21 26.008 -4.572 5.420 155 HE1 TYR 21 HE1 TYR 21 27.474 -2.404 9.577 156 HE2 TYR 21 HE2 TYR 21 24.339 -3.618 6.946 157 HH TYR 21 HH TYR 21 24.425 -3.137 9.705 158 H ALA 22 HN ALA 22 31.299 -4.488 5.196 159 HA ALA 22 HA ALA 22 32.155 -1.987 6.213 160 1HB ALA 22 HB1 ALA 22 33.635 -4.539 5.631 161 2HB ALA 22 HB2 ALA 22 33.022 -3.968 7.185 162 3HB ALA 22 HB3 ALA 22 34.371 -3.136 6.409 163 H SER 23 HN SER 23 32.482 -3.561 3.111 164 HA SER 23 HA SER 23 34.550 -1.952 2.077 165 1HB SER 23 HB2 SER 23 32.296 -3.400 0.672 166 2HB SER 23 HB1 SER 23 33.651 -2.638 -0.164 167 HG SER 23 HG SER 23 33.634 -4.891 1.535 168 H LEU 24 HN LEU 24 31.039 -1.514 2.144 169 HA LEU 24 HA LEU 24 31.155 0.896 0.576 170 1HB LEU 24 HB2 LEU 24 29.119 0.079 0.108 171 2HB LEU 24 HB1 LEU 24 29.119 -0.957 1.519 172 HG LEU 24 HG LEU 24 28.680 1.757 2.340 173 1HD1 LEU 24 HD11 LEU 24 27.796 1.555 -0.186 174 2HD1 LEU 24 HD12 LEU 24 26.999 2.535 1.046 175 3HD1 LEU 24 HD13 LEU 24 26.392 0.921 0.674 176 1HD2 LEU 24 HD21 LEU 24 26.417 -0.069 2.443 177 2HD2 LEU 24 HD22 LEU 24 27.303 0.714 3.752 178 3HD2 LEU 24 HD23 LEU 24 27.910 -0.789 3.053 179 H ARG 25 HN ARG 25 31.100 -0.080 3.903 180 HA ARG 25 HA ARG 25 30.393 2.395 5.050 181 1HB ARG 25 HB2 ARG 25 31.304 -0.166 5.978 182 2HB ARG 25 HB1 ARG 25 32.205 1.107 6.791 183 1HG ARG 25 HG2 ARG 25 30.356 0.735 8.167 184 2HG ARG 25 HG1 ARG 25 29.931 2.181 7.248 185 1HD ARG 25 HD2 ARG 25 29.117 -0.162 5.810 186 2HD ARG 25 HD1 ARG 25 28.485 -0.222 7.455 187 HE ARG 25 HE ARG 25 28.005 1.999 5.562 188 1HH1 ARG 25 HH11 ARG 25 27.086 0.087 8.341 189 2HH1 ARG 25 HH12 ARG 25 25.465 0.717 8.412 190 1HH2 ARG 25 HH21 ARG 25 25.867 2.858 5.646 191 2HH2 ARG 25 HH22 ARG 25 24.766 2.289 6.873 192 H HIS 26 HN HIS 26 33.616 0.915 4.557 193 HA HIS 26 HA HIS 26 34.967 3.326 5.267 194 1HB HIS 26 HB2 HIS 26 35.771 0.727 4.977 195 2HB HIS 26 HB1 HIS 26 36.460 1.481 3.540 196 HD1 HIS 26 HD1 HIS 26 38.130 0.430 6.061 197 HD2 HIS 26 HD2 HIS 26 37.085 4.379 5.242 198 HE1 HIS 26 HE1 HIS 26 39.784 1.853 7.316 199 HE2 HIS 26 HE2 HIS 26 39.054 4.232 6.912 200 H TYR 27 HN TYR 27 33.782 1.964 2.266 201 HA TYR 27 HA TYR 27 34.966 3.687 0.416 202 1HB TYR 27 HB2 TYR 27 33.163 1.683 0.245 203 2HB TYR 27 HB1 TYR 27 32.090 3.061 0.055 204 HD1 TYR 27 HD1 TYR 27 35.505 2.225 -1.223 205 HD2 TYR 27 HD2 TYR 27 31.528 3.405 -2.130 206 HE1 TYR 27 HE1 TYR 27 36.086 2.333 -3.608 207 HE2 TYR 27 HE2 TYR 27 32.090 3.519 -4.514 208 HH TYR 27 HH TYR 27 35.404 2.797 -5.643 209 H LEU 28 HN LEU 28 31.740 3.964 1.893 210 HA LEU 28 HA LEU 28 31.420 6.658 0.958 211 1HB LEU 28 HB2 LEU 28 29.814 4.725 2.501 212 2HB LEU 28 HB1 LEU 28 29.471 6.414 2.817 213 HG LEU 28 HG LEU 28 27.949 5.649 1.129 214 1HD1 LEU 28 HD11 LEU 28 30.142 7.320 -0.087 215 2HD1 LEU 28 HD12 LEU 28 28.756 7.908 0.829 216 3HD1 LEU 28 HD13 LEU 28 28.514 7.146 -0.743 217 1HD2 LEU 28 HD21 LEU 28 30.231 4.151 0.228 218 2HD2 LEU 28 HD22 LEU 28 29.553 5.083 -1.105 219 3HD2 LEU 28 HD23 LEU 28 28.529 3.965 -0.204 220 H ASN 29 HN ASN 29 33.063 5.388 3.606 221 HA ASN 29 HA ASN 29 32.789 7.734 5.268 222 1HB ASN 29 HB2 ASN 29 33.205 5.805 6.532 223 2HB ASN 29 HB1 ASN 29 34.431 5.220 5.415 224 1HD2 ASN 29 HD21 ASN 29 33.739 7.441 8.014 225 2HD2 ASN 29 HD22 ASN 29 35.390 7.762 8.433 226 H LEU 30 HN LEU 30 35.450 6.265 3.392 227 HA LEU 30 HA LEU 30 37.284 8.317 4.032 228 1HB LEU 30 HB2 LEU 30 38.591 6.639 3.394 229 2HB LEU 30 HB1 LEU 30 37.272 5.843 2.561 230 HG LEU 30 HG LEU 30 38.015 7.912 0.845 231 1HD1 LEU 30 HD11 LEU 30 40.470 7.384 0.556 232 2HD1 LEU 30 HD12 LEU 30 40.412 6.675 2.170 233 3HD1 LEU 30 HD13 LEU 30 40.048 8.386 1.947 234 1HD2 LEU 30 HD21 LEU 30 37.939 5.033 0.923 235 2HD2 LEU 30 HD22 LEU 30 39.312 5.604 -0.027 236 3HD2 LEU 30 HD23 LEU 30 37.678 6.128 -0.436 237 H VAL 31 HN VAL 31 35.169 7.833 1.234 238 HA VAL 31 HA VAL 31 36.460 9.845 -0.334 239 HB VAL 31 HB VAL 31 34.678 9.572 -1.940 240 1HG1 VAL 31 HG11 VAL 31 34.742 6.811 -1.611 241 2HG1 VAL 31 HG12 VAL 31 36.228 7.398 -0.865 242 3HG1 VAL 31 HG13 VAL 31 35.864 7.804 -2.543 243 1HG2 VAL 31 HG21 VAL 31 33.042 9.077 0.219 244 2HG2 VAL 31 HG22 VAL 31 33.184 7.495 -0.548 245 3HG2 VAL 31 HG23 VAL 31 32.607 8.876 -1.480 246 H THR 32 HN THR 32 33.886 9.896 1.998 247 HA THR 32 HA THR 32 33.089 12.579 1.188 248 HB THR 32 HB THR 32 31.978 11.287 3.633 249 HG1 THR 32 HG1 THR 32 31.339 9.587 2.539 250 1HG2 THR 32 HG21 THR 32 30.121 12.298 1.660 251 2HG2 THR 32 HG22 THR 32 31.355 13.500 2.038 252 3HG2 THR 32 HG23 THR 32 30.367 12.812 3.328 253 H ARG 33 HN ARG 33 35.076 10.987 3.501 254 HA ARG 33 HA ARG 33 35.258 13.265 5.271 255 1HB ARG 33 HB2 ARG 33 36.549 10.561 5.157 256 2HB ARG 33 HB1 ARG 33 37.231 11.812 6.183 257 1HG ARG 33 HG2 ARG 33 34.403 11.648 6.601 258 2HG ARG 33 HG1 ARG 33 35.138 10.055 6.779 259 1HD ARG 33 HD2 ARG 33 35.181 11.086 8.920 260 2HD ARG 33 HD1 ARG 33 36.830 11.120 8.299 261 HE ARG 33 HE ARG 33 36.752 13.401 8.268 262 1HH1 ARG 33 HH11 ARG 33 33.502 12.131 8.645 263 2HH1 ARG 33 HH12 ARG 33 32.786 13.692 8.912 264 1HH2 ARG 33 HH21 ARG 33 35.817 15.452 8.636 265 2HH2 ARG 33 HH22 ARG 33 34.107 15.586 8.925 266 H GLN 34 HN GLN 34 36.760 12.192 2.398 267 HA GLN 34 HA GLN 34 38.637 12.747 1.248 268 1HB GLN 34 HB2 GLN 34 37.700 15.193 2.429 269 2HB GLN 34 HB1 GLN 34 39.457 15.195 2.437 270 1HG GLN 34 HG2 GLN 34 38.991 16.161 0.413 271 2HG GLN 34 HG1 GLN 34 39.220 14.474 -0.040 272 1HE2 GLN 34 HE21 GLN 34 36.378 14.713 1.622 273 2HE2 GLN 34 HE22 GLN 34 35.281 14.859 0.290 274 H ARG 35 HN ARG 35 39.176 10.932 2.925 275 HA ARG 35 HA ARG 35 40.828 11.625 5.138 276 1HB ARG 35 HB2 ARG 35 39.493 9.659 5.304 277 2HB ARG 35 HB1 ARG 35 40.159 9.002 3.816 278 1HG ARG 35 HG2 ARG 35 41.969 8.166 4.848 279 2HG ARG 35 HG1 ARG 35 42.130 9.558 5.921 280 1HD ARG 35 HD2 ARG 35 39.821 8.416 6.816 281 2HD ARG 35 HD1 ARG 35 40.764 7.003 6.337 282 HE ARG 35 HE ARG 35 41.640 9.040 8.289 283 1HH1 ARG 35 HH11 ARG 35 41.715 5.780 7.000 284 2HH1 ARG 35 HH12 ARG 35 42.749 5.168 8.263 285 1HH2 ARG 35 HH21 ARG 35 43.002 8.246 9.936 286 2HH2 ARG 35 HH22 ARG 35 43.465 6.573 9.948 287 H TYR 36 HN TYR 36 42.571 12.768 4.401 288 HA TYR 36 HA TYR 36 44.907 11.311 4.061 289 1HB TYR 36 HB2 TYR 36 43.629 12.013 1.526 290 2HB TYR 36 HB1 TYR 36 45.250 12.684 1.664 291 HD1 TYR 36 HD1 TYR 36 46.346 10.404 3.427 292 HD2 TYR 36 HD2 TYR 36 44.126 10.427 -0.199 293 HE1 TYR 36 HE1 TYR 36 47.281 8.206 2.848 294 HE2 TYR 36 HE2 TYR 36 45.057 8.228 -0.789 295 HH TYR 36 HH TYR 36 47.468 6.954 0.034 296 1HN NH2 37 H1 NH2 37 46.347 14.802 3.617 297 2HN NH2 37 H2 NH2 37 46.340 13.424 2.574 Start of MODEL 8 1 1H TYR 1 HT1 TYR 1 32.773 4.108 -9.991 2 2H TYR 1 HT2 TYR 1 31.263 4.874 -10.014 3 3H TYR 1 HT3 TYR 1 32.101 4.601 -11.465 4 HA TYR 1 HA TYR 1 30.328 3.045 -11.261 5 1HB TYR 1 HB2 TYR 1 33.145 2.066 -11.093 6 2HB TYR 1 HB1 TYR 1 31.840 0.885 -11.071 7 HD1 TYR 1 HD1 TYR 1 29.906 1.968 -12.944 8 HD2 TYR 1 HD2 TYR 1 34.151 1.939 -13.165 9 HE1 TYR 1 HE1 TYR 1 29.771 2.084 -15.397 10 HE2 TYR 1 HE2 TYR 1 34.029 2.056 -15.617 11 HH TYR 1 HH TYR 1 32.564 1.657 -17.416 12 HA PRO 2 HA PRO 2 30.605 0.954 -6.991 13 1HB PRO 2 HB2 PRO 2 32.617 1.523 -5.288 14 2HB PRO 2 HB1 PRO 2 32.755 0.260 -6.516 15 1HG PRO 2 HG2 PRO 2 33.842 3.041 -6.522 16 2HG PRO 2 HG1 PRO 2 34.590 1.541 -7.102 17 1HD PRO 2 HD2 PRO 2 33.380 3.399 -8.731 18 2HD PRO 2 HD1 PRO 2 33.568 1.687 -9.143 19 H ILE 3 HN ILE 3 29.049 1.885 -5.808 20 HA ILE 3 HA ILE 3 29.563 4.532 -4.651 21 HB ILE 3 HB ILE 3 26.930 4.759 -4.954 22 1HG1 ILE 3 HG12 ILE 3 27.779 3.084 -7.334 23 2HG1 ILE 3 HG11 ILE 3 26.668 2.576 -6.063 24 1HG2 ILE 3 HG21 ILE 3 28.167 6.512 -5.760 25 2HG2 ILE 3 HG22 ILE 3 27.564 5.837 -7.273 26 3HG2 ILE 3 HG23 ILE 3 29.204 5.473 -6.739 27 1HD1 ILE 3 HD11 ILE 3 25.035 4.147 -6.761 28 2HD1 ILE 3 HD12 ILE 3 25.598 3.298 -8.200 29 3HD1 ILE 3 HD13 ILE 3 26.171 4.931 -7.858 30 H LYS 4 HN LYS 4 26.420 3.499 -4.145 31 HA LYS 4 HA LYS 4 27.154 2.498 -1.478 32 1HB LYS 4 HB2 LYS 4 26.316 4.693 -1.167 33 2HB LYS 4 HB1 LYS 4 25.022 4.443 -2.330 34 1HG LYS 4 HG2 LYS 4 24.638 2.524 -0.319 35 2HG LYS 4 HG1 LYS 4 25.022 4.039 0.501 36 1HD LYS 4 HD2 LYS 4 22.803 4.410 0.249 37 2HD LYS 4 HD1 LYS 4 23.301 4.946 -1.358 38 1HE LYS 4 HE2 LYS 4 22.981 2.126 -1.434 39 2HE LYS 4 HE1 LYS 4 21.561 2.813 -0.648 40 1HZ LYS 4 HZ1 LYS 4 21.198 2.700 -2.998 41 2HZ LYS 4 HZ2 LYS 4 22.631 3.551 -3.321 42 3HZ LYS 4 HZ3 LYS 4 21.335 4.328 -2.551 43 HA PRO 5 HA PRO 5 24.424 -0.860 -2.744 44 1HB PRO 5 HB2 PRO 5 25.556 -2.482 -0.714 45 2HB PRO 5 HB1 PRO 5 25.966 -2.485 -2.430 46 1HG PRO 5 HG2 PRO 5 27.657 -1.695 -0.363 47 2HG PRO 5 HG1 PRO 5 27.872 -1.309 -2.078 48 1HD PRO 5 HD2 PRO 5 26.725 0.367 0.116 49 2HD PRO 5 HD1 PRO 5 27.744 0.847 -1.260 50 H GLU 6 HN GLU 6 22.363 -0.865 -2.047 51 HA GLU 6 HA GLU 6 21.768 -0.330 0.743 52 1HB GLU 6 HB2 GLU 6 19.344 -0.650 -0.143 53 2HB GLU 6 HB1 GLU 6 20.249 0.789 -0.583 54 1HG GLU 6 HG2 GLU 6 20.411 -1.546 -2.405 55 2HG GLU 6 HG1 GLU 6 18.900 -0.636 -2.359 56 H ALA 7 HN ALA 7 21.952 -3.073 -1.371 57 HA ALA 7 HA ALA 7 21.491 -4.856 0.846 58 1HB ALA 7 HB1 ALA 7 19.614 -6.030 -0.002 59 2HB ALA 7 HB2 ALA 7 19.631 -5.109 -1.507 60 3HB ALA 7 HB3 ALA 7 19.192 -4.319 0.008 61 HA PRO 8 HA PRO 8 24.107 -7.285 -1.782 62 1HB PRO 8 HB2 PRO 8 24.367 -9.423 -0.158 63 2HB PRO 8 HB1 PRO 8 25.105 -7.862 0.205 64 1HG PRO 8 HG2 PRO 8 22.800 -9.181 1.471 65 2HG PRO 8 HG1 PRO 8 23.865 -7.919 2.108 66 1HD PRO 8 HD2 PRO 8 21.250 -7.632 0.966 67 2HD PRO 8 HD1 PRO 8 22.308 -6.368 1.618 68 H GLY 9 HN GLY 9 20.947 -8.350 -0.823 69 1HA GLY 9 HA2 GLY 9 20.062 -9.509 -3.052 70 2HA GLY 9 HA1 GLY 9 21.065 -10.790 -2.378 71 H GLU 10 HN GLU 10 19.610 -12.247 -1.658 72 HA GLU 10 HA GLU 10 17.489 -11.259 0.109 73 1HB GLU 10 HB2 GLU 10 17.768 -13.718 -1.578 74 2HB GLU 10 HB1 GLU 10 16.718 -13.748 -0.167 75 1HG GLU 10 HG2 GLU 10 16.127 -11.395 -1.627 76 2HG GLU 10 HG1 GLU 10 16.177 -12.743 -2.761 77 H ASP 11 HN ASP 11 18.846 -14.502 0.069 78 HA ASP 11 HA ASP 11 19.225 -14.459 2.918 79 1HB ASP 11 HB2 ASP 11 18.435 -16.449 1.604 80 2HB ASP 11 HB1 ASP 11 20.057 -16.580 0.934 81 H ALA 12 HN ALA 12 20.732 -12.566 2.592 82 HA ALA 12 HA ALA 12 23.501 -13.515 2.227 83 1HB ALA 12 HB1 ALA 12 22.087 -11.465 0.791 84 2HB ALA 12 HB2 ALA 12 23.711 -12.100 0.525 85 3HB ALA 12 HB3 ALA 12 23.458 -10.774 1.666 86 H SER 13 HN SER 13 22.219 -13.516 4.678 87 HA SER 13 HA SER 13 22.316 -11.175 6.163 88 1HB SER 13 HB2 SER 13 22.939 -13.457 7.807 89 2HB SER 13 HB1 SER 13 21.446 -12.519 7.713 90 HG SER 13 HG SER 13 20.718 -14.358 6.925 91 HA PRO 14 HA PRO 14 26.674 -12.071 7.634 92 1HB PRO 14 HB2 PRO 14 27.954 -14.372 6.675 93 2HB PRO 14 HB1 PRO 14 27.100 -14.214 8.209 94 1HG PRO 14 HG2 PRO 14 26.344 -15.818 6.019 95 2HG PRO 14 HG1 PRO 14 25.369 -15.448 7.451 96 1HD PRO 14 HD2 PRO 14 25.302 -14.220 4.739 97 2HD PRO 14 HD1 PRO 14 23.980 -14.486 5.898 98 H GLU 15 HN GLU 15 27.948 -13.950 4.965 99 HA GLU 15 HA GLU 15 30.100 -12.169 4.793 100 1HB GLU 15 HB2 GLU 15 29.517 -14.728 3.867 101 2HB GLU 15 HB1 GLU 15 29.839 -13.790 2.415 102 1HG GLU 15 HG2 GLU 15 31.668 -13.951 4.800 103 2HG GLU 15 HG1 GLU 15 31.844 -14.889 3.317 104 H GLU 16 HN GLU 16 27.307 -12.532 2.657 105 HA GLU 16 HA GLU 16 28.288 -10.735 0.698 106 1HB GLU 16 HB2 GLU 16 25.557 -11.834 1.305 107 2HB GLU 16 HB1 GLU 16 25.808 -10.643 0.035 108 1HG GLU 16 HG2 GLU 16 26.089 -12.417 -1.276 109 2HG GLU 16 HG1 GLU 16 27.712 -12.470 -0.587 110 H LEU 17 HN LEU 17 26.274 -10.349 3.590 111 HA LEU 17 HA LEU 17 25.666 -7.603 3.040 112 1HB LEU 17 HB2 LEU 17 24.542 -9.341 4.700 113 2HB LEU 17 HB1 LEU 17 25.710 -8.662 5.828 114 HG LEU 17 HG LEU 17 24.373 -6.521 4.487 115 1HD1 LEU 17 HD11 LEU 17 22.317 -7.871 6.066 116 2HD1 LEU 17 HD12 LEU 17 22.701 -8.679 4.545 117 3HD1 LEU 17 HD13 LEU 17 22.187 -6.992 4.543 118 1HD2 LEU 17 HD21 LEU 17 25.394 -7.109 6.973 119 2HD2 LEU 17 HD22 LEU 17 23.657 -7.008 7.262 120 3HD2 LEU 17 HD23 LEU 17 24.509 -5.649 6.530 121 H ASN 18 HN ASN 18 28.018 -9.350 5.002 122 HA ASN 18 HA ASN 18 29.453 -7.190 6.044 123 1HB ASN 18 HB2 ASN 18 29.959 -9.349 6.891 124 2HB ASN 18 HB1 ASN 18 30.260 -9.994 5.282 125 1HD2 ASN 18 HD21 ASN 18 32.314 -10.370 4.882 126 2HD2 ASN 18 HD22 ASN 18 33.648 -9.477 5.540 127 H ARG 19 HN ARG 19 29.643 -8.835 2.937 128 HA ARG 19 HA ARG 19 31.929 -7.624 1.905 129 1HB ARG 19 HB2 ARG 19 29.596 -9.022 0.823 130 2HB ARG 19 HB1 ARG 19 30.280 -7.843 -0.285 131 1HG ARG 19 HG2 ARG 19 31.117 -10.425 0.001 132 2HG ARG 19 HG1 ARG 19 32.046 -9.120 -0.735 133 1HD ARG 19 HD2 ARG 19 32.846 -8.656 1.688 134 2HD ARG 19 HD1 ARG 19 32.281 -10.295 2.013 135 HE ARG 19 HE ARG 19 33.837 -10.624 -0.167 136 1HH1 ARG 19 HH11 ARG 19 34.373 -9.087 2.921 137 2HH1 ARG 19 HH12 ARG 19 36.083 -9.384 2.928 138 1HH2 ARG 19 HH21 ARG 19 36.056 -11.026 -0.191 139 2HH2 ARG 19 HH22 ARG 19 37.053 -10.511 1.142 140 H TYR 20 HN TYR 20 28.549 -6.610 1.221 141 HA TYR 20 HA TYR 20 29.376 -4.155 0.086 142 1HB TYR 20 HB2 TYR 20 27.162 -3.717 -0.304 143 2HB TYR 20 HB1 TYR 20 27.070 -5.451 -0.065 144 HD1 TYR 20 HD1 TYR 20 26.833 -2.329 2.046 145 HD2 TYR 20 HD2 TYR 20 25.308 -6.200 1.171 146 HE1 TYR 20 HE1 TYR 20 25.060 -2.004 3.721 147 HE2 TYR 20 HE2 TYR 20 23.535 -5.879 2.837 148 HH TYR 20 HH TYR 20 22.674 -2.975 4.083 149 H TYR 21 HN TYR 21 28.716 -5.157 3.319 150 HA TYR 21 HA TYR 21 28.267 -2.734 4.595 151 1HB TYR 21 HB2 TYR 21 28.391 -5.303 5.396 152 2HB TYR 21 HB1 TYR 21 29.933 -4.720 6.019 153 HD1 TYR 21 HD1 TYR 21 30.030 -3.443 7.968 154 HD2 TYR 21 HD2 TYR 21 26.296 -4.081 6.050 155 HE1 TYR 21 HE1 TYR 21 28.890 -2.453 9.891 156 HE2 TYR 21 HE2 TYR 21 25.128 -3.096 7.957 157 HH TYR 21 HH TYR 21 26.218 -2.816 10.832 158 H ALA 22 HN ALA 22 31.340 -4.518 4.508 159 HA ALA 22 HA ALA 22 32.773 -2.329 5.616 160 1HB ALA 22 HB1 ALA 22 33.703 -4.900 4.363 161 2HB ALA 22 HB2 ALA 22 33.531 -4.532 6.081 162 3HB ALA 22 HB3 ALA 22 34.778 -3.728 5.125 163 H SER 23 HN SER 23 32.050 -3.351 2.352 164 HA SER 23 HA SER 23 33.987 -1.733 1.056 165 1HB SER 23 HB2 SER 23 31.272 -2.621 0.040 166 2HB SER 23 HB1 SER 23 32.596 -2.003 -0.951 167 HG SER 23 HG SER 23 32.388 -4.457 0.423 168 H LEU 24 HN LEU 24 30.718 -1.102 2.237 169 HA LEU 24 HA LEU 24 30.656 1.542 1.083 170 1HB LEU 24 HB2 LEU 24 28.456 1.282 1.226 171 2HB LEU 24 HB1 LEU 24 28.727 -0.317 1.885 172 HG LEU 24 HG LEU 24 28.967 1.540 4.027 173 1HD1 LEU 24 HD11 LEU 24 26.698 2.511 3.989 174 2HD1 LEU 24 HD12 LEU 24 26.504 1.935 2.333 175 3HD1 LEU 24 HD13 LEU 24 27.734 3.142 2.707 176 1HD2 LEU 24 HD21 LEU 24 27.556 0.090 5.067 177 2HD2 LEU 24 HD22 LEU 24 28.074 -0.936 3.730 178 3HD2 LEU 24 HD23 LEU 24 26.523 -0.099 3.647 179 H ARG 25 HN ARG 25 31.422 0.040 4.118 180 HA ARG 25 HA ARG 25 31.379 2.455 5.642 181 1HB ARG 25 HB2 ARG 25 32.134 -0.328 6.080 182 2HB ARG 25 HB1 ARG 25 33.237 0.789 6.869 183 1HG ARG 25 HG2 ARG 25 31.313 -0.022 8.262 184 2HG ARG 25 HG1 ARG 25 31.492 1.731 8.167 185 1HD ARG 25 HD2 ARG 25 29.618 1.985 6.863 186 2HD ARG 25 HD1 ARG 25 29.728 0.355 6.205 187 HE ARG 25 HE ARG 25 28.952 -0.414 8.442 188 1HH1 ARG 25 HH11 ARG 25 28.273 2.846 7.386 189 2HH1 ARG 25 HH12 ARG 25 26.850 3.017 8.366 190 1HH2 ARG 25 HH21 ARG 25 27.034 -0.225 9.703 191 2HH2 ARG 25 HH22 ARG 25 26.136 1.267 9.674 192 H HIS 26 HN HIS 26 33.891 0.617 3.957 193 HA HIS 26 HA HIS 26 36.010 2.431 4.396 194 1HB HIS 26 HB2 HIS 26 36.082 0.011 3.508 195 2HB HIS 26 HB1 HIS 26 35.689 0.707 1.942 196 HD1 HIS 26 HD1 HIS 26 38.440 0.616 4.517 197 HD2 HIS 26 HD2 HIS 26 37.796 1.872 0.608 198 HE1 HIS 26 HE1 HIS 26 40.714 1.161 3.599 199 HE2 HIS 26 HE2 HIS 26 40.311 1.607 1.156 200 H TYR 27 HN TYR 27 33.577 2.115 1.848 201 HA TYR 27 HA TYR 27 34.474 4.195 0.188 202 1HB TYR 27 HB2 TYR 27 32.844 2.618 -0.639 203 2HB TYR 27 HB1 TYR 27 31.714 3.034 0.642 204 HD1 TYR 27 HD1 TYR 27 33.160 4.114 -2.563 205 HD2 TYR 27 HD2 TYR 27 30.323 5.005 0.482 206 HE1 TYR 27 HE1 TYR 27 32.089 5.758 -4.048 207 HE2 TYR 27 HE2 TYR 27 29.245 6.654 -0.989 208 HH TYR 27 HH TYR 27 29.633 7.954 -2.903 209 H LEU 28 HN LEU 28 31.900 4.188 2.653 210 HA LEU 28 HA LEU 28 31.180 6.860 2.460 211 1HB LEU 28 HB2 LEU 28 30.697 4.692 4.256 212 2HB LEU 28 HB1 LEU 28 30.988 6.145 5.189 213 HG LEU 28 HG LEU 28 28.600 5.780 4.750 214 1HD1 LEU 28 HD11 LEU 28 29.432 8.181 3.170 215 2HD1 LEU 28 HD12 LEU 28 29.724 8.085 4.905 216 3HD1 LEU 28 HD13 LEU 28 28.077 7.995 4.283 217 1HD2 LEU 28 HD21 LEU 28 29.313 4.876 2.323 218 2HD2 LEU 28 HD22 LEU 28 28.848 6.524 1.905 219 3HD2 LEU 28 HD23 LEU 28 27.693 5.459 2.704 220 H ASN 29 HN ASN 29 33.662 5.421 4.557 221 HA ASN 29 HA ASN 29 34.254 7.843 5.909 222 1HB ASN 29 HB2 ASN 29 34.800 5.757 6.960 223 2HB ASN 29 HB1 ASN 29 35.825 5.278 5.610 224 1HD2 ASN 29 HD21 ASN 29 35.472 7.815 8.065 225 2HD2 ASN 29 HD22 ASN 29 37.172 8.043 8.301 226 H LEU 30 HN LEU 30 35.938 6.147 3.259 227 HA LEU 30 HA LEU 30 38.031 8.078 3.165 228 1HB LEU 30 HB2 LEU 30 37.285 5.674 1.591 229 2HB LEU 30 HB1 LEU 30 38.402 6.816 0.868 230 HG LEU 30 HG LEU 30 38.787 5.021 3.222 231 1HD1 LEU 30 HD11 LEU 30 40.898 5.833 1.294 232 2HD1 LEU 30 HD12 LEU 30 39.603 4.777 0.730 233 3HD1 LEU 30 HD13 LEU 30 40.620 4.280 2.082 234 1HD2 LEU 30 HD21 LEU 30 40.914 6.959 3.039 235 2HD2 LEU 30 HD22 LEU 30 39.977 6.453 4.444 236 3HD2 LEU 30 HD23 LEU 30 39.381 7.750 3.409 237 H VAL 31 HN VAL 31 34.982 7.733 1.487 238 HA VAL 31 HA VAL 31 35.680 9.542 -0.626 239 HB VAL 31 HB VAL 31 33.100 8.294 0.267 240 1HG1 VAL 31 HG11 VAL 31 31.767 9.576 -1.071 241 2HG1 VAL 31 HG12 VAL 31 33.092 10.036 -2.140 242 3HG1 VAL 31 HG13 VAL 31 32.929 10.800 -0.559 243 1HG2 VAL 31 HG21 VAL 31 33.996 8.215 -2.530 244 2HG2 VAL 31 HG22 VAL 31 33.379 6.929 -1.495 245 3HG2 VAL 31 HG23 VAL 31 35.065 7.428 -1.370 246 H THR 32 HN THR 32 33.717 9.823 2.334 247 HA THR 32 HA THR 32 33.154 12.575 2.016 248 HB THR 32 HB THR 32 33.336 11.174 4.677 249 HG1 THR 32 HG1 THR 32 32.006 9.787 3.725 250 1HG2 THR 32 HG21 THR 32 31.184 13.071 3.852 251 2HG2 THR 32 HG22 THR 32 32.770 13.718 4.269 252 3HG2 THR 32 HG23 THR 32 31.868 12.769 5.450 253 H ARG 33 HN ARG 33 35.574 10.902 4.047 254 HA ARG 33 HA ARG 33 37.016 13.445 4.293 255 1HB ARG 33 HB2 ARG 33 36.678 11.117 5.996 256 2HB ARG 33 HB1 ARG 33 38.381 11.486 5.754 257 1HG ARG 33 HG2 ARG 33 36.741 13.831 6.352 258 2HG ARG 33 HG1 ARG 33 36.780 12.627 7.641 259 1HD ARG 33 HD2 ARG 33 38.841 13.227 8.210 260 2HD ARG 33 HD1 ARG 33 39.408 12.980 6.560 261 HE ARG 33 HE ARG 33 38.536 15.317 6.153 262 1HH1 ARG 33 HH11 ARG 33 39.625 14.246 9.306 263 2HH1 ARG 33 HH12 ARG 33 40.086 15.835 9.828 264 1HH2 ARG 33 HH21 ARG 33 39.155 17.416 6.832 265 2HH2 ARG 33 HH22 ARG 33 39.833 17.642 8.421 266 H GLN 34 HN GLN 34 37.491 13.152 1.940 267 HA GLN 34 HA GLN 34 39.115 10.956 1.126 268 1HB GLN 34 HB2 GLN 34 37.607 12.176 -0.421 269 2HB GLN 34 HB1 GLN 34 38.674 13.571 -0.317 270 1HG GLN 34 HG2 GLN 34 39.796 12.746 -2.035 271 2HG GLN 34 HG1 GLN 34 40.348 11.452 -0.976 272 1HE2 GLN 34 HE21 GLN 34 37.715 10.271 -0.679 273 2HE2 GLN 34 HE22 GLN 34 37.350 9.502 -2.190 274 H ARG 35 HN ARG 35 40.801 11.001 2.621 275 HA ARG 35 HA ARG 35 42.840 13.062 2.164 276 1HB ARG 35 HB2 ARG 35 43.958 12.159 4.131 277 2HB ARG 35 HB1 ARG 35 42.279 12.523 4.508 278 1HG ARG 35 HG2 ARG 35 41.824 10.051 4.038 279 2HG ARG 35 HG1 ARG 35 43.575 9.847 4.137 280 1HD ARG 35 HD2 ARG 35 42.413 11.402 6.331 281 2HD ARG 35 HD1 ARG 35 41.851 9.732 6.252 282 HE ARG 35 HE ARG 35 44.062 8.990 6.607 283 1HH1 ARG 35 HH11 ARG 35 43.787 12.490 6.694 284 2HH1 ARG 35 HH12 ARG 35 45.304 12.722 7.502 285 1HH2 ARG 35 HH21 ARG 35 46.067 9.289 7.685 286 2HH2 ARG 35 HH22 ARG 35 46.617 10.905 8.042 287 H TYR 36 HN TYR 36 41.884 10.532 0.615 288 HA TYR 36 HA TYR 36 44.274 8.934 0.431 289 1HB TYR 36 HB2 TYR 36 41.712 8.288 0.082 290 2HB TYR 36 HB1 TYR 36 42.077 8.732 -1.580 291 HD1 TYR 36 HD1 TYR 36 41.393 6.290 -1.943 292 HD2 TYR 36 HD2 TYR 36 44.925 7.428 0.138 293 HE1 TYR 36 HE1 TYR 36 42.329 4.049 -2.317 294 HE2 TYR 36 HE2 TYR 36 45.870 5.190 -0.234 295 HH TYR 36 HH TYR 36 44.728 2.762 -0.658 296 1HN NH2 37 H1 NH2 37 43.807 10.989 -3.086 297 2HN NH2 37 H2 NH2 37 42.424 10.346 -2.276 Start of MODEL 9 1 1H TYR 1 HT1 TYR 1 38.856 -1.217 -5.000 2 2H TYR 1 HT2 TYR 1 38.017 0.030 -5.793 3 3H TYR 1 HT3 TYR 1 39.125 -0.927 -6.649 4 HA TYR 1 HA TYR 1 37.338 -2.017 -7.315 5 1HB TYR 1 HB2 TYR 1 38.564 -3.323 -5.274 6 2HB TYR 1 HB1 TYR 1 36.899 -3.302 -4.698 7 HD1 TYR 1 HD1 TYR 1 37.312 -5.856 -4.913 8 HD2 TYR 1 HD2 TYR 1 37.020 -3.229 -8.242 9 HE1 TYR 1 HE1 TYR 1 36.780 -7.768 -6.367 10 HE2 TYR 1 HE2 TYR 1 36.491 -5.129 -9.706 11 HH TYR 1 HH TYR 1 36.501 -7.391 -9.871 12 HA PRO 2 HA PRO 2 33.621 -0.868 -4.385 13 1HB PRO 2 HB2 PRO 2 34.169 1.043 -2.499 14 2HB PRO 2 HB1 PRO 2 34.153 -0.691 -2.162 15 1HG PRO 2 HG2 PRO 2 36.480 1.114 -2.709 16 2HG PRO 2 HG1 PRO 2 36.321 -0.176 -1.500 17 1HD PRO 2 HD2 PRO 2 37.661 -0.550 -3.801 18 2HD PRO 2 HD1 PRO 2 36.717 -1.849 -3.048 19 H ILE 3 HN ILE 3 32.615 0.290 -5.904 20 HA ILE 3 HA ILE 3 33.499 3.063 -6.375 21 HB ILE 3 HB ILE 3 32.918 2.875 -8.691 22 1HG1 ILE 3 HG12 ILE 3 32.132 0.000 -8.176 23 2HG1 ILE 3 HG11 ILE 3 30.978 1.315 -8.372 24 1HG2 ILE 3 HG21 ILE 3 34.391 0.758 -9.241 25 2HG2 ILE 3 HG22 ILE 3 34.698 0.837 -7.505 26 3HG2 ILE 3 HG23 ILE 3 35.089 2.215 -8.537 27 1HD1 ILE 3 HD11 ILE 3 32.457 -0.199 -10.368 28 2HD1 ILE 3 HD12 ILE 3 32.536 1.547 -10.612 29 3HD1 ILE 3 HD13 ILE 3 30.971 0.738 -10.522 30 H LYS 4 HN LYS 4 30.901 0.797 -6.039 31 HA LYS 4 HA LYS 4 29.173 2.672 -4.841 32 1HB LYS 4 HB2 LYS 4 29.031 2.635 -7.690 33 2HB LYS 4 HB1 LYS 4 27.560 1.907 -7.065 34 1HG LYS 4 HG2 LYS 4 26.898 3.847 -5.994 35 2HG LYS 4 HG1 LYS 4 28.535 4.509 -5.969 36 1HD LYS 4 HD2 LYS 4 27.387 3.991 -8.640 37 2HD LYS 4 HD1 LYS 4 26.629 5.288 -7.716 38 1HE LYS 4 HE2 LYS 4 28.306 6.342 -8.960 39 2HE LYS 4 HE1 LYS 4 28.988 6.173 -7.344 40 1HZ LYS 4 HZ1 LYS 4 30.625 4.920 -8.125 41 2HZ LYS 4 HZ2 LYS 4 30.128 5.340 -9.690 42 3HZ LYS 4 HZ3 LYS 4 29.564 3.908 -8.979 43 HA PRO 5 HA PRO 5 28.338 -1.619 -3.777 44 1HB PRO 5 HB2 PRO 5 27.442 -0.613 -1.213 45 2HB PRO 5 HB1 PRO 5 28.881 -1.562 -1.584 46 1HG PRO 5 HG2 PRO 5 28.964 1.042 -0.772 47 2HG PRO 5 HG1 PRO 5 30.212 0.290 -1.783 48 1HD PRO 5 HD2 PRO 5 27.938 2.068 -2.582 49 2HD PRO 5 HD1 PRO 5 29.619 2.052 -3.163 50 H GLU 6 HN GLU 6 26.522 -1.800 -5.181 51 HA GLU 6 HA GLU 6 23.939 -0.882 -4.545 52 1HB GLU 6 HB2 GLU 6 25.115 -2.912 -6.332 53 2HB GLU 6 HB1 GLU 6 23.476 -3.270 -5.804 54 1HG GLU 6 HG2 GLU 6 24.001 -0.530 -6.794 55 2HG GLU 6 HG1 GLU 6 24.025 -1.837 -7.978 56 H ALA 7 HN ALA 7 22.780 -1.340 -2.806 57 HA ALA 7 HA ALA 7 23.793 -3.088 -0.837 58 1HB ALA 7 HB1 ALA 7 21.516 -1.227 -1.067 59 2HB ALA 7 HB2 ALA 7 22.752 -1.370 0.181 60 3HB ALA 7 HB3 ALA 7 21.393 -2.490 0.158 61 HA PRO 8 HA PRO 8 21.350 -6.720 -1.916 62 1HB PRO 8 HB2 PRO 8 22.851 -8.467 -0.536 63 2HB PRO 8 