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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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646186 |
6okw ![]() ![]() |
30391 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 10.154 -9.421 1.195 2 H2 GLY 1 HT2 GLY 1 9.102 -10.720 1.404 3 H3 GLY 1 HT3 GLY 1 8.998 -9.766 0.008 4 HA2 GLY 1 HA1 GLY 1 10.048 -11.823 -0.535 5 HA3 GLY 1 HA2 GLY 1 11.210 -10.505 -0.648 6 H SER 2 HN SER 2 11.214 -13.530 0.074 7 HA SER 2 HA SER 2 12.082 -13.805 2.727 8 HB2 SER 2 HB2 SER 2 12.827 -15.518 0.351 9 HB3 SER 2 HB1 SER 2 12.830 -16.003 2.047 10 HG SER 2 HG SER 2 10.697 -16.127 2.046 11 H VAL 3 HN VAL 3 13.661 -12.694 -0.115 12 HA VAL 3 HA VAL 3 16.320 -13.128 0.411 13 HB VAL 3 HB VAL 3 15.612 -12.108 -1.677 14 HG11 VAL 3 HG11 VAL 3 15.029 -9.618 -0.080 15 HG12 VAL 3 HG12 VAL 3 13.836 -10.660 -0.856 16 HG13 VAL 3 HG13 VAL 3 14.985 -9.750 -1.840 17 HG21 VAL 3 HG21 VAL 3 17.350 -10.368 -1.884 18 HG22 VAL 3 HG22 VAL 3 17.921 -11.817 -1.058 19 HG23 VAL 3 HG23 VAL 3 17.522 -10.372 -0.130 20 H GLU 4 HN GLU 4 14.306 -10.461 1.692 21 HA GLU 4 HA GLU 4 14.601 -8.993 3.405 22 HB2 GLU 4 HB2 GLU 4 16.194 -11.309 4.496 23 HB3 GLU 4 HB1 GLU 4 15.672 -9.922 5.436 24 HG2 GLU 4 HG2 GLU 4 13.370 -10.501 5.132 25 HG3 GLU 4 HG1 GLU 4 13.799 -11.787 4.004 26 H LYS 5 HN LYS 5 16.231 -8.207 1.384 27 HA LYS 5 HA LYS 5 18.969 -8.159 1.772 28 HB2 LYS 5 HB2 LYS 5 17.201 -6.028 0.566 29 HB3 LYS 5 HB1 LYS 5 18.948 -6.085 0.408 30 HG2 LYS 5 HG2 LYS 5 18.751 -8.238 -0.752 31 HG3 LYS 5 HG1 LYS 5 16.994 -8.121 -0.628 32 HD2 LYS 5 HD2 LYS 5 17.007 -6.095 -1.950 33 HD3 LYS 5 HD1 LYS 5 18.769 -6.115 -2.008 34 HE2 LYS 5 HE2 LYS 5 18.665 -8.284 -3.190 35 HE3 LYS 5 HE1 LYS 5 16.906 -8.167 -3.193 36 HZ1 LYS 5 HZ1 LYS 5 17.861 -7.424 -5.280 37 HZ2 LYS 5 HZ2 LYS 5 18.764 -6.244 -4.476 38 HZ3 LYS 5 HZ3 LYS 5 17.079 -6.148 -4.493 39 H LEU 6 HN LEU 6 16.851 -5.387 2.435 40 HA LEU 6 HA LEU 6 18.430 -4.860 4.848 41 HB2 LEU 6 HB2 LEU 6 18.240 -2.431 4.289 42 HB3 LEU 6 HB1 LEU 6 19.281 -3.355 3.229 43 HG LEU 6 HG LEU 6 17.092 -3.480 1.746 44 HD11 LEU 6 HD11 LEU 6 16.691 -0.913 3.269 45 HD12 LEU 6 HD12 LEU 6 15.653 -2.335 3.344 46 HD13 LEU 6 HD13 LEU 6 15.795 -1.425 1.839 47 HD21 LEU 6 HD21 LEU 6 17.881 -1.504 0.540 48 HD22 LEU 6 HD22 LEU 6 19.206 -2.555 1.031 49 HD23 LEU 6 HD23 LEU 6 18.884 -1.070 1.924 50 H THR 7 HN THR 7 15.560 -5.750 3.799 51 HA THR 7 HA THR 7 13.971 -3.907 5.391 52 HB THR 7 HB THR 7 12.092 -5.276 4.230 53 HG1 THR 7 HG1 THR 7 12.763 -6.195 2.275 54 HG21 THR 7 HG21 THR 7 12.207 -3.803 2.274 55 HG22 THR 7 HG22 THR 7 13.891 -3.435 2.643 56 HG23 THR 7 HG23 THR 7 12.614 -2.920 3.745 57 H ALA 8 HN ALA 8 15.677 -6.123 6.515 58 HA ALA 8 HA ALA 8 14.104 -8.261 7.409 59 HB1 ALA 8 HB1 ALA 8 15.672 -8.515 9.267 60 HB2 ALA 8 HB2 ALA 8 16.329 -6.910 8.963 61 HB3 ALA 8 HB3 ALA 8 16.542 -8.195 7.769 62 H ASP 9 HN ASP 9 14.403 -4.994 8.642 63 HA ASP 9 HA ASP 9 12.891 -5.262 11.009 64 HB2 ASP 9 HB2 ASP 9 12.639 -2.815 10.879 65 HB3 ASP 9 HB1 ASP 9 14.295 -3.303 10.546 66 H ALA 10 HN ALA 10 12.054 -4.762 7.715 67 HA ALA 10 HA ALA 10 9.269 -4.192 8.156 68 HB1 ALA 10 HB1 ALA 10 10.581 -5.054 5.572 69 HB2 ALA 10 HB2 ALA 10 10.425 -3.384 6.120 70 HB3 ALA 10 HB3 ALA 10 8.986 -4.331 5.751 71 H GLU 11 HN GLU 11 11.175 -7.019 7.455 72 HA GLU 11 HA GLU 11 9.051 -8.842 7.021 73 HB2 GLU 11 HB2 GLU 11 11.494 -9.341 6.579 74 HB3 GLU 11 HB1 GLU 11 11.735 -9.455 8.318 75 HG2 GLU 11 HG2 GLU 11 11.553 -11.656 7.523 76 HG3 GLU 11 HG1 GLU 11 10.015 -11.300 8.306 77 H LEU 12 HN LEU 12 10.617 -7.576 9.889 78 HA LEU 12 HA LEU 12 9.464 -9.192 11.849 79 HB2 LEU 12 HB2 LEU 12 10.056 -6.247 12.182 80 HB3 LEU 12 HB1 LEU 12 10.003 -7.464 13.436 81 HG LEU 12 HG LEU 12 12.156 -6.999 11.382 82 HD11 LEU 12 HD11 LEU 12 12.300 -5.677 13.353 83 HD12 LEU 12 HD12 LEU 12 13.587 -6.883 13.319 84 HD13 LEU 12 HD13 LEU 12 12.185 -7.116 14.368 85 HD21 LEU 12 HD21 LEU 12 11.759 -9.373 11.375 86 HD22 LEU 12 HD22 LEU 12 11.818 -9.419 13.139 87 HD23 LEU 12 HD23 LEU 12 13.266 -9.010 12.213 88 H GLN 13 HN GLN 13 8.403 -5.979 10.708 89 HA GLN 13 HA GLN 13 5.969 -6.054 12.143 90 HB2 GLN 13 HB2 GLN 13 6.770 -4.367 9.769 91 HB3 GLN 13 HB1 GLN 13 5.225 -4.207 10.589 92 HG2 GLN 13 HG2 GLN 13 6.630 -3.890 12.720 93 HG3 GLN 13 HG1 GLN 13 7.965 -3.587 11.609 94 HE21 GLN 13 HE21 GLN 13 7.935 -1.732 10.341 95 HE22 GLN 13 HE22 GLN 13 6.855 -0.422 10.653 96 H ARG 14 HN ARG 14 6.916 -7.470 9.190 97 HA ARG 14 HA ARG 14 4.316 -7.852 8.080 98 HB2 ARG 14 HB2 ARG 14 6.321 -8.078 6.684 99 HB3 ARG 14 HB1 ARG 14 6.858 -9.446 7.649 100 HG2 ARG 14 HG2 ARG 14 5.017 -10.773 6.874 101 HG3 ARG 14 HG1 ARG 14 4.337 -9.389 6.012 102 HD2 ARG 14 HD2 ARG 14 7.037 -10.611 5.473 103 HD3 ARG 14 HD1 ARG 14 5.577 -10.929 4.536 104 HE ARG 14 HE ARG 14 5.568 -8.493 4.025 105 HH11 ARG 14 HH11 ARG 14 8.606 -10.008 4.957 106 HH12 ARG 14 HH12 ARG 14 9.564 -8.926 3.995 107 HH21 ARG 14 HH21 ARG 14 6.844 -7.086 2.775 108 HH22 ARG 14 HH22 ARG 14 8.574 -7.285 2.723 109 H LEU 15 HN LEU 15 6.321 -9.615 10.324 110 HA LEU 15 HA LEU 15 4.558 -11.857 10.581 111 HB2 LEU 15 HB2 LEU 15 6.662 -10.844 12.508 112 HB3 LEU 15 HB1 LEU 15 5.894 -12.417 12.565 113 HG LEU 15 HG LEU 15 7.757 -11.434 10.406 114 HD11 LEU 15 HD11 LEU 15 9.292 -13.116 11.274 115 HD12 LEU 15 HD12 LEU 15 8.145 -13.504 12.556 116 HD13 LEU 15 HD13 LEU 15 8.895 -11.909 12.499 117 HD21 LEU 15 HD21 LEU 15 6.076 -12.938 9.486 118 HD22 LEU 15 HD22 LEU 15 6.414 -14.114 10.755 119 HD23 LEU 15 HD23 LEU 15 7.648 -13.735 9.553 120 H LYS 16 HN LYS 16 5.020 -8.777 12.084 121 HA LYS 16 HA LYS 16 3.303 -8.945 14.271 122 HB2 LYS 16 HB2 LYS 16 4.642 -6.971 14.058 123 HB3 LYS 16 HB1 LYS 16 3.946 -6.586 12.489 124 HG2 LYS 16 HG2 LYS 16 1.797 -6.132 13.560 125 HG3 LYS 16 HG1 LYS 16 2.511 -6.492 15.131 126 HD2 LYS 16 HD2 LYS 16 4.003 -4.633 14.955 127 HD3 LYS 16 HD1 LYS 16 3.545 -4.357 13.273 128 HE2 LYS 16 HE2 LYS 16 2.479 -2.750 14.790 129 HE3 LYS 16 HE1 LYS 16 1.299 -3.755 13.955 130 HZ1 LYS 16 HZ1 LYS 16 2.254 -4.233 16.724 131 HZ2 LYS 16 HZ2 LYS 16 1.021 -5.071 15.925 132 HZ3 LYS 16 HZ3 LYS 16 0.814 -3.447 16.323 133 H ASN 17 HN ASN 17 2.495 -8.360 10.842 134 HA ASN 17 HA ASN 17 -0.291 -8.118 11.606 135 HB2 ASN 17 HB2 ASN 17 -0.721 -7.739 9.149 136 HB3 ASN 17 HB1 ASN 17 0.312 -6.536 9.899 137 HD21 ASN 17 HD21 ASN 17 0.173 -9.204 7.663 138 HD22 ASN 17 HD22 ASN 17 1.686 -8.888 6.891 139 H GLU 18 HN GLU 18 0.202 -10.322 12.490 140 HA GLU 18 HA GLU 18 0.413 -12.617 10.919 141 HB2 GLU 18 HB2 GLU 18 0.749 -12.561 13.339 142 HB3 GLU 18 HB1 GLU 18 -0.957 -12.223 13.578 143 HG2 GLU 18 HG2 GLU 18 -1.560 -14.389 12.770 144 HG3 GLU 18 HG1 GLU 18 0.106 -14.724 12.305 145 H ARG 19 HN ARG 19 -2.226 -10.543 11.539 146 HA ARG 19 HA ARG 19 -4.367 -12.274 10.774 147 HB2 ARG 19 HB2 ARG 19 -5.667 -10.189 10.680 148 HB3 ARG 19 HB1 ARG 19 -4.703 -10.277 12.150 149 HG2 ARG 19 HG2 ARG 19 -2.977 -8.882 10.978 150 HG3 ARG 19 HG1 ARG 19 -4.155 -8.648 9.691 151 HD2 ARG 19 HD2 ARG 19 -5.691 -7.615 11.264 152 HD3 ARG 19 HD1 ARG 19 -4.552 -7.898 12.582 153 HE ARG 19 HE ARG 19 -4.114 -6.079 10.311 154 HH11 ARG 19 HH11 ARG 19 -3.428 -7.041 13.624 155 HH12 ARG 19 HH12 ARG 19 -2.373 -5.706 13.930 156 HH21 ARG 19 HH21 ARG 19 -2.705 -4.345 10.699 157 HH22 ARG 19 HH22 ARG 19 -1.939 -4.153 12.247 158 H HIS 20 HN HIS 20 -1.843 -11.289 8.977 159 HA HIS 20 HA HIS 20 -3.180 -11.566 6.441 160 HB2 HIS 20 HB2 HIS 20 -3.632 -9.170 7.132 161 HB3 HIS 20 HB1 HIS 20 -1.902 -8.885 7.050 162 HD2 HIS 20 HD2 HIS 20 -1.273 -7.725 4.704 163 HE1 HIS 20 HE1 HIS 20 -4.348 -9.413 2.330 164 HE2 HIS 20 HE2 HIS 20 -2.601 -7.624 2.492 165 H GLU 21 HN GLU 21 -0.828 -12.616 8.077 166 HA GLU 21 HA GLU 21 1.550 -11.712 6.775 167 HB2 GLU 21 HB2 GLU 21 2.664 -13.586 7.993 168 HB3 GLU 21 HB1 GLU 21 1.764 -12.491 9.033 169 HG2 GLU 21 HG2 GLU 21 0.040 -14.063 9.362 170 HG3 GLU 21 HG1 GLU 21 0.602 -15.071 8.032 171 H GLU 22 HN GLU 22 -0.447 -14.629 6.526 172 HA GLU 22 HA GLU 22 1.241 -16.008 4.733 173 HB2 GLU 22 HB2 GLU 22 -0.585 -17.535 4.388 174 HB3 GLU 22 HB1 GLU 22 -0.545 -17.097 6.087 175 HG2 GLU 22 HG2 GLU 22 -2.439 -15.595 5.775 176 HG3 GLU 22 HG1 GLU 22 -2.409 -15.899 4.042 177 H ALA 23 HN ALA 23 -0.866 -13.409 4.266 178 HA ALA 23 HA ALA 23 -1.388 -14.011 1.471 179 HB1 ALA 23 HB1 ALA 23 -3.151 -12.935 2.827 180 HB2 ALA 23 HB2 ALA 23 -2.705 -11.985 1.412 181 HB3 ALA 23 HB3 ALA 23 -2.125 -11.509 3.006 182 H GLU 24 HN GLU 24 0.377 -11.590 3.347 183 HA GLU 24 HA GLU 24 1.408 -10.264 1.047 184 HB2 GLU 24 HB2 GLU 24 1.215 -9.174 3.292 185 HB3 GLU 24 HB1 GLU 24 2.525 -10.201 3.864 186 HG2 GLU 24 HG2 GLU 24 4.027 -9.197 2.240 187 HG3 GLU 24 HG1 GLU 24 2.713 -8.185 1.641 188 H LEU 25 HN LEU 25 2.761 -12.646 3.298 189 HA LEU 25 HA LEU 25 5.333 -12.762 2.241 190 HB2 LEU 25 HB2 LEU 25 4.732 -13.740 4.385 191 HB3 LEU 25 HB1 LEU 25 3.725 -14.928 3.584 192 HG LEU 25 HG LEU 25 5.740 -15.895 2.525 193 HD11 LEU 25 HD11 LEU 25 7.156 -13.923 2.499 194 HD12 LEU 25 HD12 LEU 25 7.951 -15.246 3.349 195 HD13 LEU 25 HD13 LEU 25 7.220 -13.927 4.261 196 HD21 LEU 25 HD21 LEU 25 5.838 -15.688 5.529 197 HD22 LEU 25 HD22 LEU 25 6.644 -16.918 4.556 198 HD23 LEU 25 HD23 LEU 25 4.882 -16.837 4.591 199 H GLU 26 HN GLU 26 2.534 -14.885 1.496 200 HA GLU 26 HA GLU 26 3.838 -16.497 -0.353 201 HB2 GLU 26 HB2 GLU 26 1.621 -16.952 0.673 202 HB3 GLU 26 HB1 GLU 26 0.925 -15.720 -0.369 203 HG2 GLU 26 HG2 GLU 26 1.615 -17.014 -2.332 204 HG3 GLU 26 HG1 GLU 26 2.255 -18.264 -1.264 205 H ARG 27 HN ARG 27 2.104 -13.455 -0.830 206 HA ARG 27 HA ARG 27 2.205 -13.380 -3.635 207 HB2 ARG 27 HB2 ARG 27 2.194 -11.126 -1.621 208 HB3 ARG 27 HB1 ARG 27 2.144 -10.866 -3.352 209 HG2 ARG 27 HG2 ARG 27 0.055 -12.158 -3.456 210 HG3 ARG 27 HG1 ARG 27 0.096 -12.305 -1.695 211 HD2 ARG 27 HD2 ARG 27 -1.333 -10.438 -2.492 212 HD3 ARG 27 HD1 ARG 27 -0.018 -9.919 -1.437 213 HE ARG 27 HE ARG 27 0.726 -9.822 -4.192 214 HH11 ARG 27 HH11 ARG 27 -1.017 -8.053 -1.700 215 HH12 ARG 27 HH12 ARG 27 -0.787 -6.518 -2.466 216 HH21 ARG 27 HH21 ARG 27 1.012 -7.809 -5.198 217 HH22 ARG 27 HH22 ARG 27 0.364 -6.378 -4.461 218 H LEU 28 HN LEU 28 4.437 -12.062 -1.239 219 HA LEU 28 HA LEU 28 6.239 -10.859 -3.012 220 HB2 LEU 28 HB2 LEU 28 6.703 -11.956 -0.248 221 HB3 LEU 28 HB1 LEU 28 7.813 -10.917 -1.114 222 HG LEU 28 HG LEU 28 4.999 -10.074 -0.486 223 HD11 LEU 28 HD11 LEU 28 6.108 -10.577 1.599 224 HD12 LEU 28 HD12 LEU 28 5.952 -8.833 1.388 225 HD13 LEU 28 HD13 LEU 28 7.503 -9.620 1.110 226 HD21 LEU 28 HD21 LEU 28 7.503 -8.587 -1.249 227 HD22 LEU 28 HD22 LEU 28 5.974 -7.835 -0.802 228 HD23 LEU 28 HD23 LEU 28 6.076 -8.831 -2.255 229 H LYS 29 HN LYS 29 5.995 -14.140 -1.907 230 HA LYS 29 HA LYS 29 8.536 -15.028 -2.676 231 HB2 LYS 29 HB2 LYS 29 5.937 -16.568 -2.617 232 HB3 LYS 29 HB1 LYS 29 7.535 -17.290 -2.750 233 HG2 LYS 29 HG2 LYS 29 8.149 -16.405 -0.576 234 HG3 LYS 29 HG1 LYS 29 6.583 -15.605 -0.444 235 HD2 LYS 29 HD2 LYS 29 6.563 -17.641 0.851 236 HD3 LYS 29 HD1 LYS 29 5.489 -17.820 -0.534 237 HE2 LYS 29 HE2 LYS 29 7.074 -19.157 -1.693 238 HE3 LYS 29 HE1 LYS 29 8.336 -18.789 -0.518 239 HZ1 LYS 29 HZ1 LYS 29 5.850 -20.286 0.089 240 HZ2 LYS 29 HZ2 LYS 29 7.150 -20.024 1.140 241 HZ3 LYS 29 HZ3 LYS 29 7.347 -21.000 -0.219 242 H SER 30 HN SER 30 5.523 -14.879 -4.537 243 HA SER 30 HA SER 30 6.911 -15.797 -6.919 244 HB2 SER 30 HB2 SER 30 4.603 -16.576 -6.523 245 HB3 SER 30 HB1 SER 30 4.024 -14.911 -6.595 246 HG SER 30 HG SER 30 5.015 -16.556 -8.651 247 H GLU 31 HN GLU 31 5.561 -12.788 -5.666 248 HA GLU 31 HA GLU 31 5.964 -11.387 -8.130 249 HB2 GLU 31 HB2 GLU 31 5.221 -10.423 -5.371 250 HB3 GLU 31 HB1 GLU 31 5.373 -9.358 -6.761 251 HG2 GLU 31 HG2 GLU 31 3.628 -10.653 -7.919 252 HG3 GLU 31 HG1 GLU 31 3.455 -11.664 -6.487 253 H ARG 32 HN ARG 32 7.318 -9.716 -8.514 254 HA ARG 32 HA ARG 32 9.980 -9.964 -8.297 255 HB2 ARG 32 HB2 ARG 32 8.356 -7.467 -8.486 256 HB3 ARG 32 HB1 ARG 32 10.109 -7.394 -8.466 257 HG2 ARG 32 HG2 ARG 32 10.146 -8.895 -10.430 258 HG3 ARG 32 HG1 ARG 32 8.383 -8.824 -10.471 259 HD2 ARG 32 HD2 ARG 32 9.461 -7.241 -12.036 260 HD3 ARG 32 HD1 ARG 32 8.440 -6.445 -10.836 261 HE ARG 32 HE ARG 32 11.143 -6.581 -9.960 262 HH11 ARG 32 HH11 ARG 32 9.030 -4.841 -12.138 263 HH12 ARG 32 HH12 ARG 32 9.961 -3.388 -12.097 264 HH21 ARG 32 HH21 ARG 32 12.385 -4.636 -9.875 265 HH22 ARG 32 HH22 ARG 32 11.881 -3.270 -10.811 266 H HIS 33 HN HIS 33 11.708 -9.150 -7.143 267 HA HIS 33 HA HIS 33 11.467 -9.213 -4.331 268 HB2 HIS 33 HB2 HIS 33 13.761 -8.266 -6.063 269 HB3 HIS 33 HB1 HIS 33 13.862 -8.547 -4.330 270 HD2 HIS 33 HD2 HIS 33 13.618 -11.318 -3.592 271 HE1 HIS 33 HE1 HIS 33 14.562 -12.705 -7.482 272 HE2 HIS 33 HE2 HIS 33 14.075 -13.360 -5.109 273 H ASP 34 HN ASP 34 11.569 -6.610 -6.655 274 HA ASP 34 HA ASP 34 12.036 -4.461 -4.870 275 HB2 ASP 34 HB2 ASP 34 10.607 -4.507 -7.538 276 HB3 ASP 34 HB1 ASP 34 10.988 -3.039 -6.649 277 H HIS 35 HN HIS 35 9.260 -6.320 -5.603 278 HA HIS 35 HA HIS 35 7.244 -4.539 -4.772 279 HB2 HIS 35 HB2 HIS 35 6.731 -6.526 -6.122 280 HB3 HIS 35 HB1 HIS 35 7.242 -7.576 -4.806 281 HD2 HIS 35 HD2 HIS 35 4.576 -4.651 -4.801 282 HE1 HIS 35 HE1 HIS 35 2.889 -8.185 -3.193 283 HE2 HIS 35 HE2 HIS 35 2.729 -5.683 -3.341 284 H ASP 36 HN ASP 36 9.491 -6.442 -2.996 285 HA ASP 36 HA ASP 36 8.127 -6.730 -0.538 286 HB2 ASP 36 HB2 ASP 36 10.206 -7.948 -0.923 287 HB3 ASP 36 HB1 ASP 36 11.106 -6.438 -1.052 288 H LYS 37 HN LYS 37 10.030 -4.109 -1.854 289 HA LYS 37 HA LYS 37 10.140 -2.477 0.439 290 HB2 LYS 37 HB2 LYS 37 10.163 -1.642 -2.469 291 HB3 LYS 37 HB1 LYS 37 10.727 -0.681 -1.111 292 HG2 LYS 37 HG2 LYS 37 12.563 -2.158 -0.726 293 HG3 LYS 37 HG1 LYS 37 11.929 -3.332 -1.880 294 HD2 LYS 37 HD2 LYS 37 13.737 -2.114 -2.916 295 HD3 LYS 37 HD1 LYS 37 12.219 -1.648 -3.683 296 HE2 LYS 37 HE2 LYS 37 13.532 0.330 -3.330 297 HE3 LYS 37 HE1 LYS 37 12.166 0.365 -2.221 298 HZ1 LYS 37 HZ1 LYS 37 14.185 1.024 -1.107 299 HZ2 LYS 37 HZ2 LYS 37 14.951 -0.418 -1.541 300 HZ3 LYS 37 HZ3 LYS 37 13.646 -0.442 -0.468 301 H LYS 38 HN LYS 38 7.780 -2.811 -2.140 302 HA LYS 38 HA LYS 38 6.264 -0.503 -1.368 303 HB2 LYS 38 HB2 LYS 38 6.174 -1.423 -3.688 304 HB3 LYS 38 HB1 LYS 38 5.308 -2.826 -3.064 305 HG2 LYS 38 HG2 LYS 38 3.476 -1.416 -2.354 306 HG3 LYS 38 HG1 LYS 38 4.350 0.022 -2.879 307 HD2 LYS 38 HD2 LYS 38 4.341 -0.881 -5.188 308 HD3 LYS 38 HD1 LYS 38 3.349 -2.227 -4.621 309 HE2 LYS 38 HE2 LYS 38 1.606 -0.672 -3.930 310 HE3 LYS 38 HE1 LYS 38 2.603 0.692 -4.434 311 HZ1 LYS 38 HZ1 LYS 38 0.962 0.173 -6.104 312 HZ2 LYS 38 HZ2 LYS 38 1.507 -1.420 -6.207 313 HZ3 LYS 38 HZ3 LYS 38 2.505 -0.157 -6.713 314 H GLU 39 HN GLU 39 5.978 -3.964 -0.782 315 HA GLU 39 HA GLU 39 3.548 -3.785 0.658 316 HB2 GLU 39 HB2 GLU 39 5.699 -5.900 0.757 317 HB3 GLU 39 HB1 GLU 39 4.154 -6.027 1.581 318 HG2 GLU 39 HG2 GLU 39 4.668 -5.959 -1.376 319 HG3 GLU 39 HG1 GLU 39 3.947 -7.246 -0.413 320 H ALA 40 HN ALA 40 6.776 -3.079 1.491 321 HA ALA 40 HA ALA 40 6.530 -3.226 4.318 322 HB1 ALA 40 HB1 ALA 40 8.314 -1.374 2.708 323 HB2 ALA 40 HB2 ALA 40 8.742 -3.006 3.233 324 HB3 ALA 40 HB3 ALA 40 8.472 -1.739 4.424 325 H GLU 41 HN GLU 41 5.951 -0.664 1.967 326 HA GLU 41 HA GLU 41 5.020 1.180 3.962 327 HB2 GLU 41 HB2 GLU 41 4.768 1.284 0.951 328 HB3 GLU 41 HB1 GLU 41 4.349 2.589 2.049 329 HG2 GLU 41 HG2 GLU 41 6.711 2.620 2.819 330 HG3 GLU 41 HG1 GLU 41 7.082 1.435 1.567 331 H ARG 42 HN ARG 42 3.534 -1.117 1.752 332 HA ARG 42 HA ARG 42 0.879 -0.260 1.892 333 HB2 ARG 42 HB2 ARG 42 1.743 -2.158 0.424 334 HB3 ARG 42 HB1 ARG 42 1.625 -3.195 1.842 335 HG2 ARG 42 HG2 ARG 42 -0.852 -2.024 1.758 336 HG3 ARG 42 HG1 ARG 42 -0.458 -2.213 0.051 337 HD2 ARG 42 HD2 ARG 42 -1.541 -4.209 0.619 338 HD3 ARG 42 HD1 ARG 42 0.171 -4.624 0.657 339 HE ARG 42 HE ARG 42 -1.529 -4.169 3.031 340 HH11 ARG 42 HH11 ARG 42 1.292 -5.627 1.521 341 HH12 ARG 42 HH12 ARG 42 1.763 -6.449 2.984 342 HH21 ARG 42 HH21 ARG 42 -0.902 -5.336 4.936 343 HH22 ARG 42 HH22 ARG 42 0.552 -6.292 4.869 344 H LYS 43 HN LYS 43 2.540 -2.563 4.062 345 HA LYS 43 HA LYS 43 0.218 -2.806 5.703 346 HB2 LYS 43 HB2 LYS 43 1.708 -4.005 7.304 347 HB3 LYS 43 HB1 LYS 43 1.672 -4.684 5.686 348 HG2 LYS 43 HG2 LYS 43 3.809 -3.715 5.183 349 HG3 LYS 43 HG1 LYS 43 3.831 -2.881 6.740 350 HD2 LYS 43 HD2 LYS 43 4.040 -4.897 7.934 351 HD3 LYS 43 HD1 LYS 43 3.593 -5.867 6.528 352 HE2 LYS 43 HE2 LYS 43 6.091 -4.204 6.764 353 HE3 LYS 43 HE1 LYS 43 6.006 -5.945 7.035 354 HZ1 LYS 43 HZ1 LYS 43 5.360 -4.549 4.498 355 HZ2 LYS 43 HZ2 LYS 43 5.227 -6.210 4.745 356 HZ3 LYS 43 HZ3 LYS 43 6.751 -5.465 4.802 357 H ALA 44 HN ALA 44 2.755 -0.573 5.501 358 HA ALA 44 HA ALA 44 2.753 0.360 8.188 359 HB1 ALA 44 HB1 ALA 44 4.587 0.936 6.658 360 HB2 ALA 44 HB2 ALA 44 3.823 2.386 7.306 361 HB3 ALA 44 HB3 ALA 44 3.468 1.873 5.662 362 H LEU 45 HN LEU 45 0.951 1.231 5.305 363 HA LEU 45 HA LEU 45 -0.578 3.279 6.686 364 HB2 LEU 45 HB2 LEU 45 -1.055 2.139 3.935 365 HB3 LEU 45 HB1 LEU 45 -1.630 3.668 4.563 366 HG LEU 45 HG LEU 45 1.260 3.006 3.992 367 HD11 LEU 45 HD11 LEU 45 -0.696 4.713 2.464 368 HD12 LEU 45 HD12 LEU 45 -0.064 3.147 1.955 369 HD13 LEU 45 HD13 LEU 45 1.020 4.530 2.104 370 HD21 LEU 45 HD21 LEU 45 1.641 5.394 4.328 371 HD22 LEU 45 HD22 LEU 45 0.991 4.643 5.786 372 HD23 LEU 45 HD23 LEU 45 -0.057 5.610 4.749 373 H GLU 46 HN GLU 46 -0.714 -0.029 6.166 374 HA GLU 46 HA GLU 46 -3.602 -0.314 6.277 375 HB2 GLU 46 HB2 GLU 46 -2.138 -1.841 4.930 376 HB3 GLU 46 HB1 GLU 46 -1.448 -2.427 6.436 377 HG2 GLU 46 HG2 GLU 46 -3.646 -3.261 7.097 378 HG3 GLU 46 HG1 GLU 46 -4.294 -2.721 5.544 379 H ASP 47 HN ASP 47 -0.882 -1.456 8.241 380 HA ASP 47 HA ASP 47 -2.463 -2.212 10.469 381 HB2 ASP 47 HB2 ASP 47 -0.327 -3.261 10.259 382 HB3 ASP 47 HB1 ASP 47 0.512 -1.718 10.179 383 H LYS 48 HN LYS 48 -0.575 0.711 9.816 384 HA LYS 48 HA LYS 48 -1.994 1.976 12.045 385 HB2 LYS 48 HB2 LYS 48 0.954 2.170 11.386 386 HB3 LYS 48 HB1 LYS 48 0.181 3.221 12.547 387 HG2 LYS 48 HG2 LYS 48 -0.405 1.287 13.914 388 HG3 LYS 48 HG1 LYS 48 0.386 0.231 12.744 389 HD2 LYS 48 HD2 LYS 48 1.714 2.423 14.340 390 HD3 LYS 48 HD1 LYS 48 1.839 0.691 14.652 391 HE2 LYS 48 HE2 LYS 48 2.742 2.067 12.120 392 HE3 LYS 48 HE1 LYS 48 3.794 1.610 13.451 393 HZ1 LYS 48 HZ1 LYS 48 2.116 -0.430 12.124 394 HZ2 LYS 48 HZ2 LYS 48 3.561 -0.621 12.986 395 HZ3 LYS 48 HZ3 LYS 48 3.589 0.064 11.438 396 H LEU 49 HN LEU 49 -1.332 4.618 11.773 397 HA LEU 49 HA LEU 49 -2.431 5.476 9.379 398 HB2 LEU 49 HB2 LEU 49 -0.581 6.962 11.250 399 HB3 LEU 49 HB1 LEU 49 -1.535 7.701 9.982 400 HG LEU 49 HG LEU 49 -2.664 6.269 12.388 401 HD11 LEU 49 HD11 LEU 49 -1.610 8.365 13.003 402 HD12 LEU 49 HD12 LEU 49 -3.364 8.497 13.107 403 HD13 LEU 49 HD13 LEU 49 -2.506 9.205 11.739 404 HD21 LEU 49 HD21 LEU 49 -4.125 6.073 10.465 405 HD22 LEU 49 HD22 LEU 49 -4.006 7.808 10.172 406 HD23 LEU 49 HD23 LEU 49 -4.801 7.214 11.627 407 H ALA 50 HN ALA 50 1.000 5.466 10.392 408 HA ALA 50 HA ALA 50 1.860 4.568 7.829 409 HB1 ALA 50 HB1 ALA 50 1.411 6.927 7.277 410 HB2 ALA 50 HB2 ALA 50 3.121 6.520 7.133 411 HB3 ALA 50 HB3 ALA 50 2.545 7.421 8.535 412 H ASP 51 HN ASP 51 4.121 4.187 7.722 413 HA ASP 51 HA ASP 51 5.527 4.357 10.301 414 HB2 ASP 51 HB2 ASP 51 5.535 2.157 8.242 415 HB3 ASP 51 HB1 ASP 51 6.944 2.414 9.258 416 H TYR 52 HN TYR 52 6.571 6.228 9.972 417 HA TYR 52 HA TYR 52 8.296 6.366 7.599 418 HB2 TYR 52 HB2 TYR 52 6.414 8.092 7.841 419 HB3 TYR 52 HB1 TYR 52 7.334 8.743 9.189 420 HD1 TYR 52 HD1 TYR 52 7.209 8.310 5.565 421 HD2 TYR 52 HD2 TYR 52 9.422 9.939 8.808 422 HE1 TYR 52 HE1 TYR 52 8.523 9.647 3.986 423 HE2 TYR 52 HE2 TYR 52 10.748 11.285 7.233 424 HH TYR 52 HH TYR 52 11.393 11.231 4.864 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 -1.806 -16.644 10.499 2 H2 GLY 1 HT2 GLY 1 -0.506 -16.227 9.501 3 H3 GLY 1 HT3 GLY 1 -1.323 -15.025 10.371 4 HA2 GLY 1 HA1 GLY 1 -0.574 -15.977 12.446 5 HA3 GLY 1 HA2 GLY 1 0.290 -17.212 11.538 6 H SER 2 HN SER 2 1.394 -15.273 13.385 7 HA SER 2 HA SER 2 2.680 -13.248 11.821 8 HB2 SER 2 HB2 SER 2 3.345 -14.178 14.621 9 HB3 SER 2 HB1 SER 2 3.808 -12.648 13.873 10 HG SER 2 HG SER 2 1.190 -12.841 13.647 11 H VAL 3 HN VAL 3 3.756 -14.381 10.204 12 HA VAL 3 HA VAL 3 5.530 -16.504 10.543 13 HB VAL 3 HB VAL 3 5.733 -14.301 8.475 14 HG11 VAL 3 HG11 VAL 3 6.860 -15.995 7.102 15 HG12 VAL 3 HG12 VAL 3 6.780 -17.132 8.448 16 HG13 VAL 3 HG13 VAL 3 7.747 -15.664 8.590 17 HG21 VAL 3 HG21 VAL 3 4.217 -16.909 8.379 18 HG22 VAL 3 HG22 VAL 3 4.404 -15.782 7.037 19 HG23 VAL 3 HG23 VAL 3 3.509 -15.297 8.478 20 H GLU 4 HN GLU 4 6.223 -13.018 10.416 21 HA GLU 4 HA GLU 4 8.378 -13.421 12.256 22 HB2 GLU 4 HB2 GLU 4 9.605 -13.846 10.295 23 HB3 GLU 4 HB1 GLU 4 8.896 -12.527 9.406 24 HG2 GLU 4 HG2 GLU 4 10.102 -10.952 10.901 25 HG3 GLU 4 HG1 GLU 4 10.831 -12.339 11.712 26 H LYS 5 HN LYS 5 8.107 -10.590 10.127 27 HA LYS 5 HA LYS 5 7.827 -8.391 10.629 28 HB2 LYS 5 HB2 LYS 5 5.444 -9.637 11.987 29 HB3 LYS 5 HB1 LYS 5 5.648 -7.899 11.821 30 HG2 LYS 5 HG2 LYS 5 5.768 -8.211 9.358 31 HG3 LYS 5 HG1 LYS 5 5.389 -9.918 9.603 32 HD2 LYS 5 HD2 LYS 5 3.261 -9.365 10.572 33 HD3 LYS 5 HD1 LYS 5 3.654 -7.646 10.565 34 HE2 LYS 5 HE2 LYS 5 3.274 -9.411 8.148 35 HE3 LYS 5 HE1 LYS 5 2.159 -8.176 8.728 36 HZ1 LYS 5 HZ1 LYS 5 4.879 -7.755 7.632 37 HZ2 LYS 5 HZ2 LYS 5 3.970 -6.526 8.348 38 HZ3 LYS 5 HZ3 LYS 5 3.418 -7.290 6.919 39 H LEU 6 HN LEU 6 9.680 -9.665 12.406 40 HA LEU 6 HA LEU 6 10.999 -8.995 14.121 41 HB2 LEU 6 HB2 LEU 6 8.895 -6.934 14.779 42 HB3 LEU 6 HB1 LEU 6 10.518 -6.999 15.434 43 HG LEU 6 HG LEU 6 9.813 -6.488 12.543 44 HD11 LEU 6 HD11 LEU 6 10.647 -4.223 12.981 45 HD12 LEU 6 HD12 LEU 6 10.820 -4.631 14.688 46 HD13 LEU 6 HD13 LEU 6 9.222 -4.612 13.945 47 HD21 LEU 6 HD21 LEU 6 12.486 -6.473 13.942 48 HD22 LEU 6 HD22 LEU 6 12.196 -5.975 12.276 49 HD23 LEU 6 HD23 LEU 6 11.938 -7.653 12.751 50 H THR 7 HN THR 7 7.914 -10.139 14.460 51 HA THR 7 HA