HB1 PRO 8 23.393 -7.823 -2.092 64 1HG PRO 8 HG2 PRO 8 24.229 -7.065 0.668 65 2HG PRO 8 HG1 PRO 8 25.208 -7.211 -0.802 66 1HD PRO 8 HD2 PRO 8 24.235 -4.830 0.242 67 2HD PRO 8 HD1 PRO 8 24.762 -5.069 -1.435 68 H GLY 9 HN GLY 9 19.569 -7.325 -0.795 69 1HA GLY 9 HA2 GLY 9 19.646 -6.987 2.141 70 2HA GLY 9 HA1 GLY 9 18.292 -6.415 1.181 71 H GLU 10 HN GLU 10 18.571 -8.825 -0.585 72 HA GLU 10 HA GLU 10 16.739 -10.442 0.939 73 1HB GLU 10 HB2 GLU 10 17.342 -9.979 -1.828 74 2HB GLU 10 HB1 GLU 10 17.341 -11.708 -1.504 75 1HG GLU 10 HG2 GLU 10 15.102 -11.274 -0.329 76 2HG GLU 10 HG1 GLU 10 15.116 -9.734 -1.192 77 H ASP 11 HN ASP 11 18.633 -10.870 2.476 78 HA ASP 11 HA ASP 11 19.965 -12.400 3.483 79 1HB ASP 11 HB2 ASP 11 18.031 -13.878 2.728 80 2HB ASP 11 HB1 ASP 11 19.076 -14.389 1.405 81 H ALA 12 HN ALA 12 21.858 -11.324 2.894 82 HA ALA 12 HA ALA 12 23.257 -12.279 0.515 83 1HB ALA 12 HB1 ALA 12 23.767 -10.107 0.412 84 2HB ALA 12 HB2 ALA 12 24.918 -10.438 1.706 85 3HB ALA 12 HB3 ALA 12 23.307 -9.830 2.093 86 H SER 13 HN SER 13 22.848 -13.479 3.423 87 HA SER 13 HA SER 13 23.967 -14.827 4.855 88 1HB SER 13 HB2 SER 13 26.354 -14.990 3.056 89 2HB SER 13 HB1 SER 13 25.553 -16.264 3.974 90 HG SER 13 HG SER 13 25.187 -15.525 1.409 91 HA PRO 14 HA PRO 14 26.657 -12.374 7.358 92 1HB PRO 14 HB2 PRO 14 28.461 -14.252 8.289 93 2HB PRO 14 HB1 PRO 14 26.859 -13.963 8.976 94 1HG PRO 14 HG2 PRO 14 27.750 -16.078 7.063 95 2HG PRO 14 HG1 PRO 14 26.618 -16.198 8.423 96 1HD PRO 14 HD2 PRO 14 25.765 -16.066 5.881 97 2HD PRO 14 HD1 PRO 14 24.869 -15.291 7.205 98 H GLU 15 HN GLU 15 27.912 -14.199 4.735 99 HA GLU 15 HA GLU 15 30.590 -13.183 4.855 100 1HB GLU 15 HB2 GLU 15 29.086 -14.553 2.615 101 2HB GLU 15 HB1 GLU 15 30.805 -14.190 2.595 102 1HG GLU 15 HG2 GLU 15 29.405 -16.020 4.528 103 2HG GLU 15 HG1 GLU 15 30.402 -16.515 3.162 104 H GLU 16 HN GLU 16 27.958 -12.664 2.500 105 HA GLU 16 HA GLU 16 29.381 -10.499 1.290 106 1HB GLU 16 HB2 GLU 16 27.048 -12.118 0.653 107 2HB GLU 16 HB1 GLU 16 26.793 -10.416 0.287 108 1HG GLU 16 HG2 GLU 16 27.654 -11.253 -1.685 109 2HG GLU 16 HG1 GLU 16 29.071 -10.557 -0.902 110 H LEU 17 HN LEU 17 26.735 -10.835 3.571 111 HA LEU 17 HA LEU 17 25.830 -8.178 3.512 112 1HB LEU 17 HB2 LEU 17 24.813 -10.162 4.761 113 2HB LEU 17 HB1 LEU 17 25.997 -9.843 6.013 114 HG LEU 17 HG LEU 17 24.721 -7.384 5.489 115 1HD1 LEU 17 HD11 LEU 17 22.879 -9.731 5.443 116 2HD1 LEU 17 HD12 LEU 17 22.819 -8.237 4.505 117 3HD1 LEU 17 HD13 LEU 17 22.368 -8.228 6.210 118 1HD2 LEU 17 HD21 LEU 17 25.556 -7.857 7.631 119 2HD2 LEU 17 HD22 LEU 17 24.667 -9.377 7.733 120 3HD2 LEU 17 HD23 LEU 17 23.801 -7.842 7.821 121 H ASN 18 HN ASN 18 28.320 -9.722 5.516 122 HA ASN 18 HA ASN 18 29.121 -7.275 6.738 123 1HB ASN 18 HB2 ASN 18 30.111 -8.689 8.157 124 2HB ASN 18 HB1 ASN 18 29.639 -10.035 7.131 125 1HD2 ASN 18 HD21 ASN 18 32.206 -8.146 8.317 126 2HD2 ASN 18 HD22 ASN 18 33.483 -8.909 7.434 127 H ARG 19 HN ARG 19 30.149 -9.119 3.925 128 HA ARG 19 HA ARG 19 32.561 -7.787 3.381 129 1HB ARG 19 HB2 ARG 19 30.932 -9.709 2.121 130 2HB ARG 19 HB1 ARG 19 31.140 -8.418 0.950 131 1HG ARG 19 HG2 ARG 19 32.807 -10.419 1.041 132 2HG ARG 19 HG1 ARG 19 33.393 -8.782 0.741 133 1HD ARG 19 HD2 ARG 19 34.843 -9.819 2.337 134 2HD ARG 19 HD1 ARG 19 33.899 -8.587 3.170 135 HE ARG 19 HE ARG 19 33.033 -10.216 4.499 136 1HH1 ARG 19 HH11 ARG 19 34.265 -11.768 1.597 137 2HH1 ARG 19 HH12 ARG 19 33.993 -13.370 2.195 138 1HH2 ARG 19 HH21 ARG 19 32.698 -12.319 5.279 139 2HH2 ARG 19 HH22 ARG 19 33.086 -13.696 4.284 140 H TYR 20 HN TYR 20 29.361 -7.205 1.894 141 HA TYR 20 HA TYR 20 30.100 -4.797 0.638 142 1HB TYR 20 HB2 TYR 20 28.092 -5.098 -0.313 143 2HB TYR 20 HB1 TYR 20 27.771 -6.418 0.803 144 HD1 TYR 20 HD1 TYR 20 26.342 -6.093 2.729 145 HD2 TYR 20 HD2 TYR 20 27.181 -2.864 0.085 146 HE1 TYR 20 HE1 TYR 20 24.492 -4.811 3.716 147 HE2 TYR 20 HE2 TYR 20 25.332 -1.575 1.065 148 HH TYR 20 HH TYR 20 22.996 -2.984 3.095 149 H TYR 21 HN TYR 21 28.901 -5.543 3.814 150 HA TYR 21 HA TYR 21 28.020 -3.132 4.780 151 1HB TYR 21 HB2 TYR 21 28.523 -5.594 5.838 152 2HB TYR 21 HB1 TYR 21 29.761 -4.623 6.628 153 HD1 TYR 21 HD1 TYR 21 26.161 -5.167 6.237 154 HD2 TYR 21 HD2 TYR 21 29.175 -2.935 8.229 155 HE1 TYR 21 HE1 TYR 21 24.494 -4.387 7.861 156 HE2 TYR 21 HE2 TYR 21 27.534 -2.148 9.861 157 HH TYR 21 HH TYR 21 24.102 -2.737 9.448 158 H ALA 22 HN ALA 22 31.317 -4.374 5.293 159 HA ALA 22 HA ALA 22 32.171 -1.818 6.235 160 1HB ALA 22 HB1 ALA 22 33.109 -3.764 7.222 161 2HB ALA 22 HB2 ALA 22 34.397 -2.885 6.394 162 3HB ALA 22 HB3 ALA 22 33.706 -4.334 5.662 163 H SER 23 HN SER 23 32.287 -3.465 3.150 164 HA SER 23 HA SER 23 34.221 -1.814 1.922 165 1HB SER 23 HB2 SER 23 31.850 -3.220 0.672 166 2HB SER 23 HB1 SER 23 33.238 -2.575 -0.205 167 HG SER 23 HG SER 23 33.116 -4.766 1.573 168 H LEU 24 HN LEU 24 30.760 -1.464 2.399 169 HA LEU 24 HA LEU 24 30.487 0.892 0.829 170 1HB LEU 24 HB2 LEU 24 28.457 -0.162 1.008 171 2HB LEU 24 HB1 LEU 24 28.774 -0.724 2.638 172 HG LEU 24 HG LEU 24 28.535 1.926 3.102 173 1HD1 LEU 24 HD11 LEU 24 27.515 1.561 0.461 174 2HD1 LEU 24 HD12 LEU 24 27.608 3.042 1.425 175 3HD1 LEU 24 HD13 LEU 24 26.191 1.991 1.545 176 1HD2 LEU 24 HD21 LEU 24 26.246 1.428 3.838 177 2HD2 LEU 24 HD22 LEU 24 27.385 0.164 4.307 178 3HD2 LEU 24 HD23 LEU 24 26.299 -0.089 2.941 179 H ARG 25 HN ARG 25 30.762 0.129 4.266 180 HA ARG 25 HA ARG 25 30.455 2.752 5.210 181 1HB ARG 25 HB2 ARG 25 31.255 0.171 6.309 182 2HB ARG 25 HB1 ARG 25 32.083 1.523 7.072 183 1HG ARG 25 HG2 ARG 25 30.267 2.094 8.208 184 2HG ARG 25 HG1 ARG 25 29.276 2.080 6.750 185 1HD ARG 25 HD2 ARG 25 28.587 -0.069 7.065 186 2HD ARG 25 HD1 ARG 25 30.066 -0.536 7.904 187 HE ARG 25 HE ARG 25 27.665 0.537 9.081 188 1HH1 ARG 25 HH11 ARG 25 31.106 0.036 9.499 189 2HH1 ARG 25 HH12 ARG 25 31.059 0.228 11.223 190 1HH2 ARG 25 HH21 ARG 25 27.590 0.747 11.371 191 2HH2 ARG 25 HH22 ARG 25 29.064 0.617 12.282 192 H HIS 26 HN HIS 26 33.385 0.911 4.362 193 HA HIS 26 HA HIS 26 35.125 3.037 5.158 194 1HB HIS 26 HB2 HIS 26 35.451 0.346 4.446 195 2HB HIS 26 HB1 HIS 26 36.373 1.269 3.260 196 HD1 HIS 26 HD1 HIS 26 36.782 3.490 5.805 197 HD2 HIS 26 HD2 HIS 26 38.080 -0.443 5.382 198 HE1 HIS 26 HE1 HIS 26 38.739 3.248 7.368 199 HE2 HIS 26 HE2 HIS 26 39.544 0.873 7.059 200 H TYR 27 HN TYR 27 33.850 1.939 2.026 201 HA TYR 27 HA TYR 27 35.251 3.824 0.459 202 1HB TYR 27 HB2 TYR 27 34.235 2.086 -0.768 203 2HB TYR 27 HB1 TYR 27 32.687 2.295 0.039 204 HD1 TYR 27 HD1 TYR 27 31.061 3.808 -0.805 205 HD2 TYR 27 HD2 TYR 27 34.953 3.725 -2.515 206 HE1 TYR 27 HE1 TYR 27 30.263 5.204 -2.662 207 HE2 TYR 27 HE2 TYR 27 34.173 5.134 -4.374 208 HH TYR 27 HH TYR 27 30.858 6.440 -4.433 209 H LEU 28 HN LEU 28 32.023 3.892 1.944 210 HA LEU 28 HA LEU 28 31.298 6.472 1.059 211 1HB LEU 28 HB2 LEU 28 30.334 4.535 3.013 212 2HB LEU 28 HB1 LEU 28 30.072 6.189 3.530 213 HG LEU 28 HG LEU 28 28.824 6.633 1.456 214 1HD1 LEU 28 HD11 LEU 28 29.259 5.350 -0.300 215 2HD1 LEU 28 HD12 LEU 28 28.194 4.159 0.447 216 3HD1 LEU 28 HD13 LEU 28 29.937 4.068 0.704 217 1HD2 LEU 28 HD21 LEU 28 27.783 5.719 3.580 218 2HD2 LEU 28 HD22 LEU 28 27.717 4.168 2.745 219 3HD2 LEU 28 HD23 LEU 28 26.845 5.557 2.095 220 H ASN 29 HN ASN 29 32.980 5.435 4.006 221 HA ASN 29 HA ASN 29 32.844 8.025 5.197 222 1HB ASN 29 HB2 ASN 29 33.388 6.946 7.077 223 2HB ASN 29 HB1 ASN 29 33.281 5.467 6.136 224 1HD2 ASN 29 HD21 ASN 29 35.353 7.719 7.709 225 2HD2 ASN 29 HD22 ASN 29 36.823 6.816 7.551 226 H LEU 30 HN LEU 30 35.273 6.358 3.278 227 HA LEU 30 HA LEU 30 37.276 8.333 4.014 228 1HB LEU 30 HB2 LEU 30 37.283 5.701 2.685 229 2HB LEU 30 HB1 LEU 30 38.494 6.839 2.121 230 HG LEU 30 HG LEU 30 38.137 6.042 5.009 231 1HD1 LEU 30 HD11 LEU 30 39.402 4.661 2.828 232 2HD1 LEU 30 HD12 LEU 30 39.188 4.156 4.503 233 3HD1 LEU 30 HD13 LEU 30 40.589 5.124 4.046 234 1HD2 LEU 30 HD21 LEU 30 39.516 7.714 5.468 235 2HD2 LEU 30 HD22 LEU 30 39.517 8.181 3.767 236 3HD2 LEU 30 HD23 LEU 30 40.718 7.036 4.368 237 H VAL 31 HN VAL 31 35.100 7.704 1.386 238 HA VAL 31 HA VAL 31 36.589 9.303 -0.499 239 HB VAL 31 HB VAL 31 34.930 7.300 -0.944 240 1HG1 VAL 31 HG11 VAL 31 32.742 8.078 -1.753 241 2HG1 VAL 31 HG12 VAL 31 33.100 9.690 -1.134 242 3HG1 VAL 31 HG13 VAL 31 32.940 8.331 -0.020 243 1HG2 VAL 31 HG21 VAL 31 36.023 7.943 -2.820 244 2HG2 VAL 31 HG22 VAL 31 35.672 9.653 -2.574 245 3HG2 VAL 31 HG23 VAL 31 34.431 8.584 -3.229 246 H THR 32 HN THR 32 34.844 10.135 2.122 247 HA THR 32 HA THR 32 33.023 12.084 1.286 248 HB THR 32 HB THR 32 33.605 13.131 3.607 249 HG1 THR 32 HG1 THR 32 34.603 10.608 4.276 250 1HG2 THR 32 HG21 THR 32 31.699 12.068 4.049 251 2HG2 THR 32 HG22 THR 32 32.630 10.619 4.427 252 3HG2 THR 32 HG23 THR 32 32.028 10.879 2.789 253 H ARG 33 HN ARG 33 36.489 12.277 1.862 254 HA ARG 33 HA ARG 33 36.484 15.152 1.373 255 1HB ARG 33 HB2 ARG 33 38.028 13.451 2.972 256 2HB ARG 33 HB1 ARG 33 39.108 13.976 1.688 257 1HG ARG 33 HG2 ARG 33 37.493 15.825 3.431 258 2HG ARG 33 HG1 ARG 33 39.188 15.408 3.695 259 1HD ARG 33 HD2 ARG 33 39.642 16.264 1.369 260 2HD ARG 33 HD1 ARG 33 37.992 16.880 1.358 261 HE ARG 33 HE ARG 33 40.114 17.776 3.200 262 1HH1 ARG 33 HH11 ARG 33 37.067 18.298 1.542 263 2HH1 ARG 33 HH12 ARG 33 37.011 19.997 1.924 264 1HH2 ARG 33 HH21 ARG 33 40.012 20.009 3.720 265 2HH2 ARG 33 HH22 ARG 33 38.671 20.955 3.149 266 H GLN 34 HN GLN 34 36.416 12.541 -0.540 267 HA GLN 34 HA GLN 34 37.048 11.994 -2.644 268 1HB GLN 34 HB2 GLN 34 36.361 14.572 -2.817 269 2HB GLN 34 HB1 GLN 34 38.058 14.723 -3.252 270 1HG GLN 34 HG2 GLN 34 37.642 14.017 -5.306 271 2HG GLN 34 HG1 GLN 34 36.905 12.538 -4.688 272 1HE2 GLN 34 HE21 GLN 34 34.678 12.454 -4.414 273 2HE2 GLN 34 HE22 GLN 34 33.610 13.602 -5.151 274 H ARG 35 HN ARG 35 39.437 14.560 -2.506 275 HA ARG 35 HA ARG 35 41.675 14.628 -2.238 276 1HB ARG 35 HB2 ARG 35 41.465 13.330 -0.220 277 2HB ARG 35 HB1 ARG 35 41.333 11.838 -1.140 278 1HG ARG 35 HG2 ARG 35 43.521 11.688 -0.584 279 2HG ARG 35 HG1 ARG 35 43.698 12.662 -2.046 280 1HD ARG 35 HD2 ARG 35 44.227 14.551 -0.894 281 2HD ARG 35 HD1 ARG 35 43.246 14.108 0.504 282 HE ARG 35 HE ARG 35 45.909 12.981 -0.097 283 1HH1 ARG 35 HH11 ARG 35 43.415 13.969 2.164 284 2HH1 ARG 35 HH12 ARG 35 44.376 13.606 3.573 285 1HH2 ARG 35 HH21 ARG 35 47.150 12.474 1.745 286 2HH2 ARG 35 HH22 ARG 35 46.486 12.744 3.331 287 H TYR 36 HN TYR 36 40.962 11.304 -3.299 288 HA TYR 36 HA TYR 36 41.770 10.027 -4.979 289 1HB TYR 36 HB2 TYR 36 40.887 11.943 -6.385 290 2HB TYR 36 HB1 TYR 36 42.529 12.576 -6.411 291 HD1 TYR 36 HD1 TYR 36 44.096 11.785 -7.975 292 HD2 TYR 36 HD2 TYR 36 40.488 9.621 -7.352 293 HE1 TYR 36 HE1 TYR 36 44.631 10.354 -9.901 294 HE2 TYR 36 HE2 TYR 36 41.017 8.184 -9.274 295 HH TYR 36 HH TYR 36 43.925 8.741 -11.253 296 1HN NH2 37 H1 NH2 37 45.503 11.642 -5.122 297 2HN NH2 37 H2 NH2 37 44.151 12.498 -5.770 Start of MODEL 10 1 1H TYR 1 HT1 TYR 1 38.564 -4.533 -7.211 2 2H TYR 1 HT2 TYR 1 36.873 -4.459 -7.096 3 3H TYR 1 HT3 TYR 1 37.781 -5.144 -5.836 4 HA TYR 1 HA TYR 1 38.413 -3.194 -4.973 5 1HB TYR 1 HB2 TYR 1 38.321 -1.059 -6.505 6 2HB TYR 1 HB1 TYR 1 39.672 -2.177 -6.630 7 HD1 TYR 1 HD1 TYR 1 36.376 -1.386 -8.188 8 HD2 TYR 1 HD2 TYR 1 40.251 -3.068 -8.695 9 HE1 TYR 1 HE1 TYR 1 35.957 -1.609 -10.598 10 HE2 TYR 1 HE2 TYR 1 39.842 -3.296 -11.110 11 HH TYR 1 HH TYR 1 37.735 -3.517 -12.610 12 HA PRO 2 HA PRO 2 34.294 -1.851 -3.988 13 1HB PRO 2 HB2 PRO 2 34.883 0.513 -2.726 14 2HB PRO 2 HB1 PRO 2 35.029 -1.075 -1.966 15 1HG PRO 2 HG2 PRO 2 37.144 0.643 -3.193 16 2HG PRO 2 HG1 PRO 2 37.205 -0.328 -1.709 17 1HD PRO 2 HD2 PRO 2 38.324 -1.164 -4.023 18 2HD PRO 2 HD1 PRO 2 37.601 -2.290 -2.859 19 H ILE 3 HN ILE 3 33.340 -1.387 -5.924 20 HA ILE 3 HA ILE 3 33.921 1.167 -7.210 21 HB ILE 3 HB ILE 3 33.895 -0.542 -8.808 22 1HG1 ILE 3 HG12 ILE 3 31.210 -0.113 -9.598 23 2HG1 ILE 3 HG11 ILE 3 31.753 1.366 -8.811 24 1HG2 ILE 3 HG21 ILE 3 32.905 -2.495 -8.480 25 2HG2 ILE 3 HG22 ILE 3 31.313 -1.740 -8.538 26 3HG2 ILE 3 HG23 ILE 3 32.185 -1.845 -7.006 27 1HD1 ILE 3 HD11 ILE 3 32.558 1.888 -10.821 28 2HD1 ILE 3 HD12 ILE 3 32.506 0.217 -11.386 29 3HD1 ILE 3 HD13 ILE 3 33.869 0.779 -10.418 30 H LYS 4 HN LYS 4 31.084 -0.674 -6.118 31 HA LYS 4 HA LYS 4 29.872 1.461 -4.785 32 1HB LYS 4 HB2 LYS 4 29.618 2.250 -7.194 33 2HB LYS 4 HB1 LYS 4 28.526 0.892 -7.428 34 1HG LYS 4 HG2 LYS 4 27.088 1.782 -5.622 35 2HG LYS 4 HG1 LYS 4 28.161 3.182 -5.504 36 1HD LYS 4 HD2 LYS 4 26.034 3.430 -6.905 37 2HD LYS 4 HD1 LYS 4 27.549 3.977 -7.617 38 1HE LYS 4 HE2 LYS 4 26.646 2.792 -9.366 39 2HE LYS 4 HE1 LYS 4 27.624 1.551 -8.587 40 1HZ LYS 4 HZ1 LYS 4 25.076 1.550 -7.405 41 2HZ LYS 4 HZ2 LYS 4 25.818 0.334 -8.318 42 3HZ LYS 4 HZ3 LYS 4 24.882 1.519 -9.091 43 HA PRO 5 HA PRO 5 27.838 -2.573 -4.029 44 1HB PRO 5 HB2 PRO 5 28.735 -3.012 -1.531 45 2HB PRO 5 HB1 PRO 5 29.702 -3.426 -2.952 46 1HG PRO 5 HG2 PRO 5 30.025 -1.198 -1.029 47 2HG PRO 5 HG1 PRO 5 31.243 -2.013 -2.021 48 1HD PRO 5 HD2 PRO 5 29.959 0.480 -2.540 49 2HD PRO 5 HD1 PRO 5 31.089 -0.392 -3.592 50 H GLU 6 HN GLU 6 25.817 -1.519 -3.990 51 HA GLU 6 HA GLU 6 25.158 -0.132 -1.480 52 1HB GLU 6 HB2 GLU 6 23.667 1.251 -2.623 53 2HB GLU 6 HB1 GLU 6 25.037 1.119 -3.712 54 1HG GLU 6 HG2 GLU 6 23.050 -0.930 -4.210 55 2HG GLU 6 HG1 GLU 6 22.385 0.698 -4.339 56 H ALA 7 HN ALA 7 24.301 -2.786 -3.558 57 HA ALA 7 HA ALA 7 22.247 -3.578 -1.621 58 1HB ALA 7 HB1 ALA 7 21.223 -4.246 -4.166 59 2HB ALA 7 HB2 ALA 7 21.669 -2.541 -4.207 60 3HB ALA 7 HB3 ALA 7 20.553 -3.131 -2.975 61 HA PRO 8 HA PRO 8 24.329 -7.433 -2.611 62 1HB PRO 8 HB2 PRO 8 23.743 -8.700 -0.330 63 2HB PRO 8 HB1 PRO 8 24.946 -7.407 -0.383 64 1HG PRO 8 HG2 PRO 8 22.147 -7.348 0.628 65 2HG PRO 8 HG1 PRO 8 23.577 -6.490 1.226 66 1HD PRO 8 HD2 PRO 8 21.574 -5.431 -0.433 67 2HD PRO 8 HD1 PRO 8 23.160 -4.704 -0.111 68 H GLY 9 HN GLY 9 21.008 -6.879 -1.805 69 1HA GLY 9 HA2 GLY 9 19.659 -8.312 -3.561 70 2HA GLY 9 HA1 GLY 9 20.204 -9.599 -2.490 71 H GLU 10 HN GLU 10 18.735 -10.175 -1.038 72 HA GLU 10 HA GLU 10 17.165 -8.054 0.260 73 1HB GLU 10 HB2 GLU 10 15.879 -9.385 -1.513 74 2HB GLU 10 HB1 GLU 10 16.007 -10.754 -0.416 75 1HG GLU 10 HG2 GLU 10 14.852 -9.445 1.315 76 2HG GLU 10 HG1 GLU 10 14.676 -8.121 0.163 77 H ASP 11 HN ASP 11 18.705 -8.204 1.941 78 HA ASP 11 HA ASP 11 19.524 -8.879 3.943 79 1HB ASP 11 HB2 ASP 11 17.170 -9.272 4.570 80 2HB ASP 11 HB1 ASP 11 17.277 -10.900 3.914 81 H ALA 12 HN ALA 12 21.462 -9.581 3.148 82 HA ALA 12 HA ALA 12 21.752 -12.305 2.200 83 1HB ALA 12 HB1 ALA 12 23.899 -11.722 1.515 84 2HB ALA 12 HB2 ALA 12 24.040 -10.431 2.705 85 3HB ALA 12 HB3 ALA 12 22.993 -10.224 1.303 86 H SER 13 HN SER 13 23.643 -13.588 3.122 87 HA SER 13 HA SER 13 23.214 -13.946 5.938 88 1HB SER 13 HB2 SER 13 25.426 -15.484 5.036 89 2HB SER 13 HB1 SER 13 23.777 -16.036 5.336 90 HG SER 13 HG SER 13 23.385 -16.043 3.262 91 HA PRO 14 HA PRO 14 26.681 -11.735 7.701 92 1HB PRO 14 HB2 PRO 14 27.799 -13.816 9.187 93 2HB PRO 14 HB1 PRO 14 26.536 -12.715 9.746 94 1HG PRO 14 HG2 PRO 14 26.299 -15.478 8.649 95 2HG PRO 14 HG1 PRO 14 25.371 -14.696 9.944 96 1HD PRO 14 HD2 PRO 14 24.336 -15.038 7.501 97 2HD PRO 14 HD1 PRO 14 23.997 -13.571 8.444 98 H GLU 15 HN GLU 15 28.861 -11.503 7.412 99 HA GLU 15 HA GLU 15 30.956 -11.767 6.574 100 1HB GLU 15 HB2 GLU 15 30.464 -14.342 6.997 101 2HB GLU 15 HB1 GLU 15 30.360 -14.376 5.244 102 1HG GLU 15 HG2 GLU 15 32.624 -14.793 6.563 103 2HG GLU 15 HG1 GLU 15 32.575 -14.042 4.967 104 H GLU 16 HN GLU 16 28.387 -13.019 4.503 105 HA GLU 16 HA GLU 16 29.433 -11.920 2.098 106 1HB GLU 16 HB2 GLU 16 26.923 -13.199 3.011 107 2HB GLU 16 HB1 GLU 16 26.806 -12.189 1.577 108 1HG GLU 16 HG2 GLU 16 27.955 -14.844 1.912 109 2HG GLU 16 HG1 GLU 16 27.358 -14.043 0.461 110 H LEU 17 HN LEU 17 26.654 -11.031 4.139 111 HA LEU 17 HA LEU 17 26.212 -8.469 3.116 112 1HB LEU 17 HB2 LEU 17 25.341 -10.008 5.378 113 2HB LEU 17 HB1 LEU 17 25.764 -8.395 5.924 114 HG LEU 17 HG LEU 17 23.765 -9.049 3.751 115 1HD1 LEU 17 HD11 LEU 17 23.516 -8.328 6.645 116 2HD1 LEU 17 HD12 LEU 17 22.708 -9.608 5.739 117 3HD1 LEU 17 HD13 LEU 17 22.236 -7.925 5.501 118 1HD2 LEU 17 HD21 LEU 17 23.222 -6.629 3.908 119 2HD2 LEU 17 HD22 LEU 17 24.825 -6.954 3.250 120 3HD2 LEU 17 HD23 LEU 17 24.650 -6.416 4.922 121 H ASN 18 HN ASN 18 28.348 -9.623 5.669 122 HA ASN 18 HA ASN 18 29.318 -7.165 6.583 123 1HB ASN 18 HB2 ASN 18 29.813 -9.020 7.937 124 2HB ASN 18 HB1 ASN 18 30.439 -9.957 6.585 125 1HD2 ASN 18 HD21 ASN 18 32.573 -10.038 6.326 126 2HD2 ASN 18 HD22 ASN 18 33.710 -8.986 7.103 127 H ARG 19 HN ARG 19 30.495 -9.298 4.002 128 HA ARG 19 HA ARG 19 32.816 -7.903 3.316 129 1HB ARG 19 HB2 ARG 19 31.130 -9.934 2.131 130 2HB ARG 19 HB1 ARG 19 31.746 -8.834 0.907 131 1HG ARG 19 HG2 ARG 19 33.790 -9.701 1.019 132 2HG ARG 19 HG1 ARG 19 33.804 -9.639 2.784 133 1HD ARG 19 HD2 ARG 19 34.028 -11.932 1.950 134 2HD ARG 19 HD1 ARG 19 32.553 -11.717 2.890 135 HE ARG 19 HE ARG 19 31.295 -12.061 0.980 136 1HH1 ARG 19 HH11 ARG 19 34.710 -11.929 0.174 137 2HH1 ARG 19 HH12 ARG 19 34.455 -12.461 -1.470 138 1HH2 ARG 19 HH21 ARG 19 30.966 -12.763 -1.124 139 2HH2 ARG 19 HH22 ARG 19 32.323 -12.932 -2.205 140 H TYR 20 HN TYR 20 29.620 -7.681 1.778 141 HA TYR 20 HA TYR 20 30.251 -5.481 0.133 142 1HB TYR 20 HB2 TYR 20 28.321 -6.250 -0.713 143 2HB TYR 20 HB1 TYR 20 27.939 -7.105 0.771 144 HD1 TYR 20 HD1 TYR 20 27.238 -4.220 -1.275 145 HD2 TYR 20 HD2 TYR 20 26.652 -5.944 2.564 146 HE1 TYR 20 HE1 TYR 20 25.361 -2.686 -0.884 147 HE2 TYR 20 HE2 TYR 20 24.768 -4.405 2.975 148 HH TYR 20 HH TYR 20 23.735 -2.077 0.471 149 H TYR 21 HN TYR 21 28.954 -5.728 3.373 150 HA TYR 21 HA TYR 21 28.118 -3.096 3.798 151 1HB TYR 21 HB2 TYR 21 27.951 -5.326 5.230 152 2HB TYR 21 HB1 TYR 21 29.384 -4.662 6.007 153 HD1 TYR 21 HD1 TYR 21 25.806 -4.215 5.412 154 HD2 TYR 21 HD2 TYR 21 29.247 -2.728 7.404 155 HE1 TYR 21 HE1 TYR 21 24.368 -2.831 6.835 156 HE2 TYR 21 HE2 TYR 21 27.838 -1.338 8.835 157 HH TYR 21 HH TYR 21 24.296 -1.544 8.702 158 H ALA 22 HN ALA 22 31.175 -4.652 4.713 159 HA ALA 22 HA ALA 22 32.285 -2.273 5.764 160 1HB ALA 22 HB1 ALA 22 33.263 -5.024 5.248 161 2HB ALA 22 HB2 ALA 22 33.240 -4.079 6.738 162 3HB ALA 22 HB3 ALA 22 34.460 -3.749 5.503 163 H SER 23 HN SER 23 32.267 -3.685 2.564 164 HA SER 23 HA SER 23 34.324 -1.964 1.541 165 1HB SER 23 HB2 SER 23 32.160 -3.449 0.028 166 2HB SER 23 HB1 SER 23 33.638 -2.765 -0.654 167 HG SER 23 HG SER 23 33.294 -5.027 0.977 168 H LEU 24 HN LEU 24 30.925 -1.701 2.104 169 HA LEU 24 HA LEU 24 30.446 0.530 0.401 170 1HB LEU 24 HB2 LEU 24 28.538 -0.746 0.879 171 2HB LEU 24 HB1 LEU 24 28.923 -0.850 2.587 172 HG LEU 24 HG LEU 24 28.528 1.780 2.461 173 1HD1 LEU 24 HD11 LEU 24 26.735 2.354 0.947 174 2HD1 LEU 24 HD12 LEU 24 26.723 0.715 0.293 175 3HD1 LEU 24 HD13 LEU 24 28.121 1.758 0.032 176 1HD2 LEU 24 HD21 LEU 24 27.279 0.621 4.010 177 2HD2 LEU 24 HD22 LEU 24 26.612 -0.482 2.808 178 3HD2 LEU 24 HD23 LEU 24 26.032 1.178 2.898 179 H ARG 25 HN ARG 25 30.860 0.064 3.906 180 HA ARG 25 HA ARG 25 30.883 2.848 4.460 181 1HB ARG 25 HB2 ARG 25 31.859 2.151 6.676 182 2HB ARG 25 HB1 ARG 25 30.310 1.429 6.272 183 1HG ARG 25 HG2 ARG 25 32.022 -0.434 5.299 184 2HG ARG 25 HG1 ARG 25 32.931 0.187 6.679 185 1HD ARG 25 HD2 ARG 25 30.048 -0.436 7.057 186 2HD ARG 25 HD1 ARG 25 31.178 -1.782 6.928 187 HE ARG 25 HE ARG 25 31.630 0.373 8.882 188 1HH1 ARG 25 HH11 ARG 25 31.040 -3.013 8.190 189 2HH1 ARG 25 HH12 ARG 25 31.451 -3.550 9.788 190 1HH2 ARG 25 HH21 ARG 25 32.164 -0.310 10.971 191 2HH2 ARG 25 HH22 ARG 25 32.096 -2.000 11.385 192 H HIS 26 HN HIS 26 33.337 0.559 3.498 193 HA HIS 26 HA HIS 26 35.624 2.088 4.137 194 1HB HIS 26 HB2 HIS 26 35.022 -0.272 2.555 195 2HB HIS 26 HB1 HIS 26 36.158 0.771 1.706 196 HD1 HIS 26 HD1 HIS 26 36.842 -2.062 2.949 197 HD2 HIS 26 HD2 HIS 26 37.699 1.640 4.640 198 HE1 HIS 26 HE1 HIS 26 38.760 -2.462 4.528 199 HE2 HIS 26 HE2 HIS 26 39.403 -0.171 5.354 200 H TYR 27 HN TYR 27 33.870 1.695 1.085 201 HA TYR 27 HA TYR 27 35.010 3.804 -0.313 202 1HB TYR 27 HB2 TYR 27 33.376 1.956 -1.115 203 2HB TYR 27 HB1 TYR 27 32.103 3.047 -0.588 204 HD1 TYR 27 HD1 TYR 27 32.532 5.582 -1.514 205 HD2 TYR 27 HD2 TYR 27 33.848 1.979 -3.366 206 HE1 TYR 27 HE1 TYR 27 32.619 6.733 -3.677 207 HE2 TYR 27 HE2 TYR 27 33.943 3.134 -5.533 208 HH TYR 27 HH TYR 27 32.914 5.096 -6.616 209 H LEU 28 HN LEU 28 32.125 3.719 1.765 210 HA LEU 28 HA LEU 28 31.585 6.507 1.320 211 1HB LEU 28 HB2 LEU 28 30.324 4.277 2.707 212 2HB LEU 28 HB1 LEU 28 30.115 5.811 3.532 213 HG LEU 28 HG LEU 28 28.232 5.529 2.118 214 1HD1 LEU 28 HD11 LEU 28 29.531 7.758 2.109 215 2HD1 LEU 28 HD12 LEU 28 28.258 7.502 0.914 216 3HD1 LEU 28 HD13 LEU 28 29.951 7.317 0.452 217 1HD2 LEU 28 HD21 LEU 28 28.223 4.518 0.119 218 2HD2 LEU 28 HD22 LEU 28 29.842 3.974 0.558 219 3HD2 LEU 28 HD23 LEU 28 29.635 5.411 -0.446 220 H ASN 29 HN ASN 29 33.942 5.101 3.198 221 HA ASN 29 HA ASN 29 33.913 7.417 5.019 222 1HB ASN 29 HB2 ASN 29 35.037 4.681 5.210 223 2HB ASN 29 HB1 ASN 29 36.071 5.958 5.843 224 1HD2 ASN 29 HD21 ASN 29 32.553 5.863 5.846 225 2HD2 ASN 29 HD22 ASN 29 32.380 5.817 7.565 226 H LEU 30 HN LEU 30 35.593 6.070 2.280 227 HA LEU 30 HA LEU 30 37.585 8.104 2.292 228 1HB LEU 30 HB2 LEU 30 36.399 6.313 0.197 229 2HB LEU 30 HB1 LEU 30 37.481 7.615 -0.258 230 HG LEU 30 HG LEU 30 39.242 6.361 0.204 231 1HD1 LEU 30 HD11 LEU 30 38.583 5.208 2.785 232 2HD1 LEU 30 HD12 LEU 30 38.399 6.962 2.745 233 3HD1 LEU 30 HD13 LEU 30 39.944 6.224 2.312 234 1HD2 LEU 30 HD21 LEU 30 38.930 3.955 0.729 235 2HD2 LEU 30 HD22 LEU 30 37.982 4.528 -0.643 236 3HD2 LEU 30 HD23 LEU 30 37.205 4.279 0.922 237 H VAL 31 HN VAL 31 34.243 7.906 1.630 238 HA VAL 31 HA VAL 31 34.152 10.612 0.543 239 HB VAL 31 HB VAL 31 31.841 8.734 1.062 240 1HG1 VAL 31 HG11 VAL 31 30.600 10.219 -0.435 241 2HG1 VAL 31 HG12 VAL 31 32.024 11.247 -0.609 242 3HG1 VAL 31 HG13 VAL 31 31.221 11.109 0.956 243 1HG2 VAL 31 HG21 VAL 31 32.152 8.951 -1.675 244 2HG2 VAL 31 HG22 VAL 31 32.617 7.566 -0.687 245 3HG2 VAL 31 HG23 VAL 31 33.808 8.806 -1.089 246 H THR 32 HN THR 32 34.868 11.703 2.332 247 HA THR 32 HA THR 32 34.549 13.169 4.021 248 HB THR 32 HB THR 32 32.466 13.989 4.533 249 HG1 THR 32 HG1 THR 32 30.682 12.080 3.990 250 1HG2 THR 32 HG21 THR 32 30.967 13.741 2.558 251 2HG2 THR 32 HG22 THR 32 32.040 12.472 1.969 252 3HG2 THR 32 HG23 THR 32 32.641 14.122 2.144 253 H ARG 33 HN ARG 33 34.738 10.066 4.327 254 HA ARG 33 HA ARG 33 34.770 8.469 5.926 255 1HB ARG 33 HB2 ARG 33 36.341 10.448 6.764 256 2HB ARG 33 HB1 ARG 33 35.166 10.492 8.075 257 1HG ARG 33 HG2 ARG 33 35.856 7.786 7.654 258 2HG ARG 33 HG1 ARG 33 37.354 8.717 7.670 259 1HD ARG 33 HD2 ARG 33 37.172 9.209 9.854 260 2HD ARG 33 HD1 ARG 33 35.426 9.449 9.758 261 HE ARG 33 HE ARG 33 35.099 7.174 10.160 262 1HH1 ARG 33 HH11 ARG 33 38.515 7.972 10.061 263 2HH1 ARG 33 HH12 ARG 33 39.014 6.468 10.779 264 1HH2 ARG 33 HH21 ARG 33 35.760 5.192 11.091 265 2HH2 ARG 33 HH22 ARG 33 37.450 4.889 11.367 266 H GLN 34 HN GLN 34 32.247 9.756 5.271 267 HA GLN 34 HA GLN 34 30.078 9.874 5.939 268 1HB GLN 34 HB2 GLN 34 30.773 7.413 6.415 269 2HB GLN 34 HB1 GLN 34 30.672 7.885 8.107 270 1HG GLN 34 HG2 GLN 34 28.570 7.056 7.753 271 2HG GLN 34 HG1 GLN 34 28.312 8.765 7.418 272 1HE2 GLN 34 HE21 GLN 34 29.993 8.073 4.848 273 2HE2 GLN 34 HE22 GLN 34 28.773 7.481 3.776 274 H ARG 35 HN ARG 35 31.470 11.938 6.930 275 HA ARG 35 HA ARG 35 29.979 12.535 9.338 276 1HB ARG 35 HB2 ARG 35 32.811 11.899 9.424 277 2HB ARG 35 HB1 ARG 35 32.501 13.527 10.007 278 1HG ARG 35 HG2 ARG 35 31.342 10.960 11.064 279 2HG ARG 35 HG1 ARG 35 32.476 12.043 11.872 280 1HD ARG 35 HD2 ARG 35 29.674 12.804 11.063 281 2HD ARG 35 HD1 ARG 35 30.126 12.245 12.671 282 HE ARG 35 HE ARG 35 31.724 14.459 11.857 283 1HH1 ARG 35 HH11 ARG 35 28.569 13.599 13.115 284 2HH1 ARG 35 HH12 ARG 35 28.293 15.151 13.852 285 1HH2 ARG 35 HH21 ARG 35 31.355 16.515 12.794 286 2HH2 ARG 35 HH22 ARG 35 29.878 16.811 13.665 287 H TYR 36 HN TYR 36 32.495 13.666 7.093 288 HA TYR 36 HA TYR 36 31.576 16.417 7.466 289 1HB TYR 36 HB2 TYR 36 33.809 15.680 5.606 290 2HB TYR 36 HB1 TYR 36 33.610 17.126 6.588 291 HD1 TYR 36 HD1 TYR 36 35.413 14.157 6.258 292 HD2 TYR 36 HD2 TYR 36 33.615 16.631 9.211 293 HE1 TYR 36 HE1 TYR 36 36.887 13.176 7.965 294 HE2 TYR 36 HE2 TYR 36 35.079 15.657 10.927 295 HH TYR 36 HH TYR 36 36.788 14.304 11.337 296 1HN NH2 37 H1 NH2 37 29.521 15.396 4.574 297 2HN NH2 37 H2 NH2 37 29.614 15.017 6.256 Start of MODEL 11 1 1H TYR 1 HT1 TYR 1 38.222 -5.352 -5.127 2 2H TYR 1 HT2 TYR 1 36.984 -4.586 -4.248 3 3H TYR 1 HT3 TYR 1 38.605 -4.389 -3.787 4 HA TYR 1 HA TYR 1 39.010 -2.809 -5.269 5 1HB TYR 1 HB2 TYR 1 38.204 -4.802 -7.006 6 2HB TYR 1 HB1 TYR 1 37.094 -3.484 -7.374 7 HD1 TYR 1 HD1 TYR 1 40.621 -4.532 -7.358 8 HD2 TYR 1 HD2 TYR 1 37.878 -1.450 -8.401 9 HE1 TYR 1 HE1 TYR 1 42.362 -3.444 -8.706 10 HE2 TYR 1 HE2 TYR 1 39.613 -0.356 -9.754 11 HH TYR 1 HH TYR 1 42.896 -1.724 -9.997 12 HA PRO 2 HA PRO 2 35.631 -0.176 -4.059 13 1HB PRO 2 HB2 PRO 2 36.973 1.911 -5.636 14 2HB PRO 2 HB1 PRO 2 36.658 1.846 -3.900 15 1HG PRO 2 HG2 PRO 2 39.138 1.571 -4.887 16 2HG PRO 2 HG1 PRO 2 38.598 0.674 -3.453 17 1HD PRO 2 HD2 PRO 2 38.836 -0.261 -6.296 18 2HD PRO 2 HD1 PRO 2 39.311 -1.090 -4.797 19 H ILE 3 HN ILE 3 34.262 -1.462 -5.586 20 HA ILE 3 HA ILE 3 33.767 -0.133 -8.119 21 HB ILE 3 HB ILE 3 33.744 -2.460 -8.372 22 1HG1 ILE 3 HG12 ILE 3 30.790 -1.980 -8.090 23 2HG1 ILE 3 HG11 ILE 3 31.729 -1.131 -9.314 24 1HG2 ILE 3 HG21 ILE 3 32.891 -2.528 -5.700 25 2HG2 ILE 3 HG22 ILE 3 33.359 -3.881 -6.729 26 3HG2 ILE 3 HG23 ILE 3 31.669 -3.386 -6.637 27 1HD1 ILE 3 HD11 ILE 3 30.563 -3.220 -10.068 28 2HD1 ILE 3 HD12 ILE 3 31.699 -4.123 -9.065 29 3HD1 ILE 3 HD13 ILE 3 32.292 -3.146 -10.407 30 H LYS 4 HN LYS 4 31.259 -1.456 -5.999 31 HA LYS 4 HA LYS 4 30.224 1.023 -5.121 32 1HB LYS 4 HB2 LYS 4 29.647 0.549 -7.783 33 2HB LYS 4 HB1 LYS 4 28.216 -0.054 -6.956 34 1HG LYS 4 HG2 LYS 4 27.654 2.016 -6.125 35 2HG LYS 4 HG1 LYS 4 29.305 2.629 -6.255 36 1HD LYS 4 HD2 LYS 4 28.991 3.338 -8.351 37 2HD LYS 4 HD1 LYS 4 28.176 1.846 -8.824 38 1HE LYS 4 HE2 LYS 4 26.534 3.422 -7.043 39 2HE LYS 4 HE1 LYS 4 27.021 4.359 -8.456 40 1HZ LYS 4 HZ1 LYS 4 26.284 2.285 -9.749 41 2HZ LYS 4 HZ2 LYS 4 25.090 3.322 -9.144 42 3HZ LYS 4 HZ3 LYS 4 25.441 1.869 -8.337 43 HA PRO 5 HA PRO 5 28.420 -2.453 -2.811 44 1HB PRO 5 HB2 PRO 5 28.643 -1.354 -0.380 45 2HB PRO 5 HB1 PRO 5 30.050 -2.041 -1.204 46 1HG PRO 5 HG2 PRO 5 29.229 0.819 -0.910 47 2HG PRO 5 HG1 PRO 5 30.849 0.105 -0.821 48 1HD PRO 5 HD2 PRO 5 29.796 1.375 -3.048 49 2HD PRO 5 HD1 PRO 5 31.137 0.213 -3.082 50 H GLU 6 HN GLU 6 26.633 -1.208 -4.243 51 HA GLU 6 HA GLU 6 24.966 0.673 -2.947 52 1HB GLU 6 HB2 GLU 6 25.161 -0.378 -5.492 53 2HB GLU 6 HB1 GLU 6 23.635 -1.031 -4.916 54 1HG GLU 6 HG2 GLU 6 22.629 1.001 -4.828 55 2HG GLU 6 HG1 GLU 6 24.133 1.854 -4.489 56 H ALA 7 HN ALA 7 24.138 -2.686 -3.817 57 HA ALA 7 HA ALA 7 23.279 -3.466 -1.260 58 1HB ALA 7 HB1 ALA 7 20.731 -3.490 -2.110 59 2HB ALA 7 HB2 ALA 7 21.289 -2.005 -2.879 60 3HB ALA 7 HB3 ALA 7 21.414 -2.192 -1.131 61 HA PRO 8 HA PRO 8 23.436 -7.062 -4.070 62 1HB PRO 8 HB2 PRO 8 24.229 -8.445 -1.615 63 2HB PRO 8 HB1 PRO 8 25.102 -8.306 -3.141 64 1HG PRO 8 HG2 PRO 8 25.914 -7.062 -0.882 65 2HG PRO 8 HG1 PRO 8 26.185 -6.382 -2.496 66 1HD PRO 8 HD2 PRO 8 24.104 -5.674 -0.463 67 2HD PRO 8 HD1 PRO 8 25.053 -4.610 -1.525 68 H GLY 9 HN GLY 9 22.047 -6.466 -0.942 69 1HA GLY 9 HA2 GLY 9 19.507 -7.251 -1.318 70 2HA GLY 9 HA1 GLY 9 20.316 -8.779 -0.988 71 H GLU 10 HN GLU 10 18.393 -6.812 0.502 72 HA GLU 10 HA GLU 10 19.886 -6.162 2.879 73 1HB GLU 10 HB2 GLU 10 16.910 -6.077 2.336 74 2HB GLU 10 HB1 GLU 10 17.704 -5.395 3.748 75 1HG GLU 10 HG2 GLU 10 17.515 -3.529 2.467 76 2HG GLU 10 HG1 GLU 10 19.095 -4.096 1.933 77 H ASP 11 HN ASP 11 20.299 -8.733 2.531 78 HA ASP 11 HA ASP 11 19.505 -9.923 4.951 79 1HB ASP 11 HB2 ASP 11 17.460 -10.684 4.281 80 2HB ASP 11 HB1 ASP 11 17.856 -10.544 2.574 81 H ALA 12 HN ALA 12 20.200 -10.970 1.620 82 HA ALA 12 HA ALA 12 21.810 -12.343 0.751 83 1HB ALA 12 HB1 ALA 12 23.665 -10.650 2.397 84 2HB ALA 12 HB2 ALA 12 22.800 -10.038 0.986 85 3HB ALA 12 HB3 ALA 12 23.949 -11.363 0.808 86 H SER 13 HN SER 13 24.124 -11.953 3.192 87 HA SER 13 HA SER 13 23.412 -14.283 4.726 88 1HB SER 13 HB2 SER 13 25.210 -15.681 4.115 89 2HB SER 13 HB1 SER 13 24.670 -15.044 2.562 90 HG SER 13 HG SER 13 26.716 -14.530 2.389 91 HA PRO 14 HA PRO 14 25.564 -12.118 7.949 92 1HB PRO 14 HB2 PRO 14 27.220 -14.560 8.382 93 2HB PRO 14 HB1 PRO 14 26.266 -13.623 9.539 94 1HG PRO 14 HG2 PRO 14 25.383 -15.974 8.649 95 2HG PRO 14 HG1 PRO 14 24.269 -14.616 8.905 96 1HD PRO 14 HD2 PRO 14 25.369 -15.713 6.355 97 2HD PRO 14 HD1 PRO 14 23.762 -15.041 6.697 98 H GLU 15 HN GLU 15 27.557 -14.047 5.761 99 HA GLU 15 HA GLU 15 29.924 -12.491 6.313 100 1HB GLU 15 HB2 GLU 15 29.286 -15.003 5.004 101 2HB GLU 15 HB1 GLU 15 30.423 -14.045 4.063 102 1HG GLU 15 HG2 GLU 15 30.853 -14.506 6.987 103 2HG GLU 15 HG1 GLU 15 31.342 -15.706 5.790 104 H GLU 16 HN GLU 16 27.570 -12.794 3.702 105 HA GLU 16 HA GLU 16 28.978 -11.148 1.864 106 1HB GLU 16 HB2 GLU 16 26.420 -12.549 1.949 107 2HB GLU 16 HB1 GLU 16 26.310 -10.997 1.132 108 1HG GLU 16 HG2 GLU 16 26.776 -12.601 -0.530 109 2HG GLU 16 HG1 GLU 16 28.275 -11.712 -0.260 110 H LEU 17 HN LEU 17 26.400 -10.594 4.224 111 HA LEU 17 HA LEU 17 25.992 -7.859 3.644 112 1HB LEU 17 HB2 LEU 17 24.910 -9.702 5.406 113 2HB LEU 17 HB1 LEU 17 25.713 -8.553 6.463 114 HG LEU 17 HG LEU 17 24.447 -6.732 5.220 115 1HD1 LEU 17 HD11 LEU 17 22.444 -7.360 4.038 116 2HD1 LEU 17 HD12 LEU 17 22.771 -9.071 4.320 117 3HD1 LEU 17 HD13 LEU 17 23.836 -8.129 3.275 118 1HD2 LEU 17 HD21 LEU 17 22.209 -7.846 6.389 119 2HD2 LEU 17 HD22 LEU 17 23.415 -6.839 7.186 120 3HD2 LEU 17 HD23 LEU 17 23.551 -8.596 7.253 121 H ASN 18 HN ASN 18 28.175 -9.570 5.832 122 HA ASN 18 HA ASN 18 29.415 -7.301 6.954 123 1HB ASN 18 HB2 ASN 18 29.887 -9.248 8.132 124 2HB ASN 18 HB1 ASN 18 30.150 -10.193 6.674 125 1HD2 ASN 18 HD21 ASN 18 32.166 -10.850 6.510 126 2HD2 ASN 18 HD22 ASN 18 33.567 -9.948 6.979 127 H ARG 19 HN ARG 19 30.088 -9.214 4.061 128 HA ARG 19 HA ARG 19 32.497 -7.974 3.319 129 1HB ARG 19 HB2 ARG 19 30.381 -9.504 1.908 130 2HB ARG 19 HB1 ARG 19 31.509 -8.587 0.917 131 1HG ARG 19 HG2 ARG 19 33.376 -9.734 2.099 132 2HG ARG 19 HG1 ARG 19 32.178 -10.748 2.903 133 1HD ARG 19 HD2 ARG 19 31.849 -10.635 0.007 134 2HD ARG 19 HD1 ARG 19 33.409 -11.285 0.502 135 HE ARG 19 HE ARG 19 30.944 -12.629 0.593 136 1HH1 ARG 19 HH11 ARG 19 33.794 -12.162 2.589 137 2HH1 ARG 19 HH12 ARG 19 33.624 -13.689 3.398 138 1HH2 ARG 19 HH21 ARG 19 30.758 -14.629 1.612 139 2HH2 ARG 19 HH22 ARG 19 31.927 -15.106 2.810 140 H TYR 20 HN TYR 20 29.206 -7.268 2.175 141 HA TYR 20 HA TYR 20 29.916 -4.950 0.725 142 1HB TYR 20 HB2 TYR 20 27.817 -5.319 0.020 143 2HB TYR 20 HB1 TYR 20 27.519 -6.414 1.361 144 HD1 TYR 20 HD1 TYR 20 26.976 -3.082 0.030 145 HD2 TYR 20 HD2 TYR 20 26.509 -5.564 3.455 146 HE1 TYR 20 HE1 TYR 20 25.362 -1.478 0.956 147 HE2 TYR 20 HE2 TYR 20 24.888 -3.963 4.401 148 HH TYR 20 HH TYR 20 23.350 -2.202 3.597 149 H TYR 21 HN TYR 21 29.105 -5.545 4.044 150 HA TYR 21 HA TYR 21 28.535 -2.995 4.986 151 1HB TYR 21 HB2 TYR 21 28.650 -5.428 6.093 152 2HB TYR 21 HB1 TYR 21 30.178 -4.791 6.685 153 HD1 TYR 21 HD1 TYR 21 26.529 -4.241 6.650 154 HD2 TYR 21 HD2 TYR 21 30.248 -3.241 8.440 155 HE1 TYR 21 HE1 TYR 21 25.334 -3.123 8.478 156 HE2 TYR 21 HE2 TYR 21 29.084 -2.112 10.267 157 HH TYR 21 HH TYR 21 25.798 -1.324 10.167 158 H ALA 22 HN ALA 22 31.661 -4.694 5.162 159 HA ALA 22 HA ALA 22 33.022 -2.365 6.067 160 1HB ALA 22 HB1 ALA 22 34.025 -5.019 5.076 161 2HB ALA 22 HB2 ALA 22 33.840 -4.477 6.747 162 3HB ALA 22 HB3 ALA 22 35.071 -3.750 5.711 163 H SER 23 HN SER 23 32.376 -3.729 2.919 164 HA SER 23 HA SER 23 34.173 -2.139 1.434 165 1HB SER 23 HB2 SER 23 31.425 -3.148 0.651 166 2HB SER 23 HB1 SER 23 32.633 -2.511 -0.464 167 HG SER 23 HG SER 23 32.884 -4.828 1.172 168 H LEU 24 HN LEU 24 30.840 -1.590 2.489 169 HA LEU 24 HA LEU 24 30.522 1.016 1.487 170 1HB LEU 24 HB2 LEU 24 28.762 -0.635 2.385 171 2HB LEU 24 HB1 LEU 24 29.220 -0.058 3.978 172 HG LEU 24 HG LEU 24 28.688 2.300 2.931 173 1HD1 LEU 24 HD11 LEU 24 27.921 2.198 0.846 174 2HD1 LEU 24 HD12 LEU 24 26.459 1.474 1.515 175 3HD1 LEU 24 HD13 LEU 24 27.757 0.443 0.914 176 1HD2 LEU 24 HD21 LEU 24 27.365 1.899 4.710 177 2HD2 LEU 24 HD22 LEU 24 27.018 0.241 4.217 178 3HD2 LEU 24 HD23 LEU 24 26.148 1.585 3.476 179 H ARG 25 HN ARG 25 31.762 -0.289 4.500 180 HA ARG 25 HA ARG 25 31.997 2.030 5.995 181 1HB ARG 25 HB2 ARG 25 33.563 -0.520 5.895 182 2HB ARG 25 HB1 ARG 25 34.107 0.795 6.926 183 1HG ARG 25 HG2 ARG 25 31.452 -0.616 7.063 184 2HG ARG 25 HG1 ARG 25 32.786 -0.746 8.211 185 1HD ARG 25 HD2 ARG 25 31.031 1.631 7.663 186 2HD ARG 25 HD1 ARG 25 31.203 0.732 9.169 187 HE ARG 25 HE ARG 25 33.709 1.774 8.478 188 1HH1 ARG 25 HH11 ARG 25 30.568 2.890 9.552 189 2HH1 ARG 25 HH12 ARG 25 31.202 4.332 10.295 190 1HH2 ARG 25 HH21 ARG 25 34.535 3.667 9.426 191 2HH2 ARG 25 HH22 ARG 25 33.452 4.764 10.224 192 H HIS 26 HN HIS 26 34.505 0.549 3.931 193 HA HIS 26 HA HIS 26 36.243 2.790 4.164 194 1HB HIS 26 HB2 HIS 26 36.831 0.339 3.586 195 2HB HIS 26 HB1 HIS 26 36.403 0.781 1.937 196 HD1 HIS 26 HD1 HIS 26 37.848 3.758 3.147 197 HD2 HIS 26 HD2 HIS 26 39.398 0.047 2.068 198 HE1 HIS 26 HE1 HIS 26 40.279 4.154 2.646 199 HE2 HIS 26 HE2 HIS 26 41.228 1.873 2.137 200 H TYR 27 HN TYR 27 33.941 1.731 1.688 201 HA TYR 27 HA TYR 27 34.625 3.628 -0.266 202 1HB TYR 27 HB2 TYR 27 32.985 1.539 -0.300 203 2HB TYR 27 HB1 TYR 27 31.779 2.778 0.032 204 HD1 TYR 27 HD1 TYR 27 31.139 4.362 -1.649 205 HD2 TYR 27 HD2 TYR 27 34.252 1.567 -2.415 206 HE1 TYR 27 HE1 TYR 27 31.035 4.915 -4.039 207 HE2 TYR 27 HE2 TYR 27 34.159 2.114 -4.808 208 HH TYR 27 HH TYR 27 32.378 3.036 -6.415 209 H LEU 28 HN LEU 28 32.108 3.711 2.257 210 HA LEU 28 HA LEU 28 31.342 6.388 1.524 211 1HB LEU 28 HB2 LEU 28 30.569 4.621 3.831 212 2HB LEU 28 HB1 LEU 28 29.959 6.254 3.639 213 HG LEU 28 HG LEU 28 29.291 3.788 2.107 214 1HD1 LEU 28 HD11 LEU 28 27.096 5.277 2.084 215 2HD1 LEU 28 HD12 LEU 28 27.908 6.044 3.449 216 3HD1 LEU 28 HD13 LEU 28 27.561 4.315 3.487 217 1HD2 LEU 28 HD21 LEU 28 29.706 4.779 0.131 218 2HD2 LEU 28 HD22 LEU 28 29.861 6.380 0.856 219 3HD2 LEU 28 HD23 LEU 28 28.263 5.731 0.486 220 H ASN 29 HN ASN 29 33.698 5.056 3.687 221 HA ASN 29 HA ASN 29 33.967 7.403 5.292 222 1HB ASN 29 HB2 ASN 29 35.345 6.105 6.487 223 2HB ASN 29 HB1 ASN 29 35.077 4.824 5.318 224 1HD2 ASN 29 HD21 ASN 29 37.289 7.168 6.526 225 2HD2 ASN 29 HD22 ASN 29 38.647 6.685 5.573 226 H LEU 30 HN LEU 30 35.354 6.303 2.264 227 HA LEU 30 HA LEU 30 37.109 8.608 2.090 228 1HB LEU 30 HB2 LEU 30 36.806 6.061 0.707 229 2HB LEU 30 HB1 LEU 30 37.081 7.392 -0.399 230 HG LEU 30 HG LEU 30 38.884 6.380 1.782 231 1HD1 LEU 30 HD11 LEU 30 40.242 5.720 0.112 232 2HD1 LEU 30 HD12 LEU 30 39.862 7.118 -0.894 233 3HD1 LEU 30 HD13 LEU 30 38.753 5.747 -0.831 234 1HD2 LEU 30 HD21 LEU 30 38.917 8.732 2.141 235 2HD2 LEU 30 HD22 LEU 30 38.960 9.061 0.409 236 3HD2 LEU 30 HD23 LEU 30 40.359 8.339 1.205 237 H VAL 31 HN VAL 31 33.903 7.832 1.304 238 HA VAL 31 HA VAL 31 33.613 9.540 -0.966 239 HB VAL 31 HB VAL 31 32.111 7.517 -0.057 240 1HG1 VAL 31 HG11 VAL 31 29.876 8.932 0.504 241 2HG1 VAL 31 HG12 VAL 31 31.095 9.894 1.338 242 3HG1 VAL 31 HG13 VAL 31 30.909 8.183 1.723 243 1HG2 VAL 31 HG21 VAL 31 31.952 8.384 -2.276 244 2HG2 VAL 31 HG22 VAL 31 31.193 9.867 -1.697 245 3HG2 VAL 31 HG23 VAL 31 30.326 8.335 -1.593 246 H THR 32 HN THR 32 34.332 10.333 2.072 247 HA THR 32 HA THR 32 32.591 12.404 2.801 248 HB THR 32 HB THR 32 34.926 13.308 3.787 249 HG1 THR 32 HG1 THR 32 35.575 10.636 3.988 250 1HG2 THR 32 HG21 THR 32 34.508 11.911 5.763 251 2HG2 THR 32 HG22 THR 32 33.429 10.890 4.810 252 3HG2 THR 32 HG23 THR 32 33.006 12.575 5.114 253 H ARG 33 HN ARG 33 34.976 12.171 0.348 254 HA ARG 33 HA ARG 33 35.413 14.963 -0.085 255 1HB ARG 33 HB2 ARG 33 36.832 12.887 -0.814 256 2HB ARG 33 HB1 ARG 33 35.748 12.861 -2.199 257 1HG ARG 33 HG2 ARG 33 36.922 14.447 -3.191 258 2HG ARG 33 HG1 ARG 33 36.714 15.519 -1.805 259 1HD ARG 33 HD2 ARG 33 38.590 13.751 -0.898 260 2HD ARG 33 HD1 ARG 33 39.011 13.892 -2.605 261 HE ARG 33 HE ARG 33 39.428 16.187 -2.303 262 1HH1 ARG 33 HH11 ARG 33 38.618 14.536 0.682 263 2HH1 ARG 33 HH12 ARG 33 39.210 15.816 1.696 264 1HH2 ARG 33 HH21 ARG 33 40.186 17.866 -0.969 265 2HH2 ARG 33 HH22 ARG 33 40.076 17.710 0.759 266 H GLN 34 HN GLN 34 32.747 13.047 -0.519 267 HA GLN 34 HA GLN 34 30.759 13.280 -1.568 268 1HB GLN 34 HB2 GLN 34 31.914 16.000 -2.110 269 2HB GLN 34 HB1 GLN 34 30.376 15.518 -2.817 270 1HG GLN 34 HG2 GLN 34 30.733 15.131 0.100 271 2HG GLN 34 HG1 GLN 34 30.543 16.779 -0.496 272 1HE2 GLN 34 HE21 GLN 34 28.569 17.500 -0.887 273 2HE2 GLN 34 HE22 GLN 34 27.133 16.533 -0.918 274 H ARG 35 HN ARG 35 33.282 12.319 -2.860 275 HA ARG 35 HA ARG 35 32.255 12.240 -5.604 276 1HB ARG 35 HB2 ARG 35 34.972 13.064 -4.682 277 2HB ARG 35 HB1 ARG 35 34.856 12.110 -6.154 278 1HG ARG 35 HG2 ARG 35 33.446 14.724 -5.654 279 2HG ARG 35 HG1 ARG 35 34.913 14.514 -6.610 280 1HD ARG 35 HD2 ARG 35 33.785 13.271 -8.260 281 2HD ARG 35 HD1 ARG 35 32.379 13.030 -7.227 282 HE ARG 35 HE ARG 35 33.099 15.495 -8.651 283 1HH1 ARG 35 HH11 ARG 35 30.840 13.710 -6.657 284 2HH1 ARG 35 HH12 ARG 35 29.495 14.742 -7.016 285 1HH2 ARG 35 HH21 ARG 35 31.337 16.899 -9.088 286 2HH2 ARG 35 HH22 ARG 35 29.786 16.588 -8.353 287 H TYR 36 HN TYR 36 33.226 10.381 -6.826 288 HA TYR 36 HA TYR 36 33.031 8.042 -5.144 289 1HB TYR 36 HB2 TYR 36 32.919 8.595 -8.064 290 2HB TYR 36 HB1 TYR 36 33.429 6.984 -7.568 291 HD1 TYR 36 HD1 TYR 36 31.716 5.474 -7.794 292 HD2 TYR 36 HD2 TYR 36 30.816 9.366 -6.322 293 HE1 TYR 36 HE1 TYR 36 29.369 4.814 -7.498 294 HE2 TYR 36 HE2 TYR 36 28.465 8.714 -6.022 295 HH TYR 36 HH TYR 36 26.901 7.137 -6.628 296 1HN NH2 37 H1 NH2 37 36.302 6.775 -5.249 297 2HN NH2 37 H2 NH2 37 34.646 6.474 -4.867 Start of MODEL 12 1 1H TYR 1 HT1 TYR 1 34.540 5.915 -9.928 2 2H TYR 1 HT2 TYR 1 35.261 6.229 -11.424 3 3H TYR 1 HT3 TYR 1 35.176 7.453 -10.255 4 HA TYR 1 HA TYR 1 37.034 5.282 -10.559 5 1HB TYR 1 HB2 TYR 1 37.091 8.077 -10.111 6 2HB TYR 1 HB1 TYR 1 37.882 7.314 -8.731 7 HD1 TYR 1 HD1 TYR 1 39.687 5.552 -9.255 8 HD2 TYR 1 HD2 TYR 1 38.262 8.369 -12.105 9 HE1 TYR 1 HE1 TYR 1 41.714 5.208 -10.597 10 HE2 TYR 1 HE2 TYR 1 40.287 8.031 -13.458 11 HH TYR 1 HH TYR 1 42.013 6.313 -13.799 12 HA PRO 2 HA PRO 2 36.267 4.891 -5.766 13 1HB PRO 2 HB2 PRO 2 33.754 5.677 -4.991 14 2HB PRO 2 HB1 PRO 2 35.200 6.669 -4.779 15 1HG PRO 2 HG2 PRO 2 33.115 6.786 -6.922 16 2HG PRO 2 HG1 PRO 2 33.904 8.117 -6.054 17 1HD PRO 2 HD2 PRO 2 34.649 7.428 -8.535 18 2HD PRO 2 HD1 PRO 2 35.834 7.968 -7.328 19 H ILE 3 HN ILE 3 34.868 3.207 -4.748 20 HA ILE 3 HA ILE 3 33.782 1.570 -6.882 21 HB ILE 3 HB ILE 3 35.598 0.648 -5.510 22 1HG1 ILE 3 HG12 ILE 3 34.363 -1.515 -4.811 23 2HG1 ILE 3 HG11 ILE 3 32.928 -0.735 -5.470 24 1HG2 ILE 3 HG21 ILE 3 34.125 -0.041 -3.143 25 2HG2 ILE 3 HG22 ILE 3 34.220 1.708 -3.342 26 3HG2 ILE 3 HG23 ILE 3 35.696 0.742 -3.312 27 1HD1 ILE 3 HD11 ILE 3 33.636 -1.887 -7.295 28 2HD1 ILE 3 HD12 ILE 3 35.337 -1.765 -6.854 29 3HD1 ILE 3 HD13 ILE 3 34.507 -0.374 -7.547 30 H LYS 4 HN LYS 4 32.550 0.319 -4.119 31 HA LYS 4 HA LYS 4 30.217 1.632 -3.524 32 1HB LYS 4 HB2 LYS 4 30.202 0.892 -6.245 33 2HB LYS 4 HB1 LYS 4 29.182 -0.288 -5.436 34 1HG LYS 4 HG2 LYS 4 27.730 1.411 -4.621 35 2HG LYS 4 HG1 LYS 4 28.841 2.684 -5.133 36 1HD LYS 4 HD2 LYS 4 27.073 2.580 -6.736 37 2HD LYS 4 HD1 LYS 4 28.516 1.901 -7.489 38 1HE LYS 4 HE2 LYS 4 27.141 -0.213 -6.192 39 2HE LYS 4 HE1 LYS 4 25.956 0.704 -7.124 40 1HZ LYS 4 HZ1 LYS 4 27.790 -1.157 -8.073 41 2HZ LYS 4 HZ2 LYS 4 28.287 0.352 -8.666 42 3HZ LYS 4 HZ3 LYS 4 26.718 -0.203 -8.977 43 HA PRO 5 HA PRO 5 29.891 -2.238 -1.279 44 1HB PRO 5 HB2 PRO 5 27.093 -1.719 -0.716 45 2HB PRO 5 HB1 PRO 5 28.471 -1.639 0.383 46 1HG PRO 5 HG2 PRO 5 27.069 0.555 -0.422 47 2HG PRO 5 HG1 PRO 5 28.777 0.601 0.046 48 1HD PRO 5 HD2 PRO 5 27.560 0.565 -2.689 49 2HD PRO 5 HD1 PRO 5 28.953 1.489 -2.084 50 H GLU 6 HN GLU 6 28.985 -4.315 -1.518 51 HA GLU 6 HA GLU 6 28.072 -5.030 -4.055 52 1HB GLU 6 HB2 GLU 6 28.136 -6.424 -1.405 53 2HB GLU 6 HB1 GLU 6 27.331 -7.181 -2.773 54 1HG GLU 6 HG2 GLU 6 29.337 -8.049 -3.194 55 2HG GLU 6 HG1 GLU 6 29.695 -6.466 -3.884 56 H ALA 7 HN ALA 7 26.315 -4.255 -1.126 57 HA ALA 7 HA ALA 7 24.108 -4.141 -0.587 58 1HB ALA 7 HB1 ALA 7 23.912 -2.224 -1.843 59 2HB ALA 7 HB2 ALA 7 22.674 -3.242 -2.577 60 3HB ALA 7 HB3 ALA 7 24.243 -3.052 -3.364 61 HA PRO 8 HA PRO 8 23.525 -8.307 -2.624 62 1HB PRO 8 HB2 PRO 8 23.137 -9.248 0.130 63 2HB PRO 8 HB1 PRO 8 24.257 -9.824 -1.106 64 1HG PRO 8 HG2 PRO 8 25.115 -8.463 1.037 65 2HG PRO 8 HG1 PRO 8 25.875 -8.276 -0.556 66 1HD PRO 8 HD2 PRO 8 23.882 -6.497 0.811 67 2HD PRO 8 HD1 PRO 8 25.352 -6.057 -0.087 68 H GLY 9 HN GLY 9 21.638 -6.698 -0.114 69 1HA GLY 9 HA2 GLY 9 19.210 -6.780 -1.299 70 2HA GLY 9 HA1 GLY 9 19.329 -8.362 -0.539 71 H GLU 10 HN GLU 10 17.895 -8.170 1.093 72 HA GLU 10 HA GLU 10 18.231 -5.877 2.899 73 1HB GLU 10 HB2 GLU 10 15.970 -6.511 1.691 74 2HB GLU 10 HB1 GLU 10 15.839 -7.670 3.004 75 1HG GLU 10 HG2 GLU 10 16.355 -5.555 4.477 76 2HG GLU 10 HG1 GLU 10 15.720 -4.706 3.067 77 H ASP 11 HN ASP 11 18.767 -9.178 2.575 78 HA ASP 11 HA ASP 11 19.268 -9.416 5.458 79 1HB ASP 11 HB2 ASP 11 17.176 -10.549 5.177 80 2HB ASP 11 HB1 ASP 11 17.751 -11.380 3.735 81 H ALA 12 HN ALA 12 19.540 -11.337 2.482 82 HA ALA 12 HA ALA 12 21.268 -12.377 1.462 83 1HB ALA 12 HB1 ALA 12 23.175 -10.576 2.917 84 2HB ALA 12 HB2 ALA 12 22.136 -9.968 1.625 85 3HB ALA 12 HB3 ALA 12 23.303 -11.250 1.293 86 H SER 13 HN SER 13 23.679 -11.748 3.771 87 HA SER 13 HA SER 13 23.297 -14.010 5.457 88 1HB SER 13 HB2 SER 13 25.166 -15.370 4.571 89 2HB SER 13 HB1 SER 13 23.891 -15.191 3.363 90 HG SER 13 HG SER 13 25.229 -14.143 2.114 91 HA PRO 14 HA PRO 14 26.317 -11.880 7.945 92 1HB PRO 14 HB2 PRO 14 28.110 -14.005 8.427 93 2HB PRO 14 HB1 PRO 14 26.766 -13.500 9.452 94 1HG PRO 14 HG2 PRO 14 26.919 -15.713 7.482 95 2HG PRO 14 HG1 PRO 14 25.964 -15.592 8.971 96 1HD PRO 14 HD2 PRO 14 24.846 -15.355 6.534 97 2HD PRO 14 HD1 PRO 14 24.259 -14.430 7.932 98 H GLU 15 HN GLU 15 27.724 -14.129 5.546 99 HA GLU 15 HA GLU 15 30.226 -12.805 5.370 100 1HB GLU 15 HB2 GLU 15 28.907 -15.034 4.102 101 2HB GLU 15 HB1 GLU 15 29.724 -14.052 2.893 102 1HG GLU 15 HG2 GLU 15 31.451 -14.423 5.143 103 2HG GLU 15 HG1 GLU 15 30.835 -15.984 4.606 104 H GLU 16 HN GLU 16 27.263 -12.555 3.466 105 HA GLU 16 HA GLU 16 28.345 -10.776 1.520 106 1HB GLU 16 HB2 GLU 16 25.708 -11.985 2.116 107 2HB GLU 16 HB1 GLU 16 25.673 -10.447 1.266 108 1HG GLU 16 HG2 GLU 16 26.740 -11.303 -0.598 109 2HG GLU 16 HG1 GLU 16 27.418 -12.665 0.295 110 H LEU 17 HN LEU 17 26.314 -10.439 4.395 111 HA LEU 17 HA LEU 17 25.885 -7.655 4.141 112 1HB LEU 17 HB2 LEU 17 24.780 -9.453 5.723 113 2HB LEU 17 HB1 LEU 17 26.046 -8.946 6.829 114 HG LEU 17 HG LEU 17 24.833 -6.592 5.825 115 1HD1 LEU 17 HD11 LEU 17 22.574 -6.839 6.033 116 2HD1 LEU 17 HD12 LEU 17 22.713 -8.212 7.134 117 3HD1 LEU 17 HD13 LEU 17 22.986 -8.434 5.405 118 1HD2 LEU 17 HD21 LEU 17 24.164 -6.364 8.225 119 2HD2 LEU 17 HD22 LEU 17 25.875 -6.703 7.966 120 3HD2 LEU 17 HD23 LEU 17 24.791 -7.990 8.493 121 H ASN 18 HN ASN 18 28.350 -9.586 5.796 122 HA ASN 18 HA ASN 18 29.803 -7.452 6.906 123 1HB ASN 18 HB2 ASN 18 30.793 -9.281 7.767 124 2HB ASN 18 HB1 ASN 18 30.201 -10.300 6.462 125 1HD2 ASN 18 HD21 ASN 18 31.511 -10.697 4.686 126 2HD2 ASN 18 HD22 ASN 18 33.201 -10.315 4.672 127 H ARG 19 HN ARG 19 29.845 -8.915 3.684 128 HA ARG 19 HA ARG 19 32.171 -7.536 2.805 129 1HB ARG 19 HB2 ARG 19 29.956 -8.995 1.436 130 2HB ARG 19 HB1 ARG 19 31.053 -8.006 0.475 131 1HG ARG 19 HG2 ARG 19 32.834 -9.354 1.951 132 2HG ARG 19 HG1 ARG 19 31.530 -10.539 1.892 133 1HD ARG 19 HD2 ARG 19 31.965 -9.391 -0.708 134 2HD ARG 19 HD1 ARG 19 33.473 -10.035 -0.059 135 HE ARG 19 HE ARG 19 31.428 -11.545 -1.163 136 1HH1 ARG 19 HH11 ARG 19 33.408 -11.574 1.747 137 2HH1 ARG 19 HH12 ARG 19 33.153 -13.267 2.053 138 1HH2 ARG 19 HH21 ARG 19 31.142 -13.777 -0.775 139 2HH2 ARG 19 HH22 ARG 19 31.862 -14.507 0.635 140 H TYR 20 HN TYR 20 28.720 -6.886 2.186 141 HA TYR 20 HA TYR 20 29.166 -4.437 0.864 142 1HB TYR 20 HB2 TYR 20 26.982 -4.687 0.450 143 2HB TYR 20 HB1 TYR 20 26.947 -6.061 1.547 144 HD1 TYR 20 HD1 TYR 20 26.263 -5.724 3.917 145 HD2 TYR 20 HD2 TYR 20 26.005 -2.595 1.042 146 HE1 TYR 20 HE1 TYR 20 24.736 -4.494 5.401 147 HE2 TYR 20 HE2 TYR 20 24.476 -1.360 2.519 148 HH TYR 20 HH TYR 20 23.179 -2.780 5.430 149 H TYR 21 HN TYR 21 29.003 -5.333 4.182 150 HA TYR 21 HA TYR 21 28.524 -2.882 5.432 151 1HB TYR 21 HB2 TYR 21 28.936 -5.424 6.269 152 2HB TYR 21 HB1 TYR 21 30.489 -4.709 6.680 153 HD1 TYR 21 HD1 TYR 21 30.716 -3.245 8.501 154 HD2 TYR 21 HD2 TYR 21 26.861 -4.518 7.269 155 HE1 TYR 21 HE1 TYR 21 29.774 -2.347 10.567 156 HE2 TYR 21 HE2 TYR 21 25.888 -3.622 9.330 157 HH TYR 21 HH TYR 21 26.601 -3.054 11.610 158 H ALA 22 HN ALA 22 31.636 -4.492 4.823 159 HA ALA 22 HA ALA 22 33.088 -2.221 5.776 160 1HB ALA 22 HB1 ALA 22 33.962 -4.376 6.233 161 2HB ALA 22 HB2 ALA 22 35.079 -3.569 5.132 162 3HB ALA 22 HB3 ALA 22 33.978 -4.802 4.520 163 H SER 23 HN SER 23 32.089 -3.366 2.616 164 HA SER 23 HA SER 23 33.881 -1.735 1.129 165 1HB SER 23 HB2 SER 23 32.030 -1.969 -0.676 166 2HB SER 23 HB1 SER 23 32.882 -3.422 -0.153 167 HG SER 23 HG SER 23 31.124 -4.144 0.783 168 H LEU 24 HN LEU 24 30.554 -1.277 2.261 169 HA LEU 24 HA LEU 24 30.221 1.354 1.332 170 1HB LEU 24 HB2 LEU 24 28.225 0.350 1.920 171 2HB LEU 24 HB1 LEU 24 28.899 -0.391 3.356 172 HG LEU 24 HG