THR 7 7.050 -11.735 15.799 52 HB THR 7 HB THR 7 9.581 -11.501 17.457 53 HG1 THR 7 HG1 THR 7 8.883 -13.465 15.509 54 HG21 THR 7 HG21 THR 7 7.721 -12.533 18.689 55 HG22 THR 7 HG22 THR 7 8.959 -13.726 18.294 56 HG23 THR 7 HG23 THR 7 7.466 -13.662 17.358 57 H ALA 8 HN ALA 8 8.641 -9.240 17.704 58 HA ALA 8 HA ALA 8 6.499 -9.320 19.694 59 HB1 ALA 8 HB1 ALA 8 8.851 -8.961 20.412 60 HB2 ALA 8 HB2 ALA 8 7.759 -7.693 20.954 61 HB3 ALA 8 HB3 ALA 8 8.836 -7.398 19.593 62 H ASP 9 HN ASP 9 7.768 -7.021 17.346 63 HA ASP 9 HA ASP 9 5.678 -5.130 17.802 64 HB2 ASP 9 HB2 ASP 9 7.600 -5.358 15.468 65 HB3 ASP 9 HB1 ASP 9 6.571 -3.972 15.822 66 H ALA 10 HN ALA 10 6.145 -7.931 16.019 67 HA ALA 10 HA ALA 10 4.154 -7.769 14.040 68 HB1 ALA 10 HB1 ALA 10 4.144 -10.205 14.001 69 HB2 ALA 10 HB2 ALA 10 5.008 -10.259 15.533 70 HB3 ALA 10 HB3 ALA 10 5.798 -9.608 14.093 71 H GLU 11 HN GLU 11 3.977 -8.360 17.463 72 HA GLU 11 HA GLU 11 1.297 -9.302 17.555 73 HB2 GLU 11 HB2 GLU 11 2.951 -7.845 19.645 74 HB3 GLU 11 HB1 GLU 11 1.371 -8.545 19.946 75 HG2 GLU 11 HG2 GLU 11 2.173 -10.746 19.616 76 HG3 GLU 11 HG1 GLU 11 3.707 -10.176 18.974 77 H LEU 12 HN LEU 12 2.819 -6.144 17.768 78 HA LEU 12 HA LEU 12 0.499 -4.539 18.029 79 HB2 LEU 12 HB2 LEU 12 3.147 -3.986 16.661 80 HB3 LEU 12 HB1 LEU 12 1.891 -2.789 16.813 81 HG LEU 12 HG LEU 12 2.178 -2.656 19.188 82 HD11 LEU 12 HD11 LEU 12 4.106 -4.962 18.930 83 HD12 LEU 12 HD12 LEU 12 2.526 -5.012 19.704 84 HD13 LEU 12 HD13 LEU 12 3.813 -4.025 20.393 85 HD21 LEU 12 HD21 LEU 12 4.480 -1.919 19.315 86 HD22 LEU 12 HD22 LEU 12 3.773 -1.451 17.765 87 HD23 LEU 12 HD23 LEU 12 4.867 -2.837 17.857 88 H GLN 13 HN GLN 13 2.281 -5.691 15.225 89 HA GLN 13 HA GLN 13 0.615 -4.571 13.250 90 HB2 GLN 13 HB2 GLN 13 2.444 -6.976 13.072 91 HB3 GLN 13 HB1 GLN 13 1.745 -6.122 11.703 92 HG2 GLN 13 HG2 GLN 13 3.605 -4.891 13.723 93 HG3 GLN 13 HG1 GLN 13 4.085 -5.499 12.138 94 HE21 GLN 13 HE21 GLN 13 3.627 -4.325 10.333 95 HE22 GLN 13 HE22 GLN 13 2.995 -2.719 10.387 96 H ARG 14 HN ARG 14 0.196 -7.260 15.297 97 HA ARG 14 HA ARG 14 -1.611 -8.703 13.579 98 HB2 ARG 14 HB2 ARG 14 -0.275 -9.817 15.384 99 HB3 ARG 14 HB1 ARG 14 -1.280 -8.995 16.572 100 HG2 ARG 14 HG2 ARG 14 -3.245 -10.158 15.718 101 HG3 ARG 14 HG1 ARG 14 -2.241 -10.972 14.515 102 HD2 ARG 14 HD2 ARG 14 -2.031 -11.213 17.512 103 HD3 ARG 14 HD1 ARG 14 -2.607 -12.446 16.389 104 HE ARG 14 HE ARG 14 -0.277 -12.349 15.440 105 HH11 ARG 14 HH11 ARG 14 -0.936 -11.574 18.803 106 HH12 ARG 14 HH12 ARG 14 0.640 -12.023 19.352 107 HH21 ARG 14 HH21 ARG 14 1.814 -12.911 16.156 108 HH22 ARG 14 HH22 ARG 14 2.225 -12.781 17.835 109 H LEU 15 HN LEU 15 -1.816 -6.164 15.873 110 HA LEU 15 HA LEU 15 -4.629 -6.301 16.373 111 HB2 LEU 15 HB2 LEU 15 -2.760 -3.927 16.534 112 HB3 LEU 15 HB1 LEU 15 -4.389 -3.973 17.172 113 HG LEU 15 HG LEU 15 -2.055 -5.611 18.141 114 HD11 LEU 15 HD11 LEU 15 -3.545 -3.324 19.411 115 HD12 LEU 15 HD12 LEU 15 -1.904 -3.272 18.768 116 HD13 LEU 15 HD13 LEU 15 -2.269 -4.273 20.173 117 HD21 LEU 15 HD21 LEU 15 -4.906 -5.499 19.121 118 HD22 LEU 15 HD22 LEU 15 -3.579 -6.330 19.931 119 HD23 LEU 15 HD23 LEU 15 -4.120 -6.874 18.345 120 H LYS 16 HN LYS 16 -2.593 -4.571 14.141 121 HA LYS 16 HA LYS 16 -4.884 -3.396 12.730 122 HB2 LYS 16 HB2 LYS 16 -2.715 -2.131 13.106 123 HB3 LYS 16 HB1 LYS 16 -1.963 -3.230 11.957 124 HG2 LYS 16 HG2 LYS 16 -3.584 -2.456 10.245 125 HG3 LYS 16 HG1 LYS 16 -4.185 -1.275 11.412 126 HD2 LYS 16 HD2 LYS 16 -1.902 -0.341 11.582 127 HD3 LYS 16 HD1 LYS 16 -1.376 -1.470 10.331 128 HE2 LYS 16 HE2 LYS 16 -3.082 -0.465 8.816 129 HE3 LYS 16 HE1 LYS 16 -3.406 0.740 10.062 130 HZ1 LYS 16 HZ1 LYS 16 -1.869 1.653 8.510 131 HZ2 LYS 16 HZ2 LYS 16 -0.861 0.306 8.612 132 HZ3 LYS 16 HZ3 LYS 16 -1.017 1.343 9.940 133 H ASN 17 HN ASN 17 -3.161 -6.203 12.673 134 HA ASN 17 HA ASN 17 -2.882 -6.866 9.997 135 HB2 ASN 17 HB2 ASN 17 -1.942 -8.262 11.742 136 HB3 ASN 17 HB1 ASN 17 -3.555 -8.713 12.299 137 HD21 ASN 17 HD21 ASN 17 -3.373 -10.843 11.959 138 HD22 ASN 17 HD22 ASN 17 -3.180 -11.566 10.398 139 H GLU 18 HN GLU 18 -4.218 -7.060 8.456 140 HA GLU 18 HA GLU 18 -7.069 -7.330 8.829 141 HB2 GLU 18 HB2 GLU 18 -5.411 -7.282 6.302 142 HB3 GLU 18 HB1 GLU 18 -7.165 -7.168 6.376 143 HG2 GLU 18 HG2 GLU 18 -7.033 -5.052 7.497 144 HG3 GLU 18 HG1 GLU 18 -5.280 -5.187 7.625 145 H ARG 19 HN ARG 19 -4.688 -9.479 9.064 146 HA ARG 19 HA ARG 19 -4.591 -11.721 9.199 147 HB2 ARG 19 HB2 ARG 19 -7.044 -11.626 9.753 148 HB3 ARG 19 HB1 ARG 19 -7.386 -11.868 8.046 149 HG2 ARG 19 HG2 ARG 19 -6.330 -14.032 8.087 150 HG3 ARG 19 HG1 ARG 19 -5.797 -13.780 9.750 151 HD2 ARG 19 HD2 ARG 19 -8.663 -13.919 8.831 152 HD3 ARG 19 HD1 ARG 19 -7.778 -15.237 9.596 153 HE ARG 19 HE ARG 19 -8.766 -12.805 10.867 154 HH11 ARG 19 HH11 ARG 19 -6.930 -15.790 11.175 155 HH12 ARG 19 HH12 ARG 19 -7.006 -15.810 12.902 156 HH21 ARG 19 HH21 ARG 19 -8.859 -12.842 13.168 157 HH22 ARG 19 HH22 ARG 19 -8.104 -14.129 14.036 158 H HIS 20 HN HIS 20 -3.425 -10.410 7.070 159 HA HIS 20 HA HIS 20 -3.677 -12.454 4.979 160 HB2 HIS 20 HB2 HIS 20 -3.376 -9.473 4.591 161 HB3 HIS 20 HB1 HIS 20 -3.083 -10.645 3.312 162 HD2 HIS 20 HD2 HIS 20 -6.057 -8.999 5.195 163 HE1 HIS 20 HE1 HIS 20 -7.641 -11.470 2.142 164 HE2 HIS 20 HE2 HIS 20 -8.172 -9.937 4.061 165 H GLU 21 HN GLU 21 -1.824 -12.243 7.273 166 HA GLU 21 HA GLU 21 0.696 -11.259 6.439 167 HB2 GLU 21 HB2 GLU 21 0.519 -13.628 8.268 168 HB3 GLU 21 HB1 GLU 21 1.611 -12.258 8.332 169 HG2 GLU 21 HG2 GLU 21 0.297 -11.762 10.101 170 HG3 GLU 21 HG1 GLU 21 -0.641 -10.965 8.837 171 H GLU 22 HN GLU 22 -0.758 -14.463 6.277 172 HA GLU 22 HA GLU 22 1.399 -15.828 5.121 173 HB2 GLU 22 HB2 GLU 22 -0.626 -16.963 6.030 174 HB3 GLU 22 HB1 GLU 22 -1.553 -16.355 4.664 175 HG2 GLU 22 HG2 GLU 22 -0.121 -17.639 3.149 176 HG3 GLU 22 HG1 GLU 22 0.758 -18.272 4.540 177 H ALA 23 HN ALA 23 -1.231 -13.997 3.665 178 HA ALA 23 HA ALA 23 -0.540 -14.510 0.967 179 HB1 ALA 23 HB1 ALA 23 -2.004 -12.653 0.385 180 HB2 ALA 23 HB2 ALA 23 -2.047 -12.122 2.062 181 HB3 ALA 23 HB3 ALA 23 -2.770 -13.668 1.604 182 H GLU 24 HN GLU 24 0.416 -12.010 3.249 183 HA GLU 24 HA GLU 24 1.787 -10.291 1.509 184 HB2 GLU 24 HB2 GLU 24 1.351 -9.710 3.877 185 HB3 GLU 24 HB1 GLU 24 2.496 -10.939 4.397 186 HG2 GLU 24 HG2 GLU 24 4.271 -9.683 3.179 187 HG3 GLU 24 HG1 GLU 24 3.087 -8.411 2.882 188 H LEU 25 HN LEU 25 2.970 -13.114 3.290 189 HA LEU 25 HA LEU 25 5.609 -12.938 2.216 190 HB2 LEU 25 HB2 LEU 25 4.131 -14.957 3.850 191 HB3 LEU 25 HB1 LEU 25 5.616 -15.442 3.061 192 HG LEU 25 HG LEU 25 6.063 -14.851 5.358 193 HD11 LEU 25 HD11 LEU 25 7.787 -14.346 3.722 194 HD12 LEU 25 HD12 LEU 25 7.812 -13.200 5.059 195 HD13 LEU 25 HD13 LEU 25 7.124 -12.726 3.508 196 HD21 LEU 25 HD21 LEU 25 5.722 -12.601 6.232 197 HD22 LEU 25 HD22 LEU 25 4.189 -13.327 5.755 198 HD23 LEU 25 HD23 LEU 25 4.955 -12.116 4.722 199 H GLU 26 HN GLU 26 2.734 -14.825 1.431 200 HA GLU 26 HA GLU 26 3.893 -16.487 -0.506 201 HB2 GLU 26 HB2 GLU 26 1.663 -16.869 0.484 202 HB3 GLU 26 HB1 GLU 26 1.051 -15.466 -0.377 203 HG2 GLU 26 HG2 GLU 26 0.410 -17.515 -1.499 204 HG3 GLU 26 HG1 GLU 26 1.504 -16.569 -2.508 205 H ARG 27 HN ARG 27 2.230 -13.387 -0.839 206 HA ARG 27 HA ARG 27 2.446 -13.212 -3.654 207 HB2 ARG 27 HB2 ARG 27 0.885 -11.822 -2.306 208 HB3 ARG 27 HB1 ARG 27 2.261 -10.927 -1.672 209 HG2 ARG 27 HG2 ARG 27 2.725 -9.985 -3.797 210 HG3 ARG 27 HG1 ARG 27 1.582 -11.070 -4.595 211 HD2 ARG 27 HD2 ARG 27 0.896 -8.931 -2.581 212 HD3 ARG 27 HD1 ARG 27 0.616 -8.846 -4.321 213 HE ARG 27 HE ARG 27 -0.633 -11.148 -3.428 214 HH11 ARG 27 HH11 ARG 27 -0.953 -7.701 -2.905 215 HH12 ARG 27 HH12 ARG 27 -2.648 -7.792 -2.561 216 HH21 ARG 27 HH21 ARG 27 -2.843 -11.268 -2.974 217 HH22 ARG 27 HH22 ARG 27 -3.729 -9.825 -2.592 218 H LEU 28 HN LEU 28 4.537 -12.124 -1.062 219 HA LEU 28 HA LEU 28 6.407 -10.666 -2.567 220 HB2 LEU 28 HB2 LEU 28 6.369 -10.662 -0.093 221 HB3 LEU 28 HB1 LEU 28 6.901 -12.334 -0.079 222 HG LEU 28 HG LEU 28 9.021 -11.582 -1.180 223 HD11 LEU 28 HD11 LEU 28 8.181 -9.492 -2.118 224 HD12 LEU 28 HD12 LEU 28 9.590 -9.225 -1.091 225 HD13 LEU 28 HD13 LEU 28 7.975 -8.845 -0.491 226 HD21 LEU 28 HD21 LEU 28 8.903 -12.029 1.211 227 HD22 LEU 28 HD22 LEU 28 8.355 -10.380 1.504 228 HD23 LEU 28 HD23 LEU 28 9.979 -10.671 0.882 229 H LYS 29 HN LYS 29 6.226 -14.132 -1.896 230 HA LYS 29 HA LYS 29 8.673 -14.666 -3.328 231 HB2 LYS 29 HB2 LYS 29 7.965 -16.114 -1.435 232 HB3 LYS 29 HB1 LYS 29 6.581 -16.650 -2.382 233 HG2 LYS 29 HG2 LYS 29 8.118 -17.579 -4.059 234 HG3 LYS 29 HG1 LYS 29 9.481 -17.080 -3.064 235 HD2 LYS 29 HD2 LYS 29 7.327 -18.993 -2.151 236 HD3 LYS 29 HD1 LYS 29 8.859 -19.499 -2.853 237 HE2 LYS 29 HE2 LYS 29 9.328 -19.642 -0.599 238 HE3 LYS 29 HE1 LYS 29 9.890 -18.015 -0.966 239 HZ1 LYS 29 HZ1 LYS 29 7.829 -17.134 -0.082 240 HZ2 LYS 29 HZ2 LYS 29 8.575 -18.112 1.071 241 HZ3 LYS 29 HZ3 LYS 29 7.251 -18.694 0.202 242 H SER 30 HN SER 30 5.242 -14.742 -4.018 243 HA SER 30 HA SER 30 5.319 -16.194 -6.420 244 HB2 SER 30 HB2 SER 30 3.410 -13.984 -5.617 245 HB3 SER 30 HB1 SER 30 3.137 -15.168 -6.893 246 HG SER 30 HG SER 30 3.484 -15.740 -4.124 247 H GLU 31 HN GLU 31 5.486 -12.704 -5.814 248 HA GLU 31 HA GLU 31 5.826 -12.004 -8.551 249 HB2 GLU 31 HB2 GLU 31 6.485 -10.460 -6.039 250 HB3 GLU 31 HB1 GLU 31 6.394 -9.787 -7.653 251 HG2 GLU 31 HG2 GLU 31 4.128 -10.971 -6.072 252 HG3 GLU 31 HG1 GLU 31 4.385 -9.268 -6.443 253 H ARG 32 HN ARG 32 7.763 -11.407 -9.639 254 HA ARG 32 HA ARG 32 10.036 -12.843 -8.566 255 HB2 ARG 32 HB2 ARG 32 9.310 -13.171 -10.935 256 HB3 ARG 32 HB1 ARG 32 9.844 -11.531 -11.275 257 HG2 ARG 32 HG2 ARG 32 12.115 -12.092 -10.772 258 HG3 ARG 32 HG1 ARG 32 11.641 -13.684 -10.180 259 HD2 ARG 32 HD2 ARG 32 10.818 -14.231 -12.443 260 HD3 ARG 32 HD1 ARG 32 11.416 -12.676 -13.012 261 HE ARG 32 HE ARG 32 13.656 -13.597 -12.109 262 HH11 ARG 32 HH11 ARG 32 11.149 -15.523 -13.640 263 HH12 ARG 32 HH12 ARG 32 12.256 -16.676 -14.297 264 HH21 ARG 32 HH21 ARG 32 15.124 -15.119 -12.994 265 HH22 ARG 32 HH22 ARG 32 14.527 -16.442 -13.935 266 H HIS 33 HN HIS 33 10.508 -9.983 -10.595 267 HA HIS 33 HA HIS 33 12.638 -9.123 -8.962 268 HB2 HIS 33 HB2 HIS 33 12.861 -7.238 -10.430 269 HB3 HIS 33 HB1 HIS 33 12.425 -8.627 -11.410 270 HD2 HIS 33 HD2 HIS 33 9.970 -8.404 -12.748 271 HE1 HIS 33 HE1 HIS 33 9.111 -4.471 -11.422 272 HE2 HIS 33 HE2 HIS 33 8.572 -6.262 -13.103 273 H ASP 34 HN ASP 34 9.283 -8.540 -8.717 274 HA ASP 34 HA ASP 34 9.352 -6.022 -7.415 275 HB2 ASP 34 HB2 ASP 34 7.242 -8.184 -7.331 276 HB3 ASP 34 HB1 ASP 34 7.042 -6.574 -6.669 277 H HIS 35 HN HIS 35 10.221 -9.128 -6.361 278 HA HIS 35 HA HIS 35 9.464 -9.115 -3.666 279 HB2 HIS 35 HB2 HIS 35 11.034 -10.853 -3.288 280 HB3 HIS 35 HB1 HIS 35 10.539 -11.070 -4.956 281 HD2 HIS 35 HD2 HIS 35 13.681 -11.259 -3.074 282 HE1 HIS 35 HE1 HIS 35 14.882 -9.635 -6.801 283 HE2 HIS 35 HE2 HIS 35 15.648 -10.717 -4.669 284 H ASP 36 HN ASP 36 12.133 -7.554 -5.277 285 HA ASP 36 HA ASP 36 13.591 -6.835 -2.945 286 HB2 ASP 36 HB2 ASP 36 14.719 -6.781 -5.090 287 HB3 ASP 36 HB1 ASP 36 13.587 -5.580 -5.705 288 H LYS 37 HN LYS 37 11.251 -5.069 -4.921 289 HA LYS 37 HA LYS 37 11.366 -2.720 -3.331 290 HB2 LYS 37 HB2 LYS 37 10.503 -2.686 -5.664 291 HB3 LYS 37 HB1 LYS 37 9.085 -3.587 -5.134 292 HG2 LYS 37 HG2 LYS 37 8.658 -1.702 -3.513 293 HG3 LYS 37 HG1 LYS 37 9.897 -0.799 -4.384 294 HD2 LYS 37 HD2 LYS 37 8.597 -1.070 -6.457 295 HD3 LYS 37 HD1 LYS 37 7.349 -1.922 -5.542 296 HE2 LYS 37 HE2 LYS 37 8.227 0.942 -5.190 297 HE3 LYS 37 HE1 LYS 37 6.681 0.379 -5.817 298 HZ1 LYS 37 HZ1 LYS 37 6.431 1.053 -3.543 299 HZ2 LYS 37 HZ2 LYS 37 7.690 0.054 -3.045 300 HZ3 LYS 37 HZ3 LYS 37 6.251 -0.629 -3.604 301 H LYS 38 HN LYS 38 9.070 -5.421 -3.441 302 HA LYS 38 HA LYS 38 7.349 -4.379 -1.458 303 HB2 LYS 38 HB2 LYS 38 7.674 -7.122 -2.641 304 HB3 LYS 38 HB1 LYS 38 6.706 -6.912 -1.197 305 HG2 LYS 38 HG2 LYS 38 5.383 -6.867 -3.282 306 HG3 LYS 38 HG1 LYS 38 5.220 -5.410 -2.305 307 HD2 LYS 38 HD2 LYS 38 6.913 -4.319 -3.775 308 HD3 LYS 38 HD1 LYS 38 6.881 -5.756 -4.798 309 HE2 LYS 38 HE2 LYS 38 5.439 -3.960 -5.660 310 HE3 LYS 38 HE1 LYS 38 4.530 -5.415 -5.256 311 HZ1 LYS 38 HZ1 LYS 38 4.764 -3.019 -3.501 312 HZ2 LYS 38 HZ2 LYS 38 3.821 -4.399 -3.209 313 HZ3 LYS 38 HZ3 LYS 38 3.439 -3.377 -4.488 314 H GLU 39 HN GLU 39 10.257 -6.213 -1.237 315 HA GLU 39 HA GLU 39 10.020 -7.103 1.436 316 HB2 GLU 39 HB2 GLU 39 11.823 -7.828 -0.194 317 HB3 GLU 39 HB1 GLU 39 12.618 -6.288 0.111 318 HG2 GLU 39 HG2 GLU 39 13.651 -7.969 1.439 319 HG3 GLU 39 HG1 GLU 39 12.749 -6.890 2.502 320 H ALA 40 HN ALA 40 11.569 -4.221 0.101 321 HA ALA 40 HA ALA 40 12.039 -3.062 2.684 322 HB1 ALA 40 HB1 ALA 40 12.808 -1.096 1.482 323 HB2 ALA 40 HB2 ALA 40 12.168 -1.729 -0.029 324 HB3 ALA 40 HB3 ALA 40 13.511 -2.548 0.778 325 H GLU 41 HN GLU 41 9.585 -2.818 0.230 326 HA GLU 41 HA GLU 41 8.229 -0.521 1.024 327 HB2 GLU 41 HB2 GLU 41 7.731 -1.898 -1.043 328 HB3 GLU 41 HB1 GLU 41 6.890 -3.043 -0.009 329 HG2 GLU 41 HG2 GLU 41 5.347 -1.240 0.650 330 HG3 GLU 41 HG1 GLU 41 6.166 -0.169 -0.487 331 H ARG 42 HN ARG 42 7.729 -3.878 2.143 332 HA ARG 42 HA ARG 42 5.815 -3.031 4.108 333 HB2 ARG 42 HB2 ARG 42 5.770 -5.357 4.829 334 HB3 ARG 42 HB1 ARG 42 5.667 -5.271 3.079 335 HG2 ARG 42 HG2 ARG 42 8.012 -5.883 2.891 336 HG3 ARG 42 HG1 ARG 42 8.159 -5.908 4.648 337 HD2 ARG 42 HD2 ARG 42 6.438 -7.693 4.717 338 HD3 ARG 42 HD1 ARG 42 6.432 -7.710 2.953 339 HE ARG 42 HE ARG 42 8.970 -8.191 3.325 340 HH11 ARG 42 HH11 ARG 42 6.272 -9.482 5.202 341 HH12 ARG 42 HH12 ARG 42 7.149 -10.894 5.681 342 HH21 ARG 42 HH21 ARG 42 10.095 -10.043 3.942 343 HH22 ARG 42 HH22 ARG 42 9.345 -11.231 4.963 344 H LYS 43 HN LYS 43 9.232 -3.792 4.039 345 HA LYS 43 HA LYS 43 9.723 -3.993 6.798 346 HB2 LYS 43 HB2 LYS 43 11.427 -4.591 5.109 347 HB3 LYS 43 HB1 LYS 43 11.595 -2.891 4.685 348 HG2 LYS 43 HG2 LYS 43 12.335 -2.449 7.016 349 HG3 LYS 43 HG1 LYS 43 12.311 -4.190 7.300 350 HD2 LYS 43 HD2 LYS 43 13.935 -4.499 5.491 351 HD3 LYS 43 HD1 LYS 43 13.965 -2.755 5.225 352 HE2 LYS 43 HE2 LYS 43 14.797 -4.188 7.748 353 HE3 LYS 43 HE1 LYS 43 15.879 -3.472 6.557 354 HZ1 LYS 43 HZ1 LYS 43 14.927 -1.300 7.073 355 HZ2 LYS 43 HZ2 LYS 43 15.582 -2.022 8.453 356 HZ3 LYS 43 HZ3 LYS 43 13.913 -2.004 8.227 357 H ALA 44 HN ALA 44 9.736 -1.183 4.673 358 HA ALA 44 HA ALA 44 10.577 0.722 6.553 359 HB1 ALA 44 HB1 ALA 44 8.738 1.174 4.196 360 HB2 ALA 44 HB2 ALA 44 10.504 1.215 4.152 361 HB3 ALA 44 HB3 ALA 44 9.616 2.415 5.083 362 H LEU 45 HN LEU 45 7.440 -0.697 6.007 363 HA LEU 45 HA LEU 45 6.033 1.185 7.634 364 HB2 LEU 45 HB2 LEU 45 4.849 -0.040 5.902 365 HB3 LEU 45 HB1 LEU 45 5.239 -1.571 6.653 366 HG LEU 45 HG LEU 45 3.844 -0.940 8.604 367 HD11 LEU 45 HD11 LEU 45 2.314 0.959 8.406 368 HD12 LEU 45 HD12 LEU 45 3.115 1.444 6.911 369 HD13 LEU 45 HD13 LEU 45 4.001 1.474 8.436 370 HD21 LEU 45 HD21 LEU 45 1.691 -1.223 7.477 371 HD22 LEU 45 HD22 LEU 45 2.918 -2.299 6.808 372 HD23 LEU 45 HD23 LEU 45 2.449 -0.842 5.932 373 H GLU 46 HN GLU 46 7.027 -2.220 8.136 374 HA GLU 46 HA GLU 46 6.209 -2.413 10.810 375 HB2 GLU 46 HB2 GLU 46 8.654 -3.858 9.824 376 HB3 GLU 46 HB1 GLU 46 7.398 -4.432 10.905 377 HG2 GLU 46 HG2 GLU 46 7.173 -4.066 7.919 378 HG3 GLU 46 HG1 GLU 46 7.298 -5.591 8.786 379 H ASP 47 HN ASP 47 9.162 -1.292 9.339 380 HA ASP 47 HA ASP 47 10.818 -1.057 11.598 381 HB2 ASP 47 HB2 ASP 47 11.658 -0.848 9.277 382 HB3 ASP 47 HB1 ASP 47 10.822 0.695 9.121 383 H LYS 48 HN LYS 48 8.549 1.256 10.189 384 HA LYS 48 HA LYS 48 9.155 3.331 12.036 385 HB2 LYS 48 HB2 LYS 48 6.739 2.946 10.262 386 HB3 LYS 48 HB1 LYS 48 7.034 4.382 11.231 387 HG2 LYS 48 HG2 LYS 48 9.104 4.795 10.024 388 HG3 LYS 48 HG1 LYS 48 8.841 3.341 9.063 389 HD2 LYS 48 HD2 LYS 48 6.782 4.313 8.172 390 HD3 LYS 48 HD1 LYS 48 7.054 5.770 9.132 391 HE2 LYS 48 HE2 LYS 48 7.783 6.099 6.829 392 HE3 LYS 48 HE1 LYS 48 9.151 6.166 7.938 393 HZ1 LYS 48 HZ1 LYS 48 8.376 3.839 6.263 394 HZ2 LYS 48 HZ2 LYS 48 9.670 3.865 7.350 395 HZ3 LYS 48 HZ3 LYS 48 9.691 4.865 5.988 396 H LEU 49 HN LEU 49 7.057 0.596 12.170 397 HA LEU 49 HA LEU 49 5.561 1.536 14.434 398 HB2 LEU 49 HB2 LEU 49 5.821 -1.146 13.104 399 HB3 LEU 49 HB1 LEU 49 5.203 -1.069 14.734 400 HG LEU 49 HG LEU 49 3.405 -1.156 13.083 401 HD11 LEU 49 HD11 LEU 49 3.543 1.481 14.530 402 HD12 LEU 49 HD12 LEU 49 3.034 -0.057 15.224 403 HD13 LEU 49 HD13 LEU 49 2.084 0.688 13.940 404 HD21 LEU 49 HD21 LEU 49 4.490 0.001 11.233 405 HD22 LEU 49 HD22 LEU 49 4.460 1.511 12.146 406 HD23 LEU 49 HD23 LEU 49 2.949 0.761 11.632 407 H ALA 50 HN ALA 50 8.485 -0.312 13.969 408 HA ALA 50 HA ALA 50 8.920 -0.930 16.703 409 HB1 ALA 50 HB1 ALA 50 11.220 -1.431 16.000 410 HB2 ALA 50 HB2 ALA 50 10.901 -0.687 14.433 411 HB3 ALA 50 HB3 ALA 50 10.040 -2.152 14.906 412 H ASP 51 HN ASP 51 9.912 1.711 14.590 413 HA ASP 51 HA ASP 51 10.158 3.486 16.846 414 HB2 ASP 51 HB2 ASP 51 12.411 2.604 16.895 415 HB3 ASP 51 HB1 ASP 51 12.596 2.865 15.162 416 H TYR 52 HN TYR 52 9.252 5.304 16.254 417 HA TYR 52 HA TYR 52 8.871 5.899 13.457 418 HB2 TYR 52 HB2 TYR 52 7.012 6.197 15.051 419 HB3 TYR 52 HB1 TYR 52 7.961 7.383 15.937 420 HD1 TYR 52 HD1 TYR 52 6.183 6.719 12.777 421 HD2 TYR 52 HD2 TYR 52 8.132 9.639 15.177 422 HE1 TYR 52 HE1 TYR 52 5.298 8.496 11.328 423 HE2 TYR 52 HE2 TYR 52 7.249 11.422 13.738 424 HH TYR 52 HH TYR 52 4.775 11.009 11.597 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 5.427 -25.419 -1.081 2 H2 GLY 1 HT2 GLY 1 6.272 -26.179 -2.336 3 H3 GLY 1 HT3 GLY 1 5.397 -24.769 -2.644 4 HA2 GLY 1 HA1 GLY 1 7.728 -24.912 -0.831 5 HA3 GLY 1 HA2 GLY 1 7.823 -24.424 -2.516 6 H SER 2 HN SER 2 5.555 -23.668 0.145 7 HA SER 2 HA SER 2 6.083 -20.837 -0.441 8 HB2 SER 2 HB2 SER 2 3.485 -22.004 0.573 9 HB3 SER 2 HB1 SER 2 3.782 -20.340 0.071 10 HG SER 2 HG SER 2 3.228 -22.561 -1.433 11 H VAL 3 HN VAL 3 4.446 -22.641 2.163 12 HA VAL 3 HA VAL 3 5.823 -20.924 4.089 13 HB VAL 3 HB VAL 3 3.318 -21.113 4.113 14 HG11 VAL 3 HG11 VAL 3 3.078 -23.451 3.563 15 HG12 VAL 3 HG12 VAL 3 2.306 -23.113 5.112 16 HG13 VAL 3 HG13 VAL 3 3.876 -23.913 5.067 17 HG21 VAL 3 HG21 VAL 3 4.553 -20.350 6.070 18 HG22 VAL 3 HG22 VAL 3 4.719 -22.015 6.628 19 HG23 VAL 3 HG23 VAL 3 3.124 -21.267 6.539 20 H GLU 4 HN GLU 4 6.220 -23.867 2.688 21 HA GLU 4 HA GLU 4 6.985 -25.400 4.981 22 HB2 GLU 4 HB2 GLU 4 7.684 -25.974 2.105 23 HB3 GLU 4 HB1 GLU 4 7.624 -27.118 3.436 24 HG2 GLU 4 HG2 GLU 4 5.628 -27.614 2.533 25 HG3 GLU 4 HG1 GLU 4 5.101 -26.235 3.496 26 H LYS 5 HN LYS 5 8.379 -22.785 4.385 27 HA LYS 5 HA LYS 5 11.129 -23.673 3.916 28 HB2 LYS 5 HB2 LYS 5 10.056 -20.863 4.217 29 HB3 LYS 5 HB1 LYS 5 11.672 -21.314 3.696 30 HG2 LYS 5 HG2 LYS 5 10.553 -22.486 1.746 31 HG3 LYS 5 HG1 LYS 5 9.081 -21.632 2.217 32 HD2 LYS 5 HD2 LYS 5 10.331 -19.493 2.042 33 HD3 LYS 5 HD1 LYS 5 11.723 -20.398 1.443 34 HE2 LYS 5 HE2 LYS 5 10.667 -19.607 -0.490 35 HE3 LYS 5 HE1 LYS 5 10.139 -21.283 -0.360 36 HZ1 LYS 5 HZ1 LYS 5 8.118 -20.361 0.812 37 HZ2 LYS 5 HZ2 LYS 5 8.239 -20.030 -0.842 38 HZ3 LYS 5 HZ3 LYS 5 8.628 -18.828 0.291 39 H LEU 6 HN LEU 6 9.751 -24.353 6.402 40 HA LEU 6 HA LEU 6 10.157 -24.468 8.624 41 HB2 LEU 6 HB2 LEU 6 12.557 -24.499 7.897 42 HB3 LEU 6 HB1 LEU 6 12.590 -22.755 8.043 43 HG LEU 6 HG LEU 6 12.197 -22.946 10.460 44 HD11 LEU 6 HD11 LEU 6 10.919 -25.006 10.495 45 HD12 LEU 6 HD12 LEU 6 12.328 -25.135 11.546 46 HD13 LEU 6 HD13 LEU 6 12.336 -25.913 9.964 47 HD21 LEU 6 HD21 LEU 6 14.482 -22.867 9.615 48 HD22 LEU 6 HD22 LEU 6 14.493 -24.624 9.460 49 HD23 LEU 6 HD23 LEU 6 14.375 -23.880 11.055 50 H THR 7 HN THR 7 8.491 -22.477 7.415 51 HA THR 7 HA THR 7 8.791 -20.206 9.242 52 HB THR 7 HB THR 7 7.250 -19.079 7.539 53 HG1 THR 7 HG1 THR 7 6.847 -21.238 6.487 54 HG21 THR 7 HG21 THR 7 10.052 -19.914 6.792 55 HG22 THR 7 HG22 THR 7 9.584 -18.490 7.723 56 HG23 THR 7 HG23 THR 7 9.159 -18.609 6.017 57 H ALA 8 HN ALA 8 7.642 -22.486 10.324 58 HA ALA 8 HA ALA 8 4.887 -22.885 9.952 59 HB1 ALA 8 HB1 ALA 8 6.449 -23.307 12.509 60 HB2 ALA 8 HB2 ALA 8 6.288 -24.477 11.194 61 HB3 ALA 8 HB3 ALA 8 4.874 -23.993 12.123 62 H ASP 9 HN ASP 9 6.515 -20.326 11.524 63 HA ASP 9 HA ASP 9 4.543 -19.440 13.344 64 HB2 ASP 9 HB2 ASP 9 6.637 -17.857 11.832 65 HB3 ASP 9 HB1 ASP 9 5.647 -17.210 13.132 66 H ALA 10 HN ALA 10 4.927 -19.130 9.941 67 HA ALA 10 HA ALA 10 3.006 -17.026 9.568 68 HB1 ALA 10 HB1 ALA 10 4.035 -18.988 7.508 69 HB2 ALA 10 HB2 ALA 10 4.772 -17.432 7.897 70 HB3 ALA 10 HB3 ALA 10 3.162 -17.494 7.183 71 H GLU 11 HN GLU 11 2.893 -20.490 9.641 72 HA GLU 11 HA GLU 11 0.267 -20.815 8.579 73 HB2 GLU 11 HB2 GLU 11 1.811 -22.608 10.481 74 HB3 GLU 11 HB1 GLU 11 0.324 -23.057 9.660 75 HG2 GLU 11 HG2 GLU 11 1.475 -22.796 7.496 76 HG3 GLU 11 HG1 GLU 11 2.973 -22.444 8.348 77 H LEU 12 HN LEU 12 1.593 -20.099 11.659 78 HA LEU 12 HA LEU 12 -0.681 -20.508 13.284 79 HB2 LEU 12 HB2 LEU 12 1.442 -18.419 13.784 80 HB3 LEU 12 HB1 LEU 12 0.451 -19.239 14.968 81 HG LEU 12 HG LEU 12 2.827 -20.336 13.466 82 HD11 LEU 12 HD11 LEU 12 3.367 -19.059 15.388 83 HD12 LEU 12 HD12 LEU 12 3.670 -20.770 15.690 84 HD13 LEU 12 HD13 LEU 12 2.240 -19.991 16.372 85 HD21 LEU 12 HD21 LEU 12 1.127 -22.050 13.415 86 HD22 LEU 12 HD22 LEU 12 0.858 -21.871 15.152 87 HD23 LEU 12 HD23 LEU 12 2.406 -22.477 14.549 88 H GLN 13 HN GLN 13 0.590 -17.721 11.548 89 HA GLN 13 HA GLN 13 -1.488 -15.969 12.444 90 HB2 GLN 13 HB2 GLN 13 0.493 -15.576 10.199 91 HB3 GLN 13 HB1 GLN 13 -0.503 -14.326 10.936 92 HG2 GLN 13 HG2 GLN 13 0.634 -14.884 13.116 93 HG3 GLN 13 HG1 GLN 13 1.765 -15.851 12.173 94 HE21 GLN 13 HE21 GLN 13 3.202 -14.812 10.793 95 HE22 GLN 13 HE22 GLN 13 3.536 -13.118 10.926 96 H ARG 14 HN ARG 14 -1.172 -18.269 9.982 97 HA ARG 14 HA ARG 14 -3.115 -17.226 8.154 98 HB2 ARG 14 HB2 ARG 14 -1.512 -18.971 7.450 99 HB3 ARG 14 HB1 ARG 14 -2.220 -20.100 8.597 100 HG2 ARG 14 HG2 ARG 14 -4.414 -19.640 7.273 101 HG3 ARG 14 HG1 ARG 14 -3.306 -19.090 6.012 102 HD2 ARG 14 HD2 ARG 14 -3.380 -21.805 7.322 103 HD3 ARG 14 HD1 ARG 14 -3.795 -21.418 5.652 104 HE ARG 14 HE ARG 14 -1.260 -20.605 5.735 105 HH11 ARG 14 HH11 ARG 14 -2.712 -23.586 6.906 106 HH12 ARG 14 HH12 ARG 14 -1.263 -24.510 6.710 107 HH21 ARG 14 HH21 ARG 14 0.637 -21.799 5.523 108 HH22 ARG 14 HH22 ARG 14 0.659 -23.495 5.915 109 H LEU 15 HN LEU 15 -3.176 -19.530 10.815 110 HA LEU 15 HA LEU 15 -5.978 -20.068 10.616 111 HB2 LEU 15 HB2 LEU 15 -4.353 -21.669 11.564 112 HB3 LEU 15 HB1 LEU 15 -4.066 -20.571 12.899 113 HG LEU 15 HG LEU 15 -6.419 -20.843 13.601 114 HD11 LEU 15 HD11 LEU 15 -7.419 -21.391 11.462 115 HD12 LEU 15 HD12 LEU 15 -7.744 -22.668 12.633 116 HD13 LEU 15 HD13 LEU 15 -6.507 -22.898 11.399 117 HD21 LEU 15 HD21 LEU 15 -4.675 -22.214 14.599 118 HD22 LEU 15 HD22 LEU 15 -4.862 -23.408 13.315 119 HD23 LEU 15 HD23 LEU 15 -6.178 -23.126 14.455 120 H LYS 16 HN LYS 16 -3.969 -17.872 12.403 121 HA LYS 16 HA LYS 16 -6.064 -16.900 14.119 122 HB2 LYS 16 HB2 LYS 16 -3.619 -16.806 14.702 123 HB3 LYS 16 HB1 LYS 16 -3.410 -15.585 13.455 124 HG2 LYS 16 HG2 LYS 16 -4.717 -14.019 14.662 125 HG3 LYS 16 HG1 LYS 16 -5.247 -15.254 15.810 126 HD2 LYS 16 HD2 LYS 16 -2.961 -15.526 16.598 127 HD3 LYS 16 HD1 LYS 16 -2.397 -14.344 15.421 128 HE2 LYS 16 HE2 LYS 16 -4.381 -13.754 17.609 129 HE3 LYS 16 HE1 LYS 16 -2.649 -13.451 17.728 130 HZ1 LYS 16 HZ1 LYS 16 -4.559 -12.203 15.841 131 HZ2 LYS 16 HZ2 LYS 16 -2.878 -12.041 15.722 132 HZ3 LYS 16 HZ3 LYS 16 -3.690 -11.441 17.079 133 H ASN 17 HN ASN 17 -4.990 -16.318 10.948 134 HA ASN 17 HA ASN 17 -5.395 -14.786 9.320 135 HB2 ASN 17 HB2 ASN 17 -7.780 -14.626 8.741 136 HB3 ASN 17 HB1 ASN 17 -7.310 -16.262 9.171 137 HD21 ASN 17 HD21 ASN 17 -9.128 -13.456 10.116 138 HD22 ASN 17 HD22 ASN 17 -10.074 -14.227 11.339 139 H GLU 18 HN GLU 18 -4.533 -13.298 11.546 140 HA GLU 18 HA GLU 18 -6.341 -11.172 12.025 141 HB2 GLU 18 HB2 GLU 18 -4.374 -9.980 13.013 142 HB3 GLU 18 HB1 GLU 18 -4.684 -11.566 13.690 143 HG2 GLU 18 HG2 GLU 18 -2.860 -12.471 12.278 144 HG3 GLU 18 HG1 GLU 18 -2.519 -10.826 11.737 145 H ARG 19 HN ARG 19 -3.193 -10.914 10.273 146 HA ARG 19 HA ARG 19 -4.495 -8.957 8.519 147 HB2 ARG 19 HB2 ARG 19 -1.563 -9.478 9.066 148 HB3 ARG 19 HB1 ARG 19 -2.178 -8.292 7.934 149 HG2 ARG 19 HG2 ARG 19 -3.195 -7.049 9.749 150 HG3 ARG 19 HG1 ARG 19 -2.650 -8.273 10.905 151 HD2 ARG 19 HD2 ARG 19 -0.342 -7.781 10.402 152 HD3 ARG 19 HD1 ARG 19 -0.820 -6.662 9.128 153 HE ARG 19 HE ARG 19 -1.976 -5.854 11.550 154 HH11 ARG 19 HH11 ARG 19 1.190 -6.049 10.026 155 HH12 ARG 19 HH12 ARG 19 1.821 -4.693 10.893 156 HH21 ARG 19 HH21 ARG 19 -1.124 -4.054 12.686 157 HH22 ARG 19 HH22 ARG 19 0.506 -3.554 12.402 158 H HIS 20 HN HIS 20 -4.032 -12.132 8.551 159 HA HIS 20 HA HIS 20 -3.493 -13.816 7.090 160 HB2 HIS 20 HB2 HIS 20 -4.573 -11.675 5.265 161 HB3 HIS 20 HB1 HIS 20 -3.940 -13.171 4.588 162 HD2 HIS 20 HD2 HIS 20 -7.243 -11.857 5.540 163 HE1 HIS 20 HE1 HIS 20 -7.496 -16.009 6.351 164 HE2 HIS 20 HE2 HIS 20 -8.760 -13.839 6.197 165 H GLU 21 HN GLU 21 -1.377 -12.537 8.041 166 HA GLU 21 HA GLU 21 0.427 -11.256 6.391 167 HB2 GLU 21 HB2 GLU 21 0.673 -11.531 8.870 168 HB3 GLU 21 HB1 GLU 21 1.192 -13.189 8.593 169 HG2 GLU 21 HG2 GLU 21 3.075 -11.719 8.989 170 HG3 GLU 21 HG1 GLU 21 3.122 -12.382 7.356 171 H GLU 22 HN GLU 22 -0.281 -14.670 6.520 172 HA GLU 22 HA GLU 22 2.072 -15.532 5.172 173 HB2 GLU 22 HB2 GLU 22 0.632 -17.096 6.469 174 HB3 GLU 22 HB1 GLU 22 -0.611 -16.937 5.232 175 HG2 GLU 22 HG2 GLU 22 0.970 -17.840 3.576 176 HG3 GLU 22 HG1 GLU 22 2.147 -18.072 4.867 177 H ALA 23 HN ALA 23 -1.104 -14.468 4.068 178 HA ALA 23 HA ALA 23 -0.698 -15.163 1.337 179 HB1 ALA 23 HB1 ALA 23 -2.588 -13.086 2.479 180 HB2 ALA 23 HB2 ALA 23 -2.963 -14.798 2.246 181 HB3 ALA 23 HB3 ALA 23 -2.642 -13.768 0.857 182 H GLU 24 HN GLU 24 -0.248 -12.174 3.187 183 HA GLU 24 HA GLU 24 0.638 -10.668 0.942 184 HB2 GLU 24 HB2 GLU 24 1.091 -10.166 3.891 185 HB3 GLU 24 HB1 GLU 24 1.427 -9.016 2.606 186 HG2 GLU 24 HG2 GLU 24 -0.989 -9.121 1.982 187 HG3 GLU 24 HG1 GLU 24 -1.257 -10.095 3.427 188 H LEU 25 HN LEU 25 2.178 -12.794 3.198 189 HA LEU 25 HA LEU 25 4.860 -12.117 2.542 190 HB2 LEU 25 HB2 LEU 25 4.232 -13.321 4.594 191 HB3 LEU 25 HB1 LEU 25 3.701 -14.683 3.632 192 HG LEU 25 HG LEU 25 6.026 -15.022 2.868 193 HD11 LEU 25 HD11 LEU 25 7.843 -13.856 4.021 194 HD12 LEU 25 HD12 LEU 25 6.664 -12.838 4.849 195 HD13 LEU 25 HD13 LEU 25 6.840 -12.739 3.096 196 HD21 LEU 25 HD21 LEU 25 5.645 -14.969 5.860 197 HD22 LEU 25 HD22 LEU 25 6.860 -15.904 4.991 198 HD23 LEU 25 HD23 LEU 25 5.148 -16.263 4.771 199 H GLU 26 HN GLU 26 2.580 -14.580 1.423 200 HA GLU 26 HA GLU 26 4.203 -15.925 -0.398 201 HB2 GLU 26 HB2 GLU 26 1.941 -16.645 0.351 202 HB3 GLU 26 HB1 GLU 26 1.242 -15.393 -0.665 203 HG2 GLU 26 HG2 GLU 26 2.286 -16.480 -2.630 204 HG3 GLU 26 HG1 GLU 26 2.828 -17.779 -1.570 205 H ARG 27 HN ARG 27 2.762 -12.809 -0.602 206 HA ARG 27 HA ARG 27 2.773 -12.345 -3.370 207 HB2 ARG 27 HB2 ARG 27 1.822 -10.732 -1.759 208 HB3 ARG 27 HB1 ARG 27 3.435 -10.380 -1.152 209 HG2 ARG 27 HG2 ARG 27 4.029 -9.526 -3.399 210 HG3 ARG 27 HG1 ARG 27 2.350 -9.768 -3.889 211 HD2 ARG 27 HD2 ARG 27 1.623 -8.262 -2.095 212 HD3 ARG 27 HD1 ARG 27 3.305 -8.008 -1.634 213 HE ARG 27 HE ARG 27 2.660 -7.386 -4.385 214 HH11 ARG 27 HH11 ARG 27 3.014 -6.158 -1.114 215 HH12 ARG 27 HH12 ARG 27 3.189 -4.513 -1.619 216 HH21 ARG 27 HH21 ARG 27 2.886 -5.210 -5.051 217 HH22 ARG 27 HH22 ARG 27 3.121 -3.972 -3.866 218 H LEU 28 HN LEU 28 5.330 -12.478 -1.045 219 HA LEU 28 HA LEU 28 7.363 -11.352 -2.738 220 HB2 LEU 28 HB2 LEU 28 7.543 -12.944 -0.160 221 HB3 LEU 28 HB1 LEU 28 8.947 -12.479 -1.079 222 HG LEU 28 HG LEU 28 8.393 -10.094 -0.739 223 HD11 LEU 28 HD11 LEU 28 6.003 -10.168 -0.445 224 HD12 LEU 28 HD12 LEU 28 6.749 -9.489 0.997 225 HD13 LEU 28 HD13 LEU 28 6.178 -11.153 1.010 226 HD21 LEU 28 HD21 LEU 28 8.994 -10.027 1.631 227 HD22 LEU 28 HD22 LEU 28 9.942 -11.219 0.742 228 HD23 LEU 28 HD23 LEU 28 8.609 -11.742 1.771 229 H LYS 29 HN LYS 29 6.276 -14.572 -1.872 230 HA LYS 29 HA LYS 29 8.112 -16.158 -3.215 231 HB2 LYS 29 HB2 LYS 29 6.416 -17.196 -1.836 232 HB3 LYS 29 HB1 LYS 29 5.129 -16.584 -2.869 233 HG2 LYS 29 HG2 LYS 29 6.182 -17.967 -4.720 234 HG3 LYS 29 HG1 LYS 29 7.114 -18.749 -3.443 235 HD2 LYS 29 HD2 LYS 29 5.088 -19.472 -2.351 236 HD3 LYS 29 HD1 LYS 29 4.103 -18.575 -3.510 237 HE2 LYS 29 HE2 LYS 29 5.042 -19.985 -5.319 238 HE3 LYS 29 HE1 LYS 29 5.896 -20.924 -4.097 239 HZ1 LYS 29 HZ1 LYS 29 2.957 -20.651 -4.379 240 HZ2 LYS 29 HZ2 LYS 29 3.726 -21.460 -3.109 241 HZ3 LYS 29 HZ3 LYS 29 3.882 -22.034 -4.692 242 H SER 30 HN SER 30 5.139 -14.699 -4.505 243 HA SER 30 HA SER 30 5.459 -15.724 -7.111 244 HB2 SER 30 HB2 SER 30 3.859 -13.747 -7.676 245 HB3 SER 30 HB1 SER 30 3.283 -15.049 -6.638 246 HG SER 30 HG SER 30 4.467 -12.726 -5.534 247 H GLU 31 HN GLU 31 6.839 -13.000 -5.495 248 HA GLU 31 HA GLU 31 7.726 -11.707 -7.905 249 HB2 GLU 31 HB2 GLU 31 8.418 -11.287 -4.997 250 HB3 GLU 31 HB1 GLU 31 9.070 -10.312 -6.305 251 HG2 GLU 31 HG2 GLU 31 6.135 -10.601 -5.730 252 HG3 GLU 31 HG1 GLU 31 7.146 -9.300 -5.100 253 H ARG 32 HN ARG 32 9.489 -13.149 -5.163 254 HA ARG 32 HA ARG 32 11.255 -14.624 -6.858 255 HB2 ARG 32 HB2 ARG 32 12.143 -12.324 -7.125 256 HB3 ARG 32 HB1 ARG 32 12.331 -12.209 -5.384 257 HG2 ARG 32 HG2 ARG 32 14.006 -13.944 -5.414 258 HG3 ARG 32 HG1 ARG 32 13.761 -14.181 -7.147 259 HD2 ARG 32 HD2 ARG 32 14.664 -11.595 -5.887 260 HD3 ARG 32 HD1 ARG 32 15.745 -12.792 -6.599 261 HE ARG 32 HE ARG 32 14.376 -12.386 -8.707 262 HH11 ARG 32 HH11 ARG 32 14.942 -9.874 -6.311 263 HH12 ARG 32 HH12 ARG 32 14.850 -8.591 -7.462 264 HH21 ARG 32 HH21 ARG 32 14.270 -10.656 -10.226 265 HH22 ARG 32 HH22 ARG 32 14.475 -9.030 -9.677 266 H HIS 33 HN HIS 33 11.750 -16.391 -5.707 267 HA HIS 33 HA HIS 33 10.860 -16.769 -3.070 268 HB2 HIS 33 HB2 HIS 33 12.797 -18.409 -4.703 269 HB3 HIS 33 HB1 HIS 33 12.199 -18.898 -3.126 270 HD2 HIS 33 HD2 HIS 33 10.858 -18.456 -6.776 271 HE1 HIS 33 HE1 HIS 33 8.070 -20.748 -4.557 272 HE2 HIS 33 HE2 HIS 33 8.590 -19.682 -6.777 273 H ASP 34 HN ASP 34 13.979 -15.809 -4.314 274 HA ASP 34 HA ASP 34 15.552 -16.178 -2.042 275 HB2 ASP 34 HB2 ASP 34 15.717 -14.001 -4.144 276 HB3 ASP 34 HB1 ASP 34 16.944 -14.284 -2.919 277 H HIS 35 HN HIS 35 13.598 -13.415 -2.995 278 HA HIS 35 HA HIS 35 14.134 -11.901 -0.624 279 HB2 HIS 35 HB2 HIS 35 13.482 -10.743 -2.688 280 HB3 HIS 35 HB1 HIS 35 11.940 -11.588 -2.710 281 HD2 HIS 35 HD2 HIS 35 13.195 -9.827 0.569 282 HE1 HIS 35 HE1 HIS 35 9.873 -7.690 -0.969 283 HE2 HIS 35 HE2 HIS 35 11.263 -8.183 1.065 284 H ASP 36 HN ASP 36 11.581 -14.021 -1.715 285 HA ASP 36 HA ASP 36 9.703 -13.661 0.311 286 HB2 ASP 36 HB2 ASP 36 9.111 -14.965 -1.629 287 HB3 ASP 36 HB1 ASP 36 10.347 -16.164 -1.282 288 H LYS 37 HN LYS 37 12.229 -16.178 0.204 289 HA LYS 37 HA LYS 37 11.603 -17.102 2.825 290 HB2 LYS 37 HB2 LYS 37 12.751 -18.503 1.077 291 HB3 LYS 37 HB1 LYS 37 14.204 -17.547 1.341 292 HG2 LYS 37 HG2 LYS 37 14.209 -18.262 3.698 293 HG3 LYS 37 HG1 LYS 37 12.803 -19.271 3.370 294 HD2 LYS 37 HD2 LYS 37 14.750 -20.661 3.300 295 HD3 LYS 37 HD1 LYS 37 14.158 -20.469 1.650 296 HE2 LYS 37 HE2 LYS 37 15.852 -18.801 1.201 297 HE3 LYS 37 HE1 LYS 37 16.395 -18.864 2.877 298 HZ1 LYS 37 HZ1 LYS 37 16.529 -21.100 0.931 299 HZ2 LYS 37 HZ2 LYS 37 17.058 -21.156 2.535 300 HZ3 LYS 37 HZ3 LYS 37 17.828 -20.141 1.428 301 H LYS 38 HN LYS 38 13.734 -14.667 1.580 302 HA LYS 38 HA LYS 38 15.492 -14.410 3.754 303 HB2 LYS 38 HB2 LYS 38 15.778 -13.321 1.491 304 HB3 LYS 38 HB1 LYS 38 14.574 -12.135 1.973 305 HG2 LYS 38 HG2 LYS 38 16.007 -11.399 3.781 306 HG3 LYS 38 HG1 LYS 38 17.198 -12.628 3.352 307 HD2 LYS 38 HD2 LYS 38 17.350 -11.582 1.090 308 HD3 LYS 38 HD1 LYS 38 16.309 -10.283 1.677 309 HE2 LYS 38 HE2 LYS 38 19.007 -11.049 2.784 310 HE3 LYS 38 HE1 LYS 38 18.654 -9.640 1.787 311 HZ1 LYS 38 HZ1 LYS 38 17.200 -8.823 3.538 312 HZ2 LYS 38 HZ2 LYS 38 18.771 -9.054 4.110 313 HZ3 LYS 38 HZ3 LYS 38 17.561 -10.167 4.495 314 H GLU 39 HN GLU 39 12.449 -12.736 3.082 315 HA GLU 39 HA GLU 39 12.487 -11.504 5.691 316 HB2 GLU 39 HB2 GLU 39 10.434 -11.467 3.480 317 HB3 GLU 39 HB1 GLU 39 10.060 -10.861 5.080 318 HG2 GLU 39 HG2 GLU 39 12.051 -9.339 4.858 319 HG3 GLU 39 HG1 GLU 39 12.130 -9.827 3.165 320 H ALA 40 HN ALA 40 10.680 -14.106 4.147 321 HA ALA 40 HA ALA 40 8.704 -14.614 5.969 322 HB1 ALA 40 HB1 ALA 40 8.647 -16.907 5.213 323 HB2 ALA 40 HB2 ALA 40 10.273 -16.769 4.553 324 HB3 ALA 40 HB3 ALA 40 8.947 -15.840 3.847 325 H GLU 41 HN GLU 41 11.908 -16.171 6.137 326 HA GLU 41 HA GLU 41 11.344 -17.652 8.458 327 HB2 GLU 41 HB2 GLU 41 14.019 -16.779 7.380 328 HB3 GLU 41 HB1 GLU 41 13.795 -17.955 8.664 329 HG2 GLU 41 HG2 GLU 41 12.422 -19.301 7.033 330 HG3 GLU 41 HG1 GLU 41 12.991 -18.195 5.783 331 H ARG 42 HN ARG 42 12.750 -14.451 8.125 332 HA ARG 42 HA ARG 42 13.305 -14.331 10.990 333 HB2 ARG 42 HB2 ARG 42 14.957 -13.387 9.445 334 HB3 ARG 42 HB1 ARG 42 13.762 -12.250 8.841 335 HG2 ARG 42 HG2 ARG 42 13.629 -11.228 11.061 336 HG3 ARG 42 HG1 ARG 42 14.861 -12.351 11.637 337 HD2 ARG 42 HD2 ARG 42 15.231 -10.389 9.380 338 HD3 ARG 42 HD1 ARG 42 15.764 -10.128 11.039 339 HE ARG 42 HE ARG 42 16.807 -12.561 10.038 340 HH11 ARG 42 HH11 ARG 42 17.199 -9.088 9.770 341 HH12 ARG 42 HH12 ARG 42 18.874 -9.176 9.356 342 HH21 ARG 42 HH21 ARG 42 19.047 -12.685 9.500 343 HH22 ARG 42 HH22 ARG 42 19.928 -11.227 9.213 344 H LYS 43 HN LYS 43 11.112 -12.934 8.689 345 HA LYS 43 HA LYS 43 10.077 -10.773 10.129 346 HB2 LYS 43 HB2 LYS 43 9.608 -11.626 7.647 347 HB3 LYS 43 HB1 LYS 43 8.223 -12.386 8.416 348 HG2 LYS 43 HG2 LYS 43 7.504 -10.339 7.527 349 HG3 LYS 43 HG1 LYS 43 7.611 -10.113 9.274 350 HD2 LYS 43 HD2 LYS 43 9.672 -8.921 9.072 351 HD3 LYS 43 HD1 LYS 43 9.820 -9.357 7.371 352 HE2 LYS 43 HE2 LYS 43 7.627 -7.638 8.522 353 HE3 LYS 43 HE1 LYS 43 9.074 -7.022 7.724 354 HZ1 LYS 43 HZ1 LYS 43 7.229 -7.109 6.191 355 HZ2 LYS 43 HZ2 LYS 43 7.003 -8.752 6.488 356 HZ3 LYS 43 HZ3 LYS 43 8.413 -8.223 5.714 357 H ALA 44 HN ALA 44 8.731 -14.040 9.883 358 HA ALA 44 HA ALA 44 6.715 -13.413 11.841 359 HB1 ALA 44 HB1 ALA 44 5.834 -15.625 11.451 360 HB2 ALA 44 HB2 ALA 44 7.275 -16.082 10.552 361 HB3 ALA 44 HB3 ALA 44 6.187 -14.849 9.910 362 H LEU 45 HN LEU 45 9.860 -14.663 11.983 363 HA LEU 45 HA LEU 45 9.402 -16.229 14.377 364 HB2 LEU 45 HB2 LEU 45 11.047 -16.997 12.748 365 HB3 LEU 45 HB1 LEU 45 11.966 -15.523 12.955 366 HG LEU 45 HG LEU 45 12.356 -16.178 15.338 367 HD11 LEU 45 HD11 LEU 45 10.478 -17.689 15.627 368 HD12 LEU 45 HD12 LEU 45 11.999 -18.514 15.962 369 HD13 LEU 45 HD13 LEU 45 11.163 -18.795 14.436 370 HD21 LEU 45 HD21 LEU 45 14.037 -16.536 13.610 371 HD22 LEU 45 HD22 LEU 45 13.325 -18.103 13.227 372 HD23 LEU 45 HD23 LEU 45 14.069 -17.833 14.803 373 H GLU 46 HN GLU 46 11.132 -13.261 13.533 374 HA GLU 46 HA GLU 46 12.001 -12.804 16.198 375 HB2 GLU 46 HB2 GLU 46 11.923 -10.957 13.813 376 HB3 GLU 46 HB1 GLU 46 12.621 -10.533 15.365 377 HG2 GLU 46 HG2 GLU 46 13.527 -12.784 13.590 378 HG3 GLU 46 HG1 GLU 46 14.328 -11.225 13.787 379 H ASP 47 HN ASP 47 9.297 -11.491 14.284 380 HA ASP 47 HA ASP 47 8.221 -10.435 16.806 381 HB2 ASP 47 HB2 ASP 47 9.519 -8.640 15.674 382 HB3 ASP 47 HB1 ASP 47 8.476 -8.800 14.271 383 H LYS 48 HN LYS 48 7.539 -12.581 14.503 384 HA LYS 48 HA LYS 48 5.744 -13.394 13.476 385 HB2 LYS 48 HB2 LYS 48 4.349 -11.650 15.496 386 HB3 LYS 48 HB1 LYS 48 3.439 -12.578 14.311 387 HG2 LYS 48 HG2 LYS 48 5.420 -13.783 16.227 388 HG3 LYS 48 HG1 LYS 48 3.687 -13.664 16.540 389 HD2 LYS 48 HD2 LYS 48 3.233 -15.003 14.538 390 HD3 LYS 48 HD1 LYS 48 4.963 -15.117 14.217 391 HE2 LYS 48 HE2 LYS 48 3.628 -16.119 16.725 392 HE3 LYS 48 HE1 LYS 48 3.994 -17.124 15.323 393 HZ1 LYS 48 HZ1 LYS 48 5.660 -17.172 17.176 394 HZ2 LYS 48 HZ2 LYS 48 6.080 -15.590 16.762 395 HZ3 LYS 48 HZ3 LYS 48 6.289 -16.848 15.648 396 H LEU 49 HN LEU 49 5.112 -9.919 13.867 397 HA LEU 49 HA LEU 49 4.256 -9.804 11.070 398 HB2 LEU 49 HB2 LEU 49 4.046 -7.740 13.272 399 HB3 LEU 49 HB1 LEU 49 3.430 -7.552 11.646 400 HG LEU 49 HG LEU 49 2.461 -9.623 13.615 401 HD11 LEU 49 HD11 LEU 49 0.456 -8.244 13.774 402 HD12 LEU 49 HD12 LEU 49 1.208 -7.028 12.741 403 HD13 LEU 49 HD13 LEU 49 1.884 -7.374 14.333 404 HD21 LEU 49 HD21 LEU 49 1.440 -8.804 10.897 405 HD22 LEU 49 HD22 LEU 49 0.625 -9.911 12.001 406 HD23 LEU 49 HD23 LEU 49 2.191 -10.345 11.314 407 H ALA 50 HN ALA 50 6.310 -8.026 13.385 408 HA ALA 50 HA ALA 50 8.255 -6.888 13.175 409 HB1 ALA 50 HB1 ALA 50 9.887 -7.658 11.518 410 HB2 ALA 50 HB2 ALA 50 8.622 -8.582 10.705 411 HB3 ALA 50 HB3 ALA 50 9.117 -9.016 12.338 412 H ASP 51 HN ASP 51 5.780 -5.958 11.829 413 HA ASP 51 HA ASP 51 6.873 -4.341 9.652 414 HB2 ASP 51 HB2 ASP 51 4.740 -5.534 9.256 415 HB3 ASP 51 HB1 ASP 51 4.011 -4.657 10.596 416 H TYR 52 HN TYR 52 7.224 -2.206 9.869 417 HA TYR 52 HA TYR 52 6.772 -1.080 12.518 418 HB2 TYR 52 HB2 TYR 52 9.054 -0.959 11.527 419 HB3 TYR 52 HB1 TYR 52 8.408 0.037 10.229 420 HD1 TYR 52 HD1 TYR 52 8.769 -0.079 13.933 421 HD2 TYR 52 HD2 TYR 52 8.322 2.363 10.477 422 HE1 TYR 52 HE1 TYR 52 9.134 1.925 15.307 423 HE2 TYR 52 HE2 TYR 52 8.688 4.372 11.843 424 HH TYR 52 HH TYR 52 8.511 5.076 14.156 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 2.318 -13.498 8.090 2 H2 GLY 1 HT2 GLY 1 3.295 -13.281 6.707 3 H3 GLY 1 HT3 GLY 1 3.515 -12.298 8.064 4 HA2 GLY 1 HA1 GLY 1 5.221 -14.014 7.867 5 HA3 GLY 1 HA2 GLY 1 4.305 -14.084 9.365 6 H SER 2 HN SER 2 4.546 -16.227 9.773 7 HA SER 2 HA SER 2 3.583 -18.094 7.733 8 HB2 SER 2 HB2 SER 2 5.893 -18.432 8.661 9 HB3 SER 2 HB1 SER 2 5.164 -18.715 10.241 10 HG SER 2 HG SER 2 4.963 -20.699 9.618 11 H VAL 3 HN VAL 3 2.528 -20.046 8.701 12 HA VAL 3 HA VAL 3 0.107 -19.245 9.936 13 HB VAL 3 HB VAL 3 1.169 -22.060 9.621 14 HG11 VAL 3 HG11 VAL 3 -0.682 -21.939 11.184 15 HG12 VAL 3 HG12 VAL 3 -1.205 -22.697 9.678 16 HG13 VAL 3 HG13 VAL 3 -1.634 -21.021 10.016 17 HG21 VAL 3 HG21 VAL 3 -0.547 -20.413 7.762 18 HG22 VAL 3 HG22 VAL 3 -0.141 -22.114 7.545 19 HG23 VAL 3 HG23 VAL 3 1.126 -20.890 7.481 20 H GLU 4 HN GLU 4 0.375 -18.488 12.191 21 HA GLU 4 HA GLU 4 0.702 -18.601 14.399 22 HB2 GLU 4 HB2 GLU 4 -0.100 -20.958 14.264 23 HB3 GLU 4 HB1 GLU 4 1.556 -21.480 13.996 24 HG2 GLU 4 HG2 GLU 4 2.187 -20.602 16.185 25 HG3 GLU 4 HG1 GLU 4 0.525 -20.080 16.453 26 H LYS 5 HN LYS 5 2.519 -17.060 13.910 27 HA LYS 5 HA LYS 5 5.002 -17.858 12.986 28 HB2 LYS 5 HB2 LYS 5 4.411 -15.374 14.591 29 HB3 LYS 5 HB1 LYS 5 5.641 -15.592 13.350 30 HG2 LYS 5 HG2 LYS 5 3.973 -15.725 11.624 31 HG3 LYS 5 HG1 LYS 5 2.676 -15.742 12.812 32 HD2 LYS 5 HD2 LYS 5 3.461 -13.447 13.524 33 HD3 LYS 5 HD1 LYS 5 4.505 -13.456 12.098 34 HE2 LYS 5 HE2 LYS 5 2.539 -13.796 10.669 35 HE3 LYS 5 HE1 LYS 5 1.503 -13.775 12.090 36 HZ1 LYS 5 HZ1 LYS 5 1.363 -11.641 11.214 37 HZ2 LYS 5 HZ2 LYS 5 3.004 -11.542 10.861 38 HZ3 LYS 5 HZ3 LYS 5 2.478 -11.452 12.471 39 H LEU 6 HN LEU 6 4.617 -16.317 16.185 40 HA LEU 6 HA LEU 6 6.472 -18.380 17.213 41 HB2 LEU 6 HB2 LEU 6 6.331 -15.441 17.819 42 HB3 LEU 6 HB1 LEU 6 7.078 -16.558 18.940 43 HG LEU 6 HG LEU 6 8.573 -17.256 16.969 44 HD11 LEU 6 HD11 LEU 6 7.566 -14.632 15.894 45 HD12 LEU 6 HD12 LEU 6 7.301 -16.225 15.182 46 HD13 LEU 6 HD13 LEU 6 8.931 -15.554 15.260 47 HD21 LEU 6 HD21 LEU 6 9.401 -16.020 18.870 48 HD22 LEU 6 HD22 LEU 6 8.797 -14.511 18.189 49 HD23 LEU 6 HD23 LEU 6 10.109 -15.377 17.388 50 H THR 7 HN THR 7 3.472 -18.089 17.222 51 HA THR 7 HA THR 7 1.816 -18.972 18.518 52 HB THR 7 HB THR 7 3.939 -19.240 20.666 53 HG1 THR 7 HG1 THR 7 4.533 -20.821 19.397 54 HG21 THR 7 HG21 THR 7 2.381 -20.814 21.726 55 HG22 THR 7 HG22 THR 7 1.184 -20.468 20.478 56 HG23 THR 7 HG23 THR 7 1.668 -19.204 21.608 57 H ALA 8 HN ALA 8 3.889 -16.672 20.152 58 HA ALA 8 HA ALA 8 1.788 -15.643 21.844 59 HB1 ALA 8 HB1 ALA 8 4.156 -15.434 22.519 60 HB2 ALA 8 HB2 ALA 8 3.355 -13.869 22.460 61 HB3 ALA 8 HB3 ALA 8 4.447 -14.340 21.165 62 H ASP 9 HN ASP 9 3.380 -14.569 18.905 63 HA ASP 9 HA ASP 9 1.719 -12.277 18.568 64 HB2 ASP 9 HB2 ASP 9 2.748 -12.332 16.216 65 HB3 ASP 9 HB1 ASP 9 3.839 -12.078 17.571 66 H ALA 10 HN ALA 10 1.492 -15.589 17.866 67 HA ALA 10 HA ALA 10 -0.174 -15.560 15.595 68 HB1 ALA 10 HB1 ALA 10 -0.094 -17.653 17.779 69 HB2 ALA 10 HB2 ALA 10 0.949 -17.613 16.354 70 HB3 ALA 10 HB3 ALA 10 -0.785 -17.847 16.171 71 H GLU 11 HN GLU 11 -0.981 -15.760 19.043 72 HA GLU 11 HA GLU 11 -3.780 -15.713 18.684 73 HB2 GLU 11 HB2 GLU 11 -2.709 -16.344 20.835 74 HB3 GLU 11 HB1 GLU 11 -2.219 -14.670 21.066 75 HG2 GLU 11 HG2 GLU 11 -4.506 -13.974 21.224 76 HG3 GLU 11 HG1 GLU 11 -5.065 -15.597 20.826 77 H LEU 12 HN LEU 12 -1.415 -13.155 19.223 78 HA LEU 12 HA LEU 12 -3.138 -10.971 19.298 79 HB2 LEU 12 HB2 LEU 12 -0.273 -11.257 18.413 80 HB3 LEU 12 HB1 LEU 12 -1.114 -9.745 18.206 81 HG LEU 12 HG LEU 12 -1.325 -9.395 20.540 82 HD11 LEU 12 HD11 LEU 12 -1.978 -11.646 21.220 83 HD12 LEU 12 HD12 LEU 12 -0.670 -11.028 22.229 84 HD13 LEU 12 HD13 LEU 12 -0.326 -12.207 20.964 85 HD21 LEU 12 HD21 LEU 12 0.991 -9.490 21.309 86 HD22 LEU 12 HD22 LEU 12 0.883 -8.939 19.635 87 HD23 LEU 12 HD23 LEU 12 1.379 -10.595 19.989 88 H GLN 13 HN GLN 13 -1.571 -12.465 16.480 89 HA GLN 13 HA GLN 13 -2.669 -10.750 14.541 90 HB2 GLN 13 HB2 GLN 13 -1.811 -13.634 14.264 91 HB3 GLN 13 HB1 GLN 13 -2.178 -12.567 12.919 92 HG2 GLN 13 HG2 GLN 13 0.007 -12.124 14.938 93 HG3 GLN 13 HG1 GLN 13 0.224 -12.787 13.322 94 HE21 GLN 13 HE21 GLN 13 -0.418 -9.939 15.188 95 HE22 GLN 13 HE22 GLN 13 -0.191 -8.807 13.903 96 H ARG 14 HN ARG 14 -3.910 -13.734 15.951 97 HA ARG 14 HA ARG 14 -6.152 -14.018 14.252 98 HB2 ARG 14 HB2 ARG 14 -5.794 -14.919 17.121 99 HB3 ARG 14 HB1 ARG 14 -7.098 -15.432 16.066 100 HG2 ARG 14 HG2 ARG 14 -5.461 -16.462 14.556 101 HG3 ARG 14 HG1 ARG 14 -4.164 -15.964 15.644 102 HD2 ARG 14 HD2 ARG 14 -4.708 -18.274 16.070 103 HD3 ARG 14 HD1 ARG 14 -5.222 -17.297 17.443 104 HE ARG 14 HE ARG 14 -7.388 -17.514 15.716 105 HH11 ARG 14 HH11 ARG 14 -5.449 -19.647 17.743 106 HH12 ARG 14 HH12 ARG 14 -6.730 -20.773 17.998 107 HH21 ARG 14 HH21 ARG 14 -9.080 -19.027 16.058 108 HH22 ARG 14 HH22 ARG 14 -8.803 -20.425 17.037 109 H LEU 15 HN LEU 15 -5.659 -12.299 17.275 110 HA LEU 15 HA LEU 15 -8.389 -11.448 17.540 111 HB2 LEU 15 HB2 LEU 15 -5.899 -10.288 18.803 112 HB3 LEU 15 HB1 LEU 15 -7.545 -9.962 19.296 113 HG LEU 15 HG LEU 15 -6.098 -12.597 19.541 114 HD11 LEU 15 HD11 LEU 15 -7.008 -10.621 21.617 115 HD12 LEU 15 HD12 LEU 15 -5.342 -10.950 21.139 116 HD13 LEU 15 HD13 LEU 15 -6.293 -12.201 21.938 117 HD21 LEU 15 HD21 LEU 15 -8.906 -11.843 20.350 118 HD22 LEU 15 HD22 LEU 15 -8.094 -13.356 20.746 119 HD23 LEU 15 HD23 LEU 15 -8.457 -12.967 19.067 120 H LYS 16 HN LYS 16 -5.407 -10.065 16.361 121 HA LYS 16 HA LYS 16 -6.246 -7.477 15.723 122 HB2 LYS 16 HB2 LYS 16 -3.866 -8.313 15.684 123 HB3 LYS 16 HB1 LYS 16 -4.233 -9.138 14.173 124 HG2 LYS 16 HG2 LYS 16 -3.172 -7.188 13.529 125 HG3 LYS 16 HG1 LYS 16 -4.887 -6.830 13.304 126 HD2 LYS 16 HD2 LYS 16 -4.893 -5.759 15.541 127 HD3 LYS 16 HD1 LYS 16 -3.147 -6.004 15.619 128 HE2 LYS 16 HE2 LYS 16 -3.006 -4.731 13.447 129 HE3 LYS 16 HE1 LYS 16 -4.698 -4.304 13.688 130 HZ1 LYS 16 HZ1 LYS 16 -3.351 -2.556 14.522 131 HZ2 LYS 16 HZ2 LYS 16 -2.403 -3.626 15.428 132 HZ3 LYS 16 HZ3 LYS 16 -4.017 -3.349 15.865 133 H ASN 17 HN ASN 17 -6.743 -10.510 14.091 134 HA ASN 17 HA ASN 17 -8.078 -11.155 12.385 135 HB2 ASN 17 HB2 ASN 17 -9.687 -9.438 13.341 136 HB3 ASN 17 HB1 ASN 17 -9.051 -8.286 12.177 137 HD21 ASN 17 HD21 ASN 17 -9.569 -8.530 10.007 138 HD22 ASN 17 HD22 ASN 17 -10.846 -9.565 9.466 139 H GLU 18 HN GLU 18 -5.428 -9.446 12.137 140 HA GLU 18 HA GLU 18 -5.610 -8.961 9.249 141 HB2 GLU 18 HB2 GLU 18 -3.699 -7.913 11.324 142 HB3 GLU 18 HB1 GLU 18 -3.410 -7.749 9.600 143 HG2 GLU 18 HG2 GLU 18 -5.736 -6.662 9.525 144 HG3 GLU 18 HG1 GLU 18 -5.557 -6.508 11.273 145 H ARG 19 HN ARG 19 -5.453 -11.622 10.171 146 HA ARG 19 HA ARG 19 -2.766 -12.586 10.072 147 HB2 ARG 19 HB2 ARG 19 -3.768 -14.808 9.944 148 HB3 ARG 19 HB1 ARG 19 -4.573 -13.846 11.173 149 HG2 ARG 19 HG2 ARG 19 -6.437 -13.448 9.704 150 HG3 ARG 19 HG1 ARG 19 -5.617 -14.289 8.389 151 HD2 ARG 19 HD2 ARG 19 -5.614 -16.341 9.773 152 HD3 ARG 19 HD1 ARG 19 -6.545 -15.479 10.997 153 HE ARG 19 HE ARG 19 -7.975 -15.174 8.692 154 HH11 ARG 19 HH11 ARG 19 -6.796 -17.925 10.527 155 HH12 ARG 19 HH12 ARG 19 -8.078 -18.968 10.032 156 HH21 ARG 19 HH21 ARG 19 -9.676 -16.573 8.022 157 HH22 ARG 19 HH22 ARG 19 -9.715 -18.201 8.602 158 H HIS 20 HN HIS 20 -4.503 -11.129 7.811 159 HA HIS 20 HA HIS 20 -4.149 -12.598 5.437 160 HB2 HIS 20 HB2 HIS 20 -5.612 -10.617 5.531 161 HB3 HIS 20 HB1 HIS 20 -4.223 -9.580 5.835 162 HD2 HIS 20 HD2 HIS 20 -2.984 -8.650 3.591 163 HE1 HIS 20 HE1 HIS 20 -5.133 -10.976 0.785 164 HE2 HIS 20 HE2 HIS 20 -3.744 -8.919 1.144 165 H GLU 21 HN GLU 21 -1.939 -11.007 7.465 166 HA GLU 21 HA GLU 21 0.133 -10.239 5.751 167 HB2 GLU 21 HB2 GLU 21 0.033 -9.806 8.247 168 HB3 GLU 21 HB1 GLU 21 0.514 -11.483 8.493 169 HG2 GLU 21 HG2 GLU 21 2.551 -10.935 7.092 170 HG3 GLU 21 HG1 GLU 21 2.085 -9.246 7.272 171 H GLU 22 HN GLU 22 -0.781 -13.382 6.969 172 HA GLU 22 HA GLU 22 1.534 -14.798 6.198 173 HB2 GLU 22 HB2 GLU 22 -1.298 -15.705 6.717 174 HB3 GLU 22 HB1 GLU 22 -0.054 -16.817 6.191 175 HG2 GLU 22 HG2 GLU 22 -0.370 -16.843 8.623 176 HG3 GLU 22 HG1 GLU 22 1.263 -16.384 8.153 177 H ALA 23 HN ALA 23 -1.483 -14.134 4.472 178 HA ALA 23 HA ALA 23 -0.787 -15.632 2.155 179 HB1 ALA 23 HB1 ALA 23 -2.626 -14.478 1.045 180 HB2 ALA 23 HB2 ALA 23 -2.731 -13.318 2.363 181 HB3 ALA 23 HB3 ALA 23 -3.125 -15.017 2.646 182 H GLU 24 HN GLU 24 -0.052 -12.451 3.276 183 HA GLU 24 HA GLU 24 0.832 -11.438 0.767 184 HB2 GLU 24 HB2 GLU 24 1.373 -10.490 3.587 185 HB3 GLU 24 HB1 GLU 24 1.936 -9.658 2.147 186 HG2 GLU 24 HG2 GLU 24 -0.315 -9.279 1.407 187 HG3 GLU 24 HG1 GLU 24 -0.951 -10.238 2.740 188 H LEU 25 HN LEU 25 2.410 -13.144 3.428 189 HA LEU 25 HA LEU 25 5.037 -12.851 2.403 190 HB2 LEU 25 HB2 LEU 25 4.541 -13.535 4.740 191 HB3 LEU 25 HB1 LEU 25 3.961 -15.077 4.142 192 HG LEU 25 HG LEU 25 6.226 -15.565 3.260 193 HD11 LEU 25 HD11 LEU 25 7.023 -13.304 2.922 194 HD12 LEU 25 HD12 LEU 25 8.115 -14.182 3.992 195 HD13 LEU 25 HD13 LEU 25 6.984 -13.007 4.660 196 HD21 LEU 25 HD21 LEU 25 5.565 -16.383 5.463 197 HD22 LEU 25 HD22 LEU 25 6.148 -14.890 6.197 198 HD23 LEU 25 HD23 LEU 25 7.282 -15.991 5.417 199 H GLU 26 HN GLU 26 2.402 -14.912 1.647 200 HA GLU 26 HA GLU 26 3.824 -16.914 0.218 201 HB2 GLU 26 HB2 GLU 26 0.977 -15.945 -0.140 202 HB3 GLU 26 HB1 GLU 26 1.644 -17.373 -0.914 203 HG2 GLU 26 HG2 GLU 26 2.028 -18.362 1.306 204 HG3 GLU 26 HG1 GLU 26 1.279 -16.956 2.053 205 H ARG 27 HN ARG 27 2.575 -13.775 -0.551 206 HA ARG 27 HA ARG 27 2.911 -13.772 -3.350 207 HB2 ARG 27 HB2 ARG 27 3.038 -11.448 -1.436 208 HB3 ARG 27 HB1 ARG 27 2.847 -11.334 -3.176 209 HG2 ARG 27 HG2 ARG 27 0.697 -12.428 -3.038 210 HG3 ARG 27 HG1 ARG 27 0.896 -12.626 -1.293 211 HD2 ARG 27 HD2 ARG 27 0.981 -10.221 -1.008 212 HD3 ARG 27 HD1 ARG 27 0.857 -9.991 -2.750 213 HE ARG 27 HE ARG 27 -1.337 -11.488 -1.961 214 HH11 ARG 27 HH11 ARG 27 -0.012 -8.305 -1.335 215 HH12 ARG 27 HH12 ARG 27 -1.556 -7.551 -1.154 216 HH21 ARG 27 HH21 ARG 27 -3.391 -10.505 -1.693 217 HH22 ARG 27 HH22 ARG 27 -3.500 -8.812 -1.364 218 H LEU 28 HN LEU 28 5.218 -13.662 -0.851 219 HA LEU 28 HA LEU 28 7.197 -11.948 -1.709 220 HB2 LEU 28 HB2 LEU 28 7.313 -13.168 0.419 221 HB3 LEU 28 HB1 LEU 28 7.653 -14.654 -0.446 222 HG LEU 28 HG LEU 28 9.775 -13.644 -1.251 223 HD11 LEU 28 HD11 LEU 28 9.188 -11.302 -1.114 224 HD12 LEU 28 HD12 LEU 28 10.604 -11.630 -0.115 225 HD13 LEU 28 HD13 LEU 28 9.023 -11.419 0.638 226 HD21 LEU 28 HD21 LEU 28 9.400 -13.731 1.741 227 HD22 LEU 28 HD22 LEU 28 10.943 -13.829 0.891 228 HD23 LEU 28 HD23 LEU 28 9.745 -15.106 0.693 229 H LYS 29 HN LYS 29 6.378 -15.000 -3.198 230 HA LYS 29 HA LYS 29 8.839 -15.165 -4.677 231 HB2 LYS 29 HB2 LYS 29 6.220 -16.598 -5.130 232 HB3 LYS 29 HB1 LYS 29 7.710 -16.922 -5.998 233 HG2 LYS 29 HG2 LYS 29 8.756 -17.449 -3.766 234 HG3 LYS 29 HG1 LYS 29 7.124 -17.399 -3.096 235 HD2 LYS 29 HD2 LYS 29 6.433 -19.126 -4.717 236 HD3 LYS 29 HD1 LYS 29 8.091 -19.201 -5.313 237 HE2 LYS 29 HE2 LYS 29 7.755 -21.006 -3.782 238 HE3 LYS 29 HE1 LYS 29 8.820 -19.826 -3.023 239 HZ1 LYS 29 HZ1 LYS 29 7.125 -20.650 -1.510 240 HZ2 LYS 29 HZ2 LYS 29 5.907 -20.077 -2.527 241 HZ3 LYS 29 HZ3 LYS 29 6.952 -18.990 -1.762 242 H SER 30 HN SER 30 5.580 -13.970 -5.316 243 HA SER 30 HA SER 30 6.153 -13.293 -8.046 244 HB2 SER 30 HB2 SER 30 3.888 -12.335 -6.286 245 HB3 SER 30 HB1 SER 30 3.944 -12.305 -8.049 246 HG SER 30 HG SER 30 4.120 -14.644 -7.923 247 H GLU 31 HN GLU 31 6.004 -11.606 -4.934 248 HA GLU 31 HA GLU 31 6.685 -9.076 -6.119 249 HB2 GLU 31 HB2 GLU 31 6.565 -9.911 -3.212 250 HB3 GLU 31 HB1 GLU 31 6.710 -8.262 -3.803 251 HG2 GLU 31 HG2 GLU 31 4.517 -8.549 -4.936 252 HG3 GLU 31 HG1 GLU 31 4.371 -10.114 -4.141 253 H ARG 32 HN ARG 32 8.494 -8.109 -4.250 254 HA ARG 32 HA ARG 32 10.870 -9.672 -4.990 255 HB2 ARG 32 HB2 ARG 32 10.595 -6.699 -4.550 256 HB3 ARG 32 HB1 ARG 32 12.123 -7.520 -4.802 257 HG2 ARG 32 HG2 ARG 32 9.848 -7.449 -6.783 258 HG3 ARG 32 HG1 ARG 32 11.277 -6.418 -6.834 259 HD2 ARG 32 HD2 ARG 32 11.753 -8.139 -8.349 260 HD3 ARG 32 HD1 ARG 32 12.619 -8.595 -6.885 261 HE ARG 32 HE ARG 32 10.017 -9.756 -6.979 262 HH11 ARG 32 HH11 ARG 32 13.301 -10.132 -8.154 263 HH12 ARG 32 HH12 ARG 32 13.125 -11.819 -8.492 264 HH21 ARG 32 HH21 ARG 32 9.780 -11.991 -7.420 265 HH22 ARG 32 HH22 ARG 32 11.116 -12.878 -8.071 266 H HIS 33 HN HIS 33 12.764 -8.696 -3.475 267 HA HIS 33 HA HIS 33 12.355 -9.951 -0.967 268 HB2 HIS 33 HB2 HIS 33 14.667 -9.186 -0.478 269 HB3 HIS 33 HB1 HIS 33 14.531 -9.983 -2.037 270 HD2 HIS 33 HD2 HIS 33 15.439 -6.506 -0.567 271 HE1 HIS 33 HE1 HIS 33 15.853 -6.297 -4.782 272 HE2 HIS 33 HE2 HIS 33 16.385 -5.195 -2.585 273 H ASP 34 HN ASP 34 11.856 -6.748 -2.050 274 HA ASP 34 HA ASP 34 12.285 -5.263 0.281 275 HB2 ASP 34 HB2 ASP 34 10.236 -4.811 -1.903 276 HB3 ASP 34 HB1 ASP 34 10.708 -3.623 -0.695 277 H HIS 35 HN HIS 35 9.546 -7.163 -0.785 278 HA HIS 35 HA HIS 35 7.676 -6.278 1.103 279 HB2 HIS 35 HB2 HIS 35 6.919 -7.588 -0.806 280 HB3 HIS 35 HB1 HIS 35 7.803 -8.999 -0.225 281 HD2 HIS 35 HD2 HIS 35 6.358 -10.624 1.398 282 HE1 HIS 35 HE1 HIS 35 3.237 -7.915 2.326 283 HE2 HIS 35 HE2 HIS 35 4.332 -10.109 2.901 284 H ASP 36 HN ASP 36 9.952 -9.033 1.361 285 HA ASP 36 HA ASP 36 8.881 -9.935 3.806 286 HB2 ASP 36 HB2 ASP 36 10.722 -11.409 4.048 287 HB3 ASP 36 HB1 ASP 36 10.437 -11.292 2.323 288 H LYS 37 HN LYS 37 11.154 -7.412 3.138 289 HA LYS 37 HA LYS 37 11.983 -7.150 5.877 290 HB2 LYS 37 HB2 LYS 37 13.439 -6.324 4.060 291 HB3 LYS 37 HB1 LYS 37 12.220 -5.135 3.620 292 HG2 LYS 37 HG2 LYS 37 12.490 -3.996 5.715 293 HG3 LYS 37 HG1 LYS 37 13.585 -5.247 6.298 294 HD2 LYS 37 HD2 LYS 37 14.115 -3.490 3.904 295 HD3 LYS 37 HD1 LYS 37 14.734 -3.182 5.526 296 HE2 LYS 37 HE2 LYS 37 15.828 -5.433 5.446 297 HE3 LYS 37 HE1 LYS 37 15.338 -5.551 3.759 298 HZ1 LYS 37 HZ1 LYS 37 16.608 -3.513 3.325 299 HZ2 LYS 37 HZ2 LYS 37 17.584 -4.767 3.899 300 HZ3 LYS 37 HZ3 LYS 37 17.138 -3.510 4.931 301 H LYS 38 HN LYS 38 9.693 -5.464 3.780 302 HA LYS 38 HA LYS 38 8.856 -3.585 5.736 303 HB2 LYS 38 HB2 LYS 38 8.427 -3.304 3.279 304 HB3 LYS 38 HB1 LYS 38 7.220 -4.583 3.384 305 HG2 LYS 38 HG2 LYS 38 5.971 -3.216 5.011 306 HG3 LYS 38 HG1 LYS 38 7.149 -1.922 4.786 307 HD2 LYS 38 HD2 LYS 38 6.568 -1.911 2.363 308 HD3 LYS 38 HD1 LYS 38 5.296 -3.084 2.711 309 HE2 LYS 38 HE2 LYS 38 5.525 -0.292 3.833 310 HE3 LYS 38 HE1 LYS 38 4.371 -0.837 2.622 311 HZ1 LYS 38 HZ1 LYS 38 4.502 -1.749 5.453 312 HZ2 LYS 38 HZ2 LYS 38 3.423 -2.343 4.294 313 HZ3 LYS 38 HZ3 LYS 38 3.334 -0.732 4.779 314 H GLU 39 HN GLU 39 7.665 -6.779 4.816 315 HA GLU 39 HA GLU 39 5.383 -6.788 6.478 316 HB2 GLU 39 HB2 GLU 39 5.823 -8.414 4.603 317 HB3 GLU 39 HB1 GLU 39 7.005 -9.207 5.642 318 HG2 GLU 39 HG2 GLU 39 5.205 -9.631 7.271 319 HG3 GLU 39 HG1 GLU 39 4.057 -8.940 6.127 320 H ALA 40 HN ALA 40 8.690 -7.924 7.019 321 HA ALA 40 HA ALA 40 8.301 -8.959 9.615 322 HB1 ALA 40 HB1 ALA 40 10.719 -8.760 9.924 323 HB2 ALA 40 HB2 ALA 40 10.835 -7.729 8.501 324 HB3 ALA 40 HB3 ALA 40 10.350 -9.420 8.334 325 H GLU 41 HN GLU 41 8.941 -5.749 8.451 326 HA GLU 41 HA GLU 41 9.351 -4.453 10.937 327 HB2 GLU 41 HB2 GLU 41 9.936 -3.367 8.821 328 HB3 GLU 41 HB1 GLU 41 8.249 -3.361 8.328 329 HG2 GLU 41 HG2 GLU 41 7.760 -1.870 10.239 330 HG3 GLU 41 HG1 GLU 41 9.492 -1.798 10.568 331 H ARG 42 HN ARG 42 6.473 -5.061 8.992 332 HA ARG 42 HA ARG 42 4.578 -3.722 10.599 333 HB2 ARG 42 HB2 ARG 42 3.959 -4.470 8.365 334 HB3 ARG 42 HB1 ARG 42 4.213 -6.153 8.804 335 HG2 ARG 42 HG2 ARG 42 2.386 -5.693 10.591 336 HG3 ARG 42 HG1 ARG 42 1.994 -4.312 9.565 337 HD2 ARG 42 HD2 ARG 42 2.069 -7.207 8.725 338 HD3 ARG 42 HD1 ARG 42 0.626 -6.227 8.975 339 HE ARG 42 HE ARG 42 2.232 -4.950 7.086 340 HH11 ARG 42 HH11 ARG 42 0.319 -7.855 7.402 341 HH12 ARG 42 HH12 ARG 42 -0.043 -7.964 5.704 342 HH21 ARG 42 HH21 ARG 42 1.774 -5.090 4.834 343 HH22 ARG 42 HH22 ARG 42 0.814 -6.410 4.240 344 H LYS 43 HN LYS 43 5.628 -7.096 10.546 345 HA LYS 43 HA LYS 43 4.027 -8.114 12.558 346 HB2 LYS 43 HB2 LYS 43 5.492 -9.532 11.153 347 HB3 LYS 43 HB1 LYS 43 6.901 -8.898 11.998 348 HG2 LYS 43 HG2 LYS 43 5.893 -9.803 14.114 349 HG3 LYS 43 HG1 LYS 43 4.711 -10.627 13.097 350 HD2 LYS 43 HD2 LYS 43 6.538 -11.772 11.927 351 HD3 LYS 43 HD1 LYS 43 7.708 -10.962 12.974 352 HE2 LYS 43 HE2 LYS 43 5.532 -12.850 13.871 353 HE3 LYS 43 HE1 LYS 43 7.245 -13.239 13.740 354 HZ1 LYS 43 HZ1 LYS 43 6.242 -11.062 15.502 355 HZ2 LYS 43 HZ2 LYS 43 7.756 -11.817 15.522 356 HZ3 LYS 43 HZ3 LYS 43 6.378 -12.668 16.011 357 H ALA 44 HN ALA 44 7.269 -6.715 12.880 358 HA ALA 44 HA ALA 44 7.563 -7.037 15.645 359 HB1 ALA 44 HB1 ALA 44 8.710 -4.804 13.954 360 HB2 ALA 44 HB2 ALA 44 9.444 -6.393 14.206 361 HB3 ALA 44 HB3 ALA 44 9.261 -5.281 15.557 362 H LEU 45 HN LEU 45 5.911 -4.541 13.846 363 HA LEU 45 HA LEU 45 5.526 -2.795 16.064 364 HB2 LEU 45 HB2 LEU 45 5.476 -2.037 13.713 365 HB3 LEU 45 HB1 LEU 45 4.015 -2.965 13.457 366 HG LEU 45 HG LEU 45 2.835 -1.527 15.081 367 HD11 LEU 45 HD11 LEU 45 3.888 0.559 15.821 368 HD12 LEU 45 HD12 LEU 45 5.413 0.035 15.109 369 HD13 LEU 45 HD13 LEU 45 4.718 -0.858 16.462 370 HD21 LEU 45 HD21 LEU 45 2.728 0.456 13.658 371 HD22 LEU 45 HD22 LEU 45 2.750 -1.024 12.697 372 HD23 LEU 45 HD23 LEU 45 4.210 -0.044 12.844 373 H GLU 46 HN GLU 46 3.563 -5.300 14.511 374 HA GLU 46 HA GLU 46 1.341 -4.843 16.262 375 HB2 GLU 46 HB2 GLU 46 1.906 -7.139 14.380 376 HB3 GLU 46 HB1 GLU 46 0.418 -6.939 15.293 377 HG2 GLU 46 HG2 GLU 46 1.483 -5.152 13.129 378 HG3 GLU 46 HG1 GLU 46 0.038 -6.159 13.085 379 H ASP 47 HN ASP 47 4.133 -6.916 16.265 380 HA ASP 47 HA ASP 47 3.462 -8.823 18.163 381 HB2 ASP 47 HB2 ASP 47 6.082 -7.446 17.581 382 HB3 ASP 47 HB1 ASP 47 5.948 -8.521 18.958 383 H LYS 48 HN LYS 48 5.112 -5.754 18.848 384 HA LYS 48 HA LYS 48 5.032 -4.346 20.639 385 HB2 LYS 48 HB2 LYS 48 2.598 -4.372 20.072 386 HB3 LYS 48 HB1 LYS 48 2.383 -5.692 21.208 387 HG2 LYS 48 HG2 LYS 48 3.136 -4.190 23.027 388 HG3 LYS 48 HG1 LYS 48 3.230 -2.878 21.851 389 HD2 LYS 48 HD2 LYS 48 1.126 -2.799 23.094 390 HD3 LYS 48 HD1 LYS 48 0.847 -3.118 21.381 391 HE2 LYS 48 HE2 LYS 48 0.564 -5.492 21.848 392 HE3 LYS 48 HE1 LYS 48 0.913 -5.214 23.554 393 HZ1 LYS 48 HZ1 LYS 48 -1.066 -3.873 23.711 394 HZ2 LYS 48 HZ2 LYS 48 -1.462 -5.400 23.108 395 HZ3 LYS 48 HZ3 LYS 48 -1.383 -4.075 22.065 396 H LEU 49 HN LEU 49 5.892 -7.309 20.858 397 HA LEU 49 HA LEU 49 5.482 -7.983 23.612 398 HB2 LEU 49 HB2 LEU 49 7.291 -9.134 21.490 399 HB3 LEU 49 HB1 LEU 49 7.541 -9.544 23.166 400 HG LEU 49 HG LEU 49 6.304 -11.310 22.225 401 HD11 LEU 49 HD11 LEU 49 5.564 -10.631 24.441 402 HD12 LEU 49 HD12 LEU 49 4.259 -11.345 23.497 403 HD13 LEU 49 HD13 LEU 49 4.332 -9.597 23.716 404 HD21 LEU 49 HD21 LEU 49 4.207 -11.058 21.033 405 HD22 LEU 49 HD22 LEU 49 5.497 -10.181 20.214 406 HD23 LEU 49 HD23 LEU 49 4.309 -9.307 21.184 407 H ALA 50 HN ALA 50 8.043 -6.425 21.787 408 HA ALA 50 HA ALA 50 9.859 -5.203 22.395 409 HB1 ALA 50 HB1 ALA 50 8.166 -3.803 23.495 410 HB2 ALA 50 HB2 ALA 50 9.672 -3.821 24.413 411 HB3 ALA 50 HB3 ALA 50 8.299 -4.788 24.953 412 H ASP 51 HN ASP 51 10.029 -7.927 22.708 413 HA ASP 51 HA ASP 51 11.226 -9.597 23.628 414 HB2 ASP 51 HB2 ASP 51 12.787 -7.301 24.836 415 HB3 ASP 51 HB1 ASP 51 13.276 -8.987 24.960 416 H TYR 52 HN TYR 52 9.233 -10.051 24.692 417 HA TYR 52 HA TYR 52 8.827 -9.264 27.408 418 HB2 TYR 52 HB2 TYR 52 6.934 -9.682 25.912 419 HB3 TYR 52 HB1 TYR 52 7.443 -11.350 25.706 420 HD1 TYR 52 HD1 TYR 52 6.049 -8.918 28.111 421 HD2 TYR 52 HD2 TYR 52 6.855 -13.014 27.302 422 HE1 TYR 52 HE1 TYR 52 4.630 -9.568 30.009 423 HE2 TYR 52 HE2 TYR 52 5.443 -13.674 29.198 424 HH TYR 52 HH TYR 52 4.603 -12.717 31.291 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 -1.292 -19.948 1.600 2 H2 GLY 1 HT2 GLY 1 -1.602 -18.493 0.778 3 H3 GLY 1 HT3 GLY 1 -0.293 -19.457 0.310 4 HA2 GLY 1 HA1 GLY 1 -3.145 -20.184 0.069 5 HA3 GLY 1 HA2 GLY 1 -2.098 -19.647 -1.239 6 H SER 2 HN SER 2 -1.363 -21.238 -2.454 7 HA SER 2 HA SER 2 -0.960 -23.860 -1.187 8 HB2 SER 2 HB2 SER 2 -2.944 -23.686 -2.745 9 HB3 SER 2 HB1 SER 2 -1.804 -23.390 -4.054 10 HG SER 2 HG SER 2 -1.558 -25.659 -2.389 11 H VAL 3 HN VAL 3 0.702 -21.317 -2.305 12 HA VAL 3 HA VAL 3 2.750 -23.004 -3.551 13 HB VAL 3 HB VAL 3 1.792 -21.150 -4.985 14 HG11 VAL 3 HG11 VAL 3 1.519 -19.437 -3.311 15 HG12 VAL 3 HG12 VAL 3 2.566 -18.867 -4.611 16 HG13 VAL 3 HG13 VAL 3 3.265 -19.363 -3.070 17 HG21 VAL 3 HG21 VAL 3 4.754 -21.061 -4.419 18 HG22 VAL 3 HG22 VAL 3 3.975 -20.414 -5.861 19 HG23 VAL 3 HG23 VAL 3 3.927 -22.147 -5.536 20 H GLU 4 HN GLU 4 2.106 -22.391 -0.688 21 HA GLU 4 HA GLU 4 4.186 -20.828 0.395 22 HB2 GLU 4 HB2 GLU 4 3.703 -22.531 2.435 23 HB3 GLU 4 HB1 GLU 4 2.675 -21.157 2.067 24 HG2 GLU 4 HG2 GLU 4 1.352 -23.143 2.519 25 HG3 GLU 4 HG1 GLU 4 1.140 -22.627 0.849 26 H LYS 5 HN LYS 5 3.903 -24.251 -0.292 27 HA LYS 5 HA LYS 5 5.382 -25.807 -0.943 28 HB2 LYS 5 HB2 LYS 5 7.376 -23.541 -0.910 29 HB3 LYS 5 HB1 LYS 5 7.712 -25.153 -1.529 30 HG2 LYS 5 HG2 LYS 5 6.124 -24.911 -3.280 31 HG3 LYS 5 HG1 LYS 5 5.470 -23.440 -2.566 32 HD2 LYS 5 HD2 LYS 5 6.854 -22.889 -4.469 33 HD3 LYS 5 HD1 LYS 5 7.618 -22.312 -2.989 34 HE2 LYS 5 HE2 LYS 5 9.178 -24.114 -3.008 35 HE3 LYS 5 HE1 LYS 5 8.310 -24.926 -4.311 36 HZ1 LYS 5 HZ1 LYS 5 10.337 -23.719 -5.022 37 HZ2 LYS 5 HZ2 LYS 5 9.578 -22.257 -4.593 38 HZ3 LYS 5 HZ3 LYS 5 8.928 -23.232 -5.818 39 H LEU 6 HN LEU 6 6.645 -23.767 1.580 40 HA LEU 6 HA LEU 6 7.338 -26.205 3.105 41 HB2 LEU 6 HB2 LEU 6 9.049 -23.737 2.812 42 HB3 LEU 6 HB1 LEU 6 9.246 -24.847 4.143 43 HG LEU 6 HG LEU 6 10.930 -25.377 2.593 44 HD11 LEU 6 HD11 LEU 6 9.827 -27.315 3.544 45 HD12 LEU 6 HD12 LEU 6 10.456 -27.648 1.932 46 HD13 LEU 6 HD13 LEU 6 8.731 -27.378 2.162 47 HD21 LEU 6 HD21 LEU 6 8.826 -25.447 0.433 48 HD22 LEU 6 HD22 LEU 6 10.524 -25.877 0.225 49 HD23 LEU 6 HD23 LEU 6 10.079 -24.221 0.637 50 H THR 7 HN THR 7 5.930 -23.109 3.027 51 HA THR 7 HA THR 7 5.818 -22.790 5.895 52 HB THR 7 HB THR 7 4.412 -21.085 3.842 53 HG1 THR 7 HG1 THR 7 7.164 -21.227 4.527 54 HG21 THR 7 HG21 THR 7 5.658 -20.481 6.536 55 HG22 THR 7 HG22 THR 7 3.932 -20.662 6.223 56 HG23 THR 7 HG23 THR 7 4.821 -19.321 5.505 57 H ALA 8 HN ALA 8 4.520 -25.141 4.814 58 HA ALA 8 HA ALA 8 1.792 -24.962 4.292 59 HB1 ALA 8 HB1 ALA 8 1.617 -27.287 5.020 60 HB2 ALA 8 HB2 ALA 8 3.197 -27.188 5.787 61 HB3 ALA 8 HB3 ALA 8 3.054 -27.051 4.031 62 H ASP 9 HN ASP 9 3.443 -24.520 7.267 63 HA ASP 9 HA ASP 9 1.416 -25.093 9.116 64 HB2 ASP 9 HB2 ASP 9 3.558 -22.979 9.372 65 HB3 ASP 9 HB1 ASP 9 2.703 -23.785 10.684 66 H ALA 10 HN ALA 10 2.007 -22.365 7.072 67 HA ALA 10 HA ALA 10 0.387 -20.467 8.407 68 HB1 ALA 10 HB1 ALA 10 1.040 -20.587 5.454 69 HB2 ALA 10 HB2 ALA 10 2.008 -19.784 6.696 70 HB3 ALA 10 HB3 ALA 10 0.393 -19.200 6.323 71 H GLU 11 HN GLU 11 -0.341 -22.914 5.993 72 HA GLU 11 HA GLU 11 -2.982 -22.077 5.428 73 HB2 GLU 11 HB2 GLU 11 -1.801 -23.683 3.976 74 HB3 GLU 11 HB1 GLU 11 -1.832 -24.882 5.265 75 HG2 GLU 11 HG2 GLU 11 -4.276 -24.889 5.174 76 HG3 GLU 11 HG1 GLU 11 -4.222 -23.722 3.860 77 H LEU 12 HN LEU 12 -1.721 -24.437 7.747 78 HA LEU 12 HA LEU 12 -4.270 -25.036 8.830 79 HB2 LEU 12 HB2 LEU 12 -3.089 -26.136 10.689 80 HB3 LEU 12 HB1 LEU 12 -2.496 -26.639 9.128 81 HG LEU 12 HG LEU 12 -0.595 -24.853 9.623 82 HD11 LEU 12 HD11 LEU 12 -1.608 -23.971 11.632 83 HD12 LEU 12 HD12 LEU 12 -0.028 -24.689 11.938 84 HD13 LEU 12 HD13 LEU 12 -1.495 -25.561 12.390 85 HD21 LEU 12 HD21 LEU 12 -0.206 -27.217 9.293 86 HD22 LEU 12 HD22 LEU 12 -0.752 -27.554 10.936 87 HD23 LEU 12 HD23 LEU 12 0.724 -26.627 10.670 88 H GLN 13 HN GLN 13 -1.889 -22.584 9.630 89 HA GLN 13 HA GLN 13 -3.184 -21.688 11.999 90 HB2 GLN 13 HB2 GLN 13 -1.324 -20.224 10.119 91 HB3 GLN 13 HB1 GLN 13 -1.888 -19.579 11.650 92 HG2 GLN 13 HG2 GLN 13 -0.804 -21.371 12.850 93 HG3 GLN 13 HG1 GLN 13 -0.297 -22.109 11.331 94 HE21 GLN 13 HE21 GLN 13 1.862 -21.968 11.834 95 HE22 GLN 13 HE22 GLN 13 2.718 -20.459 11.835 96 H ARG 14 HN ARG 14 -3.581 -20.969 8.610 97 HA ARG 14 HA ARG 14 -5.285 -18.725 8.918 98 HB2 ARG 14 HB2 ARG 14 -4.154 -19.417 6.749 99 HB3 ARG 14 HB1 ARG 14 -5.369 -20.685 6.607 100 HG2 ARG 14 HG2 ARG 14 -7.125 -19.006 6.533 101 HG3 ARG 14 HG1 ARG 14 -5.923 -17.728 6.716 102 HD2 ARG 14 HD2 ARG 14 -6.437 -17.856 4.408 103 HD3 ARG 14 HD1 ARG 14 -4.849 -18.590 4.616 104 HE ARG 14 HE ARG 14 -7.338 -20.139 4.325 105 HH11 ARG 14 HH11 ARG 14 -3.900 -19.690 3.671 106 HH12 ARG 14 HH12 ARG 14 -3.793 -21.109 2.687 107 HH21 ARG 14 HH21 ARG 14 -7.182 -21.988 3.010 108 HH22 ARG 14 HH22 ARG 14 -5.666 -22.414 2.295 109 H LEU 15 HN LEU 15 -5.786 -22.152 8.987 110 HA LEU 15 HA LEU 15 -8.632 -22.080 8.932 111 HB2 LEU 15 HB2 LEU 15 -7.304 -24.083 8.361 112 HB3 LEU 15 HB1 LEU 15 -6.770 -24.194 10.024 113 HG LEU 15 HG LEU 15 -9.160 -24.538 10.695 114 HD11 LEU 15 HD11 LEU 15 -10.228 -23.524 8.758 115 HD12 LEU 15 HD12 LEU 15 -10.756 -25.193 8.970 116 HD13 LEU 15 HD13 LEU 15 -9.577 -24.794 7.721 117 HD21 LEU 15 HD21 LEU 15 -9.240 -26.869 9.954 118 HD22 LEU 15 HD22 LEU 15 -7.617 -26.411 10.470 119 HD23 LEU 15 HD23 LEU 15 -7.996 -26.530 8.752 120 H LYS 16 HN LYS 16 -6.168 -22.057 11.454 121 HA LYS 16 HA LYS 16 -7.971 -22.259 13.627 122 HB2 LYS 16 HB2 LYS 16 -5.126 -21.275 13.537 123 HB3 LYS 16 HB1 LYS 16 -6.057 -21.406 15.015 124 HG2 LYS 16 HG2 LYS 16 -6.341 -23.846 14.521 125 HG3 LYS 16 HG1 LYS 16 -5.187 -23.636 13.200 126 HD2 LYS 16 HD2 LYS 16 -3.489 -22.884 14.755 127 HD3 LYS 16 HD1 LYS 16 -4.639 -22.949 16.089 128 HE2 LYS 16 HE2 LYS 16 -3.265 -24.902 16.203 129 HE3 LYS 16 HE1 LYS 16 -4.870 -25.396 15.672 130 HZ1 LYS 16 HZ1 LYS 16 -2.486 -25.019 13.953 131 HZ2 LYS 16 HZ2 LYS 16 -4.031 -25.423 13.389 132 HZ3 LYS 16 HZ3 LYS 16 -3.189 -26.496 14.380 133 H ASN 17 HN ASN 17 -7.147 -19.664 11.644 134 HA ASN 17 HA ASN 17 -8.969 -17.950 12.994 135 HB2 ASN 17 HB2 ASN 17 -7.105 -17.594 14.514 136 HB3 ASN 17 HB1 ASN 17 -6.017 -17.290 13.166 137 HD21 ASN 17 HD21 ASN 17 -5.456 -15.275 13.950 138 HD22 ASN 17 HD22 ASN 17 -6.532 -13.923 13.885 139 H GLU 18 HN GLU 18 -6.025 -17.320 11.208 140 HA GLU 18 HA GLU 18 -7.003 -17.094 8.635 141 HB2 GLU 18 HB2 GLU 18 -8.565 -15.425 9.343 142 HB3 GLU 18 HB1 GLU 18 -7.356 -14.458 10.136 143 HG2 GLU 18 HG2 GLU 18 -7.819 -13.336 8.145 144 HG3 GLU 18 HG1 GLU 18 -6.326 -14.206 7.790 145 H ARG 19 HN ARG 19 -5.228 -14.425 10.198 146 HA ARG 19 HA ARG 19 -3.098 -13.727 10.110 147 HB2 ARG 19 HB2 ARG 19 -2.508 -16.572 9.332 148 HB3 ARG 19 HB1 ARG 19 -1.274 -15.348 9.589 149 HG2 ARG 19 HG2 ARG 19 -2.540 -15.083 11.894 150 HG3 ARG 19 HG1 ARG 19 -2.993 -16.753 11.543 151 HD2 ARG 19 HD2 ARG 19 -0.973 -16.762 12.832 152 HD3 ARG 19 HD1 ARG 19 -0.596 -17.271 11.186 153 HE ARG 19 HE ARG 19 -0.229 -14.478 11.415 154 HH11 ARG 19 HH11 ARG 19 1.262 -17.515 12.366 155 HH12 ARG 19 HH12 ARG 19 2.840 -16.826 12.540 156 HH21 ARG 19 HH21 ARG 19 1.872 -13.577 11.652 157 HH22 ARG 19 HH22 ARG 19 3.189 -14.589 12.144 158 H HIS 20 HN HIS 20 -3.780 -12.316 8.267 159 HA HIS 20 HA HIS 20 -3.596 -13.189 5.578 160 HB2 HIS 20 HB2 HIS 20 -3.533 -10.394 6.743 161 HB3 HIS 20 HB1 HIS 20 -3.590 -10.748 5.023 162 HD2 HIS 20 HD2 HIS 20 -5.929 -10.842 8.133 163 HE1 HIS 20 HE1 HIS 20 -8.253 -11.601 4.678 164 HE2 HIS 20 HE2 HIS 20 -8.291 -11.001 7.123 165 H GLU 21 HN GLU 21 -1.226 -12.680 7.842 166 HA GLU 21 HA GLU 21 0.885 -11.534 6.437 167 HB2 GLU 21 HB2 GLU 21 1.034 -13.787 8.458 168 HB3 GLU 21 HB1 GLU 21 2.382 -12.784 7.950 169 HG2 GLU 21 HG2 GLU 21 1.746 -11.915 10.017 170 HG3 GLU 21 HG1 GLU 21 1.034 -10.811 8.844 171 H GLU 22 HN GLU 22 -0.500 -14.726 6.305 172 HA GLU 22 HA GLU 22 1.499 -16.068 4.859 173 HB2 GLU 22 HB2 GLU 22 -0.341 -17.348 5.771 174 HB3 GLU 22 HB1 GLU 22 -1.513 -16.452 4.820 175 HG2 GLU 22 HG2 GLU 22 -0.244 -17.367 2.785 176 HG3 GLU 22 HG1 GLU 22 0.452 -18.513 3.927 177 H ALA 23 HN ALA 23 -1.349 -14.299 3.693 178 HA ALA 23 HA ALA 23 -0.723 -14.592 0.936 179 HB1 ALA 23 HB1 ALA 23 -3.017 -14.090 1.706 180 HB2 ALA 23 HB2 ALA 23 -2.448 -12.922 0.520 181 HB3 ALA 23 HB3 ALA 23 -2.482 -12.489 2.226 182 H GLU 24 HN GLU 24 0.037 -12.229 3.353 183 HA GLU 24 HA GLU 24 1.047 -10.187 1.709 184 HB2 GLU 24 HB2 GLU 24 0.570 -9.817 4.086 185 HB3 GLU 24 HB1 GLU 24 1.862 -10.914 4.542 186 HG2 GLU 24 HG2 GLU 24 3.500 -9.399 3.586 187 HG3 GLU 24 HG1 GLU 24 2.208 -8.312 3.079 188 H LEU 25 HN LEU 25 2.754 -12.855 3.327 189 HA LEU 25 HA LEU 25 5.251 -12.120 2.115 190 HB2 LEU 25 HB2 LEU 25 4.361 -14.308 3.932 191 HB3 LEU 25 HB1 LEU 25 5.872 -14.494 3.067 192 HG LEU 25 HG LEU 25 6.691 -12.389 4.098 193 HD11 LEU 25 HD11 LEU 