LEU 24 29.005 2.320 3.922 173 1HD1 LEU 24 HD11 LEU 24 27.146 2.009 1.845 174 2HD1 LEU 24 HD12 LEU 24 27.403 3.426 2.870 175 3HD1 LEU 24 HD13 LEU 24 26.210 2.205 3.326 176 1HD2 LEU 24 HD21 LEU 24 28.072 1.523 5.769 177 2HD2 LEU 24 HD22 LEU 24 27.893 -0.033 4.960 178 3HD2 LEU 24 HD23 LEU 24 26.582 1.143 4.906 179 H ARG 25 HN ARG 25 31.469 -0.027 4.324 180 HA ARG 25 HA ARG 25 31.782 2.242 5.867 181 1HB ARG 25 HB2 ARG 25 32.667 -0.429 5.951 182 2HB ARG 25 HB1 ARG 25 34.116 0.556 6.100 183 1HG ARG 25 HG2 ARG 25 33.414 0.179 8.293 184 2HG ARG 25 HG1 ARG 25 32.878 1.819 7.927 185 1HD ARG 25 HD2 ARG 25 30.869 -0.107 7.180 186 2HD ARG 25 HD1 ARG 25 31.325 -0.306 8.872 187 HE ARG 25 HE ARG 25 30.688 2.387 7.912 188 1HH1 ARG 25 HH11 ARG 25 29.796 -0.409 9.821 189 2HH1 ARG 25 HH12 ARG 25 28.531 0.417 10.682 190 1HH2 ARG 25 HH21 ARG 25 29.051 3.485 9.063 191 2HH2 ARG 25 HH22 ARG 25 28.135 2.642 10.273 192 H HIS 26 HN HIS 26 34.103 0.873 3.541 193 HA HIS 26 HA HIS 26 35.916 3.077 3.887 194 1HB HIS 26 HB2 HIS 26 36.225 0.494 3.048 195 2HB HIS 26 HB1 HIS 26 36.298 1.374 1.523 196 HD1 HIS 26 HD1 HIS 26 37.625 3.746 3.717 197 HD2 HIS 26 HD2 HIS 26 39.072 0.136 2.230 198 HE1 HIS 26 HE1 HIS 26 40.127 3.860 3.964 199 HE2 HIS 26 HE2 HIS 26 40.981 1.663 3.073 200 H TYR 27 HN TYR 27 33.628 2.037 1.380 201 HA TYR 27 HA TYR 27 34.329 3.979 -0.531 202 1HB TYR 27 HB2 TYR 27 33.001 2.136 -1.254 203 2HB TYR 27 HB1 TYR 27 31.767 2.461 -0.043 204 HD1 TYR 27 HD1 TYR 27 29.803 2.990 -1.103 205 HD2 TYR 27 HD2 TYR 27 33.422 4.650 -2.597 206 HE1 TYR 27 HE1 TYR 27 28.523 4.287 -2.746 207 HE2 TYR 27 HE2 TYR 27 32.149 5.956 -4.243 208 HH TYR 27 HH TYR 27 28.649 6.083 -4.179 209 H LEU 28 HN LEU 28 31.967 4.010 2.120 210 HA LEU 28 HA LEU 28 31.026 6.630 1.614 211 1HB LEU 28 HB2 LEU 28 30.882 4.704 3.806 212 2HB LEU 28 HB1 LEU 28 30.901 6.367 4.357 213 HG LEU 28 HG LEU 28 28.912 6.875 3.136 214 1HD1 LEU 28 HD11 LEU 28 29.453 4.281 1.792 215 2HD1 LEU 28 HD12 LEU 28 28.995 5.837 1.099 216 3HD1 LEU 28 HD13 LEU 28 27.791 4.852 1.930 217 1HD2 LEU 28 HD21 LEU 28 28.904 4.415 4.806 218 2HD2 LEU 28 HD22 LEU 28 27.409 4.923 4.023 219 3HD2 LEU 28 HD23 LEU 28 28.229 6.010 5.144 220 H ASN 29 HN ASN 29 33.534 5.498 3.895 221 HA ASN 29 HA ASN 29 34.078 8.155 4.783 222 1HB ASN 29 HB2 ASN 29 35.195 7.152 6.458 223 2HB ASN 29 HB1 ASN 29 34.474 5.677 5.835 224 1HD2 ASN 29 HD21 ASN 29 37.292 7.210 6.681 225 2HD2 ASN 29 HD22 ASN 29 38.424 6.113 5.951 226 H LEU 30 HN LEU 30 35.009 6.601 1.980 227 HA LEU 30 HA LEU 30 37.711 7.187 1.789 228 1HB LEU 30 HB2 LEU 30 37.486 6.024 -0.084 229 2HB LEU 30 HB1 LEU 30 35.751 6.056 0.141 230 HG LEU 30 HG LEU 30 36.730 8.504 -1.094 231 1HD1 LEU 30 HD11 LEU 30 36.864 6.291 -3.019 232 2HD1 LEU 30 HD12 LEU 30 38.211 6.387 -1.886 233 3HD1 LEU 30 HD13 LEU 30 37.821 7.767 -2.912 234 1HD2 LEU 30 HD21 LEU 30 34.366 7.729 -0.959 235 2HD2 LEU 30 HD22 LEU 30 34.781 6.420 -2.071 236 3HD2 LEU 30 HD23 LEU 30 34.907 8.099 -2.601 237 H VAL 31 HN VAL 31 34.991 9.153 0.642 238 HA VAL 31 HA VAL 31 36.893 11.392 0.395 239 HB VAL 31 HB VAL 31 35.008 12.499 -0.920 240 1HG1 VAL 31 HG11 VAL 31 37.029 10.739 -1.712 241 2HG1 VAL 31 HG12 VAL 31 36.208 11.944 -2.704 242 3HG1 VAL 31 HG13 VAL 31 35.610 10.285 -2.656 243 1HG2 VAL 31 HG21 VAL 31 33.898 9.923 -1.735 244 2HG2 VAL 31 HG22 VAL 31 33.083 11.445 -1.369 245 3HG2 VAL 31 HG23 VAL 31 33.529 10.346 -0.062 246 H THR 32 HN THR 32 35.940 10.481 2.880 247 HA THR 32 HA THR 32 34.682 10.884 4.724 248 HB THR 32 HB THR 32 34.434 13.161 5.454 249 HG1 THR 32 HG1 THR 32 34.663 13.767 2.703 250 1HG2 THR 32 HG21 THR 32 36.945 12.711 3.860 251 2HG2 THR 32 HG22 THR 32 36.683 12.429 5.582 252 3HG2 THR 32 HG23 THR 32 36.726 14.077 4.957 253 H ARG 33 HN ARG 33 33.368 10.211 2.217 254 HA ARG 33 HA ARG 33 31.444 10.413 0.980 255 1HB ARG 33 HB2 ARG 33 30.919 9.185 3.236 256 2HB ARG 33 HB1 ARG 33 29.942 10.613 3.560 257 1HG ARG 33 HG2 ARG 33 29.431 9.603 0.912 258 2HG ARG 33 HG1 ARG 33 29.208 8.342 2.124 259 1HD ARG 33 HD2 ARG 33 27.436 9.389 3.086 260 2HD ARG 33 HD1 ARG 33 28.058 11.001 2.731 261 HE ARG 33 HE ARG 33 26.480 9.296 0.948 262 1HH1 ARG 33 HH11 ARG 33 28.181 12.317 1.475 263 2HH1 ARG 33 HH12 ARG 33 27.415 13.122 0.139 264 1HH2 ARG 33 HH21 ARG 33 25.471 10.349 -0.802 265 2HH2 ARG 33 HH22 ARG 33 25.867 12.015 -1.153 266 H GLN 34 HN GLN 34 32.483 12.748 0.790 267 HA GLN 34 HA GLN 34 32.017 15.127 1.424 268 1HB GLN 34 HB2 GLN 34 32.292 14.062 -1.033 269 2HB GLN 34 HB1 GLN 34 30.700 14.789 -1.196 270 1HG GLN 34 HG2 GLN 34 31.513 16.879 -1.192 271 2HG GLN 34 HG1 GLN 34 32.724 16.515 0.037 272 1HE2 GLN 34 HE21 GLN 34 32.159 17.081 -3.236 273 2HE2 GLN 34 HE22 GLN 34 33.721 16.631 -3.843 274 H ARG 35 HN ARG 35 30.535 15.821 2.842 275 HA ARG 35 HA ARG 35 27.742 15.894 1.937 276 1HB ARG 35 HB2 ARG 35 27.166 15.430 4.424 277 2HB ARG 35 HB1 ARG 35 27.583 14.084 3.374 278 1HG ARG 35 HG2 ARG 35 29.522 13.651 4.461 279 2HG ARG 35 HG1 ARG 35 29.797 15.344 4.875 280 1HD ARG 35 HD2 ARG 35 27.452 14.543 6.216 281 2HD ARG 35 HD1 ARG 35 28.647 13.267 6.461 282 HE ARG 35 HE ARG 35 30.083 14.834 7.501 283 1HH1 ARG 35 HH11 ARG 35 26.918 16.125 6.713 284 2HH1 ARG 35 HH12 ARG 35 27.098 17.524 7.725 285 1HH2 ARG 35 HH21 ARG 35 30.296 16.653 8.884 286 2HH2 ARG 35 HH22 ARG 35 29.012 17.831 8.962 287 H TYR 36 HN TYR 36 26.443 17.238 3.664 288 HA TYR 36 HA TYR 36 27.556 19.875 3.588 289 1HB TYR 36 HB2 TYR 36 24.968 18.652 4.413 290 2HB TYR 36 HB1 TYR 36 25.351 20.255 5.028 291 HD1 TYR 36 HD1 TYR 36 25.962 22.058 3.284 292 HD2 TYR 36 HD2 TYR 36 24.026 18.399 2.298 293 HE1 TYR 36 HE1 TYR 36 25.149 23.057 1.187 294 HE2 TYR 36 HE2 TYR 36 23.209 19.388 0.199 295 HH TYR 36 HH TYR 36 24.248 21.556 -1.339 296 1HN NH2 37 H1 NH2 37 29.247 19.489 6.718 297 2HN NH2 37 H2 NH2 37 29.457 19.338 5.009 Start of MODEL 13 1 1H TYR 1 HT1 TYR 1 33.513 -4.165 -5.423 2 2H TYR 1 HT2 TYR 1 34.761 -4.236 -6.572 3 3H TYR 1 HT3 TYR 1 33.146 -4.164 -7.079 4 HA TYR 1 HA TYR 1 34.816 -2.051 -5.908 5 1HB TYR 1 HB2 TYR 1 33.700 -2.671 -8.489 6 2HB TYR 1 HB1 TYR 1 33.067 -1.129 -7.930 7 HD1 TYR 1 HD1 TYR 1 35.183 0.221 -6.629 8 HD2 TYR 1 HD2 TYR 1 35.411 -2.391 -9.978 9 HE1 TYR 1 HE1 TYR 1 37.264 1.323 -7.339 10 HE2 TYR 1 HE2 TYR 1 37.492 -1.300 -10.697 11 HH TYR 1 HH TYR 1 38.649 1.623 -9.212 12 HA PRO 2 HA PRO 2 31.157 -1.036 -3.473 13 1HB PRO 2 HB2 PRO 2 32.335 0.978 -2.081 14 2HB PRO 2 HB1 PRO 2 32.554 -0.726 -1.670 15 1HG PRO 2 HG2 PRO 2 34.362 1.105 -3.196 16 2HG PRO 2 HG1 PRO 2 34.774 -0.111 -1.973 17 1HD PRO 2 HD2 PRO 2 35.049 -0.545 -4.640 18 2HD PRO 2 HD1 PRO 2 34.695 -1.841 -3.485 19 H ILE 3 HN ILE 3 30.023 -0.263 -5.278 20 HA ILE 3 HA ILE 3 30.627 2.351 -6.371 21 HB ILE 3 HB ILE 3 30.015 0.773 -7.997 22 1HG1 ILE 3 HG12 ILE 3 27.546 1.551 -8.612 23 2HG1 ILE 3 HG11 ILE 3 27.865 2.742 -7.354 24 1HG2 ILE 3 HG21 ILE 3 27.372 -0.004 -7.146 25 2HG2 ILE 3 HG22 ILE 3 28.586 -0.399 -5.923 26 3HG2 ILE 3 HG23 ILE 3 28.759 -1.007 -7.575 27 1HD1 ILE 3 HD11 ILE 3 28.563 3.874 -9.210 28 2HD1 ILE 3 HD12 ILE 3 29.129 2.416 -10.022 29 3HD1 ILE 3 HD13 ILE 3 30.074 3.117 -8.710 30 H LYS 4 HN LYS 4 27.859 0.802 -4.785 31 HA LYS 4 HA LYS 4 27.128 2.778 -3.034 32 1HB LYS 4 HB2 LYS 4 26.786 3.992 -5.339 33 2HB LYS 4 HB1 LYS 4 25.307 3.044 -5.407 34 1HG LYS 4 HG2 LYS 4 24.836 4.008 -3.064 35 2HG LYS 4 HG1 LYS 4 26.074 5.197 -3.476 36 1HD LYS 4 HD2 LYS 4 23.790 5.981 -3.999 37 2HD LYS 4 HD1 LYS 4 24.818 5.881 -5.429 38 1HE LYS 4 HE2 LYS 4 23.802 3.539 -5.734 39 2HE LYS 4 HE1 LYS 4 22.579 4.073 -4.585 40 1HZ LYS 4 HZ1 LYS 4 21.534 5.065 -6.237 41 2HZ LYS 4 HZ2 LYS 4 22.749 4.617 -7.336 42 3HZ LYS 4 HZ3 LYS 4 22.869 6.083 -6.493 43 HA PRO 5 HA PRO 5 24.652 -1.156 -3.283 44 1HB PRO 5 HB2 PRO 5 25.927 -2.239 -0.991 45 2HB PRO 5 HB1 PRO 5 26.142 -2.734 -2.667 46 1HG PRO 5 HG2 PRO 5 28.080 -1.527 -1.075 47 2HG PRO 5 HG1 PRO 5 28.121 -1.635 -2.842 48 1HD PRO 5 HD2 PRO 5 27.311 0.643 -1.095 49 2HD PRO 5 HD1 PRO 5 28.152 0.664 -2.661 50 H GLU 6 HN GLU 6 22.686 -0.862 -2.484 51 HA GLU 6 HA GLU 6 22.191 0.575 -0.054 52 1HB GLU 6 HB2 GLU 6 20.090 -1.122 -1.351 53 2HB GLU 6 HB1 GLU 6 19.936 0.459 -0.602 54 1HG GLU 6 HG2 GLU 6 20.220 1.507 -2.535 55 2HG GLU 6 HG1 GLU 6 21.635 0.535 -2.942 56 H ALA 7 HN ALA 7 21.243 -2.705 -1.030 57 HA ALA 7 HA ALA 7 22.349 -3.961 1.272 58 1HB ALA 7 HB1 ALA 7 19.996 -2.751 1.873 59 2HB ALA 7 HB2 ALA 7 20.579 -4.217 2.660 60 3HB ALA 7 HB3 ALA 7 19.424 -4.331 1.335 61 HA PRO 8 HA PRO 8 21.761 -7.224 -1.728 62 1HB PRO 8 HB2 PRO 8 22.928 -9.227 -0.350 63 2HB PRO 8 HB1 PRO 8 23.867 -7.932 -1.101 64 1HG PRO 8 HG2 PRO 8 23.099 -8.301 1.761 65 2HG PRO 8 HG1 PRO 8 24.616 -7.691 1.075 66 1HD PRO 8 HD2 PRO 8 22.606 -6.104 2.103 67 2HD PRO 8 HD1 PRO 8 23.822 -5.561 0.934 68 H GLY 9 HN GLY 9 19.963 -8.352 -2.092 69 1HA GLY 9 HA2 GLY 9 18.482 -9.403 0.245 70 2HA GLY 9 HA1 GLY 9 17.718 -8.843 -1.239 71 H GLU 10 HN GLU 10 20.028 -10.083 -2.709 72 HA GLU 10 HA GLU 10 18.833 -12.633 -3.175 73 1HB GLU 10 HB2 GLU 10 21.524 -11.841 -4.236 74 2HB GLU 10 HB1 GLU 10 20.271 -12.800 -5.008 75 1HG GLU 10 HG2 GLU 10 20.016 -10.895 -6.192 76 2HG GLU 10 HG1 GLU 10 18.949 -10.504 -4.845 77 H ASP 11 HN ASP 11 19.040 -13.635 -1.130 78 HA ASP 11 HA ASP 11 19.925 -15.265 0.195 79 1HB ASP 11 HB2 ASP 11 21.208 -15.948 -1.888 80 2HB ASP 11 HB1 ASP 11 22.556 -15.008 -1.260 81 H ALA 12 HN ALA 12 22.374 -12.790 -0.509 82 HA ALA 12 HA ALA 12 23.578 -11.397 0.809 83 1HB ALA 12 HB1 ALA 12 21.597 -11.742 3.020 84 2HB ALA 12 HB2 ALA 12 21.154 -10.902 1.533 85 3HB ALA 12 HB3 ALA 12 22.482 -10.299 2.524 86 H SER 13 HN SER 13 22.468 -12.763 3.778 87 HA SER 13 HA SER 13 23.409 -14.050 5.381 88 1HB SER 13 HB2 SER 13 25.200 -15.049 3.156 89 2HB SER 13 HB1 SER 13 25.051 -15.782 4.757 90 HG SER 13 HG SER 13 22.824 -15.381 3.042 91 HA PRO 14 HA PRO 14 26.610 -11.698 7.139 92 1HB PRO 14 HB2 PRO 14 27.944 -13.421 8.745 93 2HB PRO 14 HB1 PRO 14 26.288 -12.893 9.069 94 1HG PRO 14 HG2 PRO 14 27.251 -15.425 7.787 95 2HG PRO 14 HG1 PRO 14 26.002 -15.208 9.029 96 1HD PRO 14 HD2 PRO 14 25.397 -15.548 6.419 97 2HD PRO 14 HD1 PRO 14 24.419 -14.527 7.494 98 H GLU 15 HN GLU 15 27.414 -12.891 4.527 99 HA GLU 15 HA GLU 15 30.293 -12.455 4.925 100 1HB GLU 15 HB2 GLU 15 29.279 -14.873 4.127 101 2HB GLU 15 HB1 GLU 15 29.597 -14.090 2.585 102 1HG GLU 15 HG2 GLU 15 31.620 -14.380 4.797 103 2HG GLU 15 HG1 GLU 15 31.475 -15.479 3.426 104 H GLU 16 HN GLU 16 27.687 -12.536 2.522 105 HA GLU 16 HA GLU 16 28.891 -10.601 0.822 106 1HB GLU 16 HB2 GLU 16 26.009 -11.509 1.023 107 2HB GLU 16 HB1 GLU 16 26.650 -10.479 -0.249 108 1HG GLU 16 HG2 GLU 16 27.427 -13.331 0.317 109 2HG GLU 16 HG1 GLU 16 26.458 -12.750 -1.035 110 H LEU 17 HN LEU 17 26.370 -10.538 3.315 111 HA LEU 17 HA LEU 17 25.955 -7.724 3.163 112 1HB LEU 17 HB2 LEU 17 24.699 -9.828 4.451 113 2HB LEU 17 HB1 LEU 17 25.425 -8.930 5.772 114 HG LEU 17 HG LEU 17 24.004 -7.244 3.840 115 1HD1 LEU 17 HD11 LEU 17 22.275 -8.678 3.612 116 2HD1 LEU 17 HD12 LEU 17 21.832 -8.035 5.192 117 3HD1 LEU 17 HD13 LEU 17 22.684 -9.576 5.076 118 1HD2 LEU 17 HD21 LEU 17 24.582 -6.098 5.724 119 2HD2 LEU 17 HD22 LEU 17 24.391 -7.503 6.771 120 3HD2 LEU 17 HD23 LEU 17 22.967 -6.633 6.194 121 H ASN 18 HN ASN 18 28.082 -9.828 4.975 122 HA ASN 18 HA ASN 18 29.068 -7.866 6.774 123 1HB ASN 18 HB2 ASN 18 29.322 -10.279 7.182 124 2HB ASN 18 HB1 ASN 18 30.377 -10.410 5.779 125 1HD2 ASN 18 HD21 ASN 18 32.278 -10.940 6.642 126 2HD2 ASN 18 HD22 ASN 18 33.110 -10.033 7.856 127 H ARG 19 HN ARG 19 30.246 -9.127 3.670 128 HA ARG 19 HA ARG 19 32.601 -7.561 3.603 129 1HB ARG 19 HB2 ARG 19 31.321 -9.451 1.923 130 2HB ARG 19 HB1 ARG 19 31.667 -8.027 0.949 131 1HG ARG 19 HG2 ARG 19 33.973 -8.177 1.357 132 2HG ARG 19 HG1 ARG 19 33.746 -9.297 2.699 133 1HD ARG 19 HD2 ARG 19 34.609 -10.331 0.587 134 2HD ARG 19 HD1 ARG 19 33.141 -11.063 1.233 135 HE ARG 19 HE ARG 19 33.189 -9.185 -1.051 136 1HH1 ARG 19 HH11 ARG 19 31.936 -12.038 0.570 137 2HH1 ARG 19 HH12 ARG 19 30.707 -12.327 -0.632 138 1HH2 ARG 19 HH21 ARG 19 31.579 -9.580 -2.619 139 2HH2 ARG 19 HH22 ARG 19 30.484 -10.917 -2.411 140 H TYR 20 HN TYR 20 29.436 -7.080 2.051 141 HA TYR 20 HA TYR 20 30.043 -4.577 0.921 142 1HB TYR 20 HB2 TYR 20 28.032 -4.915 -0.003 143 2HB TYR 20 HB1 TYR 20 27.787 -6.303 1.048 144 HD1 TYR 20 HD1 TYR 20 26.555 -6.018 3.187 145 HD2 TYR 20 HD2 TYR 20 26.895 -2.858 0.367 146 HE1 TYR 20 HE1 TYR 20 24.700 -4.832 4.298 147 HE2 TYR 20 HE2 TYR 20 25.046 -1.664 1.459 148 HH TYR 20 HH TYR 20 23.206 -2.039 2.881 149 H TYR 21 HN TYR 21 28.990 -5.540 4.092 150 HA TYR 21 HA TYR 21 28.095 -3.156 5.191 151 1HB TYR 21 HB2 TYR 21 28.415 -5.652 6.112 152 2HB TYR 21 HB1 TYR 21 29.826 -4.906 6.854 153 HD1 TYR 21 HD1 TYR 21 26.141 -4.644 6.573 154 HD2 TYR 21 HD2 TYR 21 29.626 -3.624 8.788 155 HE1 TYR 21 HE1 TYR 21 24.729 -3.822 8.398 156 HE2 TYR 21 HE2 TYR 21 28.232 -2.797 10.619 157 HH TYR 21 HH TYR 21 26.092 -2.124 11.154 158 H ALA 22 HN ALA 22 31.346 -4.544 5.546 159 HA ALA 22 HA ALA 22 32.410 -2.148 6.644 160 1HB ALA 22 HB1 ALA 22 33.786 -4.597 5.564 161 2HB ALA 22 HB2 ALA 22 33.372 -4.252 7.247 162 3HB ALA 22 HB3 ALA 22 34.599 -3.285 6.421 163 H SER 23 HN SER 23 32.248 -3.449 3.384 164 HA SER 23 HA SER 23 34.075 -1.651 2.193 165 1HB SER 23 HB2 SER 23 31.689 -3.065 0.978 166 2HB SER 23 HB1 SER 23 32.946 -2.236 0.061 167 HG SER 23 HG SER 23 33.078 -4.627 1.533 168 H LEU 24 HN LEU 24 30.604 -1.454 2.820 169 HA LEU 24 HA LEU 24 30.126 0.961 1.451 170 1HB LEU 24 HB2 LEU 24 28.267 -0.434 1.975 171 2HB LEU 24 HB1 LEU 24 28.697 -0.487 3.674 172 HG LEU 24 HG LEU 24 28.275 2.204 3.238 173 1HD1 LEU 24 HD11 LEU 24 27.373 1.611 0.991 174 2HD1 LEU 24 HD12 LEU 24 26.229 2.444 2.043 175 3HD1 LEU 24 HD13 LEU 24 26.100 0.704 1.806 176 1HD2 LEU 24 HD21 LEU 24 27.386 0.252 4.913 177 2HD2 LEU 24 HD22 LEU 24 25.906 0.698 4.063 178 3HD2 LEU 24 HD23 LEU 24 26.832 1.927 4.928 179 H ARG 25 HN ARG 25 30.841 0.174 4.831 180 HA ARG 25 HA ARG 25 30.716 2.762 5.864 181 1HB ARG 25 HB2 ARG 25 31.322 0.258 6.859 182 2HB ARG 25 HB1 ARG 25 32.847 1.121 7.028 183 1HG ARG 25 HG2 ARG 25 31.432 1.260 9.036 184 2HG ARG 25 HG1 ARG 25 31.790 2.838 8.335 185 1HD ARG 25 HD2 ARG 25 29.592 3.205 8.467 186 2HD ARG 25 HD1 ARG 25 29.467 2.142 7.064 187 HE ARG 25 HE ARG 25 29.463 0.639 9.475 188 1HH1 ARG 25 HH11 ARG 25 27.436 2.763 7.559 189 2HH1 ARG 25 HH12 ARG 25 25.958 1.999 8.051 190 1HH2 ARG 25 HH21 ARG 25 27.514 -0.356 10.127 191 2HH2 ARG 25 HH22 ARG 25 25.997 0.216 9.493 192 H HIS 26 HN HIS 26 33.525 0.977 4.601 193 HA HIS 26 HA HIS 26 35.281 3.178 4.991 194 1HB HIS 26 HB2 HIS 26 35.631 0.488 4.477 195 2HB HIS 26 HB1 HIS 26 36.189 1.265 2.996 196 HD1 HIS 26 HD1 HIS 26 37.631 0.013 5.879 197 HD2 HIS 26 HD2 HIS 26 37.871 3.731 4.020 198 HE1 HIS 26 HE1 HIS 26 39.741 1.071 6.744 199 HE2 HIS 26 HE2 HIS 26 39.752 3.396 5.768 200 H TYR 27 HN TYR 27 33.435 2.003 2.204 201 HA TYR 27 HA TYR 27 34.597 3.784 0.332 202 1HB TYR 27 HB2 TYR 27 33.415 2.003 -0.644 203 2HB TYR 27 HB1 TYR 27 32.022 2.228 0.405 204 HD1 TYR 27 HD1 TYR 27 30.237 2.465 -1.134 205 HD2 TYR 27 HD2 TYR 27 33.781 4.773 -1.671 206 HE1 TYR 27 HE1 TYR 27 29.116 3.794 -2.856 207 HE2 TYR 27 HE2 TYR 27 32.660 6.096 -3.408 208 HH TYR 27 HH TYR 27 29.713 5.182 -4.801 209 H LEU 28 HN LEU 28 31.581 3.954 2.229 210 HA LEU 28 HA LEU 28 30.803 6.506 1.324 211 1HB LEU 28 HB2 LEU 28 30.212 5.076 3.909 212 2HB LEU 28 HB1 LEU 28 29.494 6.616 3.483 213 HG LEU 28 HG LEU 28 28.967 3.906 2.342 214 1HD1 LEU 28 HD11 LEU 28 26.906 6.001 2.567 215 2HD1 LEU 28 HD12 LEU 28 27.624 5.455 4.084 216 3HD1 LEU 28 HD13 LEU 28 26.846 4.293 3.006 217 1HD2 LEU 28 HD21 LEU 28 27.653 5.678 0.657 218 2HD2 LEU 28 HD22 LEU 28 29.020 4.643 0.239 219 3HD2 LEU 28 HD23 LEU 28 29.297 6.308 0.756 220 H ASN 29 HN ASN 29 33.129 5.560 3.733 221 HA ASN 29 HA ASN 29 33.380 8.240 4.805 222 1HB ASN 29 HB2 ASN 29 33.723 6.093 6.119 223 2HB ASN 29 HB1 ASN 29 35.238 5.906 5.245 224 1HD2 ASN 29 HD21 ASN 29 35.985 5.911 7.526 225 2HD2 ASN 29 HD22 ASN 29 36.412 7.445 8.220 226 H LEU 30 HN LEU 30 35.215 6.120 2.624 227 HA LEU 30 HA LEU 30 37.556 7.717 2.597 228 1HB LEU 30 HB2 LEU 30 36.682 5.251 1.436 229 2HB LEU 30 HB1 LEU 30 37.469 6.225 0.210 230 HG LEU 30 HG LEU 30 38.665 5.378 2.849 231 1HD1 LEU 30 HD11 LEU 30 39.769 3.730 1.759 232 2HD1 LEU 30 HD12 LEU 30 39.847 4.628 0.242 233 3HD1 LEU 30 HD13 LEU 30 38.352 3.814 0.711 234 1HD2 LEU 30 HD21 LEU 30 39.787 7.330 2.543 235 2HD2 LEU 30 HD22 LEU 30 39.523 7.343 0.799 236 3HD2 LEU 30 HD23 LEU 30 40.758 6.294 1.497 237 H VAL 31 HN VAL 31 34.577 8.078 0.931 238 HA VAL 31 HA VAL 31 35.486 9.274 -1.439 239 HB VAL 31 HB VAL 31 33.259 10.429 -1.513 240 1HG1 VAL 31 HG11 VAL 31 33.175 8.459 -2.652 241 2HG1 VAL 31 HG12 VAL 31 31.990 8.122 -1.387 242 3HG1 VAL 31 HG13 VAL 31 33.633 7.496 -1.246 243 1HG2 VAL 31 HG21 VAL 31 32.169 10.751 0.396 244 2HG2 VAL 31 HG22 VAL 31 33.263 9.675 1.267 245 3HG2 VAL 31 HG23 VAL 31 31.852 9.015 0.437 246 H THR 32 HN THR 32 35.094 10.538 1.781 247 HA THR 32 HA THR 32 35.929 13.196 0.866 248 HB THR 32 HB THR 32 35.503 13.500 3.524 249 HG1 THR 32 HG1 THR 32 33.279 11.963 3.098 250 1HG2 THR 32 HG21 THR 32 33.880 14.864 2.804 251 2HG2 THR 32 HG22 THR 32 32.967 13.534 2.094 252 3HG2 THR 32 HG23 THR 32 34.270 14.297 1.181 253 H ARG 33 HN ARG 33 37.677 10.909 0.903 254 HA ARG 33 HA ARG 33 39.809 10.366 1.391 255 1HB ARG 33 HB2 ARG 33 39.888 13.045 1.406 256 2HB ARG 33 HB1 ARG 33 40.312 12.751 3.087 257 1HG ARG 33 HG2 ARG 33 41.856 10.980 1.531 258 2HG ARG 33 HG1 ARG 33 41.944 12.564 0.758 259 1HD ARG 33 HD2 ARG 33 42.974 13.539 2.553 260 2HD ARG 33 HD1 ARG 33 42.263 12.417 3.713 261 HE ARG 33 HE ARG 33 43.858 10.732 2.797 262 1HH1 ARG 33 HH11 ARG 33 44.516 14.158 2.508 263 2HH1 ARG 33 HH12 ARG 33 46.238 13.965 2.423 264 1HH2 ARG 33 HH21 ARG 33 46.115 10.446 2.657 265 2HH2 ARG 33 HH22 ARG 33 47.157 11.831 2.473 266 H GLN 34 HN GLN 34 37.561 9.714 3.159 267 HA GLN 34 HA GLN 34 37.180 8.598 5.102 268 1HB GLN 34 HB2 GLN 34 39.699 7.804 4.270 269 2HB GLN 34 HB1 GLN 34 39.963 8.277 5.942 270 1HG GLN 34 HG2 GLN 34 37.704 6.798 6.162 271 2HG GLN 34 HG1 GLN 34 38.529 5.985 4.832 272 1HE2 GLN 34 HE21 GLN 34 38.811 6.997 8.181 273 2HE2 GLN 34 HE22 GLN 34 40.037 5.848 8.620 274 H ARG 35 HN ARG 35 37.436 11.483 5.156 275 HA ARG 35 HA ARG 35 38.336 11.843 7.935 276 1HB ARG 35 HB2 ARG 35 39.640 13.013 6.022 277 2HB ARG 35 HB1 ARG 35 38.253 14.090 5.946 278 1HG ARG 35 HG2 ARG 35 38.741 15.095 7.914 279 2HG ARG 35 HG1 ARG 35 39.463 13.642 8.606 280 1HD ARG 35 HD2 ARG 35 41.224 15.196 8.288 281 2HD ARG 35 HD1 ARG 35 41.390 13.978 7.025 282 HE ARG 35 HE ARG 35 39.873 16.295 6.221 283 1HH1 ARG 35 HH11 ARG 35 43.100 14.952 6.550 284 2HH1 ARG 35 HH12 ARG 35 43.770 15.957 5.292 285 1HH2 ARG 35 HH21 ARG 35 40.749 17.581 4.564 286 2HH2 ARG 35 HH22 ARG 35 42.439 17.442 4.169 287 H TYR 36 HN TYR 36 35.787 12.369 5.614 288 HA TYR 36 HA TYR 36 34.130 13.499 7.760 289 1HB TYR 36 HB2 TYR 36 33.774 14.503 4.956 290 2HB TYR 36 HB1 TYR 36 33.314 15.264 6.474 291 HD1 TYR 36 HD1 TYR 36 35.078 16.338 7.888 292 HD2 TYR 36 HD2 TYR 36 35.887 14.920 3.959 293 HE1 TYR 36 HE1 TYR 36 37.133 17.688 7.824 294 HE2 TYR 36 HE2 TYR 36 37.940 16.264 3.890 295 HH TYR 36 HH TYR 36 38.634 18.691 6.131 296 1HN NH2 37 H1 NH2 37 32.702 10.439 6.143 297 2HN NH2 37 H2 NH2 37 34.215 10.805 6.888 Start of MODEL 14 1 1H TYR 1 HT1 TYR 1 35.094 -1.363 -6.520 2 2H TYR 1 HT2 TYR 1 34.451 -0.641 -5.131 3 3H TYR 1 HT3 TYR 1 36.130 -0.692 -5.361 4 HA TYR 1 HA TYR 1 36.014 1.301 -6.253 5 1HB TYR 1 HB2 TYR 1 35.028 -0.562 -8.257 6 2HB TYR 1 HB1 TYR 1 34.389 1.058 -8.520 7 HD1 TYR 1 HD1 TYR 1 35.632 1.153 -10.656 8 HD2 TYR 1 HD2 TYR 1 37.646 0.724 -6.935 9 HE1 TYR 1 HE1 TYR 1 37.747 1.810 -11.733 10 HE2 TYR 1 HE2 TYR 1 39.761 1.382 -7.995 11 HH TYR 1 HH TYR 1 40.060 1.752 -11.455 12 HA PRO 2 HA PRO 2 32.323 3.594 -5.174 13 1HB PRO 2 HB2 PRO 2 32.580 5.197 -7.645 14 2HB PRO 2 HB1 PRO 2 32.599 5.720 -5.959 15 1HG PRO 2 HG2 PRO 2 34.834 5.705 -7.417 16 2HG PRO 2 HG1 PRO 2 34.855 5.243 -5.701 17 1HD PRO 2 HD2 PRO 2 34.884 3.495 -8.138 18 2HD PRO 2 HD1 PRO 2 35.829 3.348 -6.642 19 H ILE 3 HN ILE 3 31.263 1.471 -5.897 20 HA ILE 3 HA ILE 3 29.777 1.626 -8.382 21 HB ILE 3 HB ILE 3 30.747 -0.510 -7.726 22 1HG1 ILE 3 HG12 ILE 3 27.722 -0.474 -7.626 23 2HG1 ILE 3 HG11 ILE 3 28.725 -0.616 -9.065 24 1HG2 ILE 3 HG21 ILE 3 30.884 -0.721 -5.472 25 2HG2 ILE 3 HG22 ILE 3 29.398 -1.639 -5.722 26 3HG2 ILE 3 HG23 ILE 3 29.316 0.041 -5.190 27 1HD1 ILE 3 HD11 ILE 3 29.540 -2.726 -7.481 28 2HD1 ILE 3 HD12 ILE 3 28.454 -2.808 -8.867 29 3HD1 ILE 3 HD13 ILE 3 27.794 -2.655 -7.238 30 H LYS 4 HN LYS 4 29.331 2.470 -5.113 31 HA LYS 4 HA LYS 4 27.577 3.074 -3.810 32 1HB LYS 4 HB2 LYS 4 26.054 3.204 -6.425 33 2HB LYS 4 HB1 LYS 4 25.479 3.829 -4.887 34 1HG LYS 4 HG2 LYS 4 26.955 5.605 -4.900 35 2HG LYS 4 HG1 LYS 4 28.072 4.802 -6.006 36 1HD LYS 4 HD2 LYS 4 26.995 6.519 -7.245 37 2HD LYS 4 HD1 LYS 4 26.292 4.989 -7.774 38 1HE LYS 4 HE2 LYS 4 24.544 5.519 -5.881 39 2HE LYS 4 HE1 LYS 4 25.090 7.175 -6.146 40 1HZ LYS 4 HZ1 LYS 4 24.446 7.056 -8.416 41 2HZ LYS 4 HZ2 LYS 4 23.133 6.506 -7.491 42 3HZ LYS 4 HZ3 LYS 4 24.114 5.394 -8.312 43 HA PRO 5 HA PRO 5 26.404 -1.400 -3.915 44 1HB PRO 5 HB2 PRO 5 26.546 -1.668 -1.180 45 2HB PRO 5 HB1 PRO 5 27.909 -1.922 -2.281 46 1HG PRO 5 HG2 PRO 5 27.208 0.483 -0.643 47 2HG PRO 5 HG1 PRO 5 28.797 -0.246 -0.939 48 1HD PRO 5 HD2 PRO 5 27.998 1.961 -2.240 49 2HD PRO 5 HD1 PRO 5 28.997 0.726 -3.034 50 H GLU 6 HN GLU 6 24.381 -2.094 -3.872 51 HA GLU 6 HA GLU 6 22.373 -0.569 -2.387 52 1HB GLU 6 HB2 GLU 6 22.371 -1.628 -4.954 53 2HB GLU 6 HB1 GLU 6 21.407 -2.779 -4.042 54 1HG GLU 6 HG2 GLU 6 20.853 0.156 -3.843 55 2HG GLU 6 HG1 GLU 6 20.231 -0.792 -5.193 56 H ALA 7 HN ALA 7 20.624 -1.910 -1.327 57 HA ALA 7 HA ALA 7 21.815 -3.727 0.512 58 1HB ALA 7 HB1 ALA 7 19.536 -4.000 1.385 59 2HB ALA 7 HB2 ALA 7 18.905 -3.117 -0.005 60 3HB ALA 7 HB3 ALA 7 19.951 -2.301 1.160 61 HA PRO 8 HA PRO 8 21.303 -7.331 -2.097 62 1HB PRO 8 HB2 PRO 8 22.576 -9.074 -0.507 63 2HB PRO 8 HB1 PRO 8 23.458 -7.817 -1.387 64 1HG PRO 8 HG2 PRO 8 22.592 -7.868 1.484 65 2HG PRO 8 HG1 PRO 8 24.148 -7.368 0.794 66 1HD PRO 8 HD2 PRO 8 22.179 -5.611 1.512 67 2HD PRO 8 HD1 PRO 8 23.373 -5.281 0.241 68 H GLY 9 HN GLY 9 20.694 -9.788 -1.434 69 1HA GLY 9 HA2 GLY 9 18.806 -9.933 0.735 70 2HA GLY 9 HA1 GLY 9 18.059 -9.893 -0.857 71 H GLU 10 HN GLU 10 19.567 -11.450 -2.408 72 HA GLU 10 HA GLU 10 18.800 -14.011 -1.433 73 1HB GLU 10 HB2 GLU 10 20.328 -13.319 -3.937 74 2HB GLU 10 HB1 GLU 10 19.536 -14.851 -3.596 75 1HG GLU 10 HG2 GLU 10 17.807 -14.013 -4.710 76 2HG GLU 10 HG1 GLU 10 17.500 -13.059 -3.260 77 H ASP 11 HN ASP 11 19.958 -14.929 0.106 78 HA ASP 11 HA ASP 11 21.660 -15.928 1.220 79 1HB ASP 11 HB2 ASP 11 21.662 -17.072 -1.120 80 2HB ASP 11 HB1 ASP 11 23.172 -16.197 -1.359 81 H ALA 12 HN ALA 12 21.831 -13.340 1.573 82 HA ALA 12 HA ALA 12 24.666 -12.645 1.117 83 1HB ALA 12 HB1 ALA 12 22.200 -11.134 0.701 84 2HB ALA 12 HB2 ALA 12 23.809 -10.889 0.023 85 3HB ALA 12 HB3 ALA 12 23.422 -10.261 1.626 86 H SER 13 HN SER 13 22.829 -13.864 3.369 87 HA SER 13 HA SER 13 22.474 -12.275 5.504 88 1HB SER 13 HB2 SER 13 23.562 -14.835 6.360 89 2HB SER 13 HB1 SER 13 21.929 -14.188 6.532 90 HG SER 13 HG SER 13 23.030 -15.798 4.526 91 HA PRO 14 HA PRO 14 26.852 -12.282 7.056 92 1HB PRO 14 HB2 PRO 14 28.606 -14.272 6.421 93 2HB PRO 14 HB1 PRO 14 27.363 -14.425 7.664 94 1HG PRO 14 HG2 PRO 14 27.538 -15.783 5.116 95 2HG PRO 14 HG1 PRO 14 26.371 -16.036 6.420 96 1HD PRO 14 HD2 PRO 14 26.103 -14.445 3.949 97 2HD PRO 14 HD1 PRO 14 24.839 -15.126 4.997 98 H GLU 15 HN GLU 15 27.652 -13.712 3.865 99 HA GLU 15 HA GLU 15 30.108 -12.406 3.633 100 1HB GLU 15 HB2 GLU 15 28.281 -13.810 1.739 101 2HB GLU 15 HB1 GLU 15 29.627 -12.888 1.081 102 1HG GLU 15 HG2 GLU 15 29.895 -15.057 3.145 103 2HG GLU 15 HG1 GLU 15 30.102 -15.296 1.411 104 H GLU 16 HN GLU 16 27.248 -11.749 1.666 105 HA GLU 16 HA GLU 16 28.349 -9.386 0.583 106 1HB GLU 16 HB2 GLU 16 25.699 -10.763 0.422 107 2HB GLU 16 HB1 GLU 16 25.879 -9.137 -0.229 108 1HG GLU 16 HG2 GLU 16 27.748 -11.340 -1.011 109 2HG GLU 16 HG1 GLU 16 26.186 -11.137 -1.803 110 H LEU 17 HN LEU 17 26.298 -10.054 3.343 111 HA LEU 17 HA LEU 17 25.337 -7.397 3.661 112 1HB LEU 17 HB2 LEU 17 24.384 -9.418 4.802 113 2HB LEU 17 HB1 LEU 17 25.807 -9.447 5.829 114 HG LEU 17 HG LEU 17 24.852 -6.852 6.088 115 1HD1 LEU 17 HD11 LEU 17 22.760 -8.207 5.011 116 2HD1 LEU 17 HD12 LEU 17 22.617 -6.796 6.059 117 3HD1 LEU 17 HD13 LEU 17 22.469 -8.417 6.740 118 1HD2 LEU 17 HD21 LEU 17 24.000 -8.938 8.026 119 2HD2 LEU 17 HD22 LEU 17 24.770 -7.376 8.308 120 3HD2 LEU 17 HD23 LEU 17 25.728 -8.737 7.725 121 H ASN 18 HN ASN 18 28.005 -9.209 5.169 122 HA ASN 18 HA ASN 18 29.080 -6.956 6.499 123 1HB ASN 18 HB2 ASN 18 30.111 -8.655 7.522 124 2HB ASN 18 HB1 ASN 18 29.714 -9.761 6.218 125 1HD2 ASN 18 HD21 ASN 18 31.265 -10.327 4.778 126 2HD2 ASN 18 HD22 ASN 18 32.906 -9.795 4.868 127 H ARG 19 HN ARG 19 29.501 -8.297 3.294 128 HA ARG 19 HA ARG 19 31.855 -6.935 2.572 129 1HB ARG 19 HB2 ARG 19 29.777 -8.445 1.227 130 2HB ARG 19 HB1 ARG 19 30.302 -7.077 0.255 131 1HG ARG 19 HG2 ARG 19 32.109 -8.187 -0.359 132 2HG ARG 19 HG1 ARG 19 32.606 -8.347 1.325 133 1HD ARG 19 HD2 ARG 19 32.464 -10.548 0.619 134 2HD ARG 19 HD1 ARG 19 30.912 -10.286 1.412 135 HE ARG 19 HE ARG 19 30.243 -9.722 -1.083 136 1HH1 ARG 19 HH11 ARG 19 32.086 -12.398 0.231 137 2HH1 ARG 19 HH12 ARG 19 31.805 -13.430 -1.144 138 1HH2 ARG 19 HH21 ARG 19 29.817 -11.065 -2.832 139 2HH2 ARG 19 HH22 ARG 19 30.496 -12.668 -2.899 140 H TYR 20 HN TYR 20 28.486 -6.076 1.751 141 HA TYR 20 HA TYR 20 29.184 -3.505 0.780 142 1HB TYR 20 HB2 TYR 20 27.083 -3.566 0.007 143 2HB TYR 20 HB1 TYR 20 26.900 -5.129 0.785 144 HD1 TYR 20 HD1 TYR 20 25.944 -1.638 0.804 145 HD2 TYR 20 HD2 TYR 20 25.827 -5.256 3.047 146 HE1 TYR 20 HE1 TYR 20 24.142 -0.715 2.195 147 HE2 TYR 20 HE2 TYR 20 24.031 -4.333 4.447 148 HH TYR 20 HH TYR 20 22.479 -1.297 3.690 149 H TYR 21 HN TYR 21 28.382 -4.751 3.904 150 HA TYR 21 HA TYR 21 27.720 -2.478 5.356 151 1HB TYR 21 HB2 TYR 21 28.265 -5.138 5.888 152 2HB TYR 21 HB1 TYR 21 29.529 -4.283 6.763 153 HD1 TYR 21 HD1 TYR 21 29.102 -3.414 8.837 154 HD2 TYR 21 HD2 TYR 21 25.849 -4.357 6.275 155 HE1 TYR 21 HE1 TYR 21 27.555 -2.984 10.671 156 HE2 TYR 21 HE2 TYR 21 24.269 -3.932 8.102 157 HH TYR 21 HH TYR 21 24.494 -4.035 10.781 158 H ALA 22 HN ALA 22 30.918 -4.003 5.253 159 HA ALA 22 HA ALA 22 32.102 -1.728 6.517 160 1HB ALA 22 HB1 ALA 22 32.835 -3.951 7.064 161 2HB ALA 22 HB2 ALA 22 34.176 -3.026 6.379 162 3HB ALA 22 HB3 ALA 22 33.339 -4.228 5.394 163 H SER 23 HN SER 23 31.614 -2.752 3.253 164 HA SER 23 HA SER 23 33.521 -1.067 2.024 165 1HB SER 23 HB2 SER 23 30.806 -2.014 1.063 166 2HB SER 23 HB1 SER 23 31.955 -1.132 0.055 167 HG SER 23 HG SER 23 32.236 -3.705 1.211 168 H LEU 24 HN LEU 24 30.130 -0.572 2.933 169 HA LEU 24 HA LEU 24 29.773 2.084 2.320 170 1HB LEU 24 HB2 LEU 24 28.485 0.141 3.923 171 2HB LEU 24 HB1 LEU 24 28.720 1.543 4.945 172 HG LEU 24 HG LEU 24 27.429 2.928 3.473 173 1HD1 LEU 24 HD11 LEU 24 26.793 2.419 1.341 174 2HD1 LEU 24 HD12 LEU 24 26.783 0.681 1.640 175 3HD1 LEU 24 HD13 LEU 24 28.313 1.528 1.420 176 1HD2 LEU 24 HD21 LEU 24 25.714 2.110 4.631 177 2HD2 LEU 24 HD22 LEU 24 26.406 0.486 4.638 178 3HD2 LEU 24 HD23 LEU 24 25.419 1.019 3.277 179 H ARG 25 HN ARG 25 31.004 0.712 5.346 180 HA ARG 25 HA ARG 25 31.618 3.094 6.649 181 1HB ARG 25 HB2 ARG 25 32.113 0.288 7.022 182 2HB ARG 25 HB1 ARG 25 33.555 1.203 7.432 183 1HG ARG 25 HG2 ARG 25 32.644 2.039 9.295 184 2HG ARG 25 HG1 ARG 25 31.083 2.317 8.524 185 1HD ARG 25 HD2 ARG 25 30.775 0.683 10.245 186 2HD ARG 25 HD1 ARG 25 30.638 -0.130 8.684 187 HE ARG 25 HE ARG 25 32.517 -1.349 9.183 188 1HH1 ARG 25 HH11 ARG 25 32.148 1.215 11.535 189 2HH1 ARG 25 HH12 ARG 25 33.477 0.677 12.513 190 1HH2 ARG 25 HH21 ARG 25 34.237 -2.083 10.478 191 2HH2 ARG 25 HH22 ARG 25 34.685 -1.196 11.909 192 H HIS 26 HN HIS 26 33.925 0.974 4.902 193 HA HIS 26 HA HIS 26 36.067 2.804 5.357 194 1HB HIS 26 HB2 HIS 26 35.983 0.162 4.865 195 2HB HIS 26 HB1 HIS 26 36.369 0.746 3.248 196 HD1 HIS 26 HD1 HIS 26 38.802 0.096 3.109 197 HD2 HIS 26 HD2 HIS 26 37.890 2.238 6.558 198 HE1 HIS 26 HE1 HIS 26 41.006 0.599 4.202 199 HE2 HIS 26 HE2 HIS 26 40.442 2.080 6.159 200 H TYR 27 HN TYR 27 34.077 2.041 2.523 201 HA TYR 27 HA TYR 27 35.677 3.578 0.736 202 1HB TYR 27 HB2 TYR 27 34.512 2.019 -0.472 203 2HB TYR 27 HB1 TYR 27 33.095 2.115 0.561 204 HD1 TYR 27 HD1 TYR 27 34.945 4.316 -1.855 205 HD2 TYR 27 HD2 TYR 27 31.188 2.941 -0.402 206 HE1 TYR 27 HE1 TYR 27 33.794 5.662 -3.562 207 HE2 TYR 27 HE2 TYR 27 30.033 4.289 -2.096 208 HH TYR 27 HH TYR 27 31.394 6.737 -3.745 209 H LEU 28 HN LEU 28 32.542 4.200 2.376 210 HA LEU 28 HA LEU 28 32.266 6.811 1.295 211 1HB LEU 28 HB2 LEU 28 31.123 5.464 3.721 212 2HB LEU 28 HB1 LEU 28 30.814 7.159 3.405 213 HG LEU 28 HG LEU 28 30.084 4.872 1.572 214 1HD1 LEU 28 HD11 LEU 28 28.009 6.612 2.707 215 2HD1 LEU 28 HD12 LEU 28 28.825 5.562 3.866 216 3HD1 LEU 28 HD13 LEU 28 28.022 4.866 2.458 217 1HD2 LEU 28 HD21 LEU 28 30.631 6.885 0.323 218 2HD2 LEU 28 HD22 LEU 28 29.548 7.830 1.344 219 3HD2 LEU 28 HD23 LEU 28 28.894 6.583 0.285 220 H ASN 29 HN ASN 29 33.942 5.556 4.109 221 HA ASN 29 HA ASN 29 34.578 7.989 5.362 222 1HB ASN 29 HB2 ASN 29 35.347 5.232 5.606 223 2HB ASN 29 HB1 ASN 29 36.787 6.237 5.664 224 1HD2 ASN 29 HD21 ASN 29 33.900 5.286 7.247 225 2HD2 ASN 29 HD22 ASN 29 34.177 6.125 8.733 226 H LEU 30 HN LEU 30 36.571 6.036 3.139 227 HA LEU 30 HA LEU 30 38.655 7.974 3.125 228 1HB LEU 30 HB2 LEU 30 39.513 5.885 2.826 229 2HB LEU 30 HB1 LEU 30 38.141 5.337 1.883 230 HG LEU 30 HG LEU 30 39.100 6.912 0.050 231 1HD1 LEU 30 HD11 LEU 30 41.469 6.506 1.857 232 2HD1 LEU 30 HD12 LEU 30 40.785 8.036 1.304 233 3HD1 LEU 30 HD13 LEU 30 41.605 6.970 0.160 234 1HD2 LEU 30 HD21 LEU 30 40.878 4.939 -0.351 235 2HD2 LEU 30 HD22 LEU 30 39.148 4.768 -0.655 236 3HD2 LEU 30 HD23 LEU 30 39.842 4.176 0.856 237 H VAL 31 HN VAL 31 35.835 7.447 1.147 238 HA VAL 31 HA VAL 31 36.847 8.741 -1.158 239 HB VAL 31 HB VAL 31 34.758 7.197 -0.956 240 1HG1 VAL 31 HG11 VAL 31 32.628 8.474 -0.945 241 2HG1 VAL 31 HG12 VAL 31 33.534 9.901 -0.438 242 3HG1 VAL 31 HG13 VAL 31 33.465 8.483 0.609 243 1HG2 VAL 31 HG21 VAL 31 35.023 7.670 -3.124 244 2HG2 VAL 31 HG22 VAL 31 35.433 9.354 -2.796 245 3HG2 VAL 31 HG23 VAL 31 33.743 8.858 -2.876 246 H THR 32 HN THR 32 35.371 9.897 1.749 247 HA THR 32 HA THR 32 35.269 12.625 0.744 248 HB THR 32 HB THR 32 34.929 12.015 3.642 249 HG1 THR 32 HG1 THR 32 33.646 10.386 2.984 250 1HG2 THR 32 HG21 THR 32 34.294 14.119 1.818 251 2HG2 THR 32 HG22 THR 32 34.074 14.074 3.569 252 3HG2 THR 32 HG23 THR 32 32.794 13.492 2.505 253 H ARG 33 HN ARG 33 37.742 10.926 1.068 254 HA ARG 33 HA ARG 33 39.923 11.135 1.635 255 1HB ARG 33 HB2 ARG 33 38.946 13.852 1.403 256 2HB ARG 33 HB1 ARG 33 40.248 13.740 2.577 257 1HG ARG 33 HG2 ARG 33 40.977 12.228 0.284 258 2HG ARG 33 HG1 ARG 33 40.423 13.820 -0.240 259 1HD ARG 33 HD2 ARG 33 42.474 14.530 0.264 260 2HD ARG 33 HD1 ARG 33 41.972 14.400 1.949 261 HE ARG 33 HE ARG 33 43.320 12.181 0.529 262 1HH1 ARG 33 HH11 ARG 33 42.909 14.238 3.335 263 2HH1 ARG 33 HH12 ARG 33 44.213 13.501 4.226 264 1HH2 ARG 33 HH21 ARG 33 45.013 11.182 1.718 265 2HH2 ARG 33 HH22 ARG 33 45.401 11.772 3.310 266 H GLN 34 HN GLN 34 37.759 10.595 3.623 267 HA GLN 34 HA GLN 34 37.471 10.197 5.837 268 1HB GLN 34 HB2 GLN 34 40.338 9.986 5.388 269 2HB GLN 34 HB1 GLN 34 39.957 10.440 7.044 270 1HG GLN 34 HG2 GLN 34 38.175 8.393 6.404 271 2HG GLN 34 HG1 GLN 34 39.735 7.896 5.746 272 1HE2 GLN 34 HE21 GLN 34 37.848 7.582 8.336 273 2HE2 GLN 34 HE22 GLN 34 39.046 7.384 9.572 274 H ARG 35 HN ARG 35 37.942 13.112 4.732 275 HA ARG 35 HA ARG 35 37.446 14.400 7.270 276 1HB ARG 35 HB2 ARG 35 40.028 14.651 5.851 277 2HB ARG 35 HB1 ARG 35 39.297 16.171 6.344 278 1HG ARG 35 HG2 ARG 35 39.080 14.512 8.573 279 2HG ARG 35 HG1 ARG 35 40.693 14.210 7.917 280 1HD ARG 35 HD2 ARG 35 39.711 17.016 8.214 281 2HD ARG 35 HD1 ARG 35 40.294 16.142 9.629 282 HE ARG 35 HE ARG 35 42.339 15.757 8.037 283 1HH1 ARG 35 HH11 ARG 35 40.444 18.669 8.460 284 2HH1 ARG 35 HH12 ARG 35 41.764 19.742 8.086 285 1HH2 ARG 35 HH21 ARG 35 44.076 17.143 7.537 286 2HH2 ARG 35 HH22 ARG 35 43.832 18.870 7.545 287 H TYR 36 HN TYR 36 38.662 15.670 4.191 288 HA TYR 36 HA TYR 36 36.049 16.356 3.232 289 1HB TYR 36 HB2 TYR 36 36.925 18.185 4.970 290 2HB TYR 36 HB1 TYR 36 37.791 18.751 3.546 291 HD1 TYR 36 HD1 TYR 36 36.730 20.637 2.733 292 HD2 TYR 36 HD2 TYR 36 34.362 17.335 3.986 293 HE1 TYR 36 HE1 TYR 36 34.706 21.796 1.947 294 HE2 TYR 36 HE2 TYR 36 32.332 18.483 3.205 295 HH TYR 36 HH TYR 36 31.475 20.407 2.470 296 1HN NH2 37 H1 NH2 37 37.563 16.827 0.085 297 2HN NH2 37 H2 NH2 37 36.112 16.955 1.014 Start of MODEL 15 1 1H TYR 1 HT1 TYR 1 38.044 7.678 -8.480 2 2H TYR 1 HT2 TYR 1 38.040 6.487 -7.275 3 3H TYR 1 HT3 TYR 1 38.181 8.126 -6.852 4 HA TYR 1 HA TYR 1 36.025 8.380 -6.746 5 1HB TYR 1 HB2 TYR 1 36.300 7.435 -9.552 6 2HB TYR 1 HB1 TYR 1 34.686 7.377 -8.852 7 HD1 TYR 1 HD1 TYR 1 36.033 9.156 -11.130 8 HD2 TYR 1 HD2 TYR 1 34.889 9.808 -7.085 9 HE1 TYR 1 HE1 TYR 1 35.748 11.554 -11.605 10 HE2 TYR 1 HE2 TYR 1 34.598 12.204 -7.543 11 HH TYR 1 HH TYR 1 35.613 13.871 -9.300 12 HA PRO 2 HA PRO 2 34.616 4.487 -5.112 13 1HB PRO 2 HB2 PRO 2 32.273 5.283 -4.083 14 2HB PRO 2 HB1 PRO 2 33.808 5.813 -3.385 15 1HG PRO 2 HG2 PRO 2 31.960 7.276 -5.228 16 2HG PRO 2 HG1 PRO 2 32.828 7.877 -3.805 17 1HD PRO 2 HD2 PRO 2 33.672 8.249 -6.392 18 2HD PRO 2 HD1 PRO 2 34.750 8.243 -4.982 19 H ILE 3 HN ILE 3 31.898 3.793 -4.977 20 HA ILE 3 HA ILE 3 30.830 3.944 -7.655 21 HB ILE 3 HB ILE 3 32.324 2.058 -7.853 22 1HG1 ILE 3 HG12 ILE 3 30.336 0.216 -8.074 23 2HG1 ILE 3 HG11 ILE 3 29.407 1.712 -8.043 24 1HG2 ILE 3 HG21 ILE 3 31.118 0.083 -6.212 25 2HG2 ILE 3 HG22 ILE 3 31.561 1.463 -5.208 26 3HG2 ILE 3 HG23 ILE 3 32.781 0.671 -6.207 27 1HD1 ILE 3 HD11 ILE 3 29.827 1.916 -10.209 28 2HD1 ILE 3 HD12 ILE 3 30.953 0.560 -10.169 29 3HD1 ILE 3 HD13 ILE 3 31.519 2.187 -9.799 30 H LYS 4 HN LYS 4 29.533 1.272 -6.028 31 HA LYS 4 HA LYS 4 27.692 2.733 -4.377 32 1HB LYS 4 HB2 LYS 4 27.056 2.284 -7.121 33 2HB LYS 4 HB1 LYS 4 26.005 1.269 -6.144 34 1HG LYS 4 HG2 LYS 4 24.733 3.013 -5.648 35 2HG LYS 4 HG1 LYS 4 26.122 3.870 -4.979 36 1HD LYS 4 HD2 LYS 4 25.918 5.318 -6.662 37 2HD LYS 4 HD1 LYS 4 26.462 4.025 -7.735 38 1HE LYS 4 HE2 LYS 4 24.505 4.219 -8.770 39 2HE LYS 4 HE1 LYS 4 23.776 3.487 -7.343 40 1HZ LYS 4 HZ1 LYS 4 22.779 5.651 -8.091 41 2HZ LYS 4 HZ2 LYS 4 24.218 6.410 -7.606 42 3HZ LYS 4 HZ3 LYS 4 23.261 5.601 -6.463 43 HA PRO 5 HA PRO 5 27.927 -1.428 -2.737 44 1HB PRO 5 HB2 PRO 5 27.123 -0.816 -0.244 45 2HB PRO 5 HB1 PRO 5 28.746 -0.431 -0.827 46 1HG PRO 5 HG2 PRO 5 26.395 1.346 -0.439 47 2HG PRO 5 HG1 PRO 5 28.118 1.701 -0.242 48 1HD PRO 5 HD2 PRO 5 26.539 2.370 -2.453 49 2HD PRO 5 HD1 PRO 5 28.311 2.379 -2.398 50 H GLU 6 HN GLU 6 26.124 -1.985 -4.188 51 HA GLU 6 HA GLU 6 23.420 -1.613 -3.377 52 1HB GLU 6 HB2 GLU 6 24.632 -2.412 -5.688 53 2HB GLU 6 HB1 GLU 6 24.021 -3.944 -5.080 54 1HG GLU 6 HG2 GLU 6 21.788 -3.174 -5.103 55 2HG GLU 6 HG1 GLU 6 22.291 -1.503 -5.353 56 H ALA 7 HN ALA 7 21.943 -3.301 -2.699 57 HA ALA 7 HA ALA 7 22.860 -4.716 -0.453 58 1HB ALA 7 HB1 ALA 7 20.687 -4.704 -0.047 59 2HB ALA 7 HB2 ALA 7 20.442 -5.885 -1.331 60 3HB ALA 7 HB3 ALA 7 20.362 -4.161 -1.693 61 HA PRO 8 HA PRO 8 24.402 -8.324 -2.511 62 1HB PRO 8 HB2 PRO 8 25.286 -9.636 -0.365 63 2HB PRO 8 HB1 PRO 8 26.038 -8.120 -0.883 64 1HG PRO 8 HG2 PRO 8 24.083 -8.607 1.328 65 2HG PRO 8 HG1 PRO 8 25.501 -7.545 1.303 66 1HD PRO 8 HD2 PRO 8 22.882 -6.721 0.899 67 2HD PRO 8 HD1 PRO 8 24.325 -5.823 0.386 68 H GLY 9 HN GLY 9 21.652 -8.384 -2.447 69 1HA GLY 9 HA2 GLY 9 20.634 -10.632 -2.993 70 2HA GLY 9 HA1 GLY 9 21.025 -11.030 -1.319 71 H GLU 10 HN GLU 10 18.894 -11.289 -0.645 72 HA GLU 10 HA GLU 10 17.358 -8.788 -0.672 73 1HB GLU 10 HB2 GLU 10 16.580 -11.540 -1.134 74 2HB GLU 10 HB1 GLU 10 15.652 -10.847 0.190 75 1HG GLU 10 HG2 GLU 10 15.911 -9.691 -2.576 76 2HG GLU 10 HG1 GLU 10 14.514 -10.557 -1.935 77 H ASP 11 HN ASP 11 18.200 -11.586 1.315 78 HA ASP 11 HA ASP 11 17.921 -9.871 3.689 79 1HB ASP 11 HB2 ASP 11 17.184 -11.646 4.927 80 2HB ASP 11 HB1 ASP 11 16.625 -12.185 3.350 81 H ALA 12 HN ALA 12 19.952 -12.092 1.925 82 HA ALA 12 HA ALA 12 22.193 -12.186 1.662 83 1HB ALA 12 HB1 ALA 12 22.685 -9.995 1.530 84 2HB ALA 12 HB2 ALA 12 23.493 -10.322 3.063 85 3HB ALA 12 HB3 ALA 12 21.881 -9.605 3.051 86 H SER 13 HN SER 13 23.715 -13.466 2.492 87 HA SER 13 HA SER 13 23.474 -14.553 5.110 88 1HB SER 13 HB2 SER 13 26.047 -15.108 4.048 89 2HB SER 13 HB1 SER 13 24.630 -16.163 4.045 90 HG SER 13 HG SER 13 25.702 -15.472 1.930 91 HA PRO 14 HA PRO 14 25.940 -11.969 7.727 92 1HB PRO 14 HB2 PRO 14 28.059 -13.707 8.383 93 2HB PRO 14 HB1 PRO 14 26.559 -13.483 9.283 94 1HG PRO 14 HG2 PRO 14 27.293 -15.590 7.311 95 2HG PRO 14 HG1 PRO 14 26.273 -15.707 8.756 96 1HD PRO 14 HD2 PRO 14 25.196 -15.664 6.316 97 2HD PRO 14 HD1 PRO 14 24.418 -14.818 7.672 98 H GLU 15 HN GLU 15 28.046 -13.982 5.681 99 HA GLU 15 HA GLU 15 30.188 -12.117 5.555 100 1HB GLU 15 HB2 GLU 15 30.025 -13.877 3.250 101 2HB GLU 15 HB1 GLU 15 31.245 -13.803 4.517 102 1HG GLU 15 HG2 GLU 15 29.699 -15.127 5.962 103 2HG GLU 15 HG1 GLU 15 28.651 -15.321 4.561 104 H GLU 16 HN GLU 16 27.360 -12.668 3.585 105 HA GLU 16 HA GLU 16 28.093 -11.044 1.399 106 1HB GLU 16 HB2 GLU 16 25.644 -12.374 2.371 107 2HB GLU 16 HB1 GLU 16 25.360 -10.922 1.423 108 1HG GLU 16 HG2 GLU 16 25.709 -13.447 0.432 109 2HG GLU 16 HG1 GLU 16 25.853 -11.948 -0.485 110 H LEU 17 HN LEU 17 26.053 -10.479 4.250 111 HA LEU 17 HA LEU 17 25.590 -7.750 3.652 112 1HB LEU 17 HB2 LEU 17 24.132 -7.917 5.327 113 2HB LEU 17 HB1 LEU 17 24.639 -9.584 5.520 114 HG LEU 17 HG LEU 17 26.521 -8.086 6.955 115 1HD1 LEU 17 HD11 LEU 17 23.856 -6.819 6.960 116 2HD1 LEU 17 HD12 LEU 17 25.443 -6.132 7.310 117 3HD1 LEU 17 HD13 LEU 17 24.599 -7.073 8.539 118 1HD2 LEU 17 HD21 LEU 17 24.242 -9.217 8.440 119 2HD2 LEU 17 HD22 LEU 17 25.973 -9.533 8.597 120 3HD2 LEU 17 HD23 LEU 17 25.044 -10.316 7.318 121 H ASN 18 HN ASN 18 27.999 -9.432 5.623 122 HA ASN 18 HA ASN 18 29.130 -7.080 6.737 123 1HB ASN 18 HB2 ASN 18 29.386 -9.515 7.534 124 2HB ASN 18 HB1 ASN 18 30.663 -9.637 6.327 125 1HD2 ASN 18 HD21 ASN 18 32.524 -9.590 7.359 126 2HD2 ASN 18 HD22 ASN 18 32.962 -8.461 8.599 127 H ARG 19 HN ARG 19 29.833 -8.968 3.830 128 HA ARG 19 HA ARG 19 32.251 -7.617 3.217 129 1HB ARG 19 HB2 ARG 19 30.496 -9.530 1.915 130 2HB ARG 19 HB1 ARG 19 31.172 -8.375 0.771 131 1HG ARG 19 HG2 ARG 19 32.825 -9.927 0.720 132 2HG ARG 19 HG1 ARG 19 33.407 -8.962 2.074 133 1HD ARG 19 HD2 ARG 19 33.349 -10.762 3.362 134 2HD ARG 19 HD1 ARG 19 31.606 -10.857 3.128 135 HE ARG 19 HE ARG 19 33.601 -12.549 1.961 136 1HH1 ARG 19 HH11 ARG 19 30.414 -11.203 1.470 137 2HH1 ARG 19 HH12 ARG 19 29.899 -12.449 0.377 138 1HH2 ARG 19 HH21 ARG 19 32.946 -14.213 0.563 139 2HH2 ARG 19 HH22 ARG 19 31.351 -14.190 -0.128 140 H TYR 20 HN TYR 20 28.920 -7.096 2.030 141 HA TYR 20 HA TYR 20 29.581 -4.769 0.539 142 1HB TYR 20 HB2 TYR 20 27.501 -5.074 -0.219 143 2HB TYR 20 HB1 TYR 20 27.295 -6.377 0.938 144 HD1 TYR 20 HD1 TYR 20 26.254 -3.097 -0.057 145 HD2 TYR 20 HD2 TYR 20 26.327 -5.802 3.227 146 HE1 TYR 20 HE1 TYR 20 24.432 -1.840 1.013 147 HE2 TYR 20 HE2 TYR 20 24.513 -4.540 4.314 148 HH TYR 20 HH TYR 20 22.891 -1.869 2.653 149 H TYR 21 HN TYR 21 28.762 -5.367 3.839 150 HA TYR 21 HA TYR 21 28.099 -2.815 4.744 151 1HB TYR 21 HB2 TYR 21 28.275 -5.228 5.903 152 2HB TYR 21 HB1 TYR 21 29.782 -4.534 6.486 153 HD1 TYR 21 HD1 TYR 21 26.124 -4.115 6.440 154 HD2 TYR 21 HD2 TYR 21 29.800 -2.916 8.191 155 HE1 TYR 21 HE1 TYR 21 24.885 -2.969 8.214 156 HE2 TYR 21 HE2 TYR 21 28.590 -1.769 9.976 157 HH TYR 21 HH TYR 21 25.095 -2.070 10.325 158 H ALA 22 HN ALA 22 31.254 -4.439 4.936 159 HA ALA 22 HA ALA 22 32.579 -2.077 5.812 160 1HB ALA 22 HB1 ALA 22 33.602 -4.740 4.877 161 2HB ALA 22 HB2 ALA 22 33.432 -4.158 6.534 162 3HB ALA 22 HB3 ALA 22 34.646 -3.448 5.467 163 H SER 23 HN SER 23 31.883 -3.428 2.676 164 HA SER 23 HA SER 23 33.691 -1.815 1.201 165 1HB SER 23 HB2 SER 23 30.996 -2.946 0.406 166 2HB SER 23 HB1 SER 23 32.142 -2.210 -0.713 167 HG SER 23 HG SER 23 32.409 -4.602 0.778 168 H LEU 24 HN LEU 24 30.496 -1.266 2.524 169 HA LEU 24 HA LEU 24 30.080 1.328 1.430 170 1HB LEU 24 HB2 LEU 24 28.159 0.104 2.164 171 2HB LEU 24 HB1 LEU 24 28.872 -0.196 3.739 172 HG LEU 24 HG LEU 24 28.788 2.474 3.825 173 1HD1 LEU 24 HD11 LEU 24 27.253 1.847 1.527 174 2HD1 LEU 24 HD12 LEU 24 27.505 3.419 2.289 175 3HD1 LEU 24 HD13 LEU 24 26.149 2.404 2.784 176 1HD2 LEU 24 HD21 LEU 24 27.839 1.435 5.614 177 2HD2 LEU 24 HD22 LEU 24 26.884 0.339 4.613 178 3HD2 LEU 24 HD23 LEU 24 26.380 2.017 4.814 179 H ARG 25 HN ARG 25 31.529 -0.020 4.310 180 HA ARG 25 HA ARG 25 31.939 2.378 5.725 181 1HB ARG 25 HB2 ARG 25 33.458 -0.235 5.737 182 2HB ARG 25 HB1 ARG 25 33.770 1.078 6.866 183 1HG ARG 25 HG2 ARG 25 31.171 -0.404 6.566 184 2HG ARG 25 HG1 ARG 25 32.353 -0.631 7.856 185 1HD ARG 25 HD2 ARG 25 31.042 2.014 7.280 186 2HD ARG 25 HD1 ARG 25 30.369 0.835 8.405 187 HE ARG 25 HE ARG 25 32.990 2.153 8.726 188 1HH1 ARG 25 HH11 ARG 25 30.113 0.693 10.084 189 2HH1 ARG 25 HH12 ARG 25 30.661 0.835 11.728 190 1HH2 ARG 25 HH21 ARG 25 33.696 2.395 10.863 191 2HH2 ARG 25 HH22 ARG 25 32.705 1.818 12.177 192 H HIS 26 HN HIS 26 33.971 0.616 3.400 193 HA HIS 26 HA HIS 26 36.085 2.531 3.444 194 1HB HIS 26 HB2 HIS 26 35.959 0.014 2.550 195 2HB HIS 26 HB1 HIS 26 35.645 0.845 1.030 196 HD1 HIS 26 HD1 HIS 26 38.145 -0.686 0.995 197 HD2 HIS 26 HD2 HIS 26 38.000 3.167 2.556 198 HE1 HIS 26 HE1 HIS 26 40.502 0.180 0.893 199 HE2 HIS 26 HE2 HIS 26 40.424 2.416 2.054 200 H TYR 27 HN TYR 27 33.380 1.919 1.251 201 HA TYR 27 HA TYR 27 33.887 3.912 -0.630 202 1HB TYR 27 HB2 TYR 27 32.244 2.548 -1.412 203 2HB TYR 27 HB1 TYR 27 31.593 2.241 0.190 204 HD1 TYR 27 HD1 TYR 27 31.294 4.208 -2.847 205 HD2 TYR 27 HD2 TYR 27 29.926 3.810 1.164 206 HE1 TYR 27 HE1 TYR 27 29.343 5.608 -3.377 207 HE2 TYR 27 HE2 TYR 27 27.980 5.218 0.649 208 HH TYR 27 HH TYR 27 27.130 6.711 -0.875 209 H LEU 28 HN LEU 28 32.095 4.013 2.427 210 HA LEU 28 HA LEU 28 31.430 6.795 2.171 211 1HB LEU 28 HB2 LEU 28 31.007 4.675 4.095 212 2HB LEU 28 HB1 LEU 28 31.411 6.186 4.887 213 HG LEU 28 HG LEU 28 29.391 6.456 2.784 214 1HD1 LEU 28 HD11 LEU 28 28.812 4.826 5.248 215 2HD1 LEU 28 HD12 LEU 28 28.732 4.274 3.571 216 3HD1 LEU 28 HD13 LEU 28 27.594 5.491 4.159 217 1HD2 LEU 28 HD21 LEU 28 30.280 7.937 4.887 218 2HD2 LEU 28 HD22 LEU 28 28.811 7.227 5.552 219 3HD2 LEU 28 HD23 LEU 28 28.736 8.179 4.068 220 H ASN 29 HN ASN 29 34.113 5.025 3.534 221 HA ASN 29 HA ASN 29 35.160 6.993 5.228 222 1HB ASN 29 HB2 ASN 29 36.184 5.005 5.665 223 2HB ASN 29 HB1 ASN 29 36.173 4.504 3.980 224 1HD2 ASN 29 HD21 ASN 29 37.870 6.346 6.412 225 2HD2 ASN 29 HD22 ASN 29 39.375 6.442 5.564 226 H LEU 30 HN LEU 30 35.875 6.326 1.802 227 HA LEU 30 HA LEU 30 37.735 8.545 1.708 228 1HB LEU 30 HB2 LEU 30 37.802 8.019 -0.751 229 2HB LEU 30 HB1 LEU 30 38.312 6.729 0.319 230 HG LEU 30 HG LEU 30 35.664 6.133 -0.025 231 1HD1 LEU 30 HD11 LEU 30 36.520 6.738 -2.802 232 2HD1 LEU 30 HD12 LEU 30 35.886 8.068 -1.830 233 3HD1 LEU 30 HD13 LEU 30 34.899 6.633 -2.113 234 1HD2 LEU 30 HD21 LEU 30 38.065 5.249 -1.622 235 2HD2 LEU 30 HD22 LEU 30 36.509 4.421 -1.621 236 3HD2 LEU 30 HD23 LEU 30 37.449 4.527 -0.132 237 H VAL 31 HN VAL 31 34.390 8.140 1.412 238 HA VAL 31 HA VAL 31 33.935 10.281 -0.456 239 HB VAL 31 HB VAL 31 32.375 8.177 0.702 240 1HG1 VAL 31 HG11 VAL 31 31.159 10.916 0.994 241 2HG1 VAL 31 HG12 VAL 31 31.374 9.689 2.242 242 3HG1 VAL 31 HG13 VAL 31 30.218 9.424 0.938 243 1HG2 VAL 31 HG21 VAL 31 32.566 9.729 -1.688 244 2HG2 VAL 31 HG22 VAL 31 30.873 9.575 -1.219 245 3HG2 VAL 31 HG23 VAL 31 31.859 8.130 -1.450 246 H THR 32 HN THR 32 34.246 9.958 2.988 247 HA THR 32 HA THR 32 32.930 12.433 3.620 248 HB THR 32 HB THR 32 34.646 11.768 5.752 249 HG1 THR 32 HG1 THR 32 33.389 9.450 4.650 250 1HG2 THR 32 HG21 THR 32 31.741 11.045 5.347 251 2HG2 THR 32 HG22 THR 32 32.329 12.617 5.890 252 3HG2 THR 32 HG23 THR 32 32.578 11.187 6.892 253 H ARG 33 HN ARG 33 35.972 11.629 2.382 254 HA ARG 33 HA ARG 33 37.256 13.999 3.492 255 1HB ARG 33 HB2 ARG 33 38.461 11.792 3.329 256 2HB ARG 33 HB1 ARG 33 38.459 12.002 1.584 257 1HG ARG 33 HG2 ARG 33 40.331 13.164 1.750 258 2HG ARG 33 HG1 ARG 33 39.466 14.386 2.681 259 1HD ARG 33 HD2 ARG 33 40.137 13.481 4.721 260 2HD ARG 33 HD1 ARG 33 40.522 11.914 4.007 261 HE ARG 33 HE ARG 33 42.481 12.934 3.006 262 1HH1 ARG 33 HH11 ARG 33 40.927 14.723 5.604 263 2HH1 ARG 33 HH12 ARG 33 42.324 15.707 5.913 264 1HH2 ARG 33 HH21 ARG 33 44.293 14.267 3.414 265 2HH2 ARG 33 HH22 ARG 33 44.220 15.461 4.677 266 H GLN 34 HN GLN 34 35.038 14.398 1.746 267 HA GLN 34 HA GLN 34 36.156 15.510 -0.673 268 1HB GLN 34 HB2 GLN 34 33.644 14.797 -0.061 269 2HB GLN 34 HB1 GLN 34 33.555 16.488 0.410 270 1HG GLN 34 HG2 GLN 34 34.394 17.083 -1.871 271 2HG GLN 34 HG1 GLN 34 34.224 15.383 -2.303 272 1HE2 GLN 34 HE21 GLN 34 32.651 18.377 -1.964 273 2HE2 GLN 34 HE22 GLN 34 31.040 17.828 -2.291 274 H ARG 35 HN ARG 35 37.821 16.369 1.010 275 HA ARG 35 HA ARG 35 36.913 18.835 2.305 276 1HB ARG 35 HB2 ARG 35 38.434 16.619 3.194 277 2HB ARG 35 HB1 ARG 35 39.536 17.994 3.120 278 1HG ARG 35 HG2 ARG 35 38.674 18.878 4.962 279 2HG ARG 35 HG1 ARG 35 37.032 18.754 4.326 280 1HD ARG 35 HD2 ARG 35 37.907 16.140 4.996 281 2HD ARG 35 HD1 ARG 35 38.287 17.197 6.355 282 HE ARG 35 HE ARG 35 