25 4.142 -12.526 5.699 194 HD12 LEU 25 HD12 LEU 25 4.586 -11.275 4.535 195 HD13 LEU 25 HD13 LEU 25 5.507 -11.461 6.025 196 HD21 LEU 25 HD21 LEU 25 7.244 -14.539 5.070 197 HD22 LEU 25 HD22 LEU 25 5.767 -14.497 6.033 198 HD23 LEU 25 HD23 LEU 25 7.042 -13.316 6.323 199 H GLU 26 HN GLU 26 2.754 -14.513 1.498 200 HA GLU 26 HA GLU 26 4.131 -16.072 -0.365 201 HB2 GLU 26 HB2 GLU 26 1.947 -16.678 0.625 202 HB3 GLU 26 HB1 GLU 26 1.179 -15.427 -0.340 203 HG2 GLU 26 HG2 GLU 26 1.648 -16.578 -2.357 204 HG3 GLU 26 HG1 GLU 26 2.704 -17.722 -1.530 205 H ARG 27 HN ARG 27 2.511 -13.001 -0.711 206 HA ARG 27 HA ARG 27 2.467 -12.785 -3.497 207 HB2 ARG 27 HB2 ARG 27 1.370 -11.096 -2.155 208 HB3 ARG 27 HB1 ARG 27 2.897 -10.616 -1.422 209 HG2 ARG 27 HG2 ARG 27 3.675 -9.913 -3.675 210 HG3 ARG 27 HG1 ARG 27 2.050 -10.241 -4.279 211 HD2 ARG 27 HD2 ARG 27 1.117 -8.594 -2.810 212 HD3 ARG 27 HD1 ARG 27 2.679 -8.352 -2.026 213 HE ARG 27 HE ARG 27 3.099 -7.839 -4.692 214 HH11 ARG 27 HH11 ARG 27 1.098 -6.544 -2.120 215 HH12 ARG 27 HH12 ARG 27 1.041 -4.948 -2.779 216 HH21 ARG 27 HH21 ARG 27 3.015 -5.722 -5.581 217 HH22 ARG 27 HH22 ARG 27 2.137 -4.477 -4.767 218 H LEU 28 HN LEU 28 5.042 -11.906 -1.213 219 HA LEU 28 HA LEU 28 6.870 -11.030 -3.180 220 HB2 LEU 28 HB2 LEU 28 7.345 -12.023 -0.360 221 HB3 LEU 28 HB1 LEU 28 8.637 -11.496 -1.406 222 HG LEU 28 HG LEU 28 8.139 -9.702 0.057 223 HD11 LEU 28 HD11 LEU 28 6.894 -9.096 -2.613 224 HD12 LEU 28 HD12 LEU 28 8.617 -9.062 -2.235 225 HD13 LEU 28 HD13 LEU 28 7.521 -7.917 -1.462 226 HD21 LEU 28 HD21 LEU 28 5.925 -8.681 0.248 227 HD22 LEU 28 HD22 LEU 28 5.915 -10.365 0.773 228 HD23 LEU 28 HD23 LEU 28 5.262 -9.930 -0.806 229 H LYS 29 HN LYS 29 6.254 -14.181 -1.752 230 HA LYS 29 HA LYS 29 8.390 -15.562 -2.934 231 HB2 LYS 29 HB2 LYS 29 5.625 -16.602 -2.274 232 HB3 LYS 29 HB1 LYS 29 7.048 -17.588 -2.568 233 HG2 LYS 29 HG2 LYS 29 8.113 -16.711 -0.584 234 HG3 LYS 29 HG1 LYS 29 6.765 -15.610 -0.319 235 HD2 LYS 29 HD2 LYS 29 6.362 -17.384 1.163 236 HD3 LYS 29 HD1 LYS 29 5.302 -17.713 -0.202 237 HE2 LYS 29 HE2 LYS 29 8.040 -18.936 0.021 238 HE3 LYS 29 HE1 LYS 29 6.632 -19.667 0.781 239 HZ1 LYS 29 HZ1 LYS 29 6.977 -20.684 -1.322 240 HZ2 LYS 29 HZ2 LYS 29 7.068 -19.221 -2.139 241 HZ3 LYS 29 HZ3 LYS 29 5.597 -19.732 -1.473 242 H SER 30 HN SER 30 5.247 -14.654 -4.149 243 HA SER 30 HA SER 30 5.467 -16.221 -6.547 244 HB2 SER 30 HB2 SER 30 3.250 -15.669 -5.568 245 HB3 SER 30 HB1 SER 30 3.534 -13.964 -5.919 246 HG SER 30 HG SER 30 3.383 -14.358 -8.054 247 H GLU 31 HN GLU 31 5.830 -12.777 -5.748 248 HA GLU 31 HA GLU 31 6.405 -12.029 -8.448 249 HB2 GLU 31 HB2 GLU 31 6.796 -10.531 -5.862 250 HB3 GLU 31 HB1 GLU 31 7.052 -9.839 -7.455 251 HG2 GLU 31 HG2 GLU 31 4.636 -10.469 -7.939 252 HG3 GLU 31 HG1 GLU 31 4.483 -10.742 -6.203 253 H ARG 32 HN ARG 32 8.328 -13.062 -5.745 254 HA ARG 32 HA ARG 32 10.741 -12.662 -7.372 255 HB2 ARG 32 HB2 ARG 32 10.416 -12.395 -4.379 256 HB3 ARG 32 HB1 ARG 32 11.971 -12.425 -5.196 257 HG2 ARG 32 HG2 ARG 32 11.537 -10.366 -6.286 258 HG3 ARG 32 HG1 ARG 32 9.838 -10.397 -5.812 259 HD2 ARG 32 HD2 ARG 32 11.165 -8.826 -4.460 260 HD3 ARG 32 HD1 ARG 32 10.447 -10.107 -3.487 261 HE ARG 32 HE ARG 32 13.071 -10.808 -4.285 262 HH11 ARG 32 HH11 ARG 32 11.380 -8.660 -2.064 263 HH12 ARG 32 HH12 ARG 32 12.646 -8.680 -0.893 264 HH21 ARG 32 HH21 ARG 32 14.754 -10.810 -2.702 265 HH22 ARG 32 HH22 ARG 32 14.553 -9.894 -1.249 266 H HIS 33 HN HIS 33 11.034 -14.651 -8.172 267 HA HIS 33 HA HIS 33 10.313 -17.075 -6.988 268 HB2 HIS 33 HB2 HIS 33 10.804 -16.735 -9.405 269 HB3 HIS 33 HB1 HIS 33 12.515 -16.641 -9.012 270 HD2 HIS 33 HD2 HIS 33 13.630 -19.156 -8.107 271 HE1 HIS 33 HE1 HIS 33 10.457 -21.444 -9.736 272 HE2 HIS 33 HE2 HIS 33 12.827 -21.481 -8.880 273 H ASP 34 HN ASP 34 13.327 -15.268 -6.773 274 HA ASP 34 HA ASP 34 14.798 -17.333 -5.459 275 HB2 ASP 34 HB2 ASP 34 15.998 -15.474 -6.510 276 HB3 ASP 34 HB1 ASP 34 15.257 -14.328 -5.399 277 H HIS 35 HN HIS 35 13.059 -14.511 -4.291 278 HA HIS 35 HA HIS 35 13.481 -14.979 -1.530 279 HB2 HIS 35 HB2 HIS 35 12.660 -12.793 -2.548 280 HB3 HIS 35 HB1 HIS 35 11.079 -13.551 -2.713 281 HD2 HIS 35 HD2 HIS 35 9.728 -13.983 -0.234 282 HE1 HIS 35 HE1 HIS 35 12.325 -11.468 1.974 283 HE2 HIS 35 HE2 HIS 35 10.301 -12.948 2.073 284 H ASP 36 HN ASP 36 11.326 -16.347 -3.820 285 HA ASP 36 HA ASP 36 9.263 -17.336 -2.235 286 HB2 ASP 36 HB2 ASP 36 9.033 -17.559 -4.596 287 HB3 ASP 36 HB1 ASP 36 10.511 -18.501 -4.740 288 H LYS 37 HN LYS 37 12.246 -19.067 -3.121 289 HA LYS 37 HA LYS 37 11.667 -21.286 -1.438 290 HB2 LYS 37 HB2 LYS 37 13.177 -21.584 -3.329 291 HB3 LYS 37 HB1 LYS 37 14.303 -20.409 -2.659 292 HG2 LYS 37 HG2 LYS 37 14.759 -21.889 -0.787 293 HG3 LYS 37 HG1 LYS 37 13.598 -23.058 -1.419 294 HD2 LYS 37 HD2 LYS 37 14.949 -23.409 -3.383 295 HD3 LYS 37 HD1 LYS 37 16.049 -22.117 -2.906 296 HE2 LYS 37 HE2 LYS 37 16.976 -24.341 -2.415 297 HE3 LYS 37 HE1 LYS 37 16.737 -23.386 -0.955 298 HZ1 LYS 37 HZ1 LYS 37 14.738 -24.612 -0.490 299 HZ2 LYS 37 HZ2 LYS 37 16.014 -25.695 -0.705 300 HZ3 LYS 37 HZ3 LYS 37 14.875 -25.485 -1.932 301 H LYS 38 HN LYS 38 13.686 -18.439 -1.071 302 HA LYS 38 HA LYS 38 14.849 -19.104 1.387 303 HB2 LYS 38 HB2 LYS 38 14.348 -16.454 0.060 304 HB3 LYS 38 HB1 LYS 38 14.987 -16.539 1.685 305 HG2 LYS 38 HG2 LYS 38 16.770 -16.269 0.078 306 HG3 LYS 38 HG1 LYS 38 16.900 -17.823 0.891 307 HD2 LYS 38 HD2 LYS 38 16.100 -18.983 -1.018 308 HD3 LYS 38 HD1 LYS 38 15.594 -17.482 -1.798 309 HE2 LYS 38 HE2 LYS 38 17.676 -18.378 -2.755 310 HE3 LYS 38 HE1 LYS 38 17.901 -16.788 -2.031 311 HZ1 LYS 38 HZ1 LYS 38 18.617 -19.380 -0.777 312 HZ2 LYS 38 HZ2 LYS 38 18.819 -17.861 -0.069 313 HZ3 LYS 38 HZ3 LYS 38 19.699 -18.271 -1.443 314 H GLU 39 HN GLU 39 11.893 -17.277 0.724 315 HA GLU 39 HA GLU 39 11.368 -16.759 3.491 316 HB2 GLU 39 HB2 GLU 39 10.438 -15.424 1.517 317 HB3 GLU 39 HB1 GLU 39 9.284 -16.736 1.308 318 HG2 GLU 39 HG2 GLU 39 8.229 -15.014 2.545 319 HG3 GLU 39 HG1 GLU 39 8.541 -16.353 3.650 320 H ALA 40 HN ALA 40 10.441 -19.234 1.223 321 HA ALA 40 HA ALA 40 8.383 -20.450 2.692 322 HB1 ALA 40 HB1 ALA 40 10.339 -21.846 0.851 323 HB2 ALA 40 HB2 ALA 40 8.871 -21.013 0.329 324 HB3 ALA 40 HB3 ALA 40 8.760 -22.438 1.352 325 H GLU 41 HN GLU 41 11.851 -21.190 2.607 326 HA GLU 41 HA GLU 41 11.652 -23.146 4.684 327 HB2 GLU 41 HB2 GLU 41 14.103 -21.767 3.576 328 HB3 GLU 41 HB1 GLU 41 14.096 -23.208 4.582 329 HG2 GLU 41 HG2 GLU 41 12.882 -24.414 2.828 330 HG3 GLU 41 HG1 GLU 41 12.933 -22.972 1.816 331 H ARG 42 HN ARG 42 12.241 -19.730 4.555 332 HA ARG 42 HA ARG 42 13.382 -19.492 7.147 333 HB2 ARG 42 HB2 ARG 42 13.660 -17.705 5.466 334 HB3 ARG 42 HB1 ARG 42 11.938 -17.355 5.543 335 HG2 ARG 42 HG2 ARG 42 12.100 -16.474 7.698 336 HG3 ARG 42 HG1 ARG 42 13.689 -17.191 7.965 337 HD2 ARG 42 HD2 ARG 42 13.956 -14.835 7.584 338 HD3 ARG 42 HD1 ARG 42 14.604 -15.714 6.205 339 HE ARG 42 HE ARG 42 11.935 -15.032 5.644 340 HH11 ARG 42 HH11 ARG 42 15.073 -13.516 6.070 341 HH12 ARG 42 HH12 ARG 42 14.689 -12.133 5.112 342 HH21 ARG 42 HH21 ARG 42 11.417 -13.188 4.364 343 HH22 ARG 42 HH22 ARG 42 12.601 -11.934 4.150 344 H LYS 43 HN LYS 43 10.063 -18.927 5.967 345 HA LYS 43 HA LYS 43 9.060 -18.484 8.587 346 HB2 LYS 43 HB2 LYS 43 7.622 -19.179 6.027 347 HB3 LYS 43 HB1 LYS 43 6.799 -18.889 7.547 348 HG2 LYS 43 HG2 LYS 43 8.469 -16.925 5.995 349 HG3 LYS 43 HG1 LYS 43 6.721 -16.899 6.223 350 HD2 LYS 43 HD2 LYS 43 8.844 -16.475 8.335 351 HD3 LYS 43 HD1 LYS 43 7.724 -15.277 7.698 352 HE2 LYS 43 HE2 LYS 43 6.968 -17.723 9.307 353 HE3 LYS 43 HE1 LYS 43 7.040 -16.073 9.914 354 HZ1 LYS 43 HZ1 LYS 43 4.791 -16.667 9.420 355 HZ2 LYS 43 HZ2 LYS 43 5.183 -17.117 7.847 356 HZ3 LYS 43 HZ3 LYS 43 5.284 -15.491 8.311 357 H ALA 44 HN ALA 44 9.654 -21.325 6.734 358 HA ALA 44 HA ALA 44 8.014 -23.146 8.100 359 HB1 ALA 44 HB1 ALA 44 9.572 -24.898 7.391 360 HB2 ALA 44 HB2 ALA 44 10.759 -23.684 6.928 361 HB3 ALA 44 HB3 ALA 44 9.220 -23.793 6.068 362 H LEU 45 HN LEU 45 11.317 -22.086 8.809 363 HA LEU 45 HA LEU 45 11.590 -23.631 11.188 364 HB2 LEU 45 HB2 LEU 45 13.532 -22.827 9.945 365 HB3 LEU 45 HB1 LEU 45 13.065 -21.165 10.248 366 HG LEU 45 HG LEU 45 13.435 -21.546 12.676 367 HD11 LEU 45 HD11 LEU 45 14.725 -23.510 13.366 368 HD12 LEU 45 HD12 LEU 45 14.547 -24.186 11.745 369 HD13 LEU 45 HD13 LEU 45 13.126 -23.943 12.761 370 HD21 LEU 45 HD21 LEU 45 15.887 -21.544 12.534 371 HD22 LEU 45 HD22 LEU 45 15.147 -20.499 11.323 372 HD23 LEU 45 HD23 LEU 45 15.779 -22.078 10.857 373 H GLU 46 HN GLU 46 10.441 -20.439 10.447 374 HA GLU 46 HA GLU 46 10.369 -19.464 13.128 375 HB2 GLU 46 HB2 GLU 46 10.472 -17.919 11.226 376 HB3 GLU 46 HB1 GLU 46 8.904 -18.481 10.662 377 HG2 GLU 46 HG2 GLU 46 8.804 -16.311 11.784 378 HG3 GLU 46 HG1 GLU 46 7.822 -17.541 12.575 379 H ASP 47 HN ASP 47 7.882 -20.800 10.989 380 HA ASP 47 HA ASP 47 5.846 -20.463 12.984 381 HB2 ASP 47 HB2 ASP 47 5.797 -21.710 10.249 382 HB3 ASP 47 HB1 ASP 47 4.448 -21.897 11.361 383 H LYS 48 HN LYS 48 7.693 -23.236 11.838 384 HA LYS 48 HA LYS 48 6.258 -25.065 13.519 385 HB2 LYS 48 HB2 LYS 48 8.923 -25.368 12.119 386 HB3 LYS 48 HB1 LYS 48 8.142 -26.646 13.031 387 HG2 LYS 48 HG2 LYS 48 6.213 -26.524 11.502 388 HG3 LYS 48 HG1 LYS 48 7.078 -25.311 10.556 389 HD2 LYS 48 HD2 LYS 48 8.854 -26.902 10.092 390 HD3 LYS 48 HD1 LYS 48 8.062 -28.112 11.105 391 HE2 LYS 48 HE2 LYS 48 7.607 -28.565 8.770 392 HE3 LYS 48 HE1 LYS 48 6.124 -28.080 9.586 393 HZ1 LYS 48 HZ1 LYS 48 6.423 -27.040 7.394 394 HZ2 LYS 48 HZ2 LYS 48 7.813 -26.266 7.956 395 HZ3 LYS 48 HZ3 LYS 48 6.300 -25.900 8.639 396 H LEU 49 HN LEU 49 8.847 -22.868 13.996 397 HA LEU 49 HA LEU 49 10.214 -22.360 15.717 398 HB2 LEU 49 HB2 LEU 49 7.969 -22.247 16.814 399 HB3 LEU 49 HB1 LEU 49 8.205 -23.889 17.367 400 HG LEU 49 HG LEU 49 10.055 -23.193 18.774 401 HD11 LEU 49 HD11 LEU 49 10.607 -20.804 19.011 402 HD12 LEU 49 HD12 LEU 49 9.542 -20.437 17.656 403 HD13 LEU 49 HD13 LEU 49 10.984 -21.419 17.403 404 HD21 LEU 49 HD21 LEU 49 8.793 -21.761 20.319 405 HD22 LEU 49 HD22 LEU 49 7.813 -23.081 19.668 406 HD23 LEU 49 HD23 LEU 49 7.627 -21.448 19.031 407 H ALA 50 HN ALA 50 10.405 -24.997 14.305 408 HA ALA 50 HA ALA 50 12.404 -26.196 16.042 409 HB1 ALA 50 HB1 ALA 50 11.538 -28.460 15.658 410 HB2 ALA 50 HB2 ALA 50 10.153 -27.783 14.803 411 HB3 ALA 50 HB3 ALA 50 10.368 -27.463 16.523 412 H ASP 51 HN ASP 51 13.865 -27.612 14.834 413 HA ASP 51 HA ASP 51 14.238 -26.603 12.140 414 HB2 ASP 51 HB2 ASP 51 15.928 -28.290 13.972 415 HB3 ASP 51 HB1 ASP 51 16.350 -28.059 12.281 416 H TYR 52 HN TYR 52 12.846 -29.308 13.622 417 HA TYR 52 HA TYR 52 12.702 -30.669 11.045 418 HB2 TYR 52 HB2 TYR 52 13.351 -32.044 13.666 419 HB3 TYR 52 HB1 TYR 52 13.045 -32.855 12.134 420 HD1 TYR 52 HD1 TYR 52 15.523 -31.418 14.245 421 HD2 TYR 52 HD2 TYR 52 14.619 -32.272 10.179 422 HE1 TYR 52 HE1 TYR 52 17.908 -31.226 13.680 423 HE2 TYR 52 HE2 TYR 52 16.998 -32.087 9.604 424 HH TYR 52 HH TYR 52 19.002 -30.975 10.487 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 6.725 -10.323 10.697 2 H2 GLY 1 HT2 GLY 1 6.395 -11.356 11.998 3 H3 GLY 1 HT3 GLY 1 5.527 -11.507 10.544 4 HA2 GLY 1 HA1 GLY 1 7.552 -12.154 9.392 5 HA3 GLY 1 HA2 GLY 1 8.422 -12.026 10.916 6 H SER 2 HN SER 2 5.482 -13.543 9.609 7 HA SER 2 HA SER 2 5.389 -15.659 11.480 8 HB2 SER 2 HB2 SER 2 4.126 -15.508 8.731 9 HB3 SER 2 HB1 SER 2 3.642 -16.581 10.044 10 HG SER 2 HG SER 2 3.583 -13.729 10.151 11 H VAL 3 HN VAL 3 7.886 -16.006 10.988 12 HA VAL 3 HA VAL 3 8.072 -18.429 9.381 13 HB VAL 3 HB VAL 3 10.289 -17.706 8.441 14 HG11 VAL 3 HG11 VAL 3 9.364 -16.334 6.625 15 HG12 VAL 3 HG12 VAL 3 7.905 -16.074 7.581 16 HG13 VAL 3 HG13 VAL 3 8.318 -17.697 7.029 17 HG21 VAL 3 HG21 VAL 3 10.787 -15.889 9.985 18 HG22 VAL 3 HG22 VAL 3 9.412 -14.970 9.372 19 HG23 VAL 3 HG23 VAL 3 10.790 -15.301 8.322 20 H GLU 4 HN GLU 4 8.995 -16.470 12.011 21 HA GLU 4 HA GLU 4 10.114 -18.509 13.571 22 HB2 GLU 4 HB2 GLU 4 11.992 -18.283 11.899 23 HB3 GLU 4 HB1 GLU 4 12.207 -16.626 12.440 24 HG2 GLU 4 HG2 GLU 4 13.838 -18.156 13.428 25 HG3 GLU 4 HG1 GLU 4 12.819 -17.388 14.647 26 H LYS 5 HN LYS 5 9.871 -15.106 12.891 27 HA LYS 5 HA LYS 5 10.145 -14.494 15.705 28 HB2 LYS 5 HB2 LYS 5 9.690 -12.800 13.262 29 HB3 LYS 5 HB1 LYS 5 9.477 -12.144 14.880 30 HG2 LYS 5 HG2 LYS 5 11.812 -12.809 15.393 31 HG3 LYS 5 HG1 LYS 5 11.996 -13.291 13.705 32 HD2 LYS 5 HD2 LYS 5 11.622 -11.043 12.960 33 HD3 LYS 5 HD1 LYS 5 11.195 -10.525 14.593 34 HE2 LYS 5 HE2 LYS 5 13.475 -9.852 14.017 35 HE3 LYS 5 HE1 LYS 5 13.462 -11.003 15.351 36 HZ1 LYS 5 HZ1 LYS 5 14.057 -11.624 12.514 37 HZ2 LYS 5 HZ2 LYS 5 14.018 -12.759 13.766 38 HZ3 LYS 5 HZ3 LYS 5 15.182 -11.536 13.767 39 H LEU 6 HN LEU 6 7.923 -15.998 14.040 40 HA LEU 6 HA LEU 6 5.499 -14.701 14.391 41 HB2 LEU 6 HB2 LEU 6 5.747 -16.764 13.050 42 HB3 LEU 6 HB1 LEU 6 6.029 -17.677 14.517 43 HG LEU 6 HG LEU 6 3.742 -17.173 15.266 44 HD11 LEU 6 HD11 LEU 6 2.140 -16.192 13.696 45 HD12 LEU 6 HD12 LEU 6 3.456 -15.846 12.575 46 HD13 LEU 6 HD13 LEU 6 3.403 -15.049 14.147 47 HD21 LEU 6 HD21 LEU 6 2.590 -18.604 13.661 48 HD22 LEU 6 HD22 LEU 6 4.200 -19.222 14.028 49 HD23 LEU 6 HD23 LEU 6 3.904 -18.376 12.507 50 H THR 7 HN THR 7 7.326 -16.779 16.553 51 HA THR 7 HA THR 7 5.659 -16.993 18.708 52 HB THR 7 HB THR 7 8.582 -16.226 18.965 53 HG1 THR 7 HG1 THR 7 7.391 -18.417 17.926 54 HG21 THR 7 HG21 THR 7 8.480 -17.483 21.074 55 HG22 THR 7 HG22 THR 7 6.756 -17.758 20.825 56 HG23 THR 7 HG23 THR 7 7.358 -16.121 21.089 57 H ALA 8 HN ALA 8 7.681 -14.129 18.045 58 HA ALA 8 HA ALA 8 6.430 -12.596 20.133 59 HB1 ALA 8 HB1 ALA 8 7.760 -10.718 19.350 60 HB2 ALA 8 HB2 ALA 8 8.208 -11.600 17.895 61 HB3 ALA 8 HB3 ALA 8 8.765 -12.158 19.474 62 H ASP 9 HN ASP 9 6.253 -12.579 16.589 63 HA ASP 9 HA ASP 9 4.518 -10.441 16.217 64 HB2 ASP 9 HB2 ASP 9 4.749 -12.992 14.618 65 HB3 ASP 9 HB1 ASP 9 3.762 -11.631 14.125 66 H ALA 10 HN ALA 10 3.820 -13.683 17.248 67 HA ALA 10 HA ALA 10 1.114 -13.906 16.740 68 HB1 ALA 10 HB1 ALA 10 0.981 -15.483 18.601 69 HB2 ALA 10 HB2 ALA 10 2.543 -14.937 19.199 70 HB3 ALA 10 HB3 ALA 10 2.429 -15.764 17.642 71 H GLU 11 HN GLU 11 2.653 -12.146 19.369 72 HA GLU 11 HA GLU 11 0.138 -11.651 20.693 73 HB2 GLU 11 HB2 GLU 11 2.829 -10.316 21.135 74 HB3 GLU 11 HB1 GLU 11 1.423 -10.165 22.177 75 HG2 GLU 11 HG2 GLU 11 1.547 -12.605 22.598 76 HG3 GLU 11 HG1 GLU 11 3.043 -12.655 21.674 77 H LEU 12 HN LEU 12 2.430 -9.812 18.767 78 HA LEU 12 HA LEU 12 1.126 -7.358 18.637 79 HB2 LEU 12 HB2 LEU 12 2.893 -8.768 16.631 80 HB3 LEU 12 HB1 LEU 12 2.331 -7.135 16.422 81 HG LEU 12 HG LEU 12 3.699 -6.310 18.175 82 HD11 LEU 12 HD11 LEU 12 5.002 -7.705 19.681 83 HD12 LEU 12 HD12 LEU 12 4.314 -9.156 18.953 84 HD13 LEU 12 HD13 LEU 12 3.280 -8.048 19.853 85 HD21 LEU 12 HD21 LEU 12 5.142 -8.429 16.615 86 HD22 LEU 12 HD22 LEU 12 5.941 -7.182 17.564 87 HD23 LEU 12 HD23 LEU 12 4.936 -6.730 16.180 88 H GLN 13 HN GLN 13 1.112 -9.924 16.200 89 HA GLN 13 HA GLN 13 -0.792 -8.702 14.532 90 HB2 GLN 13 HB2 GLN 13 0.020 -11.602 14.630 91 HB3 GLN 13 HB1 GLN 13 -0.805 -10.799 13.300 92 HG2 GLN 13 HG2 GLN 13 1.135 -9.347 12.970 93 HG3 GLN 13 HG1 GLN 13 1.961 -10.151 14.303 94 HE21 GLN 13 HE21 GLN 13 2.785 -9.930 11.553 95 HE22 GLN 13 HE22 GLN 13 2.944 -11.543 10.949 96 H ARG 14 HN ARG 14 -1.219 -10.601 17.371 97 HA ARG 14 HA ARG 14 -3.914 -11.402 16.713 98 HB2 ARG 14 HB2 ARG 14 -2.658 -12.728 18.350 99 HB3 ARG 14 HB1 ARG 14 -2.541 -11.332 19.417 100 HG2 ARG 14 HG2 ARG 14 -4.991 -11.314 19.616 101 HG3 ARG 14 HG1 ARG 14 -5.060 -12.765 18.616 102 HD2 ARG 14 HD2 ARG 14 -3.779 -13.992 20.266 103 HD3 ARG 14 HD1 ARG 14 -3.606 -12.535 21.244 104 HE ARG 14 HE ARG 14 -6.323 -12.939 20.861 105 HH11 ARG 14 HH11 ARG 14 -3.663 -14.622 22.399 106 HH12 ARG 14 HH12 ARG 14 -4.654 -15.344 23.619 107 HH21 ARG 14 HH21 ARG 14 -7.636 -13.859 22.475 108 HH22 ARG 14 HH22 ARG 14 -6.938 -14.897 23.675 109 H LEU 15 HN LEU 15 -2.437 -8.902 18.730 110 HA LEU 15 HA LEU 15 -4.804 -7.703 19.648 111 HB2 LEU 15 HB2 LEU 15 -2.599 -7.227 20.606 112 HB3 LEU 15 HB1 LEU 15 -2.098 -6.467 19.111 113 HG LEU 15 HG LEU 15 -3.856 -4.732 19.473 114 HD11 LEU 15 HD11 LEU 15 -4.101 -6.052 22.171 115 HD12 LEU 15 HD12 LEU 15 -5.343 -5.991 20.919 116 HD13 LEU 15 HD13 LEU 15 -4.816 -4.507 21.711 117 HD21 LEU 15 HD21 LEU 15 -1.804 -5.030 21.660 118 HD22 LEU 15 HD22 LEU 15 -2.613 -3.534 21.192 119 HD23 LEU 15 HD23 LEU 15 -1.524 -4.339 20.062 120 H LYS 16 HN LYS 16 -2.815 -7.101 16.818 121 HA LYS 16 HA LYS 16 -4.525 -5.029 15.792 122 HB2 LYS 16 HB2 LYS 16 -2.308 -6.571 14.431 123 HB3 LYS 16 HB1 LYS 16 -3.057 -5.099 13.837 124 HG2 LYS 16 HG2 LYS 16 -2.131 -3.821 15.635 125 HG3 LYS 16 HG1 LYS 16 -1.542 -5.281 16.431 126 HD2 LYS 16 HD2 LYS 16 0.284 -4.152 15.278 127 HD3 LYS 16 HD1 LYS 16 -0.049 -5.708 14.519 128 HE2 LYS 16 HE2 LYS 16 -1.389 -4.537 12.801 129 HE3 LYS 16 HE1 LYS 16 -0.951 -3.001 13.541 130 HZ1 LYS 16 HZ1 LYS 16 1.397 -3.518 13.073 131 HZ2 LYS 16 HZ2 LYS 16 0.462 -3.463 11.667 132 HZ3 LYS 16 HZ3 LYS 16 0.919 -4.952 12.313 133 H ASN 17 HN ASN 17 -4.678 -8.403 15.847 134 HA ASN 17 HA ASN 17 -5.610 -10.040 14.616 135 HB2 ASN 17 HB2 ASN 17 -7.615 -8.835 15.489 136 HB3 ASN 17 HB1 ASN 17 -7.677 -7.918 13.987 137 HD21 ASN 17 HD21 ASN 17 -9.671 -8.699 13.383 138 HD22 ASN 17 HD22 ASN 17 -9.932 -10.333 12.890 139 H GLU 18 HN GLU 18 -3.650 -9.560 13.206 140 HA GLU 18 HA GLU 18 -4.301 -8.443 10.630 141 HB2 GLU 18 HB2 GLU 18 -1.717 -9.619 11.691 142 HB3 GLU 18 HB1 GLU 18 -1.909 -9.001 10.053 143 HG2 GLU 18 HG2 GLU 18 -2.179 -7.474 12.628 144 HG3 GLU 18 HG1 GLU 18 -0.842 -7.386 11.483 145 H ARG 19 HN ARG 19 -2.573 -11.551 11.213 146 HA ARG 19 HA ARG 19 -2.630 -13.494 10.110 147 HB2 ARG 19 HB2 ARG 19 -4.759 -13.519 11.500 148 HB3 ARG 19 HB1 ARG 19 -5.619 -13.148 10.010 149 HG2 ARG 19 HG2 ARG 19 -4.872 -15.186 8.999 150 HG3 ARG 19 HG1 ARG 19 -3.822 -15.531 10.370 151 HD2 ARG 19 HD2 ARG 19 -5.845 -15.616 11.804 152 HD3 ARG 19 HD1 ARG 19 -6.827 -15.461 10.345 153 HE ARG 19 HE ARG 19 -5.543 -17.548 9.618 154 HH11 ARG 19 HH11 ARG 19 -6.502 -16.843 12.916 155 HH12 ARG 19 HH12 ARG 19 -6.487 -18.497 13.410 156 HH21 ARG 19 HH21 ARG 19 -5.534 -19.730 10.250 157 HH22 ARG 19 HH22 ARG 19 -5.922 -20.159 11.881 158 H HIS 20 HN HIS 20 -2.318 -11.164 8.439 159 HA HIS 20 HA HIS 20 -3.284 -12.362 5.938 160 HB2 HIS 20 HB2 HIS 20 -3.093 -9.438 6.641 161 HB3 HIS 20 HB1 HIS 20 -3.156 -9.996 4.973 162 HD2 HIS 20 HD2 HIS 20 -5.544 -8.870 7.605 163 HE1 HIS 20 HE1 HIS 20 -7.804 -11.437 5.102 164 HE2 HIS 20 HE2 HIS 20 -7.853 -9.906 7.090 165 H GLU 21 HN GLU 21 -0.682 -11.910 7.783 166 HA GLU 21 HA GLU 21 1.211 -10.926 5.893 167 HB2 GLU 21 HB2 GLU 21 1.616 -10.777 8.336 168 HB3 GLU 21 HB1 GLU 21 1.740 -12.531 8.412 169 HG2 GLU 21 HG2 GLU 21 3.706 -12.487 7.018 170 HG3 GLU 21 HG1 GLU 21 3.554 -10.743 6.813 171 H GLU 22 HN GLU 22 -0.071 -14.062 6.682 172 HA GLU 22 HA GLU 22 1.914 -15.567 5.302 173 HB2 GLU 22 HB2 GLU 22 0.128 -17.380 5.264 174 HB3 GLU 22 HB1 GLU 22 0.613 -16.805 6.850 175 HG2 GLU 22 HG2 GLU 22 -1.764 -15.570 5.545 176 HG3 GLU 22 HG1 GLU 22 -1.912 -17.183 6.239 177 H ALA 23 HN ALA 23 -1.099 -14.037 4.374 178 HA ALA 23 HA ALA 23 -1.152 -15.058 1.723 179 HB1 ALA 23 HB1 ALA 23 -3.171 -14.116 2.795 180 HB2 ALA 23 HB2 ALA 23 -2.809 -13.330 1.264 181 HB3 ALA 23 HB3 ALA 23 -2.424 -12.514 2.773 182 H GLU 24 HN GLU 24 0.065 -12.061 3.165 183 HA GLU 24 HA GLU 24 0.998 -10.925 0.755 184 HB2 GLU 24 HB2 GLU 24 2.015 -10.480 3.567 185 HB3 GLU 24 HB1 GLU 24 2.336 -9.447 2.183 186 HG2 GLU 24 HG2 GLU 24 -0.142 -9.075 2.015 187 HG3 GLU 24 HG1 GLU 24 -0.291 -9.905 3.565 188 H LEU 25 HN LEU 25 2.334 -13.213 3.002 189 HA LEU 25 HA LEU 25 5.009 -13.230 2.242 190 HB2 LEU 25 HB2 LEU 25 3.992 -14.460 4.164 191 HB3 LEU 25 HB1 LEU 25 3.323 -15.610 3.026 192 HG LEU 25 HG LEU 25 5.649 -16.198 2.346 193 HD11 LEU 25 HD11 LEU 25 7.483 -15.540 3.840 194 HD12 LEU 25 HD12 LEU 25 6.384 -14.459 4.696 195 HD13 LEU 25 HD13 LEU 25 6.779 -14.158 3.005 196 HD21 LEU 25 HD21 LEU 25 6.128 -17.520 4.349 197 HD22 LEU 25 HD22 LEU 25 4.413 -17.562 3.940 198 HD23 LEU 25 HD23 LEU 25 4.978 -16.546 5.265 199 H GLU 26 HN GLU 26 2.243 -14.987 0.899 200 HA GLU 26 HA GLU 26 3.647 -16.417 -1.085 201 HB2 GLU 26 HB2 GLU 26 0.773 -15.501 -0.978 202 HB3 GLU 26 HB1 GLU 26 1.407 -16.530 -2.251 203 HG2 GLU 26 HG2 GLU 26 1.243 -17.191 0.683 204 HG3 GLU 26 HG1 GLU 26 0.263 -17.860 -0.616 205 H ARG 27 HN ARG 27 2.197 -13.242 -1.037 206 HA ARG 27 HA ARG 27 2.520 -12.601 -3.774 207 HB2 ARG 27 HB2 ARG 27 1.096 -11.268 -2.225 208 HB3 ARG 27 HB1 ARG 27 2.545 -10.704 -1.400 209 HG2 ARG 27 HG2 ARG 27 3.264 -9.560 -3.412 210 HG3 ARG 27 HG1 ARG 27 1.853 -10.168 -4.279 211 HD2 ARG 27 HD2 ARG 27 1.405 -7.913 -3.590 212 HD3 ARG 27 HD1 ARG 27 0.407 -9.001 -2.628 213 HE ARG 27 HE ARG 27 2.928 -7.851 -1.607 214 HH11 ARG 27 HH11 ARG 27 -0.465 -8.650 -1.166 215 HH12 ARG 27 HH12 ARG 27 -0.551 -7.961 0.417 216 HH21 ARG 27 HH21 ARG 27 2.818 -6.956 0.498 217 HH22 ARG 27 HH22 ARG 27 1.328 -7.004 1.390 218 H LEU 28 HN LEU 28 4.604 -12.220 -0.971 219 HA LEU 28 HA LEU 28 6.720 -10.869 -2.255 220 HB2 LEU 28 HB2 LEU 28 6.804 -12.684 0.159 221 HB3 LEU 28 HB1 LEU 28 8.070 -11.585 -0.340 222 HG LEU 28 HG LEU 28 5.312 -10.746 0.543 223 HD11 LEU 28 HD11 LEU 28 6.592 -11.698 2.382 224 HD12 LEU 28 HD12 LEU 28 6.423 -9.953 2.566 225 HD13 LEU 28 HD13 LEU 28 7.947 -10.636 2.003 226 HD21 LEU 28 HD21 LEU 28 6.290 -8.498 0.599 227 HD22 LEU 28 HD22 LEU 28 6.304 -9.179 -1.028 228 HD23 LEU 28 HD23 LEU 28 7.788 -9.138 -0.075 229 H LYS 29 HN LYS 29 6.169 -14.320 -1.582 230 HA LYS 29 HA LYS 29 8.572 -15.309 -2.680 231 HB2 LYS 29 HB2 LYS 29 5.903 -16.732 -2.711 232 HB3 LYS 29 HB1 LYS 29 7.492 -17.468 -2.781 233 HG2 LYS 29 HG2 LYS 29 6.306 -16.019 -0.426 234 HG3 LYS 29 HG1 LYS 29 6.468 -17.763 -0.605 235 HD2 LYS 29 HD2 LYS 29 8.929 -17.467 -0.721 236 HD3 LYS 29 HD1 LYS 