35.703 16.309 5.542 283 1HH1 ARG 35 HH11 ARG 35 37.389 19.010 7.010 284 2HH1 ARG 35 HH12 ARG 35 35.992 19.583 7.871 285 1HH2 ARG 35 HH21 ARG 35 33.859 17.058 6.678 286 2HH2 ARG 35 HH22 ARG 35 33.991 18.482 7.677 287 H TYR 36 HN TYR 36 37.682 20.736 1.684 288 HA TYR 36 HA TYR 36 39.866 20.759 -0.292 289 1HB TYR 36 HB2 TYR 36 38.100 23.135 0.101 290 2HB TYR 36 HB1 TYR 36 38.887 22.556 -1.358 291 HD1 TYR 36 HD1 TYR 36 35.827 22.777 0.403 292 HD2 TYR 36 HD2 TYR 36 37.941 20.353 -2.379 293 HE1 TYR 36 HE1 TYR 36 33.705 21.789 -0.343 294 HE2 TYR 36 HE2 TYR 36 35.821 19.358 -3.130 295 HH TYR 36 HH TYR 36 32.918 20.666 -2.623 296 1HN NH2 37 H1 NH2 37 41.962 22.687 1.705 297 2HN NH2 37 H2 NH2 37 41.753 21.625 0.356 Start of MODEL 16 1 1H TYR 1 HT1 TYR 1 30.258 -1.950 -9.609 2 2H TYR 1 HT2 TYR 1 31.412 -1.610 -8.422 3 3H TYR 1 HT3 TYR 1 30.254 -0.449 -8.834 4 HA TYR 1 HA TYR 1 28.502 -1.964 -8.073 5 1HB TYR 1 HB2 TYR 1 30.912 -3.578 -7.257 6 2HB TYR 1 HB1 TYR 1 29.362 -3.764 -6.443 7 HD1 TYR 1 HD1 TYR 1 27.407 -3.659 -8.555 8 HD2 TYR 1 HD2 TYR 1 31.274 -5.428 -8.585 9 HE1 TYR 1 HE1 TYR 1 26.676 -5.212 -10.315 10 HE2 TYR 1 HE2 TYR 1 30.556 -6.987 -10.347 11 HH TYR 1 HH TYR 1 27.261 -7.374 -11.235 12 HA PRO 2 HA PRO 2 30.031 -0.427 -3.827 13 1HB PRO 2 HB2 PRO 2 32.570 0.375 -3.452 14 2HB PRO 2 HB1 PRO 2 32.095 -1.323 -3.310 15 1HG PRO 2 HG2 PRO 2 33.415 0.095 -5.587 16 2HG PRO 2 HG1 PRO 2 33.767 -1.504 -4.907 17 1HD PRO 2 HD2 PRO 2 32.284 -1.123 -7.171 18 2HD PRO 2 HD1 PRO 2 32.088 -2.518 -6.092 19 H ILE 3 HN ILE 3 28.705 1.207 -5.038 20 HA ILE 3 HA ILE 3 30.172 3.755 -5.098 21 HB ILE 3 HB ILE 3 29.387 3.183 -7.335 22 1HG1 ILE 3 HG12 ILE 3 27.502 5.255 -7.176 23 2HG1 ILE 3 HG11 ILE 3 28.650 5.562 -5.878 24 1HG2 ILE 3 HG21 ILE 3 27.254 2.049 -6.105 25 2HG2 ILE 3 HG22 ILE 3 27.359 2.387 -7.836 26 3HG2 ILE 3 HG23 ILE 3 26.545 3.525 -6.758 27 1HD1 ILE 3 HD11 ILE 3 30.477 5.360 -7.556 28 2HD1 ILE 3 HD12 ILE 3 29.388 6.724 -7.813 29 3HD1 ILE 3 HD13 ILE 3 29.239 5.272 -8.807 30 H LYS 4 HN LYS 4 27.091 2.201 -4.314 31 HA LYS 4 HA LYS 4 26.861 3.454 -1.831 32 1HB LYS 4 HB2 LYS 4 26.274 5.329 -3.625 33 2HB LYS 4 HB1 LYS 4 24.706 4.532 -3.595 34 1HG LYS 4 HG2 LYS 4 25.816 5.090 -0.946 35 2HG LYS 4 HG1 LYS 4 25.480 6.525 -1.916 36 1HD LYS 4 HD2 LYS 4 23.293 6.312 -1.584 37 2HD LYS 4 HD1 LYS 4 23.321 4.637 -2.133 38 1HE LYS 4 HE2 LYS 4 24.492 4.721 0.448 39 2HE LYS 4 HE1 LYS 4 22.997 5.652 0.510 40 1HZ LYS 4 HZ1 LYS 4 23.371 2.804 -0.162 41 2HZ LYS 4 HZ2 LYS 4 21.988 3.632 -0.680 42 3HZ LYS 4 HZ3 LYS 4 22.328 3.494 0.980 43 HA PRO 5 HA PRO 5 24.165 -0.241 -2.798 44 1HB PRO 5 HB2 PRO 5 25.010 -1.744 -0.686 45 2HB PRO 5 HB1 PRO 5 25.793 -1.768 -2.267 46 1HG PRO 5 HG2 PRO 5 26.589 -0.324 0.224 47 2HG PRO 5 HG1 PRO 5 27.608 -1.163 -0.960 48 1HD PRO 5 HD2 PRO 5 27.325 1.539 -0.904 49 2HD PRO 5 HD1 PRO 5 27.638 0.635 -2.396 50 H GLU 6 HN GLU 6 22.223 -0.657 -1.833 51 HA GLU 6 HA GLU 6 21.538 0.970 0.502 52 1HB GLU 6 HB2 GLU 6 19.555 -0.593 -1.123 53 2HB GLU 6 HB1 GLU 6 19.308 0.881 -0.198 54 1HG GLU 6 HG2 GLU 6 21.199 1.092 -2.438 55 2HG GLU 6 HG1 GLU 6 19.517 0.791 -2.877 56 H ALA 7 HN ALA 7 21.666 -2.325 -0.633 57 HA ALA 7 HA ALA 7 21.384 -3.354 2.053 58 1HB ALA 7 HB1 ALA 7 19.167 -3.695 1.809 59 2HB ALA 7 HB2 ALA 7 19.643 -5.028 0.759 60 3HB ALA 7 HB3 ALA 7 19.229 -3.462 0.062 61 HA PRO 8 HA PRO 8 23.995 -6.623 0.421 62 1HB PRO 8 HB2 PRO 8 22.100 -8.756 1.191 63 2HB PRO 8 HB1 PRO 8 23.763 -8.481 1.723 64 1HG PRO 8 HG2 PRO 8 21.693 -8.018 3.351 65 2HG PRO 8 HG1 PRO 8 23.131 -6.978 3.364 66 1HD PRO 8 HD2 PRO 8 20.459 -6.504 2.099 67 2HD PRO 8 HD1 PRO 8 21.490 -5.377 3.003 68 H GLY 9 HN GLY 9 23.013 -9.261 -0.462 69 1HA GLY 9 HA2 GLY 9 22.367 -8.395 -3.174 70 2HA GLY 9 HA1 GLY 9 22.997 -9.972 -2.707 71 H GLU 10 HN GLU 10 21.355 -10.904 -0.880 72 HA GLU 10 HA GLU 10 18.603 -10.426 -1.289 73 1HB GLU 10 HB2 GLU 10 19.880 -12.366 -3.072 74 2HB GLU 10 HB1 GLU 10 18.540 -13.053 -2.166 75 1HG GLU 10 HG2 GLU 10 18.537 -10.874 -4.199 76 2HG GLU 10 HG1 GLU 10 17.530 -12.315 -4.099 77 H ASP 11 HN ASP 11 21.163 -12.566 -0.263 78 HA ASP 11 HA ASP 11 19.419 -14.049 1.518 79 1HB ASP 11 HB2 ASP 11 21.250 -15.149 0.215 80 2HB ASP 11 HB1 ASP 11 22.415 -14.258 1.187 81 H ALA 12 HN ALA 12 22.149 -11.821 1.733 82 HA ALA 12 HA ALA 12 22.947 -10.502 3.390 83 1HB ALA 12 HB1 ALA 12 20.651 -11.087 5.196 84 2HB ALA 12 HB2 ALA 12 20.386 -10.137 3.734 85 3HB ALA 12 HB3 ALA 12 21.538 -9.583 4.951 86 H SER 13 HN SER 13 23.473 -13.366 3.252 87 HA SER 13 HA SER 13 23.851 -14.499 5.784 88 1HB SER 13 HB2 SER 13 25.060 -14.836 3.082 89 2HB SER 13 HB1 SER 13 25.955 -15.499 4.449 90 HG SER 13 HG SER 13 23.205 -16.024 3.919 91 HA PRO 14 HA PRO 14 27.112 -12.519 8.018 92 1HB PRO 14 HB2 PRO 14 29.205 -14.424 7.503 93 2HB PRO 14 HB1 PRO 14 28.270 -14.186 8.980 94 1HG PRO 14 HG2 PRO 14 27.909 -16.165 6.833 95 2HG PRO 14 HG1 PRO 14 27.348 -16.211 8.512 96 1HD PRO 14 HD2 PRO 14 25.663 -15.850 6.433 97 2HD PRO 14 HD1 PRO 14 25.389 -15.093 8.016 98 H GLU 15 HN GLU 15 28.499 -14.020 5.066 99 HA GLU 15 HA GLU 15 30.416 -11.854 4.851 100 1HB GLU 15 HB2 GLU 15 31.167 -13.067 2.787 101 2HB GLU 15 HB1 GLU 15 31.263 -14.007 4.268 102 1HG GLU 15 HG2 GLU 15 28.812 -14.235 2.610 103 2HG GLU 15 HG1 GLU 15 30.288 -15.025 2.055 104 H GLU 16 HN GLU 16 27.325 -12.614 3.643 105 HA GLU 16 HA GLU 16 27.413 -11.072 1.248 106 1HB GLU 16 HB2 GLU 16 25.560 -12.783 2.561 107 2HB GLU 16 HB1 GLU 16 24.765 -11.233 2.322 108 1HG GLU 16 HG2 GLU 16 26.217 -12.285 -0.007 109 2HG GLU 16 HG1 GLU 16 24.803 -13.207 0.502 110 H LEU 17 HN LEU 17 26.027 -10.552 4.481 111 HA LEU 17 HA LEU 17 25.381 -7.834 4.004 112 1HB LEU 17 HB2 LEU 17 24.761 -7.678 6.232 113 2HB LEU 17 HB1 LEU 17 24.479 -9.367 5.862 114 HG LEU 17 HG LEU 17 27.088 -9.304 6.855 115 1HD1 LEU 17 HD11 LEU 17 26.288 -6.929 7.607 116 2HD1 LEU 17 HD12 LEU 17 27.181 -7.968 8.718 117 3HD1 LEU 17 HD13 LEU 17 25.427 -7.836 8.852 118 1HD2 LEU 17 HD21 LEU 17 25.068 -10.896 7.182 119 2HD2 LEU 17 HD22 LEU 17 24.715 -9.885 8.586 120 3HD2 LEU 17 HD23 LEU 17 26.257 -10.734 8.474 121 H ASN 18 HN ASN 18 28.178 -9.468 5.427 122 HA ASN 18 HA ASN 18 29.648 -7.200 6.142 123 1HB ASN 18 HB2 ASN 18 30.690 -9.059 6.958 124 2HB ASN 18 HB1 ASN 18 30.246 -10.046 5.573 125 1HD2 ASN 18 HD21 ASN 18 31.772 -10.499 4.119 126 2HD2 ASN 18 HD22 ASN 18 33.336 -9.766 4.043 127 H ARG 19 HN ARG 19 29.373 -8.904 3.050 128 HA ARG 19 HA ARG 19 31.322 -7.513 1.618 129 1HB ARG 19 HB2 ARG 19 29.146 -9.266 1.009 130 2HB ARG 19 HB1 ARG 19 29.108 -7.913 -0.111 131 1HG ARG 19 HG2 ARG 19 30.940 -10.170 0.042 132 2HG ARG 19 HG1 ARG 19 30.544 -9.119 -1.315 133 1HD ARG 19 HD2 ARG 19 32.371 -8.286 0.925 134 2HD ARG 19 HD1 ARG 19 32.950 -9.105 -0.521 135 HE ARG 19 HE ARG 19 32.332 -6.359 -0.272 136 1HH1 ARG 19 HH11 ARG 19 32.064 -9.005 -2.555 137 2HH1 ARG 19 HH12 ARG 19 32.076 -7.974 -3.953 138 1HH2 ARG 19 HH21 ARG 19 32.387 -5.005 -2.093 139 2HH2 ARG 19 HH22 ARG 19 32.301 -5.697 -3.684 140 H TYR 20 HN TYR 20 27.816 -6.843 1.600 141 HA TYR 20 HA TYR 20 28.081 -4.393 0.226 142 1HB TYR 20 HB2 TYR 20 25.861 -4.591 0.104 143 2HB TYR 20 HB1 TYR 20 25.967 -6.013 1.126 144 HD1 TYR 20 HD1 TYR 20 25.497 -5.824 3.552 145 HD2 TYR 20 HD2 TYR 20 25.007 -2.508 0.938 146 HE1 TYR 20 HE1 TYR 20 24.127 -4.692 5.255 147 HE2 TYR 20 HE2 TYR 20 23.639 -1.367 2.633 148 HH TYR 20 HH TYR 20 22.630 -1.543 4.604 149 H TYR 21 HN TYR 21 28.052 -5.186 3.633 150 HA TYR 21 HA TYR 21 27.702 -2.596 4.663 151 1HB TYR 21 HB2 TYR 21 27.668 -4.996 5.778 152 2HB TYR 21 HB1 TYR 21 29.345 -4.600 6.140 153 HD1 TYR 21 HD1 TYR 21 25.864 -3.862 6.846 154 HD2 TYR 21 HD2 TYR 21 29.884 -2.759 7.627 155 HE1 TYR 21 HE1 TYR 21 25.115 -2.550 8.773 156 HE2 TYR 21 HE2 TYR 21 29.165 -1.444 9.562 157 HH TYR 21 HH TYR 21 26.320 -1.750 11.044 158 H ALA 22 HN ALA 22 30.692 -4.523 4.414 159 HA ALA 22 HA ALA 22 32.311 -2.402 5.356 160 1HB ALA 22 HB1 ALA 22 32.967 -5.011 4.024 161 2HB ALA 22 HB2 ALA 22 33.105 -4.581 5.731 162 3HB ALA 22 HB3 ALA 22 34.203 -3.866 4.547 163 H SER 23 HN SER 23 31.351 -3.446 2.133 164 HA SER 23 HA SER 23 33.224 -1.870 0.724 165 1HB SER 23 HB2 SER 23 30.453 -2.670 -0.197 166 2HB SER 23 HB1 SER 23 31.793 -2.159 -1.222 167 HG SER 23 HG SER 23 31.525 -4.530 0.295 168 H LEU 24 HN LEU 24 29.961 -1.182 1.916 169 HA LEU 24 HA LEU 24 29.856 1.426 0.769 170 1HB LEU 24 HB2 LEU 24 27.735 0.649 1.054 171 2HB LEU 24 HB1 LEU 24 28.138 -0.256 2.498 172 HG LEU 24 HG LEU 24 28.362 2.426 3.256 173 1HD1 LEU 24 HD11 LEU 24 26.351 2.070 1.148 174 2HD1 LEU 24 HD12 LEU 24 27.155 3.532 1.723 175 3HD1 LEU 24 HD13 LEU 24 25.778 2.873 2.610 176 1HD2 LEU 24 HD21 LEU 24 25.918 0.753 3.691 177 2HD2 LEU 24 HD22 LEU 24 26.692 1.894 4.790 178 3HD2 LEU 24 HD23 LEU 24 27.463 0.348 4.438 179 H ARG 25 HN ARG 25 30.532 0.091 3.979 180 HA ARG 25 HA ARG 25 30.727 2.579 5.295 181 1HB ARG 25 HB2 ARG 25 30.988 -0.150 5.994 182 2HB ARG 25 HB1 ARG 25 32.463 0.653 6.513 183 1HG ARG 25 HG2 ARG 25 30.576 0.531 8.195 184 2HG ARG 25 HG1 ARG 25 31.300 2.116 7.932 185 1HD ARG 25 HD2 ARG 25 29.348 2.973 7.296 186 2HD ARG 25 HD1 ARG 25 29.121 1.694 6.102 187 HE ARG 25 HE ARG 25 28.504 0.546 8.519 188 1HH1 ARG 25 HH11 ARG 25 27.350 3.334 6.747 189 2HH1 ARG 25 HH12 ARG 25 25.720 3.198 7.344 190 1HH2 ARG 25 HH21 ARG 25 26.358 0.386 9.335 191 2HH2 ARG 25 HH22 ARG 25 25.171 1.550 8.829 192 H HIS 26 HN HIS 26 33.176 0.511 3.763 193 HA HIS 26 HA HIS 26 35.352 2.227 4.446 194 1HB HIS 26 HB2 HIS 26 35.041 -0.313 3.216 195 2HB HIS 26 HB1 HIS 26 35.942 0.704 2.097 196 HD1 HIS 26 HD1 HIS 26 36.122 -0.677 5.606 197 HD2 HIS 26 HD2 HIS 26 38.561 1.179 2.790 198 HE1 HIS 26 HE1 HIS 26 38.458 -0.826 6.526 199 HE2 HIS 26 HE2 HIS 26 39.893 0.422 4.877 200 H TYR 27 HN TYR 27 33.394 1.754 1.519 201 HA TYR 27 HA TYR 27 34.684 3.629 -0.110 202 1HB TYR 27 HB2 TYR 27 32.882 1.948 -0.782 203 2HB TYR 27 HB1 TYR 27 31.708 3.097 -0.154 204 HD1 TYR 27 HD1 TYR 27 34.742 3.306 -2.336 205 HD2 TYR 27 HD2 TYR 27 30.625 4.261 -1.821 206 HE1 TYR 27 HE1 TYR 27 34.745 4.467 -4.500 207 HE2 TYR 27 HE2 TYR 27 30.613 5.424 -3.971 208 HH TYR 27 HH TYR 27 32.161 6.488 -5.508 209 H LEU 28 HN LEU 28 31.828 4.012 1.994 210 HA LEU 28 HA LEU 28 31.457 6.754 1.482 211 1HB LEU 28 HB2 LEU 28 30.686 4.982 3.772 212 2HB LEU 28 HB1 LEU 28 30.363 6.703 3.836 213 HG LEU 28 HG LEU 28 28.964 4.585 2.390 214 1HD1 LEU 28 HD11 LEU 28 28.422 6.940 3.916 215 2HD1 LEU 28 HD12 LEU 28 27.339 5.617 3.472 216 3HD1 LEU 28 HD13 LEU 28 27.536 6.997 2.390 217 1HD2 LEU 28 HD21 LEU 28 30.188 6.725 0.842 218 2HD2 LEU 28 HD22 LEU 28 28.434 6.692 0.689 219 3HD2 LEU 28 HD23 LEU 28 29.380 5.254 0.299 220 H ASN 29 HN ASN 29 33.387 5.133 3.968 221 HA ASN 29 HA ASN 29 34.135 7.473 5.368 222 1HB ASN 29 HB2 ASN 29 34.323 5.083 6.189 223 2HB ASN 29 HB1 ASN 29 35.760 4.937 5.183 224 1HD2 ASN 29 HD21 ASN 29 34.344 6.821 7.814 225 2HD2 ASN 29 HD22 ASN 29 35.846 7.202 8.587 226 H LEU 30 HN LEU 30 35.613 5.723 2.681 227 HA LEU 30 HA LEU 30 37.956 7.304 2.514 228 1HB LEU 30 HB2 LEU 30 36.538 5.393 0.732 229 2HB LEU 30 HB1 LEU 30 37.681 6.488 -0.021 230 HG LEU 30 HG LEU 30 38.543 4.897 2.358 231 1HD1 LEU 30 HD11 LEU 30 38.198 3.874 -0.447 232 2HD1 LEU 30 HD12 LEU 30 37.618 3.163 1.060 233 3HD1 LEU 30 HD13 LEU 30 39.342 3.163 0.691 234 1HD2 LEU 30 HD21 LEU 30 40.652 5.387 1.660 235 2HD2 LEU 30 HD22 LEU 30 39.810 6.780 0.980 236 3HD2 LEU 30 HD23 LEU 30 40.206 5.401 -0.046 237 H VAL 31 HN VAL 31 34.723 7.603 1.207 238 HA VAL 31 HA VAL 31 35.232 9.729 -0.591 239 HB VAL 31 HB VAL 31 32.732 8.657 0.700 240 1HG1 VAL 31 HG11 VAL 31 31.349 10.213 -0.244 241 2HG1 VAL 31 HG12 VAL 31 32.521 10.664 -1.483 242 3HG1 VAL 31 HG13 VAL 31 32.727 11.231 0.174 243 1HG2 VAL 31 HG21 VAL 31 32.723 7.297 -1.045 244 2HG2 VAL 31 HG22 VAL 31 34.230 8.017 -1.610 245 3HG2 VAL 31 HG23 VAL 31 32.685 8.681 -2.140 246 H THR 32 HN THR 32 34.660 9.599 2.847 247 HA THR 32 HA THR 32 34.025 12.359 3.185 248 HB THR 32 HB THR 32 35.365 11.045 5.454 249 HG1 THR 32 HG1 THR 32 33.299 9.787 4.044 250 1HG2 THR 32 HG21 THR 32 34.038 12.448 6.562 251 2HG2 THR 32 HG22 THR 32 32.599 11.749 5.818 252 3HG2 THR 32 HG23 THR 32 33.467 13.053 5.008 253 H ARG 33 HN ARG 33 36.898 10.717 2.455 254 HA ARG 33 HA ARG 33 38.517 13.022 3.303 255 1HB ARG 33 HB2 ARG 33 39.061 10.509 3.927 256 2HB ARG 33 HB1 ARG 33 39.751 10.489 2.312 257 1HG ARG 33 HG2 ARG 33 41.219 12.334 2.898 258 2HG ARG 33 HG1 ARG 33 40.511 12.392 4.516 259 1HD ARG 33 HD2 ARG 33 41.774 10.697 5.229 260 2HD ARG 33 HD1 ARG 33 41.407 9.727 3.802 261 HE ARG 33 HE ARG 33 43.181 11.279 2.722 262 1HH1 ARG 33 HH11 ARG 33 43.224 10.027 5.989 263 2HH1 ARG 33 HH12 ARG 33 44.957 10.073 6.119 264 1HH2 ARG 33 HH21 ARG 33 45.456 11.341 2.882 265 2HH2 ARG 33 HH22 ARG 33 46.234 10.813 4.345 266 H GLN 34 HN GLN 34 38.716 10.594 0.727 267 HA GLN 34 HA GLN 34 39.110 10.694 -1.489 268 1HB GLN 34 HB2 GLN 34 37.737 13.312 -1.052 269 2HB GLN 34 HB1 GLN 34 38.456 12.969 -2.620 270 1HG GLN 34 HG2 GLN 34 37.135 10.846 -2.659 271 2HG GLN 34 HG1 GLN 34 36.304 11.416 -1.214 272 1HE2 GLN 34 HE21 GLN 34 34.716 12.891 -1.401 273 2HE2 GLN 34 HE22 GLN 34 34.160 13.537 -2.910 274 H ARG 35 HN ARG 35 40.745 12.590 0.670 275 HA ARG 35 HA ARG 35 42.667 13.618 -1.249 276 1HB ARG 35 HB2 ARG 35 42.456 13.836 1.755 277 2HB ARG 35 HB1 ARG 35 43.811 14.475 0.838 278 1HG ARG 35 HG2 ARG 35 40.948 15.362 0.796 279 2HG ARG 35 HG1 ARG 35 42.380 16.296 1.222 280 1HD ARG 35 HD2 ARG 35 41.857 15.197 -1.537 281 2HD ARG 35 HD1 ARG 35 41.393 16.818 -1.027 282 HE ARG 35 HE ARG 35 44.173 16.228 -0.597 283 1HH1 ARG 35 HH11 ARG 35 41.802 17.404 -2.890 284 2HH1 ARG 35 HH12 ARG 35 42.968 18.280 -3.841 285 1HH2 ARG 35 HH21 ARG 35 45.712 17.371 -1.835 286 2HH2 ARG 35 HH22 ARG 35 45.198 18.239 -3.251 287 H TYR 36 HN TYR 36 43.617 11.809 -2.082 288 HA TYR 36 HA TYR 36 45.512 10.440 -0.353 289 1HB TYR 36 HB2 TYR 36 43.130 9.170 -1.543 290 2HB TYR 36 HB1 TYR 36 44.638 8.313 -1.836 291 HD1 TYR 36 HD1 TYR 36 46.099 7.809 0.246 292 HD2 TYR 36 HD2 TYR 36 41.979 8.853 0.448 293 HE1 TYR 36 HE1 TYR 36 45.964 6.803 2.487 294 HE2 TYR 36 HE2 TYR 36 41.830 7.855 2.689 295 HH TYR 36 HH TYR 36 44.527 7.063 4.542 296 1HN NH2 37 H1 NH2 37 47.476 9.814 -3.267 297 2HN NH2 37 H2 NH2 37 47.155 9.258 -1.664 Start of MODEL 17 1 1H TYR 1 HT1 TYR 1 37.126 -3.810 -5.489 2 2H TYR 1 HT2 TYR 1 35.745 -4.764 -5.706 3 3H TYR 1 HT3 TYR 1 36.881 -5.181 -4.525 4 HA TYR 1 HA TYR 1 35.394 -4.194 -3.182 5 1HB TYR 1 HB2 TYR 1 35.923 -1.527 -3.373 6 2HB TYR 1 HB1 TYR 1 36.945 -2.679 -2.526 7 HD1 TYR 1 HD1 TYR 1 39.195 -2.721 -3.030 8 HD2 TYR 1 HD2 TYR 1 36.476 -1.249 -5.960 9 HE1 TYR 1 HE1 TYR 1 41.086 -2.120 -4.481 10 HE2 TYR 1 HE2 TYR 1 38.365 -0.646 -7.415 11 HH TYR 1 HH TYR 1 41.378 -1.822 -7.081 12 HA PRO 2 HA PRO 2 31.662 -2.742 -5.041 13 1HB PRO 2 HB2 PRO 2 30.648 -1.095 -3.116 14 2HB PRO 2 HB1 PRO 2 30.621 -2.859 -2.994 15 1HG PRO 2 HG2 PRO 2 32.532 -0.902 -1.777 16 2HG PRO 2 HG1 PRO 2 31.767 -2.324 -1.042 17 1HD PRO 2 HD2 PRO 2 34.306 -2.382 -1.935 18 2HD PRO 2 HD1 PRO 2 33.239 -3.797 -2.054 19 H ILE 3 HN ILE 3 31.171 -1.220 -6.484 20 HA ILE 3 HA ILE 3 32.562 1.376 -6.327 21 HB ILE 3 HB ILE 3 31.034 0.795 -8.758 22 1HG1 ILE 3 HG12 ILE 3 33.364 -0.954 -7.968 23 2HG1 ILE 3 HG11 ILE 3 31.752 -1.453 -8.476 24 1HG2 ILE 3 HG21 ILE 3 33.363 2.227 -7.871 25 2HG2 ILE 3 HG22 ILE 3 32.326 2.494 -9.270 26 3HG2 ILE 3 HG23 ILE 3 33.668 1.354 -9.373 27 1HD1 ILE 3 HD11 ILE 3 32.216 -0.614 -10.727 28 2HD1 ILE 3 HD12 ILE 3 33.369 -1.851 -10.232 29 3HD1 ILE 3 HD13 ILE 3 33.838 -0.153 -10.213 30 H LYS 4 HN LYS 4 29.507 -0.108 -7.114 31 HA LYS 4 HA LYS 4 28.129 2.263 -6.057 32 1HB LYS 4 HB2 LYS 4 28.079 1.190 -8.726 33 2HB LYS 4 HB1 LYS 4 26.470 1.100 -8.016 34 1HG LYS 4 HG2 LYS 4 28.147 3.600 -8.126 35 2HG LYS 4 HG1 LYS 4 26.895 3.182 -9.298 36 1HD LYS 4 HD2 LYS 4 25.825 2.940 -6.657 37 2HD LYS 4 HD1 LYS 4 26.600 4.517 -6.824 38 1HE LYS 4 HE2 LYS 4 24.456 4.943 -7.573 39 2HE LYS 4 HE1 LYS 4 25.328 4.632 -9.074 40 1HZ LYS 4 HZ1 LYS 4 23.163 3.493 -8.935 41 2HZ LYS 4 HZ2 LYS 4 23.725 2.598 -7.613 42 3HZ LYS 4 HZ3 LYS 4 24.456 2.420 -9.137 43 HA PRO 5 HA PRO 5 26.676 -1.527 -3.892 44 1HB PRO 5 HB2 PRO 5 26.620 0.117 -1.507 45 2HB PRO 5 HB1 PRO 5 27.617 -1.295 -1.850 46 1HG PRO 5 HG2 PRO 5 28.615 1.236 -1.637 47 2HG PRO 5 HG1 PRO 5 29.365 -0.035 -2.618 48 1HD PRO 5 HD2 PRO 5 27.614 2.237 -3.466 49 2HD PRO 5 HD1 PRO 5 29.062 1.573 -4.255 50 H GLU 6 HN GLU 6 24.581 -1.800 -4.384 51 HA GLU 6 HA GLU 6 22.655 0.209 -3.425 52 1HB GLU 6 HB2 GLU 6 22.963 -0.949 -5.982 53 2HB GLU 6 HB1 GLU 6 21.504 -1.653 -5.295 54 1HG GLU 6 HG2 GLU 6 20.460 0.160 -6.025 55 2HG GLU 6 HG1 GLU 6 21.238 1.008 -4.689 56 H ALA 7 HN ALA 7 23.880 -2.029 -1.958 57 HA ALA 7 HA ALA 7 23.318 -3.549 -0.373 58 1HB ALA 7 HB1 ALA 7 21.551 -2.265 0.444 59 2HB ALA 7 HB2 ALA 7 20.824 -3.841 0.137 60 3HB ALA 7 HB3 ALA 7 20.574 -2.518 -1.000 61 HA PRO 8 HA PRO 8 22.854 -7.044 -3.088 62 1HB PRO 8 HB2 PRO 8 23.919 -8.752 -1.073 63 2HB PRO 8 HB1 PRO 8 24.785 -8.025 -2.423 64 1HG PRO 8 HG2 PRO 8 25.165 -7.428 0.273 65 2HG PRO 8 HG1 PRO 8 25.726 -6.454 -1.095 66 1HD PRO 8 HD2 PRO 8 23.354 -6.074 0.660 67 2HD PRO 8 HD1 PRO 8 24.381 -4.864 -0.136 68 H GLY 9 HN GLY 9 20.444 -6.630 -2.530 69 1HA GLY 9 HA2 GLY 9 18.462 -7.799 -2.202 70 2HA GLY 9 HA1 GLY 9 19.379 -9.090 -1.436 71 H GLU 10 HN GLU 10 20.034 -5.942 -0.363 72 HA GLU 10 HA GLU 10 19.631 -4.740 1.492 73 1HB GLU 10 HB2 GLU 10 17.084 -5.931 0.876 74 2HB GLU 10 HB1 GLU 10 17.283 -5.779 2.618 75 1HG GLU 10 HG2 GLU 10 17.911 -3.471 0.837 76 2HG GLU 10 HG1 GLU 10 16.238 -3.837 1.262 77 H ASP 11 HN ASP 11 18.019 -7.656 2.689 78 HA ASP 11 HA ASP 11 19.479 -7.672 5.112 79 1HB ASP 11 HB2 ASP 11 17.216 -8.692 4.814 80 2HB ASP 11 HB1 ASP 11 17.953 -9.966 3.848 81 H ALA 12 HN ALA 12 19.749 -9.526 2.133 82 HA ALA 12 HA ALA 12 21.442 -10.655 1.153 83 1HB ALA 12 HB1 ALA 12 23.790 -9.969 2.360 84 2HB ALA 12 HB2 ALA 12 22.765 -8.586 2.742 85 3HB ALA 12 HB3 ALA 12 23.007 -9.066 1.062 86 H SER 13 HN SER 13 23.886 -11.594 2.285 87 HA SER 13 HA SER 13 22.875 -13.591 4.205 88 1HB SER 13 HB2 SER 13 25.125 -14.562 2.682 89 2HB SER 13 HB1 SER 13 23.496 -15.229 2.795 90 HG SER 13 HG SER 13 24.238 -13.061 1.093 91 HA PRO 14 HA PRO 14 26.124 -12.453 7.013 92 1HB PRO 14 HB2 PRO 14 26.589 -15.386 7.284 93 2HB PRO 14 HB1 PRO 14 26.302 -14.171 8.537 94 1HG PRO 14 HG2 PRO 14 24.369 -15.852 7.852 95 2HG PRO 14 HG1 PRO 14 24.001 -14.146 8.164 96 1HD PRO 14 HD2 PRO 14 24.258 -15.579 5.552 97 2HD PRO 14 HD1 PRO 14 23.096 -14.330 6.043 98 H GLU 15 HN GLU 15 28.256 -12.101 6.945 99 HA GLU 15 HA GLU 15 30.434 -12.096 6.336 100 1HB GLU 15 HB2 GLU 15 29.856 -14.780 6.108 101 2HB GLU 15 HB1 GLU 15 30.430 -14.375 4.494 102 1HG GLU 15 HG2 GLU 15 32.047 -15.103 6.499 103 2HG GLU 15 HG1 GLU 15 32.542 -14.052 5.173 104 H GLU 16 HN GLU 16 28.213 -12.992 3.755 105 HA GLU 16 HA GLU 16 29.578 -11.660 1.665 106 1HB GLU 16 HB2 GLU 16 27.882 -13.344 1.219 107 2HB GLU 16 HB1 GLU 16 26.664 -12.372 2.033 108 1HG GLU 16 HG2 GLU 16 27.564 -10.645 0.127 109 2HG GLU 16 HG1 GLU 16 27.702 -12.197 -0.696 110 H LEU 17 HN LEU 17 26.682 -10.773 3.522 111 HA LEU 17 HA LEU 17 26.678 -8.062 2.717 112 1HB LEU 17 HB2 LEU 17 24.710 -8.038 3.767 113 2HB LEU 17 HB1 LEU 17 24.971 -9.727 4.144 114 HG LEU 17 HG LEU 17 26.320 -8.163 6.110 115 1HD1 LEU 17 HD11 LEU 17 23.401 -7.458 5.873 116 2HD1 LEU 17 HD12 LEU 17 24.710 -6.394 5.357 117 3HD1 LEU 17 HD13 LEU 17 24.568 -6.858 7.052 118 1HD2 LEU 17 HD21 LEU 17 23.911 -9.359 7.075 119 2HD2 LEU 17 HD22 LEU 17 25.578 -9.885 7.300 120 3HD2 LEU 17 HD23 LEU 17 24.660 -10.437 5.899 121 H ASN 18 HN ASN 18 28.294 -9.809 5.271 122 HA ASN 18 HA ASN 18 29.012 -7.550 6.847 123 1HB ASN 18 HB2 ASN 18 29.084 -9.742 7.856 124 2HB ASN 18 HB1 ASN 18 30.227 -10.316 6.646 125 1HD2 ASN 18 HD21 ASN 18 32.194 -10.526 7.420 126 2HD2 ASN 18 HD22 ASN 18 32.939 -9.487 8.591 127 H ARG 19 HN ARG 19 30.649 -9.383 4.293 128 HA ARG 19 HA ARG 19 33.085 -7.970 4.341 129 1HB ARG 19 HB2 ARG 19 31.750 -9.881 2.599 130 2HB ARG 19 HB1 ARG 19 32.678 -8.696 1.688 131 1HG ARG 19 HG2 ARG 19 34.512 -9.865 2.103 132 2HG ARG 19 HG1 ARG 19 34.320 -9.508 3.820 133 1HD ARG 19 HD2 ARG 19 33.277 -11.527 4.255 134 2HD ARG 19 HD1 ARG 19 32.772 -11.743 2.579 135 HE ARG 19 HE ARG 19 35.054 -12.336 2.039 136 1HH1 ARG 19 HH11 ARG 19 34.225 -12.271 5.454 137 2HH1 ARG 19 HH12 ARG 19 35.553 -13.300 5.919 138 1HH2 ARG 19 HH21 ARG 19 36.782 -13.674 2.650 139 2HH2 ARG 19 HH22 ARG 19 37.021 -14.079 4.326 140 H TYR 20 HN TYR 20 30.248 -7.583 2.245 141 HA TYR 20 HA TYR 20 31.160 -5.274 0.928 142 1HB TYR 20 HB2 TYR 20 29.386 -5.847 -0.312 143 2HB TYR 20 HB1 TYR 20 28.797 -6.914 0.954 144 HD1 TYR 20 HD1 TYR 20 28.390 -3.734 -0.719 145 HD2 TYR 20 HD2 TYR 20 27.216 -6.041 2.656 146 HE1 TYR 20 HE1 TYR 20 26.468 -2.240 -0.379 147 HE2 TYR 20 HE2 TYR 20 25.288 -4.548 3.013 148 HH TYR 20 HH TYR 20 24.456 -2.439 2.459 149 H TYR 21 HN TYR 21 29.579 -5.781 3.966 150 HA TYR 21 HA TYR 21 28.522 -3.257 4.502 151 1HB TYR 21 HB2 TYR 21 28.540 -5.587 5.824 152 2HB TYR 21 HB1 TYR 21 29.792 -4.752 6.735 153 HD1 TYR 21 HD1 TYR 21 26.280 -4.386 5.559 154 HD2 TYR 21 HD2 TYR 21 29.223 -3.287 8.426 155 HE1 TYR 21 HE1 TYR 21 24.554 -3.241 6.882 156 HE2 TYR 21 HE2 TYR 21 27.520 -2.137 9.753 157 HH TYR 21 HH TYR 21 24.083 -2.234 8.806 158 H ALA 22 HN ALA 22 31.598 -4.587 5.691 159 HA ALA 22 HA ALA 22 32.453 -2.065 6.681 160 1HB ALA 22 HB1 ALA 22 33.249 -4.032 7.738 161 2HB ALA 22 HB2 ALA 22 34.637 -3.223 7.005 162 3HB ALA 22 HB3 ALA 22 33.931 -4.641 6.229 163 H SER 23 HN SER 23 32.866 -3.736 3.633 164 HA SER 23 HA SER 23 34.889 -2.063 2.580 165 1HB SER 23 HB2 SER 23 32.705 -3.570 1.118 166 2HB SER 23 HB1 SER 23 34.170 -2.912 0.388 167 HG SER 23 HG SER 23 33.922 -5.041 2.244 168 H LEU 24 HN LEU 24 31.378 -1.811 2.687 169 HA LEU 24 HA LEU 24 31.186 0.516 1.071 170 1HB LEU 24 HB2 LEU 24 29.205 -0.722 1.189 171 2HB LEU 24 HB1 LEU 24 29.341 -0.961 2.919 172 HG LEU 24 HG LEU 24 29.028 1.848 2.309 173 1HD1 LEU 24 HD11 LEU 24 27.782 1.481 0.423 174 2HD1 LEU 24 HD12 LEU 24 26.531 1.416 1.666 175 3HD1 LEU 24 HD13 LEU 24 27.180 -0.079 0.988 176 1HD2 LEU 24 HD21 LEU 24 27.887 1.761 4.225 177 2HD2 LEU 24 HD22 LEU 24 28.409 0.081 4.326 178 3HD2 LEU 24 HD23 LEU 24 26.832 0.473 3.640 179 H ARG 25 HN ARG 25 31.525 -0.166 4.503 180 HA ARG 25 HA ARG 25 31.185 2.435 5.484 181 1HB ARG 25 HB2 ARG 25 32.257 -0.077 6.452 182 2HB ARG 25 HB1 ARG 25 33.209 1.281 7.030 183 1HG ARG 25 HG2 ARG 25 31.706 1.490 8.648 184 2HG ARG 25 HG1 ARG 25 30.599 2.095 7.416 185 1HD ARG 25 HD2 ARG 25 29.296 0.312 7.639 186 2HD ARG 25 HD1 ARG 25 30.658 -0.763 7.321 187 HE ARG 25 HE ARG 25 31.048 -0.927 9.647 188 1HH1 ARG 25 HH11 ARG 25 28.200 0.967 8.853 189 2HH1 ARG 25 HH12 ARG 25 27.526 0.862 10.459 190 1HH2 ARG 25 HH21 ARG 25 