29 8.701 -15.743 -0.409 237 HE2 LYS 29 HE2 LYS 29 7.506 -16.357 1.693 238 HE3 LYS 29 HE1 LYS 29 7.956 -18.035 1.402 239 HZ1 LYS 29 HZ1 LYS 29 9.796 -15.749 1.850 240 HZ2 LYS 29 HZ2 LYS 29 10.295 -17.319 1.458 241 HZ3 LYS 29 HZ3 LYS 29 9.489 -17.028 2.914 242 H SER 30 HN SER 30 5.571 -14.352 -4.108 243 HA SER 30 HA SER 30 6.075 -15.593 -6.642 244 HB2 SER 30 HB2 SER 30 3.760 -15.181 -5.749 245 HB3 SER 30 HB1 SER 30 4.013 -13.458 -6.027 246 HG SER 30 HG SER 30 3.480 -15.489 -7.794 247 H GLU 31 HN GLU 31 6.369 -12.317 -5.329 248 HA GLU 31 HA GLU 31 7.053 -11.208 -7.882 249 HB2 GLU 31 HB2 GLU 31 5.896 -9.886 -6.138 250 HB3 GLU 31 HB1 GLU 31 7.351 -9.955 -5.152 251 HG2 GLU 31 HG2 GLU 31 8.577 -8.659 -6.718 252 HG3 GLU 31 HG1 GLU 31 7.291 -8.774 -7.915 253 H ARG 32 HN ARG 32 8.944 -11.588 -4.850 254 HA ARG 32 HA ARG 32 11.270 -12.366 -6.307 255 HB2 ARG 32 HB2 ARG 32 11.353 -9.960 -6.774 256 HB3 ARG 32 HB1 ARG 32 11.255 -9.611 -5.056 257 HG2 ARG 32 HG2 ARG 32 13.417 -10.705 -4.712 258 HG3 ARG 32 HG1 ARG 32 13.510 -11.048 -6.440 259 HD2 ARG 32 HD2 ARG 32 13.314 -8.285 -5.243 260 HD3 ARG 32 HD1 ARG 32 14.818 -9.053 -5.747 261 HE ARG 32 HE ARG 32 13.188 -9.167 -7.946 262 HH11 ARG 32 HH11 ARG 32 14.455 -6.617 -5.901 263 HH12 ARG 32 HH12 ARG 32 14.477 -5.437 -7.163 264 HH21 ARG 32 HH21 ARG 32 13.238 -7.596 -9.636 265 HH22 ARG 32 HH22 ARG 32 13.783 -5.993 -9.287 266 H HIS 33 HN HIS 33 12.246 -13.779 -5.023 267 HA HIS 33 HA HIS 33 11.537 -14.173 -2.332 268 HB2 HIS 33 HB2 HIS 33 13.820 -15.237 -3.980 269 HB3 HIS 33 HB1 HIS 33 13.594 -15.693 -2.296 270 HD2 HIS 33 HD2 HIS 33 11.607 -17.557 -1.834 271 HE1 HIS 33 HE1 HIS 33 10.335 -17.924 -5.862 272 HE2 HIS 33 HE2 HIS 33 10.029 -18.743 -3.502 273 H ASP 34 HN ASP 34 14.200 -12.422 -3.765 274 HA ASP 34 HA ASP 34 15.670 -11.980 -1.387 275 HB2 ASP 34 HB2 ASP 34 16.752 -11.511 -3.489 276 HB3 ASP 34 HB1 ASP 34 15.521 -10.322 -3.919 277 H HIS 35 HN HIS 35 13.139 -10.100 -2.950 278 HA HIS 35 HA HIS 35 13.097 -8.016 -1.009 279 HB2 HIS 35 HB2 HIS 35 12.107 -7.583 -3.195 280 HB3 HIS 35 HB1 HIS 35 10.947 -8.891 -2.972 281 HD2 HIS 35 HD2 HIS 35 11.680 -5.471 -1.085 282 HE1 HIS 35 HE1 HIS 35 7.521 -6.276 -1.086 283 HE2 HIS 35 HE2 HIS 35 9.306 -4.593 -0.555 284 H ASP 36 HN ASP 36 11.452 -11.062 -1.365 285 HA ASP 36 HA ASP 36 9.560 -10.980 0.650 286 HB2 ASP 36 HB2 ASP 36 9.557 -12.957 -0.639 287 HB3 ASP 36 HB1 ASP 36 11.276 -13.234 -0.402 288 H LYS 37 HN LYS 37 12.923 -11.979 0.963 289 HA LYS 37 HA LYS 37 12.884 -12.382 3.752 290 HB2 LYS 37 HB2 LYS 37 14.658 -13.269 2.267 291 HB3 LYS 37 HB1 LYS 37 15.252 -11.633 2.012 292 HG2 LYS 37 HG2 LYS 37 15.891 -11.453 4.310 293 HG3 LYS 37 HG1 LYS 37 15.141 -13.004 4.682 294 HD2 LYS 37 HD2 LYS 37 17.466 -12.589 2.800 295 HD3 LYS 37 HD1 LYS 37 17.589 -13.187 4.454 296 HE2 LYS 37 HE2 LYS 37 16.183 -14.521 2.137 297 HE3 LYS 37 HE1 LYS 37 17.664 -15.053 2.927 298 HZ1 LYS 37 HZ1 LYS 37 14.992 -14.904 4.219 299 HZ2 LYS 37 HZ2 LYS 37 16.411 -15.458 4.948 300 HZ3 LYS 37 HZ3 LYS 37 15.729 -16.314 3.660 301 H LYS 38 HN LYS 38 13.552 -9.578 1.801 302 HA LYS 38 HA LYS 38 14.496 -7.898 3.881 303 HB2 LYS 38 HB2 LYS 38 14.871 -7.421 1.472 304 HB3 LYS 38 HB1 LYS 38 13.156 -7.081 1.284 305 HG2 LYS 38 HG2 LYS 38 14.294 -5.015 1.426 306 HG3 LYS 38 HG1 LYS 38 13.429 -5.240 2.946 307 HD2 LYS 38 HD2 LYS 38 15.475 -5.955 4.038 308 HD3 LYS 38 HD1 LYS 38 16.354 -5.849 2.512 309 HE2 LYS 38 HE2 LYS 38 15.027 -3.542 3.931 310 HE3 LYS 38 HE1 LYS 38 16.751 -3.899 3.960 311 HZ1 LYS 38 HZ1 LYS 38 16.817 -3.564 1.564 312 HZ2 LYS 38 HZ2 LYS 38 16.231 -2.191 2.344 313 HZ3 LYS 38 HZ3 LYS 38 15.162 -3.222 1.541 314 H GLU 39 HN GLU 39 11.291 -8.312 2.428 315 HA GLU 39 HA GLU 39 10.074 -6.274 4.039 316 HB2 GLU 39 HB2 GLU 39 9.151 -6.813 1.839 317 HB3 GLU 39 HB1 GLU 39 8.783 -8.448 2.372 318 HG2 GLU 39 HG2 GLU 39 6.762 -7.244 2.421 319 HG3 GLU 39 HG1 GLU 39 7.270 -7.442 4.096 320 H ALA 40 HN ALA 40 10.038 -9.821 4.132 321 HA ALA 40 HA ALA 40 8.163 -10.171 6.150 322 HB1 ALA 40 HB1 ALA 40 9.152 -12.361 6.573 323 HB2 ALA 40 HB2 ALA 40 10.597 -11.903 5.678 324 HB3 ALA 40 HB3 ALA 40 9.046 -12.052 4.842 325 H GLU 41 HN GLU 41 11.604 -9.485 6.493 326 HA GLU 41 HA GLU 41 11.352 -9.636 9.375 327 HB2 GLU 41 HB2 GLU 41 13.747 -8.883 7.697 328 HB3 GLU 41 HB1 GLU 41 13.752 -9.163 9.435 329 HG2 GLU 41 HG2 GLU 41 12.887 -11.488 8.919 330 HG3 GLU 41 HG1 GLU 41 13.293 -11.152 7.239 331 H ARG 42 HN ARG 42 11.600 -7.206 6.878 332 HA ARG 42 HA ARG 42 12.108 -4.971 8.545 333 HB2 ARG 42 HB2 ARG 42 12.372 -4.849 6.089 334 HB3 ARG 42 HB1 ARG 42 10.631 -5.015 5.893 335 HG2 ARG 42 HG2 ARG 42 10.337 -2.895 7.130 336 HG3 ARG 42 HG1 ARG 42 12.092 -2.723 7.180 337 HD2 ARG 42 HD2 ARG 42 11.264 -1.414 5.354 338 HD3 ARG 42 HD1 ARG 42 12.109 -2.810 4.691 339 HE ARG 42 HE ARG 42 9.576 -3.692 4.714 340 HH11 ARG 42 HH11 ARG 42 10.932 -0.654 3.579 341 HH12 ARG 42 HH12 ARG 42 9.708 -0.417 2.380 342 HH21 ARG 42 HH21 ARG 42 7.969 -3.371 3.132 343 HH22 ARG 42 HH22 ARG 42 8.015 -1.963 2.123 344 H LYS 43 HN LYS 43 9.109 -6.381 7.349 345 HA LYS 43 HA LYS 43 7.330 -4.480 8.372 346 HB2 LYS 43 HB2 LYS 43 6.671 -6.237 6.762 347 HB3 LYS 43 HB1 LYS 43 6.820 -7.448 8.027 348 HG2 LYS 43 HG2 LYS 43 4.976 -6.500 9.232 349 HG3 LYS 43 HG1 LYS 43 4.895 -5.135 8.115 350 HD2 LYS 43 HD2 LYS 43 4.482 -8.017 7.309 351 HD3 LYS 43 HD1 LYS 43 3.172 -6.900 7.698 352 HE2 LYS 43 HE2 LYS 43 3.812 -5.454 5.865 353 HE3 LYS 43 HE1 LYS 43 5.221 -6.451 5.521 354 HZ1 LYS 43 HZ1 LYS 43 3.407 -6.903 3.998 355 HZ2 LYS 43 HZ2 LYS 43 2.385 -7.337 5.271 356 HZ3 LYS 43 HZ3 LYS 43 3.754 -8.265 4.930 357 H ALA 44 HN ALA 44 8.433 -7.492 9.886 358 HA ALA 44 HA ALA 44 6.976 -7.096 12.302 359 HB1 ALA 44 HB1 ALA 44 8.307 -8.905 13.235 360 HB2 ALA 44 HB2 ALA 44 9.436 -8.810 11.889 361 HB3 ALA 44 HB3 ALA 44 7.769 -9.325 11.611 362 H LEU 45 HN LEU 45 10.304 -6.400 11.369 363 HA LEU 45 HA LEU 45 11.215 -5.587 13.916 364 HB2 LEU 45 HB2 LEU 45 12.695 -6.229 12.054 365 HB3 LEU 45 HB1 LEU 45 12.206 -4.798 11.174 366 HG LEU 45 HG LEU 45 13.218 -3.424 13.023 367 HD11 LEU 45 HD11 LEU 45 13.192 -5.115 14.770 368 HD12 LEU 45 HD12 LEU 45 14.828 -4.519 14.490 369 HD13 LEU 45 HD13 LEU 45 14.340 -6.091 13.857 370 HD21 LEU 45 HD21 LEU 45 14.373 -3.784 10.913 371 HD22 LEU 45 HD22 LEU 45 15.034 -5.304 11.517 372 HD23 LEU 45 HD23 LEU 45 15.519 -3.778 12.253 373 H GLU 46 HN GLU 46 9.631 -3.871 11.319 374 HA GLU 46 HA GLU 46 10.070 -1.286 12.572 375 HB2 GLU 46 HB2 GLU 46 9.922 -1.916 9.976 376 HB3 GLU 46 HB1 GLU 46 8.210 -1.634 10.248 377 HG2 GLU 46 HG2 GLU 46 10.400 0.352 10.809 378 HG3 GLU 46 HG1 GLU 46 9.428 0.305 9.341 379 H ASP 47 HN ASP 47 7.590 -3.680 12.315 380 HA ASP 47 HA ASP 47 5.385 -2.034 13.047 381 HB2 ASP 47 HB2 ASP 47 5.046 -4.266 12.010 382 HB3 ASP 47 HB1 ASP 47 5.592 -5.020 13.509 383 H LYS 48 HN LYS 48 7.526 -4.074 14.993 384 HA LYS 48 HA LYS 48 6.217 -2.987 17.347 385 HB2 LYS 48 HB2 LYS 48 7.380 -4.716 18.631 386 HB3 LYS 48 HB1 LYS 48 6.535 -5.406 17.257 387 HG2 LYS 48 HG2 LYS 48 8.738 -5.377 16.032 388 HG3 LYS 48 HG1 LYS 48 9.484 -4.969 17.581 389 HD2 LYS 48 HD2 LYS 48 8.484 -7.018 18.550 390 HD3 LYS 48 HD1 LYS 48 7.872 -7.437 16.951 391 HE2 LYS 48 HE2 LYS 48 9.896 -8.660 17.309 392 HE3 LYS 48 HE1 LYS 48 10.218 -7.405 16.115 393 HZ1 LYS 48 HZ1 LYS 48 11.951 -7.666 17.858 394 HZ2 LYS 48 HZ2 LYS 48 10.834 -7.119 19.001 395 HZ3 LYS 48 HZ3 LYS 48 11.325 -6.096 17.746 396 H LEU 49 HN LEU 49 7.802 -2.351 19.284 397 HA LEU 49 HA LEU 49 10.151 -1.007 18.163 398 HB2 LEU 49 HB2 LEU 49 9.783 0.824 19.767 399 HB3 LEU 49 HB1 LEU 49 8.487 0.680 18.600 400 HG LEU 49 HG LEU 49 8.000 -0.737 21.138 401 HD11 LEU 49 HD11 LEU 49 7.477 1.310 22.371 402 HD12 LEU 49 HD12 LEU 49 8.137 2.276 21.051 403 HD13 LEU 49 HD13 LEU 49 9.197 1.219 21.983 404 HD21 LEU 49 HD21 LEU 49 6.317 -0.447 19.324 405 HD22 LEU 49 HD22 LEU 49 6.389 1.292 19.586 406 HD23 LEU 49 HD23 LEU 49 5.802 0.234 20.865 407 H ALA 50 HN ALA 50 9.295 -3.492 19.939 408 HA ALA 50 HA ALA 50 11.104 -3.036 22.176 409 HB1 ALA 50 HB1 ALA 50 10.235 -5.184 23.012 410 HB2 ALA 50 HB2 ALA 50 9.246 -5.337 21.560 411 HB3 ALA 50 HB3 ALA 50 8.943 -4.027 22.700 412 H ASP 51 HN ASP 51 12.711 -4.696 22.662 413 HA ASP 51 HA ASP 51 14.182 -5.399 20.287 414 HB2 ASP 51 HB2 ASP 51 14.786 -5.945 23.203 415 HB3 ASP 51 HB1 ASP 51 15.888 -6.258 21.868 416 H TYR 52 HN TYR 52 15.084 -7.575 19.997 417 HA TYR 52 HA TYR 52 14.837 -9.773 19.537 418 HB2 TYR 52 HB2 TYR 52 13.253 -9.878 22.115 419 HB3 TYR 52 HB1 TYR 52 13.944 -11.253 21.271 420 HD1 TYR 52 HD1 TYR 52 14.463 -8.774 23.762 421 HD2 TYR 52 HD2 TYR 52 16.514 -11.286 21.013 422 HE1 TYR 52 HE1 TYR 52 16.521 -8.522 25.078 423 HE2 TYR 52 HE2 TYR 52 18.580 -11.042 22.327 424 HH TYR 52 HH TYR 52 18.625 -9.801 25.452 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 -19.605 -21.212 29.249 2 H2 GLY 1 HT2 GLY 1 -18.349 -20.558 30.172 3 H3 GLY 1 HT3 GLY 1 -18.905 -22.117 30.491 4 HA2 GLY 1 HA1 GLY 1 -16.827 -22.233 29.337 5 HA3 GLY 1 HA2 GLY 1 -18.130 -22.878 28.352 6 H SER 2 HN SER 2 -19.106 -20.035 27.877 7 HA SER 2 HA SER 2 -17.962 -19.687 25.367 8 HB2 SER 2 HB2 SER 2 -19.342 -17.590 27.034 9 HB3 SER 2 HB1 SER 2 -19.179 -17.605 25.280 10 HG SER 2 HG SER 2 -20.411 -19.563 25.293 11 H VAL 3 HN VAL 3 -17.501 -17.570 28.214 12 HA VAL 3 HA VAL 3 -15.622 -15.880 27.098 13 HB VAL 3 HB VAL 3 -16.910 -15.458 29.171 14 HG11 VAL 3 HG11 VAL 3 -14.910 -17.301 30.459 15 HG12 VAL 3 HG12 VAL 3 -16.642 -17.581 30.282 16 HG13 VAL 3 HG13 VAL 3 -16.060 -16.280 31.321 17 HG21 VAL 3 HG21 VAL 3 -15.036 -14.012 28.615 18 HG22 VAL 3 HG22 VAL 3 -13.926 -15.101 29.447 19 HG23 VAL 3 HG23 VAL 3 -15.151 -14.222 30.363 20 H GLU 4 HN GLU 4 -15.052 -19.122 27.878 21 HA GLU 4 HA GLU 4 -12.172 -18.558 28.087 22 HB2 GLU 4 HB2 GLU 4 -11.928 -20.634 29.448 23 HB3 GLU 4 HB1 GLU 4 -12.818 -19.339 30.232 24 HG2 GLU 4 HG2 GLU 4 -14.908 -20.450 29.756 25 HG3 GLU 4 HG1 GLU 4 -14.059 -21.714 28.872 26 H LYS 5 HN LYS 5 -14.399 -21.212 27.177 27 HA LYS 5 HA LYS 5 -12.329 -22.531 25.691 28 HB2 LYS 5 HB2 LYS 5 -15.299 -23.077 25.771 29 HB3 LYS 5 HB1 LYS 5 -14.089 -24.124 25.043 30 HG2 LYS 5 HG2 LYS 5 -13.034 -24.376 27.266 31 HG3 LYS 5 HG1 LYS 5 -14.348 -23.426 27.958 32 HD2 LYS 5 HD2 LYS 5 -15.958 -25.091 27.120 33 HD3 LYS 5 HD1 LYS 5 -14.613 -26.055 26.507 34 HE2 LYS 5 HE2 LYS 5 -13.720 -26.177 28.815 35 HE3 LYS 5 HE1 LYS 5 -15.161 -25.336 29.381 36 HZ1 LYS 5 HZ1 LYS 5 -15.114 -27.965 28.007 37 HZ2 LYS 5 HZ2 LYS 5 -16.503 -27.164 28.544 38 HZ3 LYS 5 HZ3 LYS 5 -15.361 -27.713 29.658 39 H LEU 6 HN LEU 6 -15.157 -20.604 24.874 40 HA LEU 6 HA LEU 6 -14.770 -20.991 22.057 41 HB2 LEU 6 HB2 LEU 6 -16.619 -19.195 23.626 42 HB3 LEU 6 HB1 LEU 6 -16.437 -19.018 21.899 43 HG LEU 6 HG LEU 6 -18.421 -20.325 22.438 44 HD11 LEU 6 HD11 LEU 6 -16.284 -22.016 21.160 45 HD12 LEU 6 HD12 LEU 6 -17.234 -20.767 20.356 46 HD13 LEU 6 HD13 LEU 6 -18.027 -22.214 20.977 47 HD21 LEU 6 HD21 LEU 6 -16.509 -22.288 23.702 48 HD22 LEU 6 HD22 LEU 6 -18.217 -22.587 23.388 49 HD23 LEU 6 HD23 LEU 6 -17.739 -21.343 24.538 50 H THR 7 HN THR 7 -13.761 -18.624 24.414 51 HA THR 7 HA THR 7 -12.842 -16.737 22.472 52 HB THR 7 HB THR 7 -11.959 -16.890 25.356 53 HG1 THR 7 HG1 THR 7 -13.824 -15.924 25.931 54 HG21 THR 7 HG21 THR 7 -11.834 -14.443 25.124 55 HG22 THR 7 HG22 THR 7 -12.366 -14.576 23.449 56 HG23 THR 7 HG23 THR 7 -10.810 -15.249 23.936 57 H ALA 8 HN ALA 8 -11.659 -19.678 23.669 58 HA ALA 8 HA ALA 8 -8.894 -19.239 23.790 59 HB1 ALA 8 HB1 ALA 8 -8.606 -21.649 23.466 60 HB2 ALA 8 HB2 ALA 8 -10.289 -21.809 22.980 61 HB3 ALA 8 HB3 ALA 8 -9.885 -21.315 24.625 62 H ASP 9 HN ASP 9 -10.807 -20.417 21.019 63 HA ASP 9 HA ASP 9 -8.564 -20.224 19.230 64 HB2 ASP 9 HB2 ASP 9 -11.513 -20.647 18.688 65 HB3 ASP 9 HB1 ASP 9 -10.284 -20.623 17.437 66 H ALA 10 HN ALA 10 -10.978 -18.157 20.325 67 HA ALA 10 HA ALA 10 -11.085 -16.313 18.147 68 HB1 ALA 10 HB1 ALA 10 -11.774 -15.739 21.036 69 HB2 ALA 10 HB2 ALA 10 -12.884 -16.422 19.845 70 HB3 ALA 10 HB3 ALA 10 -12.254 -14.794 19.630 71 H GLU 11 HN GLU 11 -9.517 -16.036 21.324 72 HA GLU 11 HA GLU 11 -8.034 -13.690 20.721 73 HB2 GLU 11 HB2 GLU 11 -8.319 -14.506 23.048 74 HB3 GLU 11 HB1 GLU 11 -7.325 -15.910 22.678 75 HG2 GLU 11 HG2 GLU 11 -6.008 -14.335 23.881 76 HG3 GLU 11 HG1 GLU 11 -5.435 -14.385 22.215 77 H LEU 12 HN LEU 12 -7.368 -17.091 20.431 78 HA LEU 12 HA LEU 12 -4.764 -17.169 19.554 79 HB2 LEU 12 HB2 LEU 12 -6.048 -19.156 20.069 80 HB3 LEU 12 HB1 LEU 12 -7.174 -18.820 18.773 81 HG LEU 12 HG LEU 12 -4.315 -19.420 18.125 82 HD11 LEU 12 HD11 LEU 12 -4.994 -21.148 19.684 83 HD12 LEU 12 HD12 LEU 12 -4.992 -21.807 18.044 84 HD13 LEU 12 HD13 LEU 12 -6.516 -21.354 18.821 85 HD21 LEU 12 HD21 LEU 12 -5.813 -18.692 16.336 86 HD22 LEU 12 HD22 LEU 12 -6.978 -19.932 16.796 87 HD23 LEU 12 HD23 LEU 12 -5.407 -20.401 16.136 88 H GLN 13 HN GLN 13 -7.665 -16.963 17.494 89 HA GLN 13 HA GLN 13 -6.215 -16.538 15.102 90 HB2 GLN 13 HB2 GLN 13 -9.120 -16.000 15.741 91 HB3 GLN 13 HB1 GLN 13 -8.420 -15.843 14.138 92 HG2 GLN 13 HG2 GLN 13 -7.844 -18.195 14.119 93 HG3 GLN 13 HG1 GLN 13 -8.457 -18.378 15.760 94 HE21 GLN 13 HE21 GLN 13 -9.943 -19.932 15.123 95 HE22 GLN 13 HE22 GLN 13 -11.367 -19.533 14.226 96 H ARG 14 HN ARG 14 -7.395 -14.350 17.538 97 HA ARG 14 HA ARG 14 -7.126 -11.987 15.940 98 HB2 ARG 14 HB2 ARG 14 -8.586 -11.978 17.926 99 HB3 ARG 14 HB1 ARG 14 -7.185 -12.226 18.966 100 HG2 ARG 14 HG2 ARG 14 -6.294 -10.078 18.368 101 HG3 ARG 14 HG1 ARG 14 -7.572 -9.836 17.179 102 HD2 ARG 14 HD2 ARG 14 -8.159 -8.573 19.096 103 HD3 ARG 14 HD1 ARG 14 -9.220 -9.976 19.059 104 HE ARG 14 HE ARG 14 -7.359 -10.880 20.715 105 HH11 ARG 14 HH11 ARG 14 -8.731 -7.634 20.545 106 HH12 ARG 14 HH12 ARG 14 -8.637 -7.374 22.253 107 HH21 ARG 14 HH21 ARG 14 -7.238 -10.521 22.996 108 HH22 ARG 14 HH22 ARG 14 -7.794 -9.007 23.645 109 H LEU 15 HN LEU 15 -5.067 -13.604 18.303 110 HA LEU 15 HA LEU 15 -3.011 -11.711 18.431 111 HB2 LEU 15 HB2 LEU 15 -3.237 -13.566 19.999 112 HB3 LEU 15 HB1 LEU 15 -2.868 -14.710 18.725 113 HG LEU 15 HG LEU 15 -0.600 -13.679 18.539 114 HD11 LEU 15 HD11 LEU 15 -1.092 -11.496 19.476 115 HD12 LEU 15 HD12 LEU 15 0.189 -12.289 20.391 116 HD13 LEU 15 HD13 LEU 15 -1.451 -12.230 21.041 117 HD21 LEU 15 HD21 LEU 15 -0.976 -15.731 19.798 118 HD22 LEU 15 HD22 LEU 15 -1.352 -14.784 21.238 119 HD23 LEU 15 HD23 LEU 15 0.271 -14.739 20.554 120 H LYS 16 HN LYS 16 -3.499 -14.406 16.211 121 HA LYS 16 HA LYS 16 -1.053 -13.779 14.801 122 HB2 LYS 16 HB2 LYS 16 -1.622 -15.663 13.340 123 HB3 LYS 16 HB1 LYS 16 -1.679 -16.113 15.035 124 HG2 LYS 16 HG2 LYS 16 -4.108 -15.984 15.011 125 HG3 LYS 16 HG1 LYS 16 -4.073 -15.474 13.321 126 HD2 LYS 16 HD2 LYS 16 -4.582 -17.851 13.483 127 HD3 LYS 16 HD1 LYS 16 -3.013 -17.611 12.714 128 HE2 LYS 16 HE2 LYS 16 -1.919 -18.060 14.886 129 HE3 LYS 16 HE1 LYS 16 -3.502 -18.368 15.594 130 HZ1 LYS 16 HZ1 LYS 16 -3.772 -20.189 13.976 131 HZ2 LYS 16 HZ2 LYS 16 -2.468 -20.425 15.020 132 HZ3 LYS 16 HZ3 LYS 16 -2.190 -19.922 13.433 133 H ASN 17 HN ASN 17 -4.183 -12.630 14.771 134 HA ASN 17 HA ASN 17 -5.449 -11.349 13.380 135 HB2 ASN 17 HB2 ASN 17 -3.218 -10.082 13.263 136 HB3 ASN 17 HB1 ASN 17 -2.949 -10.897 11.726 137 HD21 ASN 17 HD21 ASN 17 -3.046 -9.123 10.409 138 HD22 ASN 17 HD22 ASN 17 -4.463 -8.160 10.207 139 H GLU 18 HN GLU 18 -5.527 -14.107 12.928 140 HA GLU 18 HA GLU 18 -5.937 -15.730 11.558 141 HB2 GLU 18 HB2 GLU 18 -6.869 -13.486 9.748 142 HB3 GLU 18 HB1 GLU 18 -7.315 -15.176 9.556 143 HG2 GLU 18 HG2 GLU 18 -8.327 -15.121 11.818 144 HG3 GLU 18 HG1 GLU 18 -7.978 -13.397 11.889 145 H ARG 19 HN ARG 19 -5.515 -16.693 9.142 146 HA ARG 19 HA ARG 19 -2.721 -16.376 8.672 147 HB2 ARG 19 HB2 ARG 19 -4.784 -17.993 7.162 148 HB3 ARG 19 HB1 ARG 19 -3.050 -18.076 6.899 149 HG2 ARG 19 HG2 ARG 19 -2.745 -18.797 9.221 150 HG3 ARG 19 HG1 ARG 19 -4.490 -18.781 9.442 151 HD2 ARG 19 HD2 ARG 19 -4.694 -20.460 7.645 152 HD3 ARG 19 HD1 ARG 19 -2.935 -20.496 7.515 153 HE ARG 19 HE ARG 19 -4.549 -21.508 9.742 154 HH11 ARG 19 HH11 ARG 19 -1.397 -21.120 8.231 155 HH12 ARG 19 HH12 ARG 19 -0.607 -22.238 9.279 156 HH21 ARG 19 HH21 ARG 19 -3.500 -23.007 11.138 157 HH22 ARG 19 HH22 ARG 19 -1.810 -23.313 10.947 158 H HIS 20 HN HIS 20 -4.653 -14.129 8.033 159 HA HIS 20 HA HIS 20 -4.559 -13.692 5.234 160 HB2 HIS 20 HB2 HIS 20 -4.848 -11.719 7.518 161 HB3 HIS 20 HB1 HIS 20 -5.012 -11.299 5.823 162 HD2 HIS 20 HD2 HIS 20 -7.089 -13.411 4.712 163 HE1 HIS 20 HE1 HIS 20 -9.472 -12.459 8.085 164 HE2 HIS 20 HE2 HIS 20 -9.392 -13.628 5.860 165 H GLU 21 HN GLU 21 -2.439 -12.836 7.931 166 HA GLU 21 HA GLU 21 -0.677 -11.136 6.707 167 HB2 GLU 21 HB2 GLU 21 -0.003 -13.254 8.763 168 HB3 GLU 21 HB1 GLU 21 0.918 -11.800 8.421 169 HG2 GLU 21 HG2 GLU 21 -1.881 -11.883 9.518 170 HG3 GLU 21 HG1 GLU 21 -0.412 -11.593 10.449 171 H GLU 22 HN GLU 22 -0.456 -14.687 6.894 172 HA GLU 22 HA GLU 22 1.927 -14.984 5.522 173 HB2 GLU 22 HB2 GLU 22 -0.426 -16.863 5.593 174 HB3 GLU 22 HB1 GLU 22 1.139 -17.271 4.907 175 HG2 GLU 22 HG2 GLU 22 1.380 -18.142 6.985 176 HG3 GLU 22 HG1 GLU 22 2.005 -16.520 7.262 177 H ALA 23 HN ALA 23 -1.306 -14.603 4.202 178 HA ALA 23 HA ALA 23 -0.800 -15.210 1.545 179 HB1 ALA 23 HB1 ALA 23 -2.598 -12.985 2.534 180 HB2 ALA 23 HB2 ALA 23 -3.057 -14.681 2.339 181 HB3 ALA 23 HB3 ALA 23 -2.634 -13.715 0.931 182 H GLU 24 HN GLU 24 -0.300 -12.061 3.144 183 HA GLU 24 HA GLU 24 0.809 -10.891 0.782 184 HB2 GLU 24 HB2 GLU 24 0.716 -9.977 3.645 185 HB3 GLU 24 HB1 GLU 24 1.781 -9.185 2.504 186 HG2 GLU 24 HG2 GLU 24 -0.303 -7.984 2.675 187 HG3 GLU 24 HG1 GLU 24 -0.111 -8.663 1.062 188 H LEU 25 HN LEU 25 2.263 -12.224 3.712 189 HA LEU 25 HA LEU 25 4.936 -11.823 3.028 190 HB2 LEU 25 HB2 LEU 25 3.532 -13.785 4.777 191 HB3 LEU 25 HB1 LEU 25 5.203 -14.107 4.381 192 HG LEU 25 HG LEU 25 5.072 -13.029 6.533 193 HD11 LEU 25 HD11 LEU 25 6.994 -12.500 5.168 194 HD12 LEU 25 HD12 LEU 25 6.546 -11.133 6.185 195 HD13 LEU 25 HD13 LEU 25 6.144 -11.122 4.468 196 HD21 LEU 25 HD21 LEU 25 3.710 -10.710 5.160 197 HD22 LEU 25 HD22 LEU 25 4.203 -10.786 6.850 198 HD23 LEU 25 HD23 LEU 25 2.934 -11.856 6.258 199 H GLU 26 HN GLU 26 2.740 -14.366 2.037 200 HA GLU 26 HA GLU 26 4.582 -16.026 0.695 201 HB2 GLU 26 HB2 GLU 26 2.360 -16.739 1.436 202 HB3 GLU 26 HB1 GLU 26 1.612 -15.629 0.306 203 HG2 GLU 26 HG2 GLU 26 2.442 -16.914 -1.556 204 HG3 GLU 26 HG1 GLU 26 3.314 -17.986 -0.460 205 H ARG 27 HN ARG 27 3.101 -13.045 -0.172 206 HA ARG 27 HA ARG 27 3.020 -13.148 -2.952 207 HB2 ARG 27 HB2 ARG 27 2.188 -11.233 -1.526 208 HB3 ARG 27 HB1 ARG 27 3.857 -10.685 -1.406 209 HG2 ARG 27 HG2 ARG 27 3.824 -10.671 -3.964 210 HG3 ARG 27 HG1 ARG 27 2.074 -10.786 -3.803 211 HD2 ARG 27 HD2 ARG 27 3.845 -8.616 -2.688 212 HD3 ARG 27 HD1 ARG 27 2.745 -8.468 -4.052 213 HE ARG 27 HE ARG 27 2.095 -8.331 -1.263 214 HH11 ARG 27 HH11 ARG 27 0.790 -9.122 -4.428 215 HH12 ARG 27 HH12 ARG 27 -0.831 -8.704 -4.008 216 HH21 ARG 27 HH21 ARG 27 -0.027 -7.741 -0.716 217 HH22 ARG 27 HH22 ARG 27 -1.307 -7.926 -1.877 218 H LEU 28 HN LEU 28 5.851 -13.080 -0.951 219 HA LEU 28 HA LEU 28 7.698 -11.875 -2.706 220 HB2 LEU 28 HB2 LEU 28 9.422 -12.618 -1.362 221 HB3 LEU 28 HB1 LEU 28 8.098 -12.613 -0.226 222 HG LEU 28 HG LEU 28 9.175 -15.064 -1.645 223 HD11 LEU 28 HD11 LEU 28 9.572 -14.129 1.187 224 HD12 LEU 28 HD12 LEU 28 10.792 -14.176 -0.083 225 HD13 LEU 28 HD13 LEU 28 10.099 -15.676 0.529 226 HD21 LEU 28 HD21 LEU 28 6.820 -15.306 -1.064 227 HD22 LEU 28 HD22 LEU 28 7.167 -14.825 0.597 228 HD23 LEU 28 HD23 LEU 28 7.825 -16.332 -0.041 229 H LYS 29 HN LYS 29 6.094 -14.798 -3.064 230 HA LYS 29 HA LYS 29 8.095 -16.189 -4.578 231 HB2 LYS 29 HB2 LYS 29 6.284 -17.419 -3.441 232 HB3 LYS 29 HB1 LYS 29 5.097 -16.641 -4.480 233 HG2 LYS 29 HG2 LYS 29 6.066 -17.739 -6.421 234 HG3 LYS 29 HG1 LYS 29 7.276 -18.503 -5.388 235 HD2 LYS 29 HD2 LYS 29 5.512 -19.658 -4.161 236 HD3 LYS 29 HD1 LYS 29 4.291 -18.878 -5.168 237 HE2 LYS 29 HE2 LYS 29 5.239 -19.976 -7.147 238 HE3 LYS 29 HE1 LYS 29 6.445 -20.759 -6.127 239 HZ1 LYS 29 HZ1 LYS 29 3.507 -21.140 -5.937 240 HZ2 LYS 29 HZ2 LYS 29 4.662 -21.886 -4.957 241 HZ3 LYS 29 HZ3 LYS 29 4.608 -22.237 -6.607 242 H SER 30 HN SER 30 5.096 -14.502 -5.495 243 HA SER 30 HA SER 30 5.891 -14.560 -8.286 244 HB2 SER 30 HB2 SER 30 3.585 -13.404 -8.499 245 HB3 SER 30 HB1 SER 30 3.642 -15.105 -8.029 246 HG SER 30 HG SER 30 2.937 -12.862 -6.538 247 H GLU 31 HN GLU 31 6.259 -12.439 -5.667 248 HA GLU 31 HA GLU 31 6.729 -10.214 -7.514 249 HB2 GLU 31 HB2 GLU 31 4.601 -9.904 -6.231 250 HB3 GLU 31 HB1 GLU 31 5.532 -9.982 -4.748 251 HG2 GLU 31 HG2 GLU 31 4.924 -7.677 -5.471 252 HG3 GLU 31 HG1 GLU 31 6.650 -7.943 -5.230 253 H ARG 32 HN ARG 32 8.208 -8.573 -6.541 254 HA ARG 32 HA ARG 32 10.569 -9.789 -5.608 255 HB2 ARG 32 HB2 ARG 32 9.732 -6.891 -5.712 256 HB3 ARG 32 HB1 ARG 32 11.380 -7.467 -5.488 257 HG2 ARG 32 HG2 ARG 32 11.551 -8.221 -7.671 258 HG3 ARG 32 HG1 ARG 32 9.804 -8.309 -7.879 259 HD2 ARG 32 HD2 ARG 32 11.353 -5.751 -7.546 260 HD3 ARG 32 HD1 ARG 32 10.875 -6.433 -9.101 261 HE ARG 32 HE ARG 32 8.557 -6.277 -7.633 262 HH11 ARG 32 HH11 ARG 32 10.987 -4.038 -8.801 263 HH12 ARG 32 HH12 ARG 32 9.903 -2.694 -8.888 264 HH21 ARG 32 HH21 ARG 32 7.114 -4.493 -7.733 265 HH22 ARG 32 HH22 ARG 32 7.688 -2.955 -8.274 266 H HIS 33 HN HIS 33 11.462 -9.868 -3.590 267 HA HIS 33 HA HIS 33 9.707 -9.811 -1.362 268 HB2 HIS 33 HB2 HIS 33 11.704 -11.303 -1.521 269 HB3 HIS 33 HB1 HIS 33 12.733 -9.889 -1.312 270 HD2 HIS 33 HD2 HIS 33 9.946 -11.718 0.824 271 HE1 HIS 33 HE1 HIS 33 12.762 -9.908 3.423 272 HE2 HIS 33 HE2 HIS 33 10.532 -11.059 3.243 273 H ASP 34 HN ASP 34 11.665 -7.455 -2.864 274 HA ASP 34 HA ASP 34 12.103 -5.645 -0.770 275 HB2 ASP 34 HB2 ASP 34 11.605 -5.062 -3.700 276 HB3 ASP 34 HB1 ASP 34 12.287 -3.930 -2.537 277 H HIS 35 HN HIS 35 9.378 -6.162 -2.885 278 HA HIS 35 HA HIS 35 7.823 -3.969 -1.852 