30.135 -1.115 11.732 191 2HH2 ARG 25 HH22 ARG 25 28.616 -0.345 12.088 192 H HIS 26 HN HIS 26 34.077 0.763 4.300 193 HA HIS 26 HA HIS 26 35.807 2.996 4.674 194 1HB HIS 26 HB2 HIS 26 36.327 0.420 4.339 195 2HB HIS 26 HB1 HIS 26 36.415 0.891 2.645 196 HD1 HIS 26 HD1 HIS 26 38.068 1.590 5.966 197 HD2 HIS 26 HD2 HIS 26 38.718 2.181 1.898 198 HE1 HIS 26 HE1 HIS 26 40.433 2.447 5.770 199 HE2 HIS 26 HE2 HIS 26 40.849 2.668 3.288 200 H TYR 27 HN TYR 27 34.169 1.616 1.830 201 HA TYR 27 HA TYR 27 35.185 3.420 -0.056 202 1HB TYR 27 HB2 TYR 27 34.007 1.321 -0.645 203 2HB TYR 27 HB1 TYR 27 32.495 2.034 -0.097 204 HD1 TYR 27 HD1 TYR 27 35.248 3.442 -2.202 205 HD2 TYR 27 HD2 TYR 27 31.153 2.307 -1.968 206 HE1 TYR 27 HE1 TYR 27 34.868 4.375 -4.443 207 HE2 TYR 27 HE2 TYR 27 30.758 3.228 -4.204 208 HH TYR 27 HH TYR 27 31.762 3.982 -6.087 209 H LEU 28 HN LEU 28 32.173 3.527 1.836 210 HA LEU 28 HA LEU 28 31.294 6.013 0.817 211 1HB LEU 28 HB2 LEU 28 30.560 4.224 2.991 212 2HB LEU 28 HB1 LEU 28 30.352 5.909 3.426 213 HG LEU 28 HG LEU 28 28.305 4.817 2.494 214 1HD1 LEU 28 HD11 LEU 28 29.510 7.330 1.673 215 2HD1 LEU 28 HD12 LEU 28 27.863 6.982 2.201 216 3HD1 LEU 28 HD13 LEU 28 28.320 6.735 0.516 217 1HD2 LEU 28 HD21 LEU 28 28.449 3.591 0.653 218 2HD2 LEU 28 HD22 LEU 28 30.139 4.053 0.440 219 3HD2 LEU 28 HD23 LEU 28 28.857 5.042 -0.259 220 H ASN 29 HN ASN 29 33.361 5.192 3.569 221 HA ASN 29 HA ASN 29 33.597 7.764 4.656 222 1HB ASN 29 HB2 ASN 29 34.625 6.454 6.158 223 2HB ASN 29 HB1 ASN 29 34.900 5.191 4.964 224 1HD2 ASN 29 HD21 ASN 29 36.234 7.922 6.618 225 2HD2 ASN 29 HD22 ASN 29 37.865 7.711 6.075 226 H LEU 30 HN LEU 30 35.186 6.242 1.946 227 HA LEU 30 HA LEU 30 37.297 8.086 1.614 228 1HB LEU 30 HB2 LEU 30 35.907 6.278 -0.358 229 2HB LEU 30 HB1 LEU 30 37.344 7.208 -0.740 230 HG LEU 30 HG LEU 30 37.218 5.135 1.450 231 1HD1 LEU 30 HD11 LEU 30 37.082 3.683 -0.260 232 2HD1 LEU 30 HD12 LEU 30 38.800 4.041 -0.450 233 3HD1 LEU 30 HD13 LEU 30 37.607 4.872 -1.453 234 1HD2 LEU 30 HD21 LEU 30 39.099 7.147 0.836 235 2HD2 LEU 30 HD22 LEU 30 39.815 5.610 0.358 236 3HD2 LEU 30 HD23 LEU 30 39.245 5.840 2.012 237 H VAL 31 HN VAL 31 33.927 8.172 0.650 238 HA VAL 31 HA VAL 31 34.439 10.471 -1.070 239 HB VAL 31 HB VAL 31 32.155 10.353 -1.794 240 1HG1 VAL 31 HG11 VAL 31 33.961 8.112 -1.947 241 2HG1 VAL 31 HG12 VAL 31 32.932 8.815 -3.194 242 3HG1 VAL 31 HG13 VAL 31 32.285 7.589 -2.104 243 1HG2 VAL 31 HG21 VAL 31 31.211 7.980 -0.541 244 2HG2 VAL 31 HG22 VAL 31 30.512 9.600 -0.517 245 3HG2 VAL 31 HG23 VAL 31 31.691 9.129 0.708 246 H THR 32 HN THR 32 33.264 9.756 2.114 247 HA THR 32 HA THR 32 31.920 12.203 2.622 248 HB THR 32 HB THR 32 33.386 10.703 4.773 249 HG1 THR 32 HG1 THR 32 31.286 9.804 3.146 250 1HG2 THR 32 HG21 THR 32 30.803 12.236 4.589 251 2HG2 THR 32 HG22 THR 32 32.211 12.584 5.593 252 3HG2 THR 32 HG23 THR 32 31.189 11.193 5.957 253 H ARG 33 HN ARG 33 35.153 11.502 2.087 254 HA ARG 33 HA ARG 33 36.616 13.290 3.589 255 1HB ARG 33 HB2 ARG 33 37.224 11.645 1.596 256 2HB ARG 33 HB1 ARG 33 37.115 13.120 0.646 257 1HG ARG 33 HG2 ARG 33 38.776 14.150 2.192 258 2HG ARG 33 HG1 ARG 33 38.961 12.568 2.955 259 1HD ARG 33 HD2 ARG 33 39.166 12.163 0.176 260 2HD ARG 33 HD1 ARG 33 40.163 13.565 0.555 261 HE ARG 33 HE ARG 33 40.537 11.280 2.294 262 1HH1 ARG 33 HH11 ARG 33 41.576 12.912 -0.624 263 2HH1 ARG 33 HH12 ARG 33 43.176 12.224 -0.593 264 1HH2 ARG 33 HH21 ARG 33 42.610 10.357 2.335 265 2HH2 ARG 33 HH22 ARG 33 43.771 10.764 1.094 266 H GLN 34 HN GLN 34 34.966 13.865 0.523 267 HA GLN 34 HA GLN 34 33.796 16.266 0.920 268 1HB GLN 34 HB2 GLN 34 35.359 17.922 -0.137 269 2HB GLN 34 HB1 GLN 34 35.861 17.378 1.455 270 1HG GLN 34 HG2 GLN 34 37.852 17.258 0.390 271 2HG GLN 34 HG1 GLN 34 37.253 15.644 0.016 272 1HE2 GLN 34 HE21 GLN 34 36.467 18.816 -1.361 273 2HE2 GLN 34 HE22 GLN 34 36.909 18.407 -2.982 274 H ARG 35 HN ARG 35 35.419 14.049 -1.088 275 HA ARG 35 HA ARG 35 34.661 15.213 -3.602 276 1HB ARG 35 HB2 ARG 35 35.686 13.165 -4.563 277 2HB ARG 35 HB1 ARG 35 36.757 14.031 -3.472 278 1HG ARG 35 HG2 ARG 35 36.086 12.393 -1.683 279 2HG ARG 35 HG1 ARG 35 35.281 11.462 -2.948 280 1HD ARG 35 HD2 ARG 35 37.689 11.827 -4.096 281 2HD ARG 35 HD1 ARG 35 38.160 11.831 -2.398 282 HE ARG 35 HE ARG 35 37.664 9.592 -2.270 283 1HH1 ARG 35 HH11 ARG 35 36.476 10.871 -5.313 284 2HH1 ARG 35 HH12 ARG 35 36.149 9.305 -5.983 285 1HH2 ARG 35 HH21 ARG 35 37.237 7.543 -3.160 286 2HH2 ARG 35 HH22 ARG 35 36.573 7.417 -4.766 287 H TYR 36 HN TYR 36 32.371 15.002 -2.320 288 HA TYR 36 HA TYR 36 30.960 12.889 -3.790 289 1HB TYR 36 HB2 TYR 36 31.350 12.459 -1.206 290 2HB TYR 36 HB1 TYR 36 30.000 13.576 -1.042 291 HD1 TYR 36 HD1 TYR 36 28.333 12.128 -0.220 292 HD2 TYR 36 HD2 TYR 36 30.468 11.058 -3.739 293 HE1 TYR 36 HE1 TYR 36 26.764 10.273 -0.600 294 HE2 TYR 36 HE2 TYR 36 28.902 9.202 -4.131 295 HH TYR 36 HH TYR 36 26.297 8.787 -3.360 296 1HN NH2 37 H1 NH2 37 29.379 16.547 -2.847 297 2HN NH2 37 H2 NH2 37 30.689 15.907 -1.922 Start of MODEL 18 1 1H TYR 1 HT1 TYR 1 36.860 -0.520 -9.456 2 2H TYR 1 HT2 TYR 1 37.764 -0.826 -8.056 3 3H TYR 1 HT3 TYR 1 38.488 -0.049 -9.375 4 HA TYR 1 HA TYR 1 37.917 1.461 -7.523 5 1HB TYR 1 HB2 TYR 1 37.590 1.808 -10.281 6 2HB TYR 1 HB1 TYR 1 36.131 2.494 -9.576 7 HD1 TYR 1 HD1 TYR 1 37.031 4.622 -10.635 8 HD2 TYR 1 HD2 TYR 1 38.983 2.663 -7.402 9 HE1 TYR 1 HE1 TYR 1 38.255 6.692 -10.129 10 HE2 TYR 1 HE2 TYR 1 40.208 4.732 -6.880 11 HH TYR 1 HH TYR 1 40.724 6.802 -7.572 12 HA PRO 2 HA PRO 2 34.009 0.587 -5.551 13 1HB PRO 2 HB2 PRO 2 34.004 2.806 -3.941 14 2HB PRO 2 HB1 PRO 2 34.870 1.311 -3.569 15 1HG PRO 2 HG2 PRO 2 35.897 3.859 -4.743 16 2HG PRO 2 HG1 PRO 2 36.651 2.792 -3.545 17 1HD PRO 2 HD2 PRO 2 37.395 2.791 -6.135 18 2HD PRO 2 HD1 PRO 2 37.406 1.315 -5.152 19 H ILE 3 HN ILE 3 33.925 3.978 -5.201 20 HA ILE 3 HA ILE 3 32.555 5.622 -5.806 21 HB ILE 3 HB ILE 3 32.339 6.155 -7.965 22 1HG1 ILE 3 HG12 ILE 3 32.039 3.379 -9.050 23 2HG1 ILE 3 HG11 ILE 3 30.660 4.170 -8.292 24 1HG2 ILE 3 HG21 ILE 3 34.078 5.047 -9.376 25 2HG2 ILE 3 HG22 ILE 3 34.304 3.895 -8.058 26 3HG2 ILE 3 HG23 ILE 3 34.628 5.609 -7.796 27 1HD1 ILE 3 HD11 ILE 3 30.446 4.601 -10.576 28 2HD1 ILE 3 HD12 ILE 3 32.155 4.989 -10.753 29 3HD1 ILE 3 HD13 ILE 3 31.083 6.094 -9.892 30 H LYS 4 HN LYS 4 31.244 2.443 -6.519 31 HA LYS 4 HA LYS 4 29.028 2.935 -4.808 32 1HB LYS 4 HB2 LYS 4 28.348 3.997 -7.058 33 2HB LYS 4 HB1 LYS 4 28.259 2.347 -7.662 34 1HG LYS 4 HG2 LYS 4 26.225 2.138 -6.835 35 2HG LYS 4 HG1 LYS 4 26.836 2.466 -5.211 36 1HD LYS 4 HD2 LYS 4 25.747 4.400 -5.215 37 2HD LYS 4 HD1 LYS 4 26.732 4.933 -6.581 38 1HE LYS 4 HE2 LYS 4 24.672 5.115 -7.533 39 2HE LYS 4 HE1 LYS 4 25.011 3.428 -7.922 40 1HZ LYS 4 HZ1 LYS 4 23.814 2.893 -5.776 41 2HZ LYS 4 HZ2 LYS 4 22.853 3.464 -7.047 42 3HZ LYS 4 HZ3 LYS 4 23.277 4.502 -5.772 43 HA PRO 5 HA PRO 5 30.421 -1.382 -4.791 44 1HB PRO 5 HB2 PRO 5 28.800 -1.430 -2.324 45 2HB PRO 5 HB1 PRO 5 30.499 -1.853 -2.556 46 1HG PRO 5 HG2 PRO 5 29.765 0.385 -1.275 47 2HG PRO 5 HG1 PRO 5 31.217 0.321 -2.292 48 1HD PRO 5 HD2 PRO 5 28.530 1.493 -2.893 49 2HD PRO 5 HD1 PRO 5 30.146 2.096 -3.316 50 H GLU 6 HN GLU 6 29.399 -3.172 -5.506 51 HA GLU 6 HA GLU 6 26.700 -3.085 -6.330 52 1HB GLU 6 HB2 GLU 6 27.058 -5.614 -6.643 53 2HB GLU 6 HB1 GLU 6 28.065 -4.525 -7.583 54 1HG GLU 6 HG2 GLU 6 29.161 -5.396 -4.985 55 2HG GLU 6 HG1 GLU 6 29.007 -6.635 -6.229 56 H ALA 7 HN ALA 7 25.237 -2.756 -4.760 57 HA ALA 7 HA ALA 7 25.458 -4.126 -2.221 58 1HB ALA 7 HB1 ALA 7 23.365 -2.776 -1.712 59 2HB ALA 7 HB2 ALA 7 23.610 -2.006 -3.279 60 3HB ALA 7 HB3 ALA 7 24.842 -1.863 -2.023 61 HA PRO 8 HA PRO 8 22.586 -7.309 -3.608 62 1HB PRO 8 HB2 PRO 8 22.875 -8.867 -1.412 63 2HB PRO 8 HB1 PRO 8 24.065 -8.848 -2.717 64 1HG PRO 8 HG2 PRO 8 24.136 -7.468 -0.068 65 2HG PRO 8 HG1 PRO 8 25.436 -8.307 -0.933 66 1HD PRO 8 HD2 PRO 8 25.159 -5.594 -0.919 67 2HD PRO 8 HD1 PRO 8 25.899 -6.494 -2.258 68 H GLY 9 HN GLY 9 22.706 -5.415 -0.716 69 1HA GLY 9 HA2 GLY 9 20.315 -4.432 -0.390 70 2HA GLY 9 HA1 GLY 9 19.974 -6.109 0.043 71 H GLU 10 HN GLU 10 19.411 -4.867 2.118 72 HA GLU 10 HA GLU 10 21.863 -4.713 3.745 73 1HB GLU 10 HB2 GLU 10 19.997 -3.532 5.338 74 2HB GLU 10 HB1 GLU 10 21.075 -2.662 4.257 75 1HG GLU 10 HG2 GLU 10 19.191 -1.737 3.498 76 2HG GLU 10 HG1 GLU 10 19.032 -3.231 2.579 77 H ASP 11 HN ASP 11 19.280 -6.583 3.012 78 HA ASP 11 HA ASP 11 19.313 -7.947 5.615 79 1HB ASP 11 HB2 ASP 11 17.071 -7.356 4.776 80 2HB ASP 11 HB1 ASP 11 17.382 -8.254 3.296 81 H ALA 12 HN ALA 12 21.433 -8.768 5.130 82 HA ALA 12 HA ALA 12 21.350 -11.041 3.265 83 1HB ALA 12 HB1 ALA 12 22.638 -8.930 2.476 84 2HB ALA 12 HB2 ALA 12 23.389 -10.516 2.295 85 3HB ALA 12 HB3 ALA 12 23.866 -9.461 3.628 86 H SER 13 HN SER 13 22.993 -12.688 3.724 87 HA SER 13 HA SER 13 23.082 -13.372 6.469 88 1HB SER 13 HB2 SER 13 24.986 -14.797 4.786 89 2HB SER 13 HB1 SER 13 23.562 -15.404 5.636 90 HG SER 13 HG SER 13 23.862 -14.926 3.023 91 HA PRO 14 HA PRO 14 26.606 -11.772 8.482 92 1HB PRO 14 HB2 PRO 14 27.878 -14.463 8.114 93 2HB PRO 14 HB1 PRO 14 27.849 -13.424 9.546 94 1HG PRO 14 HG2 PRO 14 26.172 -15.487 9.301 95 2HG PRO 14 HG1 PRO 14 25.666 -13.969 10.063 96 1HD PRO 14 HD2 PRO 14 24.884 -15.113 7.461 97 2HD PRO 14 HD1 PRO 14 24.057 -13.903 8.459 98 H GLU 15 HN GLU 15 27.942 -14.052 6.045 99 HA GLU 15 HA GLU 15 30.317 -12.537 5.737 100 1HB GLU 15 HB2 GLU 15 29.283 -15.016 4.778 101 2HB GLU 15 HB1 GLU 15 29.874 -14.098 3.400 102 1HG GLU 15 HG2 GLU 15 31.640 -14.189 5.762 103 2HG GLU 15 HG1 GLU 15 31.414 -15.703 4.891 104 H GLU 16 HN GLU 16 27.436 -12.828 3.710 105 HA GLU 16 HA GLU 16 28.330 -11.187 1.619 106 1HB GLU 16 HB2 GLU 16 25.500 -11.819 2.471 107 2HB GLU 16 HB1 GLU 16 25.969 -11.131 0.922 108 1HG GLU 16 HG2 GLU 16 25.878 -13.264 0.247 109 2HG GLU 16 HG1 GLU 16 27.500 -13.338 0.932 110 H LEU 17 HN LEU 17 26.338 -10.494 4.485 111 HA LEU 17 HA LEU 17 25.947 -7.765 3.837 112 1HB LEU 17 HB2 LEU 17 24.775 -7.622 5.755 113 2HB LEU 17 HB1 LEU 17 24.898 -9.371 5.741 114 HG LEU 17 HG LEU 17 27.175 -8.649 7.096 115 1HD1 LEU 17 HD11 LEU 17 25.060 -6.928 8.308 116 2HD1 LEU 17 HD12 LEU 17 26.078 -6.279 7.022 117 3HD1 LEU 17 HD13 LEU 17 26.811 -6.870 8.515 118 1HD2 LEU 17 HD21 LEU 17 24.584 -9.035 8.538 119 2HD2 LEU 17 HD22 LEU 17 26.181 -9.679 8.917 120 3HD2 LEU 17 HD23 LEU 17 25.264 -10.334 7.561 121 H ASN 18 HN ASN 18 28.397 -9.507 5.688 122 HA ASN 18 HA ASN 18 29.894 -7.297 6.548 123 1HB ASN 18 HB2 ASN 18 30.497 -9.300 7.567 124 2HB ASN 18 HB1 ASN 18 30.509 -10.191 6.052 125 1HD2 ASN 18 HD21 ASN 18 32.408 -10.611 5.165 126 2HD2 ASN 18 HD22 ASN 18 33.906 -9.846 5.583 127 H ARG 19 HN ARG 19 29.994 -9.175 3.534 128 HA ARG 19 HA ARG 19 32.222 -7.986 2.327 129 1HB ARG 19 HB2 ARG 19 29.639 -8.797 0.975 130 2HB ARG 19 HB1 ARG 19 31.175 -8.525 0.166 131 1HG ARG 19 HG2 ARG 19 30.793 -10.621 2.281 132 2HG ARG 19 HG1 ARG 19 30.523 -10.923 0.566 133 1HD ARG 19 HD2 ARG 19 32.852 -10.262 0.106 134 2HD ARG 19 HD1 ARG 19 33.110 -10.028 1.838 135 HE ARG 19 HE ARG 19 32.802 -12.392 2.160 136 1HH1 ARG 19 HH11 ARG 19 33.248 -11.343 -1.163 137 2HH1 ARG 19 HH12 ARG 19 33.593 -12.938 -1.755 138 1HH2 ARG 19 HH21 ARG 19 33.218 -14.493 1.373 139 2HH2 ARG 19 HH22 ARG 19 33.569 -14.726 -0.321 140 H TYR 20 HN TYR 20 28.835 -7.129 1.743 141 HA TYR 20 HA TYR 20 29.372 -4.789 0.302 142 1HB TYR 20 HB2 TYR 20 27.235 -5.454 -0.109 143 2HB TYR 20 HB1 TYR 20 27.025 -6.115 1.506 144 HD1 TYR 20 HD1 TYR 20 26.023 -4.823 3.250 145 HD2 TYR 20 HD2 TYR 20 26.826 -3.069 -0.538 146 HE1 TYR 20 HE1 TYR 20 24.612 -2.894 3.860 147 HE2 TYR 20 HE2 TYR 20 25.424 -1.136 0.047 148 HH TYR 20 HH TYR 20 23.224 -1.102 2.376 149 H TYR 21 HN TYR 21 28.804 -5.356 3.723 150 HA TYR 21 HA TYR 21 28.406 -2.719 4.554 151 1HB TYR 21 HB2 TYR 21 28.247 -5.075 5.790 152 2HB TYR 21 HB1 TYR 21 29.836 -4.587 6.369 153 HD1 TYR 21 HD1 TYR 21 26.270 -3.667 6.280 154 HD2 TYR 21 HD2 TYR 21 30.076 -2.919 8.008 155 HE1 TYR 21 HE1 TYR 21 25.205 -2.277 7.990 156 HE2 TYR 21 HE2 TYR 21 29.042 -1.525 9.726 157 HH TYR 21 HH TYR 21 26.301 -1.553 10.728 158 H ALA 22 HN ALA 22 31.393 -4.661 4.714 159 HA ALA 22 HA ALA 22 32.874 -2.464 5.760 160 1HB ALA 22 HB1 ALA 22 34.834 -3.986 5.418 161 2HB ALA 22 HB2 ALA 22 33.706 -5.164 4.743 162 3HB ALA 22 HB3 ALA 22 33.526 -4.631 6.418 163 H SER 23 HN SER 23 32.344 -3.735 2.527 164 HA SER 23 HA SER 23 34.329 -2.149 1.255 165 1HB SER 23 HB2 SER 23 31.713 -3.097 0.064 166 2HB SER 23 HB1 SER 23 33.190 -2.675 -0.806 167 HG SER 23 HG SER 23 32.561 -4.963 0.665 168 H LEU 24 HN LEU 24 30.989 -1.600 2.179 169 HA LEU 24 HA LEU 24 30.807 1.004 1.017 170 1HB LEU 24 HB2 LEU 24 28.870 -0.568 1.495 171 2HB LEU 24 HB1 LEU 24 29.071 -0.175 3.190 172 HG LEU 24 HG LEU 24 28.883 2.311 2.030 173 1HD1 LEU 24 HD11 LEU 24 27.331 0.327 0.433 174 2HD1 LEU 24 HD12 LEU 24 28.194 1.773 -0.095 175 3HD1 LEU 24 HD13 LEU 24 26.644 1.924 0.734 176 1HD2 LEU 24 HD21 LEU 24 27.302 0.563 3.708 177 2HD2 LEU 24 HD22 LEU 24 26.293 1.650 2.756 178 3HD2 LEU 24 HD23 LEU 24 27.547 2.306 3.809 179 H ARG 25 HN ARG 25 31.995 -0.366 3.934 180 HA ARG 25 HA ARG 25 31.977 2.019 5.490 181 1HB ARG 25 HB2 ARG 25 32.755 -0.690 5.857 182 2HB ARG 25 HB1 ARG 25 34.145 0.317 6.242 183 1HG ARG 25 HG2 ARG 25 32.956 -0.012 8.257 184 2HG ARG 25 HG1 ARG 25 32.633 1.645 7.744 185 1HD ARG 25 HD2 ARG 25 30.548 0.591 6.591 186 2HD ARG 25 HD1 ARG 25 30.826 -0.736 7.720 187 HE ARG 25 HE ARG 25 30.758 1.132 9.474 188 1HH1 ARG 25 HH11 ARG 25 28.855 1.089 6.526 189 2HH1 ARG 25 HH12 ARG 25 27.586 2.074 7.184 190 1HH2 ARG 25 HH21 ARG 25 29.087 2.444 10.329 191 2HH2 ARG 25 HH22 ARG 25 27.704 2.825 9.334 192 H HIS 26 HN HIS 26 34.406 0.375 3.492 193 HA HIS 26 HA HIS 26 36.427 2.330 3.748 194 1HB HIS 26 HB2 HIS 26 36.134 -0.121 2.422 195 2HB HIS 26 HB1 HIS 26 36.401 1.047 1.134 196 HD1 HIS 26 HD1 HIS 26 38.764 0.581 0.509 197 HD2 HIS 26 HD2 HIS 26 38.259 1.031 4.616 198 HE1 HIS 26 HE1 HIS 26 41.085 0.569 1.489 199 HE2 HIS 26 HE2 HIS 26 40.745 0.686 3.982 200 H TYR 27 HN TYR 27 33.898 1.800 1.334 201 HA TYR 27 HA TYR 27 34.408 4.004 -0.290 202 1HB TYR 27 HB2 TYR 27 32.907 2.299 -1.053 203 2HB TYR 27 HB1 TYR 27 31.838 2.541 0.324 204 HD1 TYR 27 HD1 TYR 27 33.340 4.702 -2.345 205 HD2 TYR 27 HD2 TYR 27 29.845 3.551 -0.206 206 HE1 TYR 27 HE1 TYR 27 32.011 6.293 -3.667 207 HE2 TYR 27 HE2 TYR 27 28.509 5.138 -1.524 208 HH TYR 27 HH TYR 27 29.355 6.371 -4.318 209 H LEU 28 HN LEU 28 32.188 3.695 2.482 210 HA LEU 28 HA LEU 28 31.273 6.358 2.400 211 1HB LEU 28 HB2 LEU 28 31.030 4.104 4.187 212 2HB LEU 28 HB1 LEU 28 31.223 5.592 5.092 213 HG LEU 28 HG LEU 28 28.847 4.884 4.637 214 1HD1 LEU 28 HD11 LEU 28 29.779 7.276 5.076 215 2HD1 LEU 28 HD12 LEU 28 28.107 7.064 4.556 216 3HD1 LEU 28 HD13 LEU 28 29.336 7.550 3.391 217 1HD2 LEU 28 HD21 LEU 28 28.886 4.077 2.435 218 2HD2 LEU 28 HD22 LEU 28 29.724 5.512 1.835 219 3HD2 LEU 28 HD23 LEU 28 28.034 5.622 2.332 220 H ASN 29 HN ASN 29 34.092 4.933 3.982 221 HA ASN 29 HA ASN 29 34.746 7.216 5.529 222 1HB ASN 29 HB2 ASN 29 35.688 4.698 5.504 223 2HB ASN 29 HB1 ASN 29 36.965 5.490 4.584 224 1HD2 ASN 29 HD21 ASN 29 36.653 8.034 5.972 225 2HD2 ASN 29 HD22 ASN 29 37.321 7.808 7.556 226 H LEU 30 HN LEU 30 35.414 6.301 2.223 227 HA LEU 30 HA LEU 30 37.201 8.561 1.846 228 1HB LEU 30 HB2 LEU 30 36.532 6.151 0.399 229 2HB LEU 30 HB1 LEU 30 36.476 7.546 -0.660 230 HG LEU 30 HG LEU 30 38.843 6.778 1.046 231 1HD1 LEU 30 HD11 LEU 30 38.166 5.267 -0.934 232 2HD1 LEU 30 HD12 LEU 30 39.839 5.813 -0.803 233 3HD1 LEU 30 HD13 LEU 30 38.740 6.600 -1.937 234 1HD2 LEU 30 HD21 LEU 30 38.356 8.984 -0.930 235 2HD2 LEU 30 HD22 LEU 30 39.981 8.409 -0.561 236 3HD2 LEU 30 HD23 LEU 30 38.975 9.090 0.718 237 H VAL 31 HN VAL 31 33.844 7.848 1.520 238 HA VAL 31 HA VAL 31 33.370 9.998 -0.364 239 HB VAL 31 HB VAL 31 32.152 7.621 -0.095 240 1HG1 VAL 31 HG11 VAL 31 29.932 9.249 0.938 241 2HG1 VAL 31 HG12 VAL 31 31.155 8.776 2.117 242 3HG1 VAL 31 HG13 VAL 31 30.305 7.545 1.182 243 1HG2 VAL 31 HG21 VAL 31 31.799 8.784 -2.051 244 2HG2 VAL 31 HG22 VAL 31 31.198 10.216 -1.215 245 3HG2 VAL 31 HG23 VAL 31 30.189 8.774 -1.335 246 H THR 32 HN THR 32 33.535 9.668 3.006 247 HA THR 32 HA THR 32 31.515 11.504 3.789 248 HB THR 32 HB THR 32 33.425 11.641 5.783 249 HG1 THR 32 HG1 THR 32 33.399 8.966 4.800 250 1HG2 THR 32 HG21 THR 32 31.871 10.514 7.037 251 2HG2 THR 32 HG22 THR 32 31.526 9.350 5.760 252 3HG2 THR 32 HG23 THR 32 30.868 10.981 5.661 253 H ARG 33 HN ARG 33 34.323 11.977 2.114 254 HA ARG 33 HA ARG 33 35.516 14.281 2.999 255 1HB ARG 33 HB2 ARG 33 36.183 12.980 0.988 256 2HB ARG 33 HB1 ARG 33 34.788 13.625 0.131 257 1HG ARG 33 HG2 ARG 33 36.279 15.795 1.210 258 2HG ARG 33 HG1 ARG 33 37.381 14.718 0.350 259 1HD ARG 33 HD2 ARG 33 34.925 15.097 -1.119 260 2HD ARG 33 HD1 ARG 33 35.693 16.643 -0.758 261 HE ARG 33 HE ARG 33 36.602 14.642 -2.600 262 1HH1 ARG 33 HH11 ARG 33 37.657 17.220 -0.480 263 2HH1 ARG 33 HH12 ARG 33 39.114 17.535 -1.365 264 1HH2 ARG 33 HH21 ARG 33 38.489 15.105 -3.822 265 2HH2 ARG 33 HH22 ARG 33 39.576 16.354 -3.278 266 H GLN 34 HN GLN 34 32.651 14.014 0.944 267 HA GLN 34 HA GLN 34 31.383 16.270 2.116 268 1HB GLN 34 HB2 GLN 34 33.196 17.120 0.363 269 2HB GLN 34 HB1 GLN 34 31.914 16.744 -0.778 270 1HG GLN 34 HG2 GLN 34 31.630 19.008 -0.271 271 2HG GLN 34 HG1 GLN 34 30.403 18.171 0.682 272 1HE2 GLN 34 HE21 GLN 34 30.332 18.536 2.801 273 2HE2 GLN 34 HE22 GLN 34 31.545 19.370 3.718 274 H ARG 35 HN ARG 35 31.599 13.738 -0.199 275 HA ARG 35 HA ARG 35 28.962 14.086 -1.291 276 1HB ARG 35 HB2 ARG 35 31.048 13.099 -2.443 277 2HB ARG 35 HB1 ARG 35 30.683 11.630 -1.553 278 1HG ARG 35 HG2 ARG 35 29.843 11.769 -3.937 279 2HG ARG 35 HG1 ARG 35 28.668 11.295 -2.712 280 1HD ARG 35 HD2 ARG 35 27.596 13.369 -2.770 281 2HD ARG 35 HD1 ARG 35 28.965 14.156 -3.555 282 HE ARG 35 HE ARG 35 28.352 13.087 -5.604 283 1HH1 ARG 35 HH11 ARG 35 26.020 12.696 -3.011 284 2HH1 ARG 35 HH12 ARG 35 24.698 12.342 -4.084 285 1HH2 ARG 35 HH21 ARG 35 26.624 12.629 -7.016 286 2HH2 ARG 35 HH22 ARG 35 25.038 12.332 -6.369 287 H TYR 36 HN TYR 36 28.724 13.955 1.422 288 HA TYR 36 HA TYR 36 27.542 12.988 3.092 289 1HB TYR 36 HB2 TYR 36 25.971 12.819 0.985 290 2HB TYR 36 HB1 TYR 36 26.258 11.094 1.168 291 HD1 TYR 36 HD1 TYR 36 23.915 10.654 1.619 292 HD2 TYR 36 HD2 TYR 36 26.149 13.283 4.110 293 HE1 TYR 36 HE1 TYR 36 22.145 10.534 3.323 294 HE2 TYR 36 HE2 TYR 36 24.384 13.173 5.818 295 HH TYR 36 HH TYR 36 22.023 10.845 5.867 296 1HN NH2 37 H1 NH2 37 28.218 9.058 2.619 297 2HN NH2 37 H2 NH2 37 26.998 9.904 1.736 Start of MODEL 19 1 1H TYR 1 HT1 TYR 1 24.869 0.897 -9.216 2 2H TYR 1 HT2 TYR 1 24.838 0.326 -10.812 3 3H TYR 1 HT3 TYR 1 25.520 1.835 -10.473 4 HA TYR 1 HA TYR 1 26.674 -0.317 -8.972 5 1HB TYR 1 HB2 TYR 1 28.105 -0.733 -11.224 6 2HB TYR 1 HB1 TYR 1 26.764 -1.757 -10.733 7 HD1 TYR 1 HD1 TYR 1 27.454 1.314 -12.766 8 HD2 TYR 1 HD2 TYR 1 25.068 -2.173 -12.252 9 HE1 TYR 1 HE1 TYR 1 26.321 1.783 -14.898 10 HE2 TYR 1 HE2 TYR 1 23.929 -1.709 -14.379 11 HH TYR 1 HH TYR 1 23.933 1.157 -15.889 12 HA PRO 2 HA PRO 2 29.451 3.226 -9.001 13 1HB PRO 2 HB2 PRO 2 30.468 2.364 -6.485 14 2HB PRO 2 HB1 PRO 2 29.312 3.663 -6.775 15 1HG PRO 2 HG2 PRO 2 28.766 1.266 -5.459 16 2HG PRO 2 HG1 PRO 2 27.561 2.383 -6.120 17 1HD PRO 2 HD2 PRO 2 28.627 -0.157 -7.269 18 2HD PRO 2 HD1 PRO 2 26.994 0.535 -7.374 19 H ILE 3 HN ILE 3 31.894 2.771 -7.552 20 HA ILE 3 HA ILE 3 33.223 0.969 -9.430 21 HB ILE 3 HB ILE 3 34.127 3.265 -9.051 22 1HG1 ILE 3 HG12 ILE 3 36.525 2.493 -8.602 23 2HG1 ILE 3 HG11 ILE 3 35.846 0.879 -8.390 24 1HG2 ILE 3 HG21 ILE 3 34.296 4.072 -7.004 25 2HG2 ILE 3 HG22 ILE 3 35.580 2.907 -6.676 26 3HG2 ILE 3 HG23 ILE 3 33.903 2.497 -6.311 27 1HD1 ILE 3 HD11 ILE 3 36.709 1.159 -10.633 28 2HD1 ILE 3 HD12 ILE 3 35.679 2.572 -10.878 29 3HD1 ILE 3 HD13 ILE 3 34.954 0.976 -10.673 30 H LYS 4 HN LYS 4 31.575 0.415 -6.852 31 HA LYS 4 HA LYS 4 33.147 -1.805 -5.943 32 1HB LYS 4 HB2 LYS 4 33.274 0.681 -4.579 33 2HB LYS 4 HB1 LYS 4 32.362 -0.430 -3.561 34 1HG LYS 4 HG2 LYS 4 34.321 -1.182 -2.827 35 2HG LYS 4 HG1 LYS 4 34.551 -1.911 -4.418 36 1HD LYS 4 HD2 LYS 4 35.267 0.728 -4.809 37 2HD LYS 4 HD1 LYS 4 35.883 0.375 -3.193 38 1HE LYS 4 HE2 LYS 4 36.798 -1.790 -4.307 39 2HE LYS 4 HE1 LYS 4 36.575 -0.899 -5.811 40 1HZ LYS 4 HZ1 LYS 4 38.366 0.328 -5.415 41 2HZ LYS 4 HZ2 LYS 4 38.756 -0.785 -4.191 42 3HZ LYS 4 HZ3 LYS 4 37.924 0.639 -3.807 43 HA PRO 5 HA PRO 5 29.296 -3.786 -5.166 44 1HB PRO 5 HB2 PRO 5 28.931 -4.084 -2.435 45 2HB PRO 5 HB1 PRO 5 29.894 -5.163 -3.452 46 1HG PRO 5 HG2 PRO 5 30.779 -2.881 -1.730 47 2HG PRO 5 HG1 PRO 5 31.519 -4.481 -1.944 48 1HD PRO 5 HD2 PRO 5 32.542 -2.359 -3.182 49 2HD PRO 5 HD1 PRO 5 32.435 -3.922 -4.021 50 H GLU 6 HN GLU 6 27.161 -3.314 -5.037 51 HA GLU 6 HA GLU 6 26.399 -0.668 -4.161 52 1HB GLU 6 HB2 GLU 6 25.588 -2.228 -6.230 53 2HB GLU 6 HB1 GLU 6 24.314 -2.563 -5.064 54 1HG GLU 6 HG2 GLU 6 23.344 -0.615 -5.461 55 2HG GLU 6 HG1 GLU 6 24.852 0.257 -5.193 56 H ALA 7 HN ALA 7 23.637 -2.218 -3.699 57 HA ALA 7 HA ALA 7 24.186 -2.734 -0.849 58 1HB ALA 7 HB1 ALA 7 21.463 -1.947 -1.286 59 2HB ALA 7 HB2 ALA 7 22.561 -0.739 -1.953 60 3HB ALA 7 HB3 ALA 7 22.692 -1.206 -0.259 61 HA PRO 8 HA PRO 8 22.144 -6.617 -2.199 62 1HB PRO 8 HB2 PRO 8 24.086 -7.897 -0.447 63 2HB PRO 8 HB1 PRO 8 23.849 -8.120 -2.182 64 1HG PRO 8 HG2 PRO 8 26.049 -6.927 -1.130 65 2HG PRO 8 HG1 PRO 8 25.402 -6.521 -2.730 66 1HD PRO 8 HD2 PRO 8 25.056 -5.078 -0.122 67 2HD PRO 8 HD1 PRO 8 25.382 -4.419 -1.743 68 H GLY 9 HN GLY 9 20.444 -5.650 -0.841 69 1HA GLY 9 HA2 GLY 9 20.576 -6.528 1.973 70 2HA GLY 9 HA1 GLY 9 19.671 -5.124 1.424 71 H GLU 10 HN GLU 10 19.173 -7.153 -0.984 72 HA GLU 10 HA GLU 10 16.544 -7.845 -0.247 73 1HB GLU 10 HB2 GLU 10 16.458 -9.086 -2.330 74 2HB GLU 10 HB1 GLU 10 17.280 -7.556 -2.591 75 1HG GLU 10 HG2 GLU 10 18.748 -10.130 -2.117 76 2HG GLU 10 HG1 GLU 10 18.265 -9.586 -3.719 77 H ASP 11 HN ASP 11 19.592 -9.554 -0.137 78 HA ASP 11 HA ASP 11 18.856 -11.035 2.113 79 1HB ASP 11 HB2 ASP 11 17.550 -12.349 0.380 80 2HB ASP 11 HB1 ASP 11 19.098 -12.799 -0.333 81 H ALA 12 HN ALA 12 20.789 -10.307 2.847 82 HA ALA 12 HA ALA 12 23.216 -11.040 1.393 83 1HB ALA 12 HB1 ALA 12 23.011 -9.461 3.952 84 2HB ALA 12 HB2 ALA 12 22.877 -8.737 2.346 85 3HB ALA 12 HB3 ALA 12 24.373 -9.539 2.834 86 H SER 13 HN SER 13 24.475 -12.682 1.945 87 HA SER 13 HA SER 13 23.553 -14.432 4.061 88 1HB SER 13 HB2 SER 13 25.966 -15.112 2.455 89 2HB SER 13 HB1 SER 13 24.590 -16.119 2.909 90 HG SER 13 HG SER 13 24.683 -14.124 0.875 91 HA PRO 14 HA PRO 14 26.511 -13.586 7.246 92 1HB PRO 14 HB2 PRO 14 27.539 -16.162 7.627 93 2HB PRO 14 HB1 PRO 14 26.134 -15.471 8.441 94 1HG PRO 14 HG2 PRO 14 26.260 -17.280 6.081 95 2HG PRO 14 HG1 PRO 14 25.076 -17.231 7.401 96 1HD PRO 14 HD2 PRO 14 24.499 -16.268 4.973 97 2HD PRO 14 HD1 PRO 14 23.910 -15.468 6.447 98 H GLU 15 HN GLU 15 28.583 -12.981 7.370 99 HA GLU 15 HA GLU 15 30.792 -12.688 6.928 100 1HB GLU 15 HB2 GLU 15 30.528 -15.345 6.337 101 2HB GLU 15 HB1 GLU 15 31.071 -14.697 4.793 102 1HG GLU 15 HG2 GLU 15 33.149 -14.656 5.536 103 2HG GLU 15 HG1 GLU 15 32.676 -13.551 6.830 104 H GLU 16 HN GLU 16 28.778 -13.391 4.149 105 HA GLU 16 HA GLU 16 30.178 -11.804 2.269 106 1HB GLU 16 HB2 GLU 16 28.765 -13.497 1.414 107 2HB GLU 16 HB1 GLU 16 27.417 -12.987 2.417 108 1HG GLU 16 HG2 GLU 16 27.348 -10.872 1.059 109 2HG GLU 16 HG1 GLU 16 28.506 -11.632 -0.033 110 H LEU 17 HN LEU 17 27.169 -11.299 4.101 111 HA LEU 17 HA LEU 17 26.748 -8.627 3.447 112 1HB LEU 17 HB2 LEU 17 24.957 -9.033 4.702 113 2HB LEU 17 HB1 LEU 17 25.679 -10.519 5.281 114 HG LEU 17 HG LEU 17 26.760 -8.256 6.710 115 1HD1 LEU 17 HD11 LEU 17 24.816 -7.424 7.787 116 2HD1 LEU 17 HD12 LEU 17 23.782 -8.604 6.982 117 3HD1 LEU 17 HD13 LEU 17 24.528 -7.304 6.052 118 1HD2 LEU 17 HD21 LEU 17 26.511 -10.817 7.237 119 2HD2 LEU 17 HD22 LEU 17 24.966 -10.307 7.916 120 3HD2 LEU 17 HD23 LEU 17 26.468 -9.620 8.532 121 H ASN 18 HN ASN 18 28.738 -10.089 5.961 122 HA ASN 18 HA ASN 18 29.459 -7.689 7.262 123 1HB ASN 18 HB2 ASN 18 29.702 -10.145 8.072 124 2HB ASN 18 HB1 ASN 18 31.238 -10.108 7.209 125 1HD2 ASN 18 HD21 ASN 18 32.916 -8.883 8.005 126 2HD2 ASN 18 HD22 ASN 18 32.891 -8.158 9.574 127 H ARG 19 HN ARG 19 30.944 -9.575 4.667 128 HA ARG 19 HA ARG 19 33.329 -8.098 4.439 129 1HB ARG 19 HB2 ARG 19 31.902 -10.089 2.889 130 2HB ARG 19 HB1 ARG 19 32.663 -8.892 1.846 131 1HG ARG 19 HG2 ARG 19 34.614 -9.488 3.714 132 2HG ARG 19 HG1 ARG 19 33.854 -11.043 3.380 133 1HD ARG 19 HD2 ARG 19 35.848 -10.289 1.922 134 2HD ARG 19 HD1 ARG 19 34.435 -10.987 1.134 135 HE ARG 19 HE ARG 19 33.963 -8.936 0.183 136 1HH1 ARG 19 HH11 ARG 19 36.601 -8.606 2.488 137 2HH1 ARG 19 HH12 ARG 19 36.977 -6.983 1.990 138 1HH2 ARG 19 HH21 ARG 19 34.494 -6.843 -0.481 139 2HH2 ARG 19 HH22 ARG 19 35.792 -5.983 0.291 140 H TYR 20 HN TYR 20 30.365 -7.846 2.500 141 HA TYR 20 HA TYR 20 31.116 -5.531 1.108 142 1HB TYR 20 HB2 TYR 20 29.258 -6.110 -0.003 143 2HB TYR 20 HB1 TYR 20 28.831 -7.244 1.270 144 HD1 TYR 20 HD1 TYR 20 27.139 -6.703 2.898 145 HD2 TYR 20 HD2 TYR 20 28.334 -3.832 -0.012 146 HE1 TYR 20 HE1 TYR 20 25.181 -5.324 3.464 147 HE2 TYR 20 HE2 TYR 20 26.385 -2.449 0.540 148 HH TYR 20 HH TYR 20 23.808 -3.636 2.538 149 H TYR 21 HN TYR 21 29.494 -6.006 4.180 150 HA TYR 21 HA TYR 21 28.471 -3.506 4.717 151 1HB TYR 21 HB2 TYR 21 28.624 -5.815 6.079 152 2HB TYR 21 HB1 TYR 21 29.855 -4.899 6.942 153 HD1 TYR 21 HD1 TYR 21 26.283 -5.008 6.039 154 HD2 TYR 21 HD2 TYR 21 29.267 -3.151 8.425 155 HE1 TYR 21 HE1 TYR 21 24.529 -3.938 7.377 156 HE2 TYR 21 HE2 TYR 21 27.533 -2.069 9.777 157 HH TYR 21 HH TYR 21 24.265 -3.006 9.666 158 H ALA 22 HN ALA 22 31.632 -4.714 5.824 159 HA ALA 22 HA ALA 22 32.370 -2.161 6.840 160 1HB ALA 22 HB1 ALA 22 33.897 -4.714 6.445 161 2HB ALA 22 HB2 ALA 22 33.237 -4.045 7.939 162 3HB ALA 22 HB3 ALA 22 34.613 -3.267 7.153 163 H SER 23 HN SER 23 33.003 -3.860 3.820 164 HA SER 23 HA SER 23 35.040 -2.077 2.931 165 1HB SER 23 HB2 SER 23 33.253 -3.991 1.419 166 2HB SER 23 HB1 SER 23 34.594 -3.105 0.692 167 HG SER 23 HG SER 23 35.264 -4.421 3.001 168 H LEU 24 HN LEU 24 31.532 -2.195 2.444 169 HA LEU 24 HA LEU 24 31.453 0.014 0.662 170 1HB LEU 24 HB2 LEU 24 29.577 -1.292 0.412 171 2HB LEU 24 HB1 LEU 24 29.461 -1.650 2.123 172 HG LEU 24 HG LEU 24 28.945 1.113 1.846 173 1HD1 LEU 24 HD11 LEU 24 27.848 1.445 -0.043 174 2HD1 LEU 24 HD12 LEU 24 26.789 0.067 0.285 175 3HD1 LEU 24 HD13 LEU 24 28.317 -0.181 -0.559 176 1HD2 LEU 24 HD21 LEU 24 27.947 -1.057 3.201 177 2HD2 LEU 24 HD22 LEU 24 26.614 -0.609 2.137 178 3HD2 LEU 24 HD23 LEU 24 27.292 0.580 3.249 179 H ARG 25 HN ARG 25 31.130 -0.426 4.148 180 HA ARG 25 HA ARG 25 30.420 2.228 4.758 181 1HB ARG 25 HB2 ARG 25 31.170 -0.101 6.221 182 2HB ARG 25 HB1 ARG 25 32.149 1.241 6.799 183 1HG ARG 25 HG2 ARG 25 30.176 1.106 8.144 184 2HG ARG 25 HG1 ARG 25 30.066 2.550 7.136 185 1HD ARG 25 HD2 ARG 25 28.845 0.799 5.520 186 2HD ARG 25 HD1 ARG 25 28.471 0.055 7.074 187 HE ARG 25 HE ARG 25 27.490 2.599 6.059 188 1HH1 ARG 25 HH11 ARG 25 27.816 0.467 8.815 189 2HH1 ARG 25 HH12 ARG 25 26.502 1.185 9.698 190 1HH2 ARG 25 HH21 ARG 25 25.755 3.532 7.184 191 2HH2 ARG 25 HH22 ARG 25 25.295 2.902 8.741 192 H HIS 26 HN HIS 26 33.530 0.684 4.200 193 HA HIS 26 HA HIS 26 35.162 2.909 4.860 194 1HB HIS 26 HB2 HIS 26 35.487 0.300 3.506 195 2HB HIS 26 HB1 HIS 26 36.622 1.542 3.000 196 HD1 HIS 26 HD1 HIS 26 36.409 -1.117 5.285 197 HD2 HIS 26 HD2 HIS 26 37.790 2.798 5.549 198 HE1 HIS 26 HE1 HIS 26 37.940 -1.069 7.281 199 HE2 HIS 26 HE2 HIS 26 38.914 1.254 7.298 200 H TYR 27 HN TYR 27 34.147 1.571 1.740 201 HA TYR 27 HA TYR 27 35.243 3.586 0.140 202 1HB TYR 27 HB2 TYR 27 34.742 1.567 -0.930 203 2HB TYR 27 HB1 TYR 27 33.114 1.510 -0.275 204 HD1 TYR 27 HD1 TYR 27 34.783 4.298 -2.144 205 HD2 TYR 27 HD2 TYR 27 31.775 1.291 -2.136 206 HE1 TYR 27 HE1 TYR 27 33.907 5.172 -4.270 207 HE2 TYR 27 HE2 TYR 27 30.900 2.143 -4.263 208 HH TYR 27 HH TYR 27 32.369 4.969 -5.865 209 H LEU 28 HN LEU 28 31.899 3.149 1.296 210 HA LEU 28 HA LEU 28 30.874 5.427 -0.010 211 1HB LEU 28 HB2 LEU 28 29.928 3.524 1.971 212 2HB LEU 28 HB1 LEU 28 29.315 5.139 2.266 213 HG LEU 28 HG LEU 28 28.354 5.215 0.027 214 1HD1 LEU 28 HD11 LEU 28 30.214 3.262 -0.580 215 2HD1 LEU 28 HD12 LEU 28 28.939 3.882 -1.632 216 3HD1 LEU 28 HD13 LEU 28 28.656 2.438 -0.658 217 1HD2 LEU 28 HD21 LEU 28 26.548 3.775 0.404 218 2HD2 LEU 28 HD22 LEU 28 27.175 4.149 2.010 219 3HD2 LEU 28 HD23 LEU 28 27.555 2.602 1.253 220 H ASN 29 HN ASN 29 32.090 5.056 3.337 221 HA ASN 29 HA ASN 29 31.466 7.656 4.180 222 1HB ASN 29 HB2 ASN 29 32.060 5.984 5.807 223 2HB ASN 29 HB1 ASN 29 33.653 5.776 5.089 224 1HD2 ASN 29 HD21 ASN 29 35.051 6.458 6.535 225 2HD2 ASN 29 HD22 ASN 29 34.995 7.964 7.381 226 H LEU 30 HN LEU 30 34.395 6.378 2.662 227 HA LEU 30 HA LEU 30 35.841 8.815 2.856 228 1HB LEU 30 HB2 LEU 30 36.218 6.168 1.617 229 2HB LEU 30 HB1 LEU 30 37.087 7.484 0.854 230 HG LEU 30 HG LEU 30 38.465 6.320 2.497 231 1HD1 LEU 30 HD11 LEU 30 37.711 9.170 3.015 232 2HD1 LEU 30 HD12 LEU 30 39.136 8.528 2.196 233 3HD1 LEU 30 HD13 LEU 30 38.983 8.377 3.947 234 1HD2 LEU 30 HD21 LEU 30 37.979 6.422 4.864 235 2HD2 LEU 30 HD22 LEU 30 36.664 5.615 4.015 236 3HD2 LEU 30 HD23 LEU 30 36.476 7.286 4.544 237 H VAL 31 HN VAL 31 33.385 7.764 0.717 238 HA VAL 31 HA VAL 31 34.244 9.696 -1.318 239 HB VAL 31 HB VAL 31 33.633 7.198 -1.822 240 1HG1 VAL 31 HG11 VAL 31 31.182 7.225 -2.705 241 2HG1 VAL 31 HG12 VAL 31 30.957 8.481 -1.485 242 3HG1 VAL 31 HG13 VAL 31 31.504 6.874 -1.007 243 1HG2 VAL 31 HG21 VAL 31 32.483 8.190 -4.031 244 2HG2 VAL 31 HG22 VAL 31 34.214 8.284 -3.713 245 3HG2 VAL 31 HG23 VAL 31 33.179 9.670 -3.369 246 H THR 32 HN THR 32 32.157 9.501 1.286 247 HA THR 32 HA THR 32 30.240 11.359 0.060 248 HB THR 32 HB THR 32 29.041 11.006 2.339 249 HG1 THR 32 HG1 THR 32 30.433 8.544 2.270 250 1HG2 THR 32 HG21 THR 32 27.667 9.898 0.980 251 2HG2 THR 32 HG22 THR 32 28.666 8.457 1.162 252 3HG2 THR 32 HG23 THR 32 28.993 9.597 -0.143 253 H ARG 33 HN ARG 33 32.231 10.970 2.977 254 HA ARG 33 HA ARG 33 31.660 13.455 4.122 255 1HB ARG 33 HB2 ARG 33 33.095 11.286 4.909 256 2HB ARG 33 HB1 ARG 33 34.390 12.426 4.569 257 1HG ARG 33 HG2 ARG 33 33.376 14.044 6.090 258 2HG ARG 33 HG1 ARG 33 32.072 12.904 6.431 259 1HD ARG 33 HD2 ARG 33 34.968 12.234 6.883 260 2HD ARG 33 HD1 ARG 33 33.972 13.012 8.116 261 HE ARG 33 HE ARG 33 33.334 10.374 6.947 262 1HH1 ARG 33 HH11 ARG 33 33.530 12.550 9.706 263 2HH1 ARG 33 HH12 ARG 33 32.946 11.352 10.830 264 1HH2 ARG 33 HH21 ARG 33 32.564 8.835 8.428 265 2HH2 ARG 33 HH22 ARG 33 32.405 9.248 10.109 266 H GLN 34 HN GLN 34 34.484 12.499 2.187 267 HA GLN 34 HA GLN 34 35.998 13.670 0.979 268 1HB GLN 34 HB2 GLN 34 33.494 14.654 0.251 269 2HB GLN 34 HB1 GLN 34 34.452 16.097 0.542 270 1HG GLN 34 HG2 GLN 34 35.684 13.965 -1.091 271 2HG GLN 34 HG1 GLN 34 34.358 14.874 -1.810 272 1HE2 GLN 34 HE21 GLN 34 37.619 14.766 -1.428 273 2HE2 GLN 34 HE22 GLN 34 38.005 16.422 -1.754 274 H ARG 35 HN ARG 35 36.111 13.950 3.764 275 HA ARG 35 HA ARG 35 37.033 16.725 4.085 276 1HB ARG 35 HB2 ARG 35 35.179 15.836 5.612 277 2HB ARG 35 HB1 ARG 35 36.414 14.817 6.336 278 1HG ARG 35 HG2 ARG 35 36.138 16.765 7.689 279 2HG ARG 35 HG1 ARG 35 37.705 16.861 6.883 280 1HD ARG 35 HD2 ARG 35 36.246 18.972 6.957 281 2HD ARG 35 HD1 ARG 35 36.991 18.529 5.422 282 HE ARG 35 HE ARG 35 34.263 17.598 5.896 283 1HH1 ARG 35 HH11 ARG 35 36.374 19.953 4.386 284 2HH1 ARG 35 HH12 ARG 35 35.202 20.421 3.186 285 1HH2 ARG 35 HH21 ARG 35 32.726 18.218 4.339 286 2HH2 ARG 35 HH22 ARG 35 33.118 19.437 3.164 287 H TYR 36 HN TYR 36 39.092 16.639 3.472 288 HA TYR 36 HA TYR 36 41.300 16.172 3.421 289 1HB TYR 36 HB2 TYR 36 40.510 15.576 6.149 290 2HB TYR 36 HB1 TYR 36 41.864 14.573 5.636 291 HD1 TYR 36 HD1 TYR 36 40.905 18.128 4.986 292 HD2 TYR 36 HD2 TYR 36 43.842 15.424 6.441 293 HE1 TYR 36 HE1 TYR 36 42.435 20.010 5.373 294 HE2 TYR 36 HE2 TYR 36 45.387 17.299 6.840 295 HH TYR 36 HH TYR 36 45.244 20.095 5.482 296 1HN NH2 37 H1 NH2 37 40.875 12.116 3.754 297 2HN NH2 37 H2 NH2 37 40.465 13.142 5.086 Start of MODEL 20 1 1H TYR 1 HT1 TYR 1 24.369 0.928 -9.197 2 2H TYR 1 HT2 TYR 1 25.509 2.184 -9.160 3 3H TYR 1 HT3 TYR 1 25.172 1.300 -7.750 4 HA TYR 1 HA TYR 1 26.450 -0.423 -8.319 5 1HB TYR 1 HB2 TYR 1 24.982 -0.182 -10.727 6 2HB TYR 1 HB1 TYR 1 26.679 -0.273 -11.181 7 HD1 TYR 1 HD1 TYR 1 24.250 -1.983 -8.904 8 HD2 TYR 1 HD2 TYR 1 27.610 -2.362 -11.488 9 HE1 TYR 1 HE1 TYR 1 24.187 -4.426 -8.617 10 HE2 TYR 1 HE2 TYR 1 27.558 -4.807 -11.206 11 HH TYR 1 HH TYR 1 24.951 -6.469 -9.997 12 HA PRO 2 HA PRO 2 29.777 2.637 -9.148 13 1HB PRO 2 HB2 PRO 2 30.645 2.461 -6.443 14 2HB PRO 2 HB1 PRO 2 29.829 3.822 -7.216 15 1HG PRO 2 HG2 PRO 2 28.760 2.240 -5.192 16 2HG PRO 2 HG1 PRO 2 27.834 3.292 -6.277 17 1HD PRO 2 HD2 PRO 2 28.270 0.337 -6.413 18 2HD PRO 2 HD1 PRO 2 26.820 1.285 -6.812 19 H ILE 3 HN ILE 3 32.129 2.139 -7.550 20 HA ILE 3 HA ILE 3 33.017 -0.299 -8.782 21 HB ILE 3 HB ILE 3 34.473 1.747 -8.465 22 1HG1 ILE 3 HG12 ILE 3 36.484 0.303 -7.709 23 2HG1 ILE 3 HG11 ILE 3 35.315 -1.007 -7.619 24 1HG2 ILE 3 HG21 ILE 3 33.728 1.558 -5.836 25 2HG2 ILE 3 HG22 ILE 3 35.078 2.511 -6.450 26 3HG2 ILE 3 HG23 ILE 3 35.358 0.889 -5.822 27 1HD1 ILE 3 HD11 ILE 3 36.708 -0.012 -9.882 28 2HD1 ILE 3 HD12 ILE 3 34.982 0.251 -10.130 29 3HD1 ILE 3 HD13 ILE 3 35.589 -1.369 -9.781 30 H LYS 4 HN LYS 4 31.577 0.543 -5.834 31 HA LYS 4 HA LYS 4 32.091 -2.136 -4.803 32 1HB LYS 4 HB2 LYS 4 33.198 0.144 -3.699 33 2HB LYS 4 HB1 LYS 4 31.783 -0.147 -2.696 34 1HG LYS 4 HG2 LYS 4 33.760 -1.198 -1.759 35 2HG LYS 4 HG1 LYS 4 32.569 -2.411 -2.235 36 1HD LYS 4 HD2 LYS 4 33.979 -3.351 -3.681 37 2HD LYS 4 HD1 LYS 4 34.396 -1.792 -4.395 38 1HE LYS 4 HE2 LYS 4 35.976 -1.387 -2.568 39 2HE LYS 4 HE1 LYS 4 35.564 -2.952 -1.867 40 1HZ LYS 4 HZ1 LYS 4 37.502 -2.409 -3.785 41 2HZ LYS 4 HZ2 LYS 4 36.284 -3.286 -4.578 42 3HZ LYS 4 HZ3 LYS 4 37.026 -3.926 -3.192 43 HA PRO 5 HA PRO 5 27.771 -2.528 -4.700 44 1HB PRO 5 HB2 PRO 5 27.411 -4.113 -2.509 45 2HB PRO 5 HB1 PRO 5 28.061 -4.706 -4.044 46 1HG PRO 5 HG2 PRO 5 29.552 -3.788 -1.594 47 2HG PRO 5 HG1 PRO 5 29.775 -5.282 -2.537 48 1HD PRO 5 HD2 PRO 5 31.390 -3.219 -2.925 49 2HD PRO 5 HD1 PRO 5 30.772 -4.129 -4.324 50 H GLU 6 HN GLU 6 26.246 -1.119 -4.142 51 HA GLU 6 HA GLU 6 26.214 -0.004 -1.433 52 1HB GLU 6 HB2 GLU 6 24.670 1.630 -2.264 53 2HB GLU 6 HB1 GLU 6 25.971 1.498 -3.438 54 1HG GLU 6 HG2 GLU 6 23.580 -0.194 -3.870 55 2HG GLU 6 HG1 GLU 6 23.403 1.543 -4.125 56 H ALA 7 HN ALA 7 24.867 -2.482 -3.262 57 HA ALA 7 HA ALA 7 22.517 -2.688 -1.503 58 1HB ALA 7 HB1 ALA 7 21.711 -4.289 -3.324 59 2HB ALA 7 HB2 ALA 7 23.019 -3.631 -4.308 60 3HB ALA 7 HB3 ALA 7 21.745 -2.569 -3.712 61 HA PRO 8 HA PRO 8 24.487 -6.094 0.488 62 1HB PRO 8 HB2 PRO 8 21.772 -7.063 1.088 63 2HB PRO 8 HB1 PRO 8 23.058 -6.570 2.192 64 1HG PRO 8 HG2 PRO 8 20.867 -5.070 1.806 65 2HG PRO 8 HG1 PRO 8 22.457 -4.344 2.103 66 1HD PRO 8 HD2 PRO 8 20.958 -4.649 -0.470 67 2HD PRO 8 HD1 PRO 8 21.951 -3.293 0.105 68 H GLY 9 HN GLY 9 21.658 -6.782 -1.550 69 1HA GLY 9 HA2 GLY 9 21.829 -8.375 -3.352 70 2HA GLY 9 HA1 GLY 9 22.986 -9.280 -2.386 71 H GLU 10 HN GLU 10 19.702 -8.004 -1.938 72 HA GLU 10 HA GLU 10 17.800 -8.892 -1.097 73 1HB GLU 10 HB2 GLU 10 18.914 -10.951 -2.744 74 2HB GLU 10 HB1 GLU 10 18.171 -11.696 -1.335 75 1HG GLU 10 HG2 GLU 10 16.343 -11.623 -2.642 76 2HG GLU 10 HG1 GLU 10 16.225 -9.991 -1.986 77 H ASP 11 HN ASP 11 19.082 -11.952 -0.229 78 HA ASP 11 HA ASP 11 18.670 -11.370 2.558 79 1HB ASP 11 HB2 ASP 11 18.336 -13.582 2.714 80 2HB ASP 11 HB1 ASP 11 18.577 -13.677 0.976 81 H ALA 12 HN ALA 12 21.338 -11.605 0.375 82 HA ALA 12 HA ALA 12 23.484 -10.917 0.526 83 1HB ALA 12 HB1 ALA 12 24.244 -9.719 2.605 84 2HB ALA 12 HB2 ALA 12 22.617 -9.964 3.238 85 3HB ALA 12 HB3 ALA 12 22.858 -9.017 1.771 86 H SER 13 HN SER 13 22.456 -12.565 3.499 87 HA SER 13 HA SER 13 23.192 -14.462 4.505 88 1HB SER 13 HB2 SER 13 25.341 -14.681 2.393 89 2HB SER 13 HB1 SER 13 24.753 -15.958 3.459 90 HG SER 13 HG SER 13 22.746 -14.783 2.013 91 HA PRO 14 HA PRO 14 26.058 -12.866 7.423 92 1HB PRO 14 HB2 PRO 14 26.840 -15.701 7.869 93 2HB PRO 14 HB1 PRO 14 26.276 -14.492 9.027 94 1HG PRO 14 HG2 PRO 14 24.665 -16.447 8.224 95 2HG PRO 14 HG1 PRO 14 24.045 -14.803 8.463 96 1HD PRO 14 HD2 PRO 14 24.706 -16.231 5.921 97 2HD PRO 14 HD1 PRO 14 23.366 -15.124 6.276 98 H GLU 15 HN GLU 15 28.059 -12.142 7.388 99 HA GLU 15 HA GLU 15 30.287 -11.923 7.047 100 1HB GLU 15 HB2 GLU 15 29.957 -14.785 6.681 101 2HB GLU 15 HB1 GLU 15 31.218 -14.133 5.643 102 1HG GLU 15 HG2 GLU 15 31.133 -13.437 8.547 103 2HG GLU 15 HG1 GLU 15 31.828 -14.963 8.010 104 H GLU 16 HN GLU 16 28.399 -13.268 4.430 105 HA GLU 16 HA GLU 16 29.872 -12.010 2.345 106 1HB GLU 16 HB2 GLU 16 27.165 -13.283 2.574 107 2HB GLU 16 HB1 GLU 16 27.613 -12.409 1.110 108 1HG GLU 16 HG2 GLU 16 28.676 -14.967 2.200 109 2HG GLU 16 HG1 GLU 16 28.184 -14.559 0.557 110 H LEU 17 HN LEU 17 26.858 -11.264 4.083 111 HA LEU 17 HA LEU 17 26.494 -8.691 3.012 112 1HB LEU 17 HB2 LEU 17 24.879 -8.351 4.633 113 2HB LEU 17 HB1 LEU 17 24.901 -10.098 4.506 114 HG LEU 17 HG LEU 17 26.723 -9.577 6.534 115 1HD1 LEU 17 HD11 LEU 17 25.899 -7.955 7.955 116 2HD1 LEU 17 HD12 LEU 17 24.309 -7.947 7.195 117 3HD1 LEU 17 HD13 LEU 17 25.682 -7.201 6.376 118 1HD2 LEU 17 HD21 LEU 17 23.888 -10.039 7.258 119 2HD2 LEU 17 HD22 LEU 17 25.343 -10.900 7.759 120 3HD2 LEU 17 HD23 LEU 17 24.646 -11.198 6.167 121 H ASN 18 HN ASN 18 28.546 -9.944 5.546 122 HA ASN 18 HA ASN 18 29.402 -7.440 6.560 123 1HB ASN 18 HB2 ASN 18 29.708 -9.501 7.839 124 2HB ASN 18 HB1 ASN 18 30.809 -10.117 6.608 125 1HD2 ASN 18 HD21 ASN 18 32.705 -10.205 7.611 126 2HD2 ASN 18 HD22 ASN 18 33.465 -8.876 8.430 127 H ARG 19 HN ARG 19 30.549 -9.557 3.973 128 HA ARG 19 HA ARG 19 32.872 -8.220 3.229 129 1HB ARG 19 HB2 ARG 19 30.772 -9.382 1.376 130 2HB ARG 19 HB1 ARG 19 32.411 -8.954 0.907 131 1HG ARG 19 HG2 ARG 19 31.829 -10.984 3.036 132 2HG ARG 19 HG1 ARG 19 31.921 -11.399 1.324 133 1HD ARG 19 HD2 ARG 19 34.199 -10.725 1.200 134 2HD ARG 19 HD1 ARG 19 34.132 -9.978 2.798 135 HE ARG 19 HE ARG 19 34.473 -12.774 2.189 136 1HH1 ARG 19 HH11 ARG 19 33.620 -10.402 4.614 137 2HH1 ARG 19 HH12 ARG 19 33.743 -11.518 5.941 138 1HH2 ARG 19 HH21 ARG 19 34.688 -14.239 3.930 139 2HH2 ARG 19 HH22 ARG 19 34.369 -13.695 5.557 140 H TYR 20 HN TYR 20 29.631 -7.759 1.886 141 HA TYR 20 HA TYR 20 30.193 -5.413 0.463 142 1HB TYR 20 HB2 TYR 20 28.212 -6.168 -0.314 143 2HB TYR 20 HB1 TYR 20 27.848 -7.003 1.189 144 HD1 TYR 20 HD1 TYR 20 26.562 -5.905 2.944 145 HD2 TYR 20 HD2 TYR 20 27.417 -3.931 -0.721 146 HE1 TYR 20 HE1 TYR 20 24.836 -4.222 3.454 147 HE2 TYR 20 HE2 TYR 20 25.695 -2.252 -0.230 148 HH TYR 20 HH TYR 20 24.077 -1.627 1.146 149 H TYR 21 HN TYR 21 29.096 -5.954 3.750 150 HA TYR 21 HA TYR 21 28.280 -3.391 4.447 151 1HB TYR 21 HB2 TYR 21 28.284 -5.727 5.729 152 2HB TYR 21 HB1 TYR 21 29.713 -5.027 6.481 153 HD1 TYR 21 HD1 TYR 21 26.087 -4.670 6.019 154 HD2 TYR 21 HD2 TYR 21 29.541 -3.227 8.030 155 HE1 TYR 21 HE1 TYR 21 24.652 -3.432 7.570 156 HE2 TYR 21 HE2 TYR 21 28.129 -1.981 9.592 157 HH TYR 21 HH TYR 21 25.027 -2.566 10.127 158 H ALA 22 HN ALA 22 31.433 -4.885 5.168 159 HA ALA 22 HA ALA 22 32.504 -2.462 6.183 160 1HB ALA 22 HB1 ALA 22 33.474 -4.367 7.062 161 2HB ALA 22 HB2 ALA 22 34.709 -3.774 5.948 162 3HB ALA 22 HB3 ALA 22 33.672 -5.124 5.481 163 H SER 23 HN SER 23 32.458 -3.944 3.006 164 HA SER 23 HA SER 23 34.367 -2.258 1.787 165 1HB SER 23 HB2 SER 23 31.918 -3.544 0.543 166 2HB SER 23 HB1 SER 23 33.294 -2.885 -0.339 167 HG SER 23 HG SER 23 33.280 -5.109 1.431 168 H LEU 24 HN LEU 24 30.826 -2.015 1.987 169 HA LEU 24 HA LEU 24 30.559 0.463 0.721 170 1HB LEU 24 HB2 LEU 24 28.646 -0.955 0.938 171 2HB LEU 24 HB1 LEU 24 28.818 -1.028 2.681 172 HG LEU 24 HG LEU 24 28.492 1.690 2.088 173 1HD1 LEU 24 HD11 LEU 24 27.404 1.771 0.151 174 2HD1 LEU 24 HD12 LEU 24 26.045 1.036 1.004 175 3HD1 LEU 24 HD13 LEU 24 27.179 0.022 0.110 176 1HD2 LEU 24 HD21 LEU 24 26.592 -0.392 3.152 177 2HD2 LEU 24 HD22 LEU 24 26.314 1.347 3.237 178 3HD2 LEU 24 HD23 LEU 24 27.685 0.630 4.083 179 H ARG 25 HN ARG 25 30.994 -0.481 4.091 180 HA ARG 25 HA ARG 25 30.648 2.007 5.302 181 1HB ARG 25 HB2 ARG 25 31.302 -0.512 6.164 182 2HB ARG 25 HB1 ARG 25 32.799 0.363 6.442 183 1HG ARG 25 HG2 ARG 25 31.528 0.450 8.439 184 2HG ARG 25 HG1 ARG 25 31.486 2.059 7.712 185 1HD ARG 25 HD2 ARG 25 29.290 0.887 6.594 186 2HD ARG 25 HD1 ARG 25 29.318 0.142 8.196 187 HE ARG 25 HE ARG 25 29.102 3.032 7.636 188 1HH1 ARG 25 HH11 ARG 25 28.855 0.334 9.863 189 2HH1 ARG 25 HH12 ARG 25 28.103 1.268 11.114 190 1HH2 ARG 25 HH21 ARG 25 28.100 4.269 9.292 191 2HH2 ARG 25 HH22 ARG 25 27.667 3.494 10.793 192 H HIS 26 HN HIS 26 33.658 0.473 4.186 193 HA HIS 26 HA HIS 26 35.241 2.766 4.789 194 1HB HIS 26 HB2 HIS 26 36.872 1.250 4.640 195 2HB HIS 26 HB1 HIS 26 35.696 0.057 4.130 196 HD1 HIS 26 HD1 HIS 26 38.653 1.875 3.039 197 HD2 HIS 26 HD2 HIS 26 35.539 -0.204 1.228 198 HE1 HIS 26 HE1 HIS 26 39.440 1.372 0.703 199 HE2 HIS 26 HE2 HIS 26 37.607 -0.035 -0.316 200 H TYR 27 HN TYR 27 33.615 1.575 1.929 201 HA TYR 27 HA TYR 27 34.784 3.332 0.043 202 1HB TYR 27 HB2 TYR 27 33.469 1.247 -0.473 203 2HB TYR 27 HB1 TYR 27 32.012 2.128 -0.036 204 HD1 TYR 27 HD1 TYR 27 34.729 3.809 -1.829 205 HD2 TYR 27 HD2 TYR 27 31.032 1.751 -2.196 206 HE1 TYR 27 HE1 TYR 27 34.539 4.577 -4.156 207 HE2 TYR 27 HE2 TYR 27 30.827 2.502 -4.520 208 HH TYR 27 HH TYR 27 33.406 4.399 -6.070 209 H LEU 28 HN LEU 28 31.608 3.415 1.663 210 HA LEU 28 HA LEU 28 30.880 5.951 0.674 211 1HB LEU 28 HB2 LEU 28 29.976 4.430 3.108 212 2HB LEU 28 HB1 LEU 28 29.298 5.986 2.668 213 HG LEU 28 HG LEU 28 28.892 3.320 1.433 214 1HD1 LEU 28 HD11 LEU 28 26.834 3.790 2.091 215 2HD1 LEU 28 HD12 LEU 28 26.789 5.148 0.967 216 3HD1 LEU 28 HD13 LEU 28 27.348 5.391 2.623 217 1HD2 LEU 28 HD21 LEU 28 29.344 3.944 -0.652 218 2HD2 LEU 28 HD22 LEU 28 29.660 5.608 -0.155 219 3HD2 LEU 28 HD23 LEU 28 28.014 5.095 -0.524 220 H ASN 29 HN ASN 29 32.644 5.012 3.580 221 HA ASN 29 HA ASN 29 32.756 7.544 4.802 222 1HB ASN 29 HB2 ASN 29 33.471 5.301 5.798 223 2HB ASN 29 HB1 ASN 29 34.977 5.499 4.907 224 1HD2 ASN 29 HD21 ASN 29 36.388 5.830 6.495 225 2HD2 ASN 29 HD22 ASN 29 36.303 7.113 7.645 226 H LEU 30 HN LEU 30 34.828 6.005 2.388 227 HA LEU 30 HA LEU 30 36.775 8.032 2.260 228 1HB LEU 30 HB2 LEU 30 36.269 5.564 1.014 229 2HB LEU 30 HB1 LEU 30 36.395 6.737 -0.280 230 HG LEU 30 HG LEU 30 38.495 5.406 0.862 231 1HD1 LEU 30 HD11 LEU 30 38.504 6.486 -1.305 232 2HD1 LEU 30 HD12 LEU 30 39.903 7.009 -0.367 233 3HD1 LEU 30 HD13 LEU 30 38.507 8.072 -0.541 234 1HD2 LEU 30 HD21 LEU 30 38.416 8.173 2.062 235 2HD2 LEU 30 HD22 LEU 30 39.822 7.109 2.054 236 3HD2 LEU 30 HD23 LEU 30 38.369 6.647 2.943 237 H VAL 31 HN VAL 31 33.876 7.467 0.273 238 HA VAL 31 HA VAL 31 34.451 9.719 -1.420 239 HB VAL 31 HB VAL 31 31.873 8.156 -1.294 240 1HG1 VAL 31 HG11 VAL 31 32.197 10.414 -2.592 241 2HG1 VAL 31 HG12 VAL 31 31.326 9.067 -3.325 242 3HG1 VAL 31 HG13 VAL 31 33.008 9.374 -3.762 243 1HG2 VAL 31 HG21 VAL 31 33.532 6.515 -1.633 244 2HG2 VAL 31 HG22 VAL 31 34.452 7.559 -2.717 245 3HG2 VAL 31 HG23 VAL 31 32.904 6.891 -3.237 246 H THR 32 HN THR 32 31.852 9.017 0.939 247 HA THR 32 HA THR 32 30.596 11.531 0.555 248 HB THR 32 HB THR 32 30.183 10.029 3.099 249 HG1 THR 32 HG1 THR 32 30.191 8.295 1.769 250 1HG2 THR 32 HG21 THR 32 27.753 10.441 2.039 251 2HG2 THR 32 HG22 THR 32 28.638 11.746 1.251 252 3HG2 THR 32 HG23 THR 32 28.592 11.650 3.011 253 H ARG 33 HN ARG 33 33.060 10.394 2.763 254 HA ARG 33 HA ARG 33 32.975 12.975 4.161 255 1HB ARG 33 HB2 ARG 33 34.521 10.512 4.959 256 2HB ARG 33 HB1 ARG 33 34.241 11.950 5.930 257 1HG ARG 33 HG2 ARG 33 31.815 10.588 4.992 258 2HG ARG 33 HG1 ARG 33 32.811 9.670 6.123 259 1HD ARG 33 HD2 ARG 33 32.829 11.845 7.514 260 2HD ARG 33 HD1 ARG 33 31.448 12.307 6.516 261 HE ARG 33 HE ARG 33 31.558 10.072 8.422 262 1HH1 ARG 33 HH11 ARG 33 29.720 12.057 6.203 263 2HH1 ARG 33 HH12 ARG 33 28.181 11.428 6.700 264 1HH2 ARG 33 HH21 ARG 33 29.530 9.253 9.104 265 2HH2 ARG 33 HH22 ARG 33 28.072 9.875 8.383 266 H GLN 34 HN GLN 34 33.936 13.316 1.727 267 HA GLN 34 HA GLN 34 36.809 13.078 1.659 268 1HB GLN 34 HB2 GLN 34 34.693 14.150 -0.128 269 2HB GLN 34 HB1 GLN 34 36.287 14.874 -0.283 270 1HG GLN 34 HG2 GLN 34 35.641 11.949 -0.542 271 2HG GLN 34 HG1 GLN 34 35.978 13.062 -1.870 272 1HE2 GLN 34 HE21 GLN 34 37.271 10.850 0.264 273 2HE2 GLN 34 HE22 GLN 34 38.952 11.206 0.028 274 H ARG 35 HN ARG 35 36.406 14.188 3.975 275 HA ARG 35 HA ARG 35 36.989 17.054 3.639 276 1HB ARG 35 HB2 ARG 35 34.665 16.366 4.628 277 2HB ARG 35 HB1 ARG 35 35.589 15.997 6.080 278 1HG ARG 35 HG2 ARG 35 36.494 18.353 5.958 279 2HG ARG 35 HG1 ARG 35 35.286 18.657 4.709 280 1HD ARG 35 HD2 ARG 35 34.449 19.385 6.858 281 2HD ARG 35 HD1 ARG 35 33.516 18.003 6.291 282 HE ARG 35 HE ARG 35 35.699 17.269 8.005 283 1HH1 ARG 35 HH11 ARG 35 32.373 18.371 7.951 284 2HH1 ARG 35 HH12 ARG 35 31.997 17.712 9.512 285 1HH2 ARG 35 HH21 ARG 35 35.214 16.380 10.029 286 2HH2 ARG 35 HH22 ARG 35 33.609 16.545 10.684 287 H TYR 36 HN TYR 36 38.689 17.825 4.795 288 HA TYR 36 HA TYR 36 40.361 15.845 6.121 289 1HB TYR 36 HB2 TYR 36 40.772 18.399 4.770 290 2HB TYR 36 HB1 TYR 36 41.666 18.289 6.283 291 HD1 TYR 36 HD1 TYR 36 41.036 15.156 4.604 292 HD2 TYR 36 HD2 TYR 36 43.719 18.449 4.854 293 HE1 TYR 36 HE1 TYR 36 42.766 13.824 3.478 294 HE2 TYR 36 HE2 TYR 36 45.457 17.123 3.730 295 HH TYR 36 HH TYR 36 45.018 13.701 3.072 296 1HN NH2 37 H1 NH2 37 40.597 17.673 9.306 297 2HN NH2 37 H2 NH2 37 41.682 17.157 8.060
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