279 HB2 HIS 35 HB2 HIS 35 7.417 -4.804 -4.142 280 HB3 HIS 35 HB1 HIS 35 6.967 -6.381 -3.502 281 HD2 HIS 35 HD2 HIS 35 5.500 -2.734 -3.621 282 HE1 HIS 35 HE1 HIS 35 2.373 -5.474 -2.798 283 HE2 HIS 35 HE2 HIS 35 2.953 -3.124 -3.476 284 H ASP 36 HN ASP 36 7.946 -7.439 -1.430 285 HA ASP 36 HA ASP 36 5.809 -7.861 0.295 286 HB2 ASP 36 HB2 ASP 36 6.884 -9.804 -0.538 287 HB3 ASP 36 HB1 ASP 36 8.461 -9.297 0.055 288 H LYS 37 HN LYS 37 9.191 -7.263 1.243 289 HA LYS 37 HA LYS 37 8.759 -7.284 4.000 290 HB2 LYS 37 HB2 LYS 37 11.024 -7.398 3.217 291 HB3 LYS 37 HB1 LYS 37 10.892 -5.839 2.410 292 HG2 LYS 37 HG2 LYS 37 10.780 -4.694 4.512 293 HG3 LYS 37 HG1 LYS 37 10.700 -6.221 5.388 294 HD2 LYS 37 HD2 LYS 37 13.033 -5.431 3.653 295 HD3 LYS 37 HD1 LYS 37 12.946 -5.070 5.378 296 HE2 LYS 37 HE2 LYS 37 12.592 -7.537 5.754 297 HE3 LYS 37 HE1 LYS 37 12.987 -7.775 4.054 298 HZ1 LYS 37 HZ1 LYS 37 14.910 -8.093 5.473 299 HZ2 LYS 37 HZ2 LYS 37 14.759 -6.527 6.080 300 HZ3 LYS 37 HZ3 LYS 37 15.145 -6.769 4.451 301 H LYS 38 HN LYS 38 8.596 -4.550 1.765 302 HA LYS 38 HA LYS 38 8.214 -2.616 3.808 303 HB2 LYS 38 HB2 LYS 38 7.538 -2.458 0.870 304 HB3 LYS 38 HB1 LYS 38 7.543 -1.099 1.983 305 HG2 LYS 38 HG2 LYS 38 9.944 -1.447 2.374 306 HG3 LYS 38 HG1 LYS 38 9.924 -2.772 1.210 307 HD2 LYS 38 HD2 LYS 38 9.144 -1.193 -0.521 308 HD3 LYS 38 HD1 LYS 38 9.269 0.118 0.653 309 HE2 LYS 38 HE2 LYS 38 11.232 0.090 -0.759 310 HE3 LYS 38 HE1 LYS 38 11.676 -0.355 0.888 311 HZ1 LYS 38 HZ1 LYS 38 11.772 -2.643 0.252 312 HZ2 LYS 38 HZ2 LYS 38 12.710 -1.757 -0.839 313 HZ3 LYS 38 HZ3 LYS 38 11.177 -2.301 -1.291 314 H GLU 39 HN GLU 39 5.995 -4.551 1.887 315 HA GLU 39 HA GLU 39 3.678 -3.121 2.820 316 HB2 GLU 39 HB2 GLU 39 3.739 -4.326 0.620 317 HB3 GLU 39 HB1 GLU 39 3.753 -5.848 1.504 318 HG2 GLU 39 HG2 GLU 39 1.579 -5.452 2.372 319 HG3 GLU 39 HG1 GLU 39 1.578 -3.796 1.770 320 H ALA 40 HN ALA 40 5.276 -6.149 3.644 321 HA ALA 40 HA ALA 40 3.371 -6.964 5.599 322 HB1 ALA 40 HB1 ALA 40 5.045 -8.570 6.339 323 HB2 ALA 40 HB2 ALA 40 6.290 -7.748 5.410 324 HB3 ALA 40 HB3 ALA 40 4.957 -8.557 4.582 325 H GLU 41 HN GLU 41 6.087 -4.844 5.640 326 HA GLU 41 HA GLU 41 6.549 -4.702 8.419 327 HB2 GLU 41 HB2 GLU 41 8.067 -3.692 6.709 328 HB3 GLU 41 HB1 GLU 41 6.866 -2.437 6.429 329 HG2 GLU 41 HG2 GLU 41 7.116 -1.665 8.707 330 HG3 GLU 41 HG1 GLU 41 8.268 -2.959 9.035 331 H ARG 42 HN ARG 42 4.348 -2.906 6.330 332 HA ARG 42 HA ARG 42 3.295 -1.178 8.268 333 HB2 ARG 42 HB2 ARG 42 1.938 -2.318 5.823 334 HB3 ARG 42 HB1 ARG 42 1.340 -0.962 6.766 335 HG2 ARG 42 HG2 ARG 42 3.492 0.219 6.235 336 HG3 ARG 42 HG1 ARG 42 3.840 -1.091 5.107 337 HD2 ARG 42 HD2 ARG 42 1.802 -0.603 3.881 338 HD3 ARG 42 HD1 ARG 42 1.392 0.668 5.031 339 HE ARG 42 HE ARG 42 3.526 0.734 3.027 340 HH11 ARG 42 HH11 ARG 42 1.713 2.372 5.554 341 HH12 ARG 42 HH12 ARG 42 2.224 3.951 5.076 342 HH21 ARG 42 HH21 ARG 42 4.214 2.847 2.403 343 HH22 ARG 42 HH22 ARG 42 3.656 4.226 3.288 344 H LYS 43 HN LYS 43 2.550 -4.491 7.472 345 HA LYS 43 HA LYS 43 0.170 -4.747 8.973 346 HB2 LYS 43 HB2 LYS 43 2.226 -6.786 8.121 347 HB3 LYS 43 HB1 LYS 43 0.812 -7.209 9.062 348 HG2 LYS 43 HG2 LYS 43 -0.635 -6.393 7.292 349 HG3 LYS 43 HG1 LYS 43 0.785 -5.951 6.336 350 HD2 LYS 43 HD2 LYS 43 1.407 -8.172 6.011 351 HD3 LYS 43 HD1 LYS 43 0.428 -8.739 7.365 352 HE2 LYS 43 HE2 LYS 43 -0.643 -7.617 4.788 353 HE3 LYS 43 HE1 LYS 43 -0.532 -9.332 5.184 354 HZ1 LYS 43 HZ1 LYS 43 -2.726 -8.620 5.629 355 HZ2 LYS 43 HZ2 LYS 43 -2.211 -7.285 6.512 356 HZ3 LYS 43 HZ3 LYS 43 -1.988 -8.844 7.138 357 H ALA 44 HN ALA 44 3.496 -5.661 9.759 358 HA ALA 44 HA ALA 44 3.090 -6.516 12.373 359 HB1 ALA 44 HB1 ALA 44 5.230 -6.833 11.220 360 HB2 ALA 44 HB2 ALA 44 5.463 -6.056 12.782 361 HB3 ALA 44 HB3 ALA 44 5.543 -5.097 11.309 362 H LEU 45 HN LEU 45 3.580 -3.250 11.175 363 HA LEU 45 HA LEU 45 3.745 -2.047 13.737 364 HB2 LEU 45 HB2 LEU 45 2.971 -0.779 11.111 365 HB3 LEU 45 HB1 LEU 45 3.493 0.072 12.547 366 HG LEU 45 HG LEU 45 5.198 -1.785 10.889 367 HD11 LEU 45 HD11 LEU 45 4.699 0.294 9.740 368 HD12 LEU 45 HD12 LEU 45 6.387 0.244 10.246 369 HD13 LEU 45 HD13 LEU 45 5.224 1.213 11.150 370 HD21 LEU 45 HD21 LEU 45 5.906 -0.061 13.261 371 HD22 LEU 45 HD22 LEU 45 7.045 -0.979 12.276 372 HD23 LEU 45 HD23 LEU 45 5.834 -1.823 13.242 373 H GLU 46 HN GLU 46 1.111 -2.447 11.438 374 HA GLU 46 HA GLU 46 -0.776 -0.967 13.012 375 HB2 GLU 46 HB2 GLU 46 -1.034 -1.235 10.560 376 HB3 GLU 46 HB1 GLU 46 -1.315 -2.955 10.787 377 HG2 GLU 46 HG2 GLU 46 -3.338 -2.455 12.054 378 HG3 GLU 46 HG1 GLU 46 -3.050 -0.729 11.828 379 H ASP 47 HN ASP 47 0.090 -4.320 12.704 380 HA ASP 47 HA ASP 47 -2.101 -5.370 14.176 381 HB2 ASP 47 HB2 ASP 47 -0.938 -6.828 12.666 382 HB3 ASP 47 HB1 ASP 47 0.592 -6.562 13.495 383 H LYS 48 HN LYS 48 1.358 -5.250 15.179 384 HA LYS 48 HA LYS 48 2.297 -5.346 17.270 385 HB2 LYS 48 HB2 LYS 48 0.117 -3.310 17.589 386 HB3 LYS 48 HB1 LYS 48 1.168 -3.719 18.936 387 HG2 LYS 48 HG2 LYS 48 2.130 -2.737 16.256 388 HG3 LYS 48 HG1 LYS 48 1.894 -1.718 17.678 389 HD2 LYS 48 HD2 LYS 48 3.530 -3.078 18.911 390 HD3 LYS 48 HD1 LYS 48 3.778 -4.073 17.476 391 HE2 LYS 48 HE2 LYS 48 4.305 -1.111 17.657 392 HE3 LYS 48 HE1 LYS 48 5.532 -2.370 17.768 393 HZ1 LYS 48 HZ1 LYS 48 4.914 -3.074 15.519 394 HZ2 LYS 48 HZ2 LYS 48 5.460 -1.476 15.568 395 HZ3 LYS 48 HZ3 LYS 48 3.810 -1.790 15.431 396 H LEU 49 HN LEU 49 0.853 -7.623 16.945 397 HA LEU 49 HA LEU 49 0.325 -9.437 18.176 398 HB2 LEU 49 HB2 LEU 49 -0.106 -7.522 20.470 399 HB3 LEU 49 HB1 LEU 49 -0.260 -9.264 20.584 400 HG LEU 49 HG LEU 49 2.294 -7.826 19.857 401 HD11 LEU 49 HD11 LEU 49 3.034 -8.397 22.111 402 HD12 LEU 49 HD12 LEU 49 1.425 -9.027 22.475 403 HD13 LEU 49 HD13 LEU 49 1.645 -7.311 22.130 404 HD21 LEU 49 HD21 LEU 49 3.329 -10.009 20.296 405 HD22 LEU 49 HD22 LEU 49 2.176 -10.088 18.966 406 HD23 LEU 49 HD23 LEU 49 1.732 -10.707 20.556 407 H ALA 50 HN ALA 50 -1.693 -6.694 18.861 408 HA ALA 50 HA ALA 50 -3.919 -7.914 17.478 409 HB1 ALA 50 HB1 ALA 50 -4.117 -8.941 19.702 410 HB2 ALA 50 HB2 ALA 50 -5.476 -7.872 19.352 411 HB3 ALA 50 HB3 ALA 50 -4.187 -7.335 20.429 412 H ASP 51 HN ASP 51 -4.709 -6.353 16.330 413 HA ASP 51 HA ASP 51 -4.304 -3.582 17.070 414 HB2 ASP 51 HB2 ASP 51 -4.102 -4.202 14.711 415 HB3 ASP 51 HB1 ASP 51 -5.778 -4.744 14.697 416 H TYR 52 HN TYR 52 -7.052 -5.739 16.661 417 HA TYR 52 HA TYR 52 -8.820 -3.731 17.813 418 HB2 TYR 52 HB2 TYR 52 -9.393 -6.473 16.669 419 HB3 TYR 52 HB1 TYR 52 -10.619 -5.396 17.327 420 HD1 TYR 52 HD1 TYR 52 -8.490 -6.140 14.483 421 HD2 TYR 52 HD2 TYR 52 -11.148 -3.274 16.160 422 HE1 TYR 52 HE1 TYR 52 -8.719 -5.073 12.281 423 HE2 TYR 52 HE2 TYR 52 -11.385 -2.199 13.961 424 HH TYR 52 HH TYR 52 -10.101 -2.015 11.854 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 9.350 -5.937 -4.638 2 H2 GLY 1 HT2 GLY 1 7.798 -6.291 -5.207 3 H3 GLY 1 HT3 GLY 1 8.053 -5.987 -3.560 4 HA2 GLY 1 HA1 GLY 1 8.735 -3.717 -4.056 5 HA3 GLY 1 HA2 GLY 1 8.394 -4.028 -5.750 6 H SER 2 HN SER 2 7.118 -1.966 -4.889 7 HA SER 2 HA SER 2 5.111 -0.972 -4.702 8 HB2 SER 2 HB2 SER 2 4.043 -3.730 -5.338 9 HB3 SER 2 HB1 SER 2 3.065 -2.263 -5.297 10 HG SER 2 HG SER 2 4.527 -3.202 -7.297 11 H VAL 3 HN VAL 3 6.349 -2.714 -2.409 12 HA VAL 3 HA VAL 3 4.215 -3.473 -0.708 13 HB VAL 3 HB VAL 3 5.870 -3.599 1.094 14 HG11 VAL 3 HG11 VAL 3 7.457 -5.170 0.034 15 HG12 VAL 3 HG12 VAL 3 6.872 -4.648 -1.546 16 HG13 VAL 3 HG13 VAL 3 5.780 -5.459 -0.423 17 HG21 VAL 3 HG21 VAL 3 8.198 -2.961 0.730 18 HG22 VAL 3 HG22 VAL 3 7.130 -1.564 0.587 19 HG23 VAL 3 HG23 VAL 3 7.782 -2.330 -0.862 20 H GLU 4 HN GLU 4 5.621 -0.467 -1.446 21 HA GLU 4 HA GLU 4 4.941 0.953 0.919 22 HB2 GLU 4 HB2 GLU 4 6.671 1.716 -0.699 23 HB3 GLU 4 HB1 GLU 4 5.399 2.053 -1.865 24 HG2 GLU 4 HG2 GLU 4 4.502 3.771 -0.453 25 HG3 GLU 4 HG1 GLU 4 5.650 3.368 0.823 26 H LYS 5 HN LYS 5 3.043 -0.214 -1.666 27 HA LYS 5 HA LYS 5 0.994 1.819 -1.427 28 HB2 LYS 5 HB2 LYS 5 1.132 -0.768 -2.970 29 HB3 LYS 5 HB1 LYS 5 -0.324 0.214 -2.904 30 HG2 LYS 5 HG2 LYS 5 2.350 1.013 -4.034 31 HG3 LYS 5 HG1 LYS 5 0.862 0.696 -4.930 32 HD2 LYS 5 HD2 LYS 5 -0.181 2.586 -3.597 33 HD3 LYS 5 HD1 LYS 5 1.450 2.978 -3.054 34 HE2 LYS 5 HE2 LYS 5 0.935 4.376 -4.923 35 HE3 LYS 5 HE1 LYS 5 2.124 3.182 -5.444 36 HZ1 LYS 5 HZ1 LYS 5 0.349 3.475 -7.065 37 HZ2 LYS 5 HZ2 LYS 5 -0.805 3.006 -5.924 38 HZ3 LYS 5 HZ3 LYS 5 0.355 1.902 -6.457 39 H LEU 6 HN LEU 6 1.848 -1.082 0.097 40 HA LEU 6 HA LEU 6 -0.690 -1.053 1.553 41 HB2 LEU 6 HB2 LEU 6 -0.483 -3.500 1.862 42 HB3 LEU 6 HB1 LEU 6 -0.746 -3.025 0.201 43 HG LEU 6 HG LEU 6 2.041 -3.597 1.158 44 HD11 LEU 6 HD11 LEU 6 0.014 -5.644 0.256 45 HD12 LEU 6 HD12 LEU 6 0.709 -5.512 1.872 46 HD13 LEU 6 HD13 LEU 6 1.735 -5.938 0.503 47 HD21 LEU 6 HD21 LEU 6 0.616 -3.897 -1.484 48 HD22 LEU 6 HD22 LEU 6 2.311 -4.284 -1.184 49 HD23 LEU 6 HD23 LEU 6 1.748 -2.616 -1.050 50 H THR 7 HN THR 7 1.592 0.409 2.254 51 HA THR 7 HA THR 7 3.139 -1.053 4.153 52 HB THR 7 HB THR 7 4.250 0.817 3.171 53 HG1 THR 7 HG1 THR 7 5.088 1.703 4.957 54 HG21 THR 7 HG21 THR 7 3.553 3.125 3.366 55 HG22 THR 7 HG22 THR 7 2.165 2.662 4.341 56 HG23 THR 7 HG23 THR 7 2.245 2.185 2.645 57 H ALA 8 HN ALA 8 0.947 1.716 4.851 58 HA ALA 8 HA ALA 8 0.455 0.726 7.513 59 HB1 ALA 8 HB1 ALA 8 -1.011 2.913 6.009 60 HB2 ALA 8 HB2 ALA 8 0.403 3.152 7.039 61 HB3 ALA 8 HB3 ALA 8 -1.110 2.586 7.736 62 H ASP 9 HN ASP 9 -1.103 0.601 4.430 63 HA ASP 9 HA ASP 9 -3.634 -0.324 5.197 64 HB2 ASP 9 HB2 ASP 9 -2.085 -0.555 2.629 65 HB3 ASP 9 HB1 ASP 9 -3.617 -1.381 2.836 66 H ALA 10 HN ALA 10 -0.615 -1.836 5.182 67 HA ALA 10 HA ALA 10 -1.226 -4.536 4.821 68 HB1 ALA 10 HB1 ALA 10 1.090 -3.725 5.032 69 HB2 ALA 10 HB2 ALA 10 0.758 -5.033 6.162 70 HB3 ALA 10 HB3 ALA 10 0.808 -3.372 6.740 71 H GLU 11 HN GLU 11 -1.316 -2.563 7.750 72 HA GLU 11 HA GLU 11 -2.192 -4.626 9.481 73 HB2 GLU 11 HB2 GLU 11 -1.225 -2.539 10.356 74 HB3 GLU 11 HB1 GLU 11 -2.603 -1.633 9.737 75 HG2 GLU 11 HG2 GLU 11 -4.077 -2.726 11.264 76 HG3 GLU 11 HG1 GLU 11 -2.790 -3.806 11.800 77 H LEU 12 HN LEU 12 -3.870 -2.227 7.545 78 HA LEU 12 HA LEU 12 -6.501 -2.809 8.306 79 HB2 LEU 12 HB2 LEU 12 -5.360 -1.845 5.676 80 HB3 LEU 12 HB1 LEU 12 -7.069 -2.119 5.891 81 HG LEU 12 HG LEU 12 -7.232 -0.362 7.534 82 HD11 LEU 12 HD11 LEU 12 -4.249 -0.014 7.251 83 HD12 LEU 12 HD12 LEU 12 -5.078 -0.684 8.656 84 HD13 LEU 12 HD13 LEU 12 -5.335 1.001 8.200 85 HD21 LEU 12 HD21 LEU 12 -7.334 0.284 5.193 86 HD22 LEU 12 HD22 LEU 12 -5.583 0.510 5.173 87 HD23 LEU 12 HD23 LEU 12 -6.596 1.558 6.167 88 H GLN 13 HN GLN 13 -4.471 -4.300 5.812 89 HA GLN 13 HA GLN 13 -6.394 -6.174 4.898 90 HB2 GLN 13 HB2 GLN 13 -3.394 -6.525 4.869 91 HB3 GLN 13 HB1 GLN 13 -4.564 -7.302 3.814 92 HG2 GLN 13 HG2 GLN 13 -5.068 -5.187 2.763 93 HG3 GLN 13 HG1 GLN 13 -3.978 -4.353 3.872 94 HE21 GLN 13 HE21 GLN 13 -4.250 -6.285 1.052 95 HE22 GLN 13 HE22 GLN 13 -2.572 -6.253 0.615 96 H ARG 14 HN ARG 14 -4.070 -6.185 7.503 97 HA ARG 14 HA ARG 14 -4.173 -8.948 8.118 98 HB2 ARG 14 HB2 ARG 14 -2.440 -7.352 9.008 99 HB3 ARG 14 HB1 ARG 14 -3.667 -6.676 10.070 100 HG2 ARG 14 HG2 ARG 14 -3.874 -8.791 11.222 101 HG3 ARG 14 HG1 ARG 14 -2.724 -9.534 10.106 102 HD2 ARG 14 HD2 ARG 14 -2.130 -7.243 11.985 103 HD3 ARG 14 HD1 ARG 14 -1.665 -8.921 12.240 104 HE ARG 14 HE ARG 14 -0.692 -7.452 9.876 105 HH11 ARG 14 HH11 ARG 14 -0.025 -9.181 12.860 106 HH12 ARG 14 HH12 ARG 14 1.680 -9.238 12.600 107 HH21 ARG 14 HH21 ARG 14 1.586 -7.541 9.522 108 HH22 ARG 14 HH22 ARG 14 2.601 -8.304 10.695 109 H LEU 15 HN LEU 15 -6.208 -6.275 8.921 110 HA LEU 15 HA LEU 15 -7.801 -7.815 10.778 111 HB2 LEU 15 HB2 LEU 15 -7.434 -5.470 11.249 112 HB3 LEU 15 HB1 LEU 15 -8.115 -5.007 9.705 113 HG LEU 15 HG LEU 15 -10.315 -5.888 10.459 114 HD11 LEU 15 HD11 LEU 15 -9.548 -7.485 12.115 115 HD12 LEU 15 HD12 LEU 15 -10.649 -6.315 12.843 116 HD13 LEU 15 HD13 LEU 15 -8.911 -6.173 13.107 117 HD21 LEU 15 HD21 LEU 15 -9.793 -3.517 10.615 118 HD22 LEU 15 HD22 LEU 15 -9.067 -3.768 12.202 119 HD23 LEU 15 HD23 LEU 15 -10.795 -4.026 11.972 120 H LYS 16 HN LYS 16 -8.347 -6.259 7.595 121 HA LYS 16 HA LYS 16 -11.009 -7.319 7.460 122 HB2 LYS 16 HB2 LYS 16 -9.447 -5.859 5.337 123 HB3 LYS 16 HB1 LYS 16 -11.176 -6.174 5.321 124 HG2 LYS 16 HG2 LYS 16 -11.327 -4.854 7.455 125 HG3 LYS 16 HG1 LYS 16 -9.648 -4.386 7.191 126 HD2 LYS 16 HD2 LYS 16 -10.307 -3.455 4.987 127 HD3 LYS 16 HD1 LYS 16 -11.989 -3.834 5.368 128 HE2 LYS 16 HE2 LYS 16 -11.716 -2.433 7.440 129 HE3 LYS 16 HE1 LYS 16 -10.159 -1.919 6.799 130 HZ1 LYS 16 HZ1 LYS 16 -12.819 -1.476 5.568 131 HZ2 LYS 16 HZ2 LYS 16 -11.358 -1.082 4.814 132 HZ3 LYS 16 HZ3 LYS 16 -11.811 -0.305 6.250 133 H ASN 17 HN ASN 17 -7.927 -8.224 6.020 134 HA ASN 17 HA ASN 17 -9.250 -10.114 4.244 135 HB2 ASN 17 HB2 ASN 17 -6.289 -9.610 4.688 136 HB3 ASN 17 HB1 ASN 17 -6.948 -10.731 3.505 137 HD21 ASN 17 HD21 ASN 17 -6.026 -9.648 1.778 138 HD22 ASN 17 HD22 ASN 17 -6.587 -8.107 1.232 139 H GLU 18 HN GLU 18 -7.672 -10.074 7.314 140 HA GLU 18 HA GLU 18 -7.497 -11.608 8.986 141 HB2 GLU 18 HB2 GLU 18 -9.884 -12.043 8.364 142 HB3 GLU 18 HB1 GLU 18 -9.336 -13.322 7.297 143 HG2 GLU 18 HG2 GLU 18 -8.386 -14.493 9.261 144 HG3 GLU 18 HG1 GLU 18 -9.068 -13.236 10.295 145 H ARG 19 HN ARG 19 -5.949 -11.869 6.250 146 HA ARG 19 HA ARG 19 -4.435 -14.202 7.068 147 HB2 ARG 19 HB2 ARG 19 -6.280 -15.032 5.538 148 HB3 ARG 19 HB1 ARG 19 -5.553 -14.075 4.256 149 HG2 ARG 19 HG2 ARG 19 -3.471 -15.372 4.509 150 HG3 ARG 19 HG1 ARG 19 -4.266 -16.370 5.726 151 HD2 ARG 19 HD2 ARG 19 -4.276 -17.468 3.555 152 HD3 ARG 19 HD1 ARG 19 -5.915 -17.073 4.063 153 HE ARG 19 HE ARG 19 -5.809 -15.164 2.522 154 HH11 ARG 19 HH11 ARG 19 -3.448 -17.742 2.050 155 HH12 ARG 19 HH12 ARG 19 -3.308 -17.458 0.349 156 HH21 ARG 19 HH21 ARG 19 -5.596 -14.795 0.266 157 HH22 ARG 19 HH22 ARG 19 -4.533 -15.788 -0.672 158 H HIS 20 HN HIS 20 -4.037 -11.324 6.874 159 HA HIS 20 HA HIS 20 -2.679 -10.498 4.583 160 HB2 HIS 20 HB2 HIS 20 -3.326 -8.800 6.108 161 HB3 HIS 20 HB1 HIS 20 -2.441 -9.543 7.437 162 HD2 HIS 20 HD2 HIS 20 -1.386 -7.871 3.986 163 HE1 HIS 20 HE1 HIS 20 1.468 -6.990 6.986 164 HE2 HIS 20 HE2 HIS 20 0.962 -6.924 4.536 165 H GLU 21 HN GLU 21 -1.143 -11.653 7.617 166 HA GLU 21 HA GLU 21 1.453 -11.430 6.718 167 HB2 GLU 21 HB2 GLU 21 2.033 -13.079 8.505 168 HB3 GLU 21 HB1 GLU 21 1.068 -11.711 9.034 169 HG2 GLU 21 HG2 GLU 21 -0.946 -13.196 8.848 170 HG3 GLU 21 HG1 GLU 21 0.167 -14.541 8.590 171 H GLU 22 HN GLU 22 -0.682 -14.263 6.376 172 HA GLU 22 HA GLU 22 1.345 -15.831 5.127 173 HB2 GLU 22 HB2 GLU 22 -0.605 -16.901 6.170 174 HB3 GLU 22 HB1 GLU 22 -1.673 -16.171 4.984 175 HG2 GLU 22 HG2 GLU 22 -0.226 -17.400 3.252 176 HG3 GLU 22 HG1 GLU 22 0.336 -18.348 4.627 177 H ALA 23 HN ALA 23 -1.469 -14.099 3.795 178 HA ALA 23 HA ALA 23 -0.970 -14.608 1.102 179 HB1 ALA 23 HB1 ALA 23 -2.412 -12.715 0.582 180 HB2 ALA 23 HB2 ALA 23 -2.302 -12.144 2.243 181 HB3 ALA 23 HB3 ALA 23 -3.101 -13.679 1.883 182 H GLU 24 HN GLU 24 0.238 -11.996 3.125 183 HA GLU 24 HA GLU 24 1.450 -10.507 1.045 184 HB2 GLU 24 HB2 GLU 24 1.044 -9.497 3.237 185 HB3 GLU 24 HB1 GLU 24 2.188 -10.600 3.989 186 HG2 GLU 24 HG2 GLU 24 4.009 -9.591 2.794 187 HG3 GLU 24 HG1 GLU 24 2.894 -8.564 1.894 188 H LEU 25 HN LEU 25 2.841 -12.885 3.288 189 HA LEU 25 HA LEU 25 5.414 -12.916 2.293 190 HB2 LEU 25 HB2 LEU 25 4.286 -14.136 4.320 191 HB3 LEU 25 HB1 LEU 25 4.092 -15.452 3.184 192 HG LEU 25 HG LEU 25 6.076 -15.683 4.664 193 HD11 LEU 25 HD11 LEU 25 6.709 -15.402 1.739 194 HD12 LEU 25 HD12 LEU 25 6.043 -16.828 2.534 195 HD13 LEU 25 HD13 LEU 25 7.673 -16.284 2.923 196 HD21 LEU 25 HD21 LEU 25 6.634 -13.295 4.814 197 HD22 LEU 25 HD22 LEU 25 7.160 -13.326 3.130 198 HD23 LEU 25 HD23 LEU 25 8.013 -14.283 4.338 199 H GLU 26 HN GLU 26 2.688 -15.028 1.314 200 HA GLU 26 HA GLU 26 4.072 -16.370 -0.743 201 HB2 GLU 26 HB2 GLU 26 1.891 -17.088 0.249 202 HB3 GLU 26 HB1 GLU 26 1.109 -15.786 -0.627 203 HG2 GLU 26 HG2 GLU 26 0.820 -17.925 -1.757 204 HG3 GLU 26 HG1 GLU 26 1.743 -16.796 -2.746 205 H ARG 27 HN ARG 27 2.154 -13.449 -0.737 206 HA ARG 27 HA ARG 27 2.117 -12.786 -3.428 207 HB2 ARG 27 HB2 ARG 27 0.868 -11.390 -1.990 208 HB3 ARG 27 HB1 ARG 27 2.249 -11.071 -0.950 209 HG2 ARG 27 HG2 ARG 27 3.262 -9.845 -2.916 210 HG3 ARG 27 HG1 ARG 27 1.660 -9.943 -3.658 211 HD2 ARG 27 HD2 ARG 27 0.680 -8.632 -2.008 212 HD3 ARG 27 HD1 ARG 27 1.996 -8.909 -0.871 213 HE ARG 27 HE ARG 27 2.022 -7.083 -3.175 214 HH11 ARG 27 HH11 ARG 27 3.584 -8.345 -0.274 215 HH12 ARG 27 HH12 ARG 27 4.696 -7.035 -0.135 216 HH21 ARG 27 HH21 ARG 27 3.455 -5.352 -2.998 217 HH22 ARG 27 HH22 ARG 27 4.635 -5.305 -1.726 218 H LEU 28 HN LEU 28 4.695 -12.201 -1.060 219 HA LEU 28 HA LEU 28 6.379 -10.862 -2.990 220 HB2 LEU 28 HB2 LEU 28 6.478 -10.330 -0.565 221 HB3 LEU 28 HB1 LEU 28 7.079 -11.946 -0.246 222 HG LEU 28 HG LEU 28 9.100 -11.423 -1.570 223 HD11 LEU 28 HD11 LEU 28 9.562 -9.083 -2.136 224 HD12 LEU 28 HD12 LEU 28 7.916 -8.655 -1.670 225 HD13 LEU 28 HD13 LEU 28 8.194 -9.729 -3.040 226 HD21 LEU 28 HD21 LEU 28 9.101 -11.164 0.855 227 HD22 LEU 28 HD22 LEU 28 8.505 -9.514 0.688 228 HD23 LEU 28 HD23 LEU 28 10.110 -9.937 0.090 229 H LYS 29 HN LYS 29 6.177 -14.099 -1.645 230 HA LYS 29 HA LYS 29 8.492 -15.226 -2.697 231 HB2 LYS 29 HB2 LYS 29 5.741 -16.449 -2.410 232 HB3 LYS 29 HB1 LYS 29 7.160 -17.365 -2.892 233 HG2 LYS 29 HG2 LYS 29 8.216 -16.972 -0.782 234 HG3 LYS 29 HG1 LYS 29 6.943 -15.846 -0.305 235 HD2 LYS 29 HD2 LYS 29 6.621 -18.013 0.767 236 HD3 LYS 29 HD1 LYS 29 5.310 -17.686 -0.360 237 HE2 LYS 29 HE2 LYS 29 6.667 -19.041 -2.047 238 HE3 LYS 29 HE1 LYS 29 7.618 -19.573 -0.665 239 HZ1 LYS 29 HZ1 LYS 29 5.617 -20.446 0.348 240 HZ2 LYS 29 HZ2 LYS 29 5.832 -21.121 -1.186 241 HZ3 LYS 29 HZ3 LYS 29 4.680 -19.899 -0.953 242 H SER 30 HN SER 30 5.330 -14.906 -4.242 243 HA SER 30 HA SER 30 6.388 -15.760 -6.789 244 HB2 SER 30 HB2 SER 30 4.004 -15.266 -7.529 245 HB3 SER 30 HB1 SER 30 4.186 -16.515 -6.298 246 HG SER 30 HG SER 30 3.342 -15.207 -4.800 247 H GLU 31 HN GLU 31 5.840 -12.824 -5.096 248 HA GLU 31 HA GLU 31 6.116 -10.619 -5.572 249 HB2 GLU 31 HB2 GLU 31 8.309 -11.394 -6.454 250 HB3 GLU 31 HB1 GLU 31 7.573 -11.639 -8.021 251 HG2 GLU 31 HG2 GLU 31 8.820 -9.597 -8.069 252 HG3 GLU 31 HG1 GLU 31 7.105 -9.199 -8.121 253 H ARG 32 HN ARG 32 3.760 -11.599 -6.057 254 HA ARG 32 HA ARG 32 2.871 -11.083 -8.763 255 HB2 ARG 32 HB2 ARG 32 1.997 -12.982 -7.388 256 HB3 ARG 32 HB1 ARG 32 1.236 -11.806 -6.328 257 HG2 ARG 32 HG2 ARG 32 -0.388 -12.704 -7.859 258 HG3 ARG 32 HG1 ARG 32 -0.108 -11.001 -8.226 259 HD2 ARG 32 HD2 ARG 32 -0.221 -12.372 -10.258 260 HD3 ARG 32 HD1 ARG 32 1.355 -11.611 -10.063 261 HE ARG 32 HE ARG 32 1.169 -14.297 -9.010 262 HH11 ARG 32 HH11 ARG 32 1.891 -12.332 -11.822 263 HH12 ARG 32 HH12 ARG 32 2.902 -13.524 -12.555 264 HH21 ARG 32 HH21 ARG 32 2.484 -15.889 -9.983 265 HH22 ARG 32 HH22 ARG 32 3.220 -15.573 -11.516 266 H HIS 33 HN HIS 33 3.029 -8.930 -9.151 267 HA HIS 33 HA HIS 33 2.284 -6.907 -7.295 268 HB2 HIS 33 HB2 HIS 33 2.846 -6.836 -10.256 269 HB3 HIS 33 HB1 HIS 33 2.373 -5.397 -9.359 270 HD2 HIS 33 HD2 HIS 33 5.238 -8.096 -8.884 271 HE1 HIS 33 HE1 HIS 33 6.726 -4.242 -7.962 272 HE2 HIS 33 HE2 HIS 33 7.101 -6.717 -7.766 273 H ASP 34 HN ASP 34 0.516 -8.842 -9.455 274 HA ASP 34 HA ASP 34 -1.696 -7.225 -9.989 275 HB2 ASP 34 HB2 ASP 34 -1.614 -10.219 -9.566 276 HB3 ASP 34 HB1 ASP 34 -2.945 -9.333 -10.303 277 H HIS 35 HN HIS 35 -0.792 -9.039 -7.136 278 HA HIS 35 HA HIS 35 -3.286 -8.840 -5.789 279 HB2 HIS 35 HB2 HIS 35 -0.476 -9.179 -4.694 280 HB3 HIS 35 HB1 HIS 35 -1.912 -9.176 -3.684 281 HD2 HIS 35 HD2 HIS 35 -3.763 -11.197 -5.527 282 HE1 HIS 35 HE1 HIS 35 -0.568 -13.916 -4.916 283 HE2 HIS 35 HE2 HIS 35 -3.025 -13.673 -5.391 284 H ASP 36 HN ASP 36 -0.335 -6.881 -5.688 285 HA ASP 36 HA ASP 36 -1.134 -4.906 -3.901 286 HB2 ASP 36 HB2 ASP 36 0.619 -4.593 -6.363 287 HB3 ASP 36 HB1 ASP 36 0.529 -3.461 -5.022 288 H LYS 37 HN LYS 37 -1.544 -5.139 -7.375 289 HA LYS 37 HA LYS 37 -2.728 -2.620 -7.788 290 HB2 LYS 37 HB2 LYS 37 -1.782 -3.919 -9.642 291 HB3 LYS 37 HB1 LYS 37 -3.017 -5.152 -9.438 292 HG2 LYS 37 HG2 LYS 37 -3.481 -3.712 -11.335 293 HG3 LYS 37 HG1 LYS 37 -4.730 -3.565 -10.098 294 HD2 LYS 37 HD2 LYS 37 -3.786 -1.480 -9.333 295 HD3 LYS 37 HD1 LYS 37 -2.419 -1.655 -10.436 296 HE2 LYS 37 HE2 LYS 37 -3.853 -1.434 -12.340 297 HE3 LYS 37 HE1 LYS 37 -5.292 -1.471 -11.323 298 HZ1 LYS 37 HZ1 LYS 37 -4.697 0.616 -10.378 299 HZ2 LYS 37 HZ2 LYS 37 -4.654 0.776 -12.064 300 HZ3 LYS 37 HZ3 LYS 37 -3.211 0.637 -11.192 301 H LYS 38 HN LYS 38 -4.221 -5.807 -7.354 302 HA LYS 38 HA LYS 38 -6.882 -4.873 -7.615 303 HB2 LYS 38 HB2 LYS 38 -5.841 -7.366 -6.262 304 HB3 LYS 38 HB1 LYS 38 -7.539 -7.040 -6.590 305 HG2 LYS 38 HG2 LYS 38 -7.122 -7.009 -8.967 306 HG3 LYS 38 HG1 LYS 38 -5.392 -7.215 -8.692 307 HD2 LYS 38 HD2 LYS 38 -5.841 -9.395 -7.647 308 HD3 LYS 38 HD1 LYS 38 -7.563 -9.185 -7.983 309 HE2 LYS 38 HE2 LYS 38 -7.075 -9.071 -10.378 310 HE3 LYS 38 HE1 LYS 38 -5.359 -9.282 -10.039 311 HZ1 LYS 38 HZ1 LYS 38 -7.494 -11.242 -9.422 312 HZ2 LYS 38 HZ2 LYS 38 -5.850 -11.446 -9.107 313 HZ3 LYS 38 HZ3 LYS 38 -6.402 -11.351 -10.703 314 H GLU 39 HN GLU 39 -4.790 -5.278 -4.809 315 HA GLU 39 HA GLU 39 -6.772 -4.629 -2.876 316 HB2 GLU 39 HB2 GLU 39 -4.662 -5.747 -2.240 317 HB3 GLU 39 HB1 GLU 39 -3.755 -4.311 -2.704 318 HG2 GLU 39 HG2 GLU 39 -3.959 -4.385 -0.326 319 HG3 GLU 39 HG1 GLU 39 -4.927 -3.048 -0.943 320 H ALA 40 HN ALA 40 -4.327 -2.726 -4.572 321 HA ALA 40 HA ALA 40 -4.818 -0.251 -3.341 322 HB1 ALA 40 HB1 ALA 40 -3.864 -0.713 -6.176 323 HB2 ALA 40 HB2 ALA 40 -2.833 -0.662 -4.742 324 HB3 ALA 40 HB3 ALA 40 -3.708 0.777 -5.249 325 H GLU 41 HN GLU 41 -6.212 -1.630 -6.308 326 HA GLU 41 HA GLU 41 -7.869 0.528 -6.973 327 HB2 GLU 41 HB2 GLU 41 -8.364 -2.421 -7.428 328 HB3 GLU 41 HB1 GLU 41 -9.224 -1.115 -8.228 329 HG2 GLU 41 HG2 GLU 41 -6.279 -1.697 -8.469 330 HG3 GLU 41 HG1 GLU 41 -7.515 -2.091 -9.660 331 H ARG 42 HN ARG 42 -8.295 -2.102 -4.707 332 HA ARG 42 HA ARG 42 -11.058 -1.580 -4.160 333 HB2 ARG 42 HB2 ARG 42 -10.113 -3.805 -3.697 334 HB3 ARG 42 HB1 ARG 42 -9.024 -3.114 -2.500 335 HG2 ARG 42 HG2 ARG 42 -10.861 -2.548 -1.069 336 HG3 ARG 42 HG1 ARG 42 -12.025 -3.029 -2.303 337 HD2 ARG 42 HD2 ARG 42 -11.891 -4.785 -0.689 338 HD3 ARG 42 HD1 ARG 42 -11.114 -5.343 -2.166 339 HE ARG 42 HE ARG 42 -8.993 -4.473 -0.794 340 HH11 ARG 42 HH11 ARG 42 -11.731 -6.401 0.279 341 HH12 ARG 42 HH12 ARG 42 -10.821 -7.287 1.449 342 HH21 ARG 42 HH21 ARG 42 -7.777 -5.646 0.747 343 HH22 ARG 42 HH22 ARG 42 -8.555 -6.840 1.740 344 H LYS 43 HN LYS 43 -8.042 -0.802 -2.478 345 HA LYS 43 HA LYS 43 -9.242 0.546 -0.326 346 HB2 LYS 43 HB2 LYS 43 -6.473 0.838 -1.487 347 HB3 LYS 43 HB1 LYS 43 -7.001 1.579 0.016 348 HG2 LYS 43 HG2 LYS 43 -6.922 -1.372 -0.553 349 HG3 LYS 43 HG1 LYS 43 -5.775 -0.467 0.438 350 HD2 LYS 43 HD2 LYS 43 -7.638 0.170 1.945 351 HD3 LYS 43 HD1 LYS 43 -8.725 -0.836 0.983 352 HE2 LYS 43 HE2 LYS 43 -7.882 -1.944 3.038 353 HE3 LYS 43 HE1 LYS 43 -7.500 -2.810 1.549 354 HZ1 LYS 43 HZ1 LYS 43 -5.299 -2.081 1.625 355 HZ2 LYS 43 HZ2 LYS 43 -5.639 -2.568 3.213 356 HZ3 LYS 43 HZ3 LYS 43 -5.614 -0.915 2.805 357 H ALA 44 HN ALA 44 -8.274 1.686 -3.488 358 HA ALA 44 HA ALA 44 -8.543 4.445 -2.998 359 HB1 ALA 44 HB1 ALA 44 -7.556 3.618 -5.085 360 HB2 ALA 44 HB2 ALA 44 -8.898 4.707 -5.418 361 HB3 ALA 44 HB3 ALA 44 -9.120 2.970 -5.582 362 H LEU 45 HN LEU 45 -10.932 2.054 -4.035 363 HA LEU 45 HA LEU 45 -13.120 3.869 -4.109 364 HB2 LEU 45 HB2 LEU 45 -13.112 0.868 -3.788 365 HB3 LEU 45 HB1 LEU 45 -14.528 1.838 -4.130 366 HG LEU 45 HG LEU 45 -12.143 1.539 -5.954 367 HD11 LEU 45 HD11 LEU 45 -13.453 -0.513 -5.765 368 HD12 LEU 45 HD12 LEU 45 -13.641 0.230 -7.354 369 HD13 LEU 45 HD13 LEU 45 -14.919 0.386 -6.150 370 HD21 LEU 45 HD21 LEU 45 -13.572 2.677 -7.599 371 HD22 LEU 45 HD22 LEU 45 -13.212 3.706 -6.214 372 HD23 LEU 45 HD23 LEU 45 -14.791 2.932 -6.350 373 H GLU 46 HN GLU 46 -11.860 1.674 -1.659 374 HA GLU 46 HA GLU 46 -14.004 2.061 0.169 375 HB2 GLU 46 HB2 GLU 46 -12.596 0.049 0.265 376 HB3 GLU 46 HB1 GLU 46 -11.213 1.033 0.733 377 HG2 GLU 46 HG2 GLU 46 -12.223 1.586 2.812 378 HG3 GLU 46 HG1 GLU 46 -13.747 0.848 2.330 379 H ASP 47 HN ASP 47 -10.889 3.657 -0.226 380 HA ASP 47 HA ASP 47 -11.188 5.190 2.183 381 HB2 ASP 47 HB2 ASP 47 -8.942 4.780 1.272 382 HB3 ASP 47 HB1 ASP 47 -9.355 5.681 -0.186 383 H LYS 48 HN LYS 48 -12.129 5.546 -1.111 384 HA LYS 48 HA LYS 48 -12.749 8.364 -0.851 385 HB2 LYS 48 HB2 LYS 48 -11.930 7.292 -2.998 386 HB3 LYS 48 HB1 LYS 48 -13.515 6.544 -3.147 387 HG2 LYS 48 HG2 LYS 48 -14.548 8.751 -3.251 388 HG3 LYS 48 HG1 LYS 48 -12.965 9.505 -3.075 389 HD2 LYS 48 HD2 LYS 48 -13.797 7.691 -5.343 390 HD3 LYS 48 HD1 LYS 48 -13.722 9.451 -5.419 391 HE2 LYS 48 HE2 LYS 48 -11.404 7.578 -4.932 392 HE3 LYS 48 HE1 LYS 48 -11.735 8.461 -6.418 393 HZ1 LYS 48 HZ1 LYS 48 -10.067 9.608 -5.182 394 HZ2 LYS 48 HZ2 LYS 48 -11.009 9.623 -3.787 395 HZ3 LYS 48 HZ3 LYS 48 -11.477 10.540 -5.122 396 H LEU 49 HN LEU 49 -14.206 5.824 0.469 397 HA LEU 49 HA LEU 49 -16.905 6.041 -0.175 398 HB2 LEU 49 HB2 LEU 49 -15.610 5.247 2.426 399 HB3 LEU 49 HB1 LEU 49 -17.329 5.135 2.130 400 HG LEU 49 HG LEU 49 -15.216 3.667 0.562 401 HD11 LEU 49 HD11 LEU 49 -17.097 2.727 2.716 402 HD12 LEU 49 HD12 LEU 49 -15.339 2.825 2.820 403 HD13 LEU 49 HD13 LEU 49 -16.096 1.676 1.715 404 HD21 LEU 49 HD21 LEU 49 -18.228 3.507 0.502 405 HD22 LEU 49 HD22 LEU 49 -17.134 2.408 -0.336 406 HD23 LEU 49 HD23 LEU 49 -17.182 4.112 -0.783 407 H ALA 50 HN ALA 50 -15.144 8.557 0.942 408 HA ALA 50 HA ALA 50 -16.736 9.840 2.836 409 HB1 ALA 50 HB1 ALA 50 -15.209 11.086 0.540 410 HB2 ALA 50 HB2 ALA 50 -14.555 10.704 2.132 411 HB3 ALA 50 HB3 ALA 50 -15.798 11.942 1.965 412 H ASP 51 HN ASP 51 -17.124 9.401 -0.594 413 HA ASP 51 HA ASP 51 -19.725 10.753 -0.495 414 HB2 ASP 51 HB2 ASP 51 -17.902 10.061 -2.797 415 HB3 ASP 51 HB1 ASP 51 -19.601 10.445 -3.049 416 H TYR 52 HN TYR 52 -21.036 9.269 0.314 417 HA TYR 52 HA TYR 52 -21.079 6.610 -0.923 418 HB2 TYR 52 HB2 TYR 52 -22.192 5.845 1.191 419 HB3 TYR 52 HB1 TYR 52 -20.535 6.393 1.411 420 HD1 TYR 52 HD1 TYR 52 -23.972 6.839 2.393 421 HD2 TYR 52 HD2 TYR 52 -20.150 8.703 2.362 422 HE1 TYR 52 HE1 TYR 52 -24.720 8.399 4.144 423 HE2 TYR 52 HE2 TYR 52 -20.886 10.257 4.102 424 HH TYR 52 HH TYR 52 -22.987 11.197 4.950 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 18.574 -23.168 2.350 2 H2 GLY 1 HT2 GLY 1 20.259 -23.067 2.334 3 H3 GLY 1 HT3 GLY 1 19.336 -21.936 1.475 4 HA2 GLY 1 HA1 GLY 1 20.173 -20.949 3.481 5 HA3 GLY 1 HA2 GLY 1 18.420 -21.086 3.533 6 H SER 2 HN SER 2 18.588 -20.954 5.836 7 HA SER 2 HA SER 2 19.420 -23.500 7.079 8 HB2 SER 2 HB2 SER 2 19.323 -20.763 8.378 9 HB3 SER 2 HB1 SER 2 19.928 -22.254 9.100 10 HG SER 2 HG SER 2 21.015 -20.957 6.814 11 H VAL 3 HN VAL 3 16.874 -22.631 5.865 12 HA VAL 3 HA VAL 3 14.912 -21.657 7.462 13 HB VAL 3 HB VAL 3 14.513 -23.982 5.577 14 HG11 VAL 3 HG11 VAL 3 12.272 -23.058 5.272 15 HG12 VAL 3 HG12 VAL 3 12.625 -21.802 6.458 16 HG13 VAL 3 HG13 VAL 3 12.565 -23.491 6.955 17 HG21 VAL 3 HG21 VAL 3 14.124 -22.284 3.844 18 HG22 VAL 3 HG22 VAL 3 15.769 -22.217 4.471 19 HG23 VAL 3 HG23 VAL 3 14.579 -21.023 4.989 20 H GLU 4 HN GLU 4 15.760 -25.108 7.260 21 HA GLU 4 HA GLU 4 13.883 -25.885 9.235 22 HB2 GLU 4 HB2 GLU 4 15.149 -28.067 9.227 23 HB3 GLU 4 HB1 GLU 4 14.528 -27.543 7.671 24 HG2 GLU 4 HG2 GLU 4 16.742 -26.776 7.022 25 HG3 GLU 4 HG1 GLU 4 17.375 -27.219 8.604 26 H LYS 5 HN LYS 5 17.443 -25.648 9.465 27 HA LYS 5 HA LYS 5 17.499 -26.362 12.214 28 HB2 LYS 5 HB2 LYS 5 19.347 -26.742 10.608 29 HB3 LYS 5 HB1 LYS 5 19.635 -25.010 10.570 30 HG2 LYS 5 HG2 LYS 5 20.137 -25.071 12.982 31 HG3 LYS 5 HG1 LYS 5 19.923 -26.823 12.956 32 HD2 LYS 5 HD2 LYS 5 21.723 -26.997 11.291 33 HD3 LYS 5 HD1 LYS 5 21.956 -25.250 11.378 34 HE2 LYS 5 HE2 LYS 5 22.462 -25.480 13.787 35 HE3 LYS 5 HE1 LYS 5 22.317 -27.230 13.623 36 HZ1 LYS 5 HZ1 LYS 5 24.124 -27.133 11.970 37 HZ2 LYS 5 HZ2 LYS 5 24.608 -26.629 13.503 38 HZ3 LYS 5 HZ3 LYS 5 24.314 -25.481 12.298 39 H LEU 6 HN LEU 6 17.174 -23.321 10.585 40 HA LEU 6 HA LEU 6 17.926 -21.778 12.945 41 HB2 LEU 6 HB2 LEU 6 18.499 -21.081 10.584 42 HB3 LEU 6 HB1 LEU 6 16.796 -20.765 10.330 43 HG LEU 6 HG LEU 6 16.877 -19.013 12.052 44 HD11 LEU 6 HD11 LEU 6 19.827 -19.641 12.119 45 HD12 LEU 6 HD12 LEU 6 18.677 -19.893 13.433 46 HD13 LEU 6 HD13 LEU 6 19.055 -18.258 12.894 47 HD21 LEU 6 HD21 LEU 6 18.926 -18.792 9.854 48 HD22 LEU 6 HD22 LEU 6 18.239 -17.434 10.740 49 HD23 LEU 6 HD23 LEU 6 17.204 -18.439 9.725 50 H THR 7 HN THR 7 15.343 -23.485 12.166 51 HA THR 7 HA THR 7 13.206 -23.632 12.946 52 HB THR 7 HB THR 7 13.803 -21.219 14.693 53 HG1 THR 7 HG1 THR 7 14.110 -23.748 15.777 54 HG21 THR 7 HG21 THR 7 11.460 -21.952 14.689 55 HG22 THR 7 HG22 THR 7 12.217 -22.307 16.241 56 HG23 THR 7 HG23 THR 7 11.965 -23.598 15.067 57 H ALA 8 HN ALA 8 14.118 -21.648 10.785 58 HA ALA 8 HA ALA 8 12.153 -19.561 10.798 59 HB1 ALA 8 HB1 ALA 8 14.304 -19.354 9.548 60 HB2 ALA 8 HB2 ALA 8 12.882 -19.038 8.559 61 HB3 ALA 8 HB3 ALA 8 13.715 -20.578 8.418 62 H ASP 9 HN ASP 9 12.278 -22.832 9.776 63 HA ASP 9 HA ASP 9 10.105 -22.864 7.959 64 HB2 ASP 9 HB2 ASP 9 11.642 -24.781 8.144 65 HB3 ASP 9 HB1 ASP 9 11.089 -25.077 9.789 66 H ALA 10 HN ALA 10 10.318 -22.890 11.399 67 HA ALA 10 HA ALA 10 7.603 -23.565 11.948 68 HB1 ALA 10 HB1 ALA 10 9.508 -21.994 13.706 69 HB2 ALA 10 HB2 ALA 10 9.363 -23.754 13.681 70 HB3 ALA 10 HB3 ALA 10 8.007 -22.765 14.213 71 H GLU 11 HN GLU 11 9.333 -20.580 11.388 72 HA GLU 11 HA GLU 11 7.234 -18.767 11.947 73 HB2 GLU 11 HB2 GLU 11 9.593 -18.033 11.646 74 HB3 GLU 11 HB1 GLU 11 9.507 -18.469 9.943 75 HG2 GLU 11 HG2 GLU 11 9.294 -16.115 10.129 76 HG3 GLU 11 HG1 GLU 11 7.725 -16.769 9.665 77 H LEU 12 HN LEU 12 8.235 -20.448 9.020 78 HA LEU 12 HA LEU 12 6.349 -19.488 7.213 79 HB2 LEU 12 HB2 LEU 12 7.748 -22.144 7.441 80 HB3 LEU 12 HB1 LEU 12 6.481 -21.928 6.264 81 HG LEU 12 HG LEU 12 7.729 -20.327 5.036 82 HD11 LEU 12 HD11 LEU 12 9.733 -20.315 7.283 83 HD12 LEU 12 HD12 LEU 12 8.615 -19.012 6.882 84 HD13 LEU 12 HD13 LEU 12 9.890 -19.460 5.750 85 HD21 LEU 12 HD21 LEU 12 8.396 -22.636 4.688 86 HD22 LEU 12 HD22 LEU 12 9.582 -22.499 5.986 87 HD23 LEU 12 HD23 LEU 12 9.778 -21.554 4.508 88 H GLN 13 HN GLN 13 6.067 -22.221 9.447 89 HA GLN 13 HA GLN 13 3.371 -22.887 8.810 90 HB2 GLN 13 HB2 GLN 13 4.744 -24.506 9.999 91 HB3 GLN 13 HB1 GLN 13 4.989 -23.388 11.334 92 HG2 GLN 13 HG2 GLN 13 3.424 -25.096 11.960 93 HG3 GLN 13 HG1 GLN 13 2.608 -23.538 11.881 94 HE21 GLN 13 HE21 GLN 13 1.104 -23.167 10.269 95 HE22 GLN 13 HE22 GLN 13 0.426 -24.451 9.324 96 H ARG 14 HN ARG 14 4.834 -20.846 11.210 97 HA ARG 14 HA ARG 14 2.662 -20.053 12.749 98 HB2 ARG 14 HB2 ARG 14 4.999 -19.571 13.316 99 HB3 ARG 14 HB1 ARG 14 5.122 -18.475 11.951 100 HG2 ARG 14 HG2 ARG 14 3.795 -16.863 13.015 101 HG3 ARG 14 HG1 ARG 14 3.241 -18.014 14.243 102 HD2 ARG 14 HD2 ARG 14 5.397 -18.157 15.214 103 HD3 ARG 14 HD1 ARG 14 6.138 -17.302 13.867 104 HE ARG 14 HE ARG 14 5.421 -15.299 14.752 105 HH11 ARG 14 HH11 ARG 14 4.080 -17.945 16.591 106 HH12 ARG 14 HH12 ARG 14 3.847 -17.026 18.031 107 HH21 ARG 14 HH21 ARG 14 5.180 -14.047 16.656 108 HH22 ARG 14 HH22 ARG 14 4.478 -14.763 18.065 109 H LEU 15 HN LEU 15 3.730 -18.850 9.638 110 HA LEU 15 HA LEU 15 1.549 -16.913 9.544 111 HB2 LEU 15 HB2 LEU 15 3.567 -17.606 7.422 112 HB3 LEU 15 HB1 LEU 15 2.472 -16.236 7.411 113 HG LEU 15 HG LEU 15 4.759 -16.681 9.312 114 HD11 LEU 15 HD11 LEU 15 5.740 -14.746 8.210 115 HD12 LEU 15 HD12 LEU 15 4.358 -14.658 7.118 116 HD13 LEU 15 HD13 LEU 15 5.438 -16.050 7.066 117 HD21 LEU 15 HD21 LEU 15 2.839 -14.359 9.130 118 HD22 LEU 15 HD22 LEU 15 4.220 -14.487 10.219 119 HD23 LEU 15 HD23 LEU 15 2.852 -15.576 10.402 120 H LYS 16 HN LYS 16 2.509 -19.924 8.110 121 HA LYS 16 HA LYS 16 0.927 -20.187 5.901 122 HB2 LYS 16 HB2 LYS 16 2.678 -21.833 6.721 123 HB3 LYS 16 HB1 LYS 16 1.423 -22.522 7.742 124 HG2 LYS 16 HG2 LYS 16 1.757 -23.774 5.662 125 HG3 LYS 16 HG1 LYS 16 0.122 -23.123 5.801 126 HD2 LYS 16 HD2 LYS 16 1.073 -22.852 3.530 127 HD3 LYS 16 HD1 LYS 16 0.670 -21.312 4.284 128 HE2 LYS 16 HE2 LYS 16 3.052 -21.063 4.938 129 HE3 LYS 16 HE1 LYS 16 3.415 -22.555 4.069 130 HZ1 LYS 16 HZ1 LYS 16 2.643 -21.491 2.034 131 HZ2 LYS 16 HZ2 LYS 16 3.903 -20.616 2.740 132 HZ3 LYS 16 HZ3 LYS 16 2.314 -20.062 2.887 133 H ASN 17 HN ASN 17 -0.240 -20.357 9.171 134 HA ASN 17 HA ASN 17 -2.638 -21.768 8.596 135 HB2 ASN 17 HB2 ASN 17 -3.492 -20.839 10.748 136 HB3 ASN 17 HB1 ASN 17 -1.931 -21.640 10.888 137 HD21 ASN 17 HD21 ASN 17 -0.171 -20.488 11.444 138 HD22 ASN 17 HD22 ASN 17 -0.223 -18.832 11.936 139 H GLU 18 HN GLU 18 -1.695 -18.811 7.458 140 HA GLU 18 HA GLU 18 -2.773 -17.424 6.027 141 HB2 GLU 18 HB2 GLU 18 -4.285 -19.364 5.549 142 HB3 GLU 18 HB1 GLU 18 -5.358 -18.776 6.807 143 HG2 GLU 18 HG2 GLU 18 -5.741 -16.737 5.565 144 HG3 GLU 18 HG1 GLU 18 -4.594 -17.251 4.328 145 H ARG 19 HN ARG 19 -1.978 -16.179 8.171 146 HA ARG 19 HA ARG 19 -4.315 -14.863 9.336 147 HB2 ARG 19 HB2 ARG 19 -2.897 -16.289 10.886 148 HB3 ARG 19 HB1 ARG 19 -1.623 -15.093 10.671 149 HG2 ARG 19 HG2 ARG 19 -2.889 -13.401 11.701 150 HG3 ARG 19 HG1 ARG 19 -4.375 -14.343 11.603 151 HD2 ARG 19 HD2 ARG 19 -3.711 -14.488 13.845 152 HD3 ARG 19 HD1 ARG 19 -3.230 -16.016 13.126 153 HE ARG 19 HE ARG 19 -0.941 -15.066 13.012 154 HH11 ARG 19 HH11 ARG 19 -3.257 -13.738 15.312 155 HH12 ARG 19 HH12 ARG 19 -2.047 -13.234 16.435 156 HH21 ARG 19 HH21 ARG 19 0.659 -14.405 14.519 157 HH22 ARG 19 HH22 ARG 19 0.189 -13.613 15.990 158 H HIS 20 HN HIS 20 -3.751 -13.703 7.065 159 HA HIS 20 HA HIS 20 -3.555 -11.676 6.196 160 HB2 HIS 20 HB2 HIS 20 -2.363 -10.895 8.861 161 HB3 HIS 20 HB1 HIS 20 -2.620 -9.765 7.538 162 HD2 HIS 20 HD2 HIS 20 -5.476 -9.580 6.814 163 HE1 HIS 20 HE1 HIS 20 -6.670 -10.573 10.757 164 HE2 HIS 20 HE2 HIS 20 -7.434 -9.874 8.469 165 H GLU 21 HN GLU 21 -0.662 -12.504 7.966 166 HA GLU 21 HA GLU 21 0.944 -11.161 5.962 167 HB2 GLU 21 HB2 GLU 21 1.593 -11.089 8.359 168 HB3 GLU 21 HB1 GLU 21 1.947 -12.809 8.290 169 HG2 GLU 21 HG2 GLU 21 3.890 -12.504 7.177 170 HG3 GLU 21 HG1 GLU 21 3.284 -11.114 6.279 171 H GLU 22 HN GLU 22 -0.251 -14.283 6.383 172 HA GLU 22 HA GLU 22 1.706 -15.776 4.977 173 HB2 GLU 22 HB2 GLU 22 0.014 -16.991 6.198 174 HB3 GLU 22 HB1 GLU 22 -1.276 -16.226 5.281 175 HG2 GLU 22 HG2 GLU 22 -0.853 -18.580 4.666 176 HG3 GLU 22 HG1 GLU 22 -0.715 -17.453 3.323 177 H ALA 23 HN ALA 23 -1.199 -14.066 3.907 178 HA ALA 23 HA ALA 23 -0.924 -14.680 1.166 179 HB1 ALA 23 HB1 ALA 23 -2.487 -12.848 0.752 180 HB2 ALA 23 HB2 ALA 23 -2.276 -12.264 2.399 181 HB3 ALA 23 HB3 ALA 23 -3.040 -13.831 2.106 182 H GLU 24 HN GLU 24 0.306 -12.057 3.154 183 HA GLU 24 HA GLU 24 1.424 -10.546 1.045 184 HB2 GLU 24 HB2 GLU 24 2.224 -10.652 3.961 185 HB3 GLU 24 HB1 GLU 24 2.744 -9.432 2.809 186 HG2 GLU 24 HG2 GLU 24 0.424 -8.732 2.503 187 HG3 GLU 24 HG1 GLU 24 -0.090 -9.944 3.674 188 H LEU 25 HN LEU 25 2.716 -13.104 3.123 189 HA LEU 25 HA LEU 25 5.350 -13.001 2.099 190 HB2 LEU 25 HB2 LEU 25 4.831 -14.090 4.225 191 HB3 LEU 25 HB1 LEU 25 3.868 -15.293 3.391 192 HG LEU 25 HG LEU 25 5.919 -16.089 2.236 193 HD11 LEU 25 HD11 LEU 25 8.106 -15.388 3.091 194 HD12 LEU 25 HD12 LEU 25 7.318 -14.162 4.086 195 HD13 LEU 25 HD13 LEU 25 7.239 -14.057 2.327 196 HD21 LEU 25 HD21 LEU 25 6.855 -17.245 4.152 197 HD22 LEU 25 HD22 LEU 25 5.097 -17.166 4.289 198 HD23 LEU 25 HD23 LEU 25 6.110 -16.081 5.242 199 H GLU 26 HN GLU 26 2.518 -14.974 1.263 200 HA GLU 26 HA GLU 26 3.770 -16.519 -0.717 201 HB2 GLU 26 HB2 GLU 26 1.550 -17.020 0.280 202 HB3 GLU 26 HB1 GLU 26 0.875 -15.665 -0.615 203 HG2 GLU 26 HG2 GLU 26 1.466 -16.755 -2.715 204 HG3 GLU 26 HG1 GLU 26 2.145 -18.109 -1.817 205 H ARG 27 HN ARG 27 2.161 -13.397 -0.842 206 HA ARG 27 HA ARG 27 2.310 -13.014 -3.652 207 HB2 ARG 27 HB2 ARG 27 0.898 -11.592 -2.173 208 HB3 ARG 27 HB1 ARG 27 2.355 -10.892 -1.479 209 HG2 ARG 27 HG2 ARG 27 2.826 -10.377 -4.053 210 HG3 ARG 27 HG1 ARG 27 1.060 -10.397 -4.084 211 HD2 ARG 27 HD2 ARG 27 1.749 -8.156 -3.655 212 HD3 ARG 27 HD1 ARG 27 1.095 -8.809 -2.152 213 HE ARG 27 HE ARG 27 4.001 -8.654 -2.710 214 HH11 ARG 27 HH11 ARG 27 1.265 -8.174 -0.543 215 HH12 ARG 27 HH12 ARG 27 2.250 -7.656 0.779 216 HH21 ARG 27 HH21 ARG 27 5.290 -7.979 -0.935 217 HH22 ARG 27 HH22 ARG 27 4.540 -7.561 0.570 218 H LEU 28 HN LEU 28 4.446 -12.176 -0.987 219 HA LEU 28 HA LEU 28 6.399 -10.797 -2.495 220 HB2 LEU 28 HB2 LEU 28 6.197 -10.670 -0.016 221 HB3 LEU 28 HB1 LEU 28 6.767 -12.328 0.093 222 HG LEU 28 HG LEU 28 8.917 -11.617 -0.888 223 HD11 LEU 28 HD11 LEU 28 9.413 -9.216 -1.007 224 HD12 LEU 28 HD12 LEU 28 7.721 -8.860 -0.661 225 HD13 LEU 28 HD13 LEU 28 8.160 -9.695 -2.152 226 HD21 LEU 28 HD21 LEU 28 8.619 -11.763 1.532 227 HD22 LEU 28 HD22 LEU 28 8.052 -10.094 1.567 228 HD23 LEU 28 HD23 LEU 28 9.716 -10.450 1.103 229 H LYS 29 HN LYS 29 6.084 -14.144 -1.487 230 HA LYS 29 HA LYS 29 8.455 -15.174 -2.575 231 HB2 LYS 29 HB2 LYS 29 7.054 -16.477 -1.040 232 HB3 LYS 29 HB1 LYS 29 5.754 -16.514 -2.224 233 HG2 LYS 29 HG2 LYS 29 7.148 -17.852 -3.702 234 HG3 LYS 29 HG1 LYS 29 8.448 -17.813 -2.510 235 HD2 LYS 29 HD2 LYS 29 7.033 -18.954 -0.899 236 HD3 LYS 29 HD1 LYS 29 5.691 -18.944 -2.041 237 HE2 LYS 29 HE2 LYS 29 6.835 -21.117 -1.966 238 HE3 LYS 29 HE1 LYS 29 6.936 -20.365 -3.558 239 HZ1 LYS 29 HZ1 LYS 29 9.075 -20.253 -1.510 240 HZ2 LYS 29 HZ2 LYS 29 9.166 -19.686 -3.102 241 HZ3 LYS 29 HZ3 LYS 29 9.043 -21.339 -2.805 242 H SER 30 HN SER 30 5.339 -14.543 -3.977 243 HA SER 30 HA SER 30 5.838 -15.727 -6.520 244 HB2 SER 30 HB2 SER 30 3.526 -15.257 -5.752 245 HB3 SER 30 HB1 SER 30 3.863 -13.527 -5.792 246 HG SER 30 HG SER 30 3.006 -13.806 -7.708 247 H GLU 31 HN GLU 31 6.176 -12.467 -5.213 248 HA GLU 31 HA GLU 31 6.945 -11.227 -7.630 249 HB2 GLU 31 HB2 GLU 31 7.523 -10.422 -4.773 250 HB3 GLU 31 HB1 GLU 31 7.773 -9.396 -6.177 251 HG2 GLU 31 HG2 GLU 31 5.357 -9.529 -6.663 252 HG3 GLU 31 HG1 GLU 31 5.140 -10.480 -5.198 253 H ARG 32 HN ARG 32 8.932 -12.263 -4.831 254 HA ARG 32 HA ARG 32 11.072 -12.951 -6.679 255 HB2 ARG 32 HB2 ARG 32 11.426 -11.024 -4.381 256 HB3 ARG 32 HB1 ARG 32 12.763 -11.837 -5.178 257 HG2 ARG 32 HG2 ARG 32 11.870 -10.783 -7.334 258 HG3 ARG 32 HG1 ARG 32 10.924 -9.742 -6.267 259 HD2 ARG 32 HD2 ARG 32 13.009 -8.661 -6.872 260 HD3 ARG 32 HD1 ARG 32 12.989 -9.035 -5.147 261 HE ARG 32 HE ARG 32 14.223 -11.075 -6.753 262 HH11 ARG 32 HH11 ARG 32 14.776 -8.022 -5.105 263 HH12 ARG 32 HH12 ARG 32 16.471 -8.298 -4.893 264 HH21 ARG 32 HH21 ARG 32 16.493 -11.440 -6.473 265 HH22 ARG 32 HH22 ARG 32 17.442 -10.243 -5.668 266 H HIS 33 HN HIS 33 11.591 -14.976 -6.228 267 HA HIS 33 HA HIS 33 10.863 -16.251 -3.799 268 HB2 HIS 33 HB2 HIS 33 12.038 -18.229 -4.649 269 HB3 HIS 33 HB1 HIS 33 11.034 -17.517 -5.900 270 HD2 HIS 33 HD2 HIS 33 12.350 -17.053 -8.241 271 HE1 HIS 33 HE1 HIS 33 16.305 -17.468 -6.786 272 HE2 HIS 33 HE2 HIS 33 14.870 -16.990 -8.791 273 H ASP 34 HN ASP 34 13.614 -14.459 -4.727 274 HA ASP 34 HA ASP 34 15.506 -15.528 -2.902 275 HB2 ASP 34 HB2 ASP 34 15.363 -12.718 -4.031 276 HB3 ASP 34 HB1 ASP 34 16.777 -13.491 -3.323 277 H HIS 35 HN HIS 35 13.217 -12.877 -2.782 278 HA HIS 35 HA HIS 35 13.968 -12.034 -0.151 279 HB2 HIS 35 HB2 HIS 35 12.818 -10.571 -1.933 280 HB3 HIS 35 HB1 HIS 35 11.326 -11.390 -1.486 281 HD2 HIS 35 HD2 HIS 35 12.959 -10.893 1.796 282 HE1 HIS 35 HE1 HIS 35 10.963 -7.228 1.059 283 HE2 HIS 35 HE2 HIS 35 11.796 -8.812 2.814 284 H ASP 36 HN ASP 36 11.911 -14.431 -1.448 285 HA ASP 36 HA ASP 36 10.095 -14.890 0.628 286 HB2 ASP 36 HB2 ASP 36 9.769 -16.134 -1.386 287 HB3 ASP 36 HB1 ASP 36 11.387 -16.817 -1.328 288 H LYS 37 HN LYS 37 13.307 -16.370 0.188 289 HA LYS 37 HA LYS 37 13.211 -17.574 2.802 290 HB2 LYS 37 HB2 LYS 37 15.505 -17.324 0.846 291 HB3 LYS 37 HB1 LYS 37 15.557 -18.241 2.341 292 HG2 LYS 37 HG2 LYS 37 13.751 -18.776 -0.002 293 HG3 LYS 37 HG1 LYS 37 15.184 -19.702 0.453 294 HD2 LYS 37 HD2 LYS 37 14.114 -20.276 2.591 295 HD3 LYS 37 HD1 LYS 37 12.677 -19.377 2.102 296 HE2 LYS 37 HE2 LYS 37 13.817 -21.834 0.789 297 HE3 LYS 37 HE1 LYS 37 12.313 -21.716 1.700 298 HZ1 LYS 37 HZ1 LYS 37 11.553 -20.090 -0.008 299 HZ2 LYS 37 HZ2 LYS 37 11.769 -21.667 -0.585 300 HZ3 LYS 37 HZ3 LYS 37 12.922 -20.483 -0.923 301 H LYS 38 HN LYS 38 14.701 -14.781 1.341 302 HA LYS 38 HA LYS 38 16.401 -14.090 3.474 303 HB2 LYS 38 HB2 LYS 38 16.578 -13.101 1.199 304 HB3 LYS 38 HB1 LYS 38 15.102 -12.194 1.505 305 HG2 LYS 38 HG2 LYS 38 17.091 -10.829 1.775 306 HG3 LYS 38 HG1 LYS 38 16.197 -10.976 3.289 307 HD2 LYS 38 HD2 LYS 38 17.766 -12.591 4.124 308 HD3 LYS 38 HD1 LYS 38 18.582 -12.674 2.562 309 HE2 LYS 38 HE2 LYS 38 18.419 -10.225 4.315 310 HE3 LYS 38 HE1 LYS 38 19.807 -11.307 4.211 311 HZ1 LYS 38 HZ1 LYS 38 20.007 -10.760 1.864 312 HZ2 LYS 38 HZ2 LYS 38 20.093 -9.360 2.813 313 HZ3 LYS 38 HZ3 LYS 38 18.678 -9.721 1.972 314 H GLU 39 HN GLU 39 13.017 -13.278 2.861 315 HA GLU 39 HA GLU 39 12.882 -11.506 5.129 316 HB2 GLU 39 HB2 GLU 39 11.362 -11.355 3.083 317 HB3 GLU 39 HB1 GLU 39 10.505 -12.747 3.740 318 HG2 GLU 39 HG2 GLU 39 9.362 -10.722 4.329 319 HG3 GLU 39 HG1 GLU 39 10.038 -11.467 5.778 320 H ALA 40 HN ALA 40 11.926 -14.818 4.416 321 HA ALA 40 HA ALA 40 10.629 -15.408 6.827 322 HB1 ALA 40 HB1 ALA 40 10.585 -16.955 4.913 323 HB2 ALA 40 HB2 ALA 40 11.130 -17.761 6.380 324 HB3 ALA 40 HB3 ALA 40 12.303 -17.298 5.151 325 H GLU 41 HN GLU 41 14.026 -15.600 5.950 326 HA GLU 41 HA GLU 41 14.952 -16.601 8.430 327 HB2 GLU 41 HB2 GLU 41 16.323 -16.741 6.401 328 HB3 GLU 41 HB1 GLU 41 16.441 -14.990 6.330 329 HG2 GLU 41 HG2 GLU 41 17.719 -14.966 8.373 330 HG3 GLU 41 HG1 GLU 41 17.530 -16.711 8.539 331 H ARG 42 HN ARG 42 14.802 -13.296 7.140 332 HA ARG 42 HA ARG 42 15.885 -12.017 9.408 333 HB2 ARG 42 HB2 ARG 42 15.734 -10.834 7.278 334 HB3 ARG 42 HB1 ARG 42 13.977 -10.900 7.330 335 HG2 ARG 42 HG2 ARG 42 13.880 -9.383 9.134 336 HG3 ARG 42 HG1 ARG 42 15.615 -9.503 9.419 337 HD2 ARG 42 HD2 ARG 42 15.144 -7.427 8.307 338 HD3 ARG 42 HD1 ARG 42 16.011 -8.490 7.206 339 HE ARG 42 HE ARG 42 13.258 -8.813 6.751 340 HH11 ARG 42 HH11 ARG 42 15.768 -6.386 6.393 341 HH12 ARG 42 HH12 ARG 42 14.998 -5.577 5.076 342 HH21 ARG 42 HH21 ARG 42 12.223 -7.745 4.989 343 HH22 ARG 42 HH22 ARG 42 12.968 -6.353 4.274 344 H LYS 43 HN LYS 43 12.534 -12.617 8.497 345 HA LYS 43 HA LYS 43 11.355 -11.361 10.731 346 HB2 LYS 43 HB2 LYS 43 10.044 -11.875 8.740 347 HB3 LYS 43 HB1 LYS 43 10.282 -13.599 8.997 348 HG2 LYS 43 HG2 LYS 43 8.985 -13.491 11.035 349 HG3 LYS 43 HG1 LYS 43 8.785 -11.750 10.828 350 HD2 LYS 43 HD2 LYS 43 7.515 -12.058 8.835 351 HD3 LYS 43 HD1 LYS 43 7.894 -13.781 8.794 352 HE2 LYS 43 HE2 LYS 43 5.644 -13.416 9.596 353 HE3 LYS 43 HE1 LYS 43 6.648 -14.095 10.875 354 HZ1 LYS 43 HZ1 LYS 43 6.938 -11.667 11.569 355 HZ2 LYS 43 HZ2 LYS 43 5.464 -12.421 11.894 356 HZ3 LYS 43 HZ3 LYS 43 5.593 -11.365 10.573 357 H ALA 44 HN ALA 44 12.366 -14.700 10.190 358 HA ALA 44 HA ALA 44 11.372 -15.745 12.619 359 HB1 ALA 44 HB1 ALA 44 13.737 -16.756 11.025 360 HB2 ALA 44 HB2 ALA 44 12.049 -17.209 10.760 361 HB3 ALA 44 HB3 ALA 44 12.854 -17.644 12.263 362 H LEU 45 HN LEU 45 14.203 -13.906 11.889 363 HA LEU 45 HA LEU 45 15.325 -14.480 14.509 364 HB2 LEU 45 HB2 LEU 45 16.363 -13.017 12.107 365 HB3 LEU 45 HB1 LEU 45 17.003 -12.595 13.674 366 HG LEU 45 HG LEU 45 17.823 -14.838 14.017 367 HD11 LEU 45 HD11 LEU 45 16.707 -15.514 11.308 368 HD12 LEU 45 HD12 LEU 45 16.016 -16.025 12.847 369 HD13 LEU 45 HD13 LEU 45 17.623 -16.576 12.379 370 HD21 LEU 45 HD21 LEU 45 19.493 -14.927 12.233 371 HD22 LEU 45 HD22 LEU 45 19.255 -13.281 12.821 372 HD23 LEU 45 HD23 LEU 45 18.542 -13.783 11.288 373 H GLU 46 HN GLU 46 13.232 -12.272 13.124 374 HA GLU 46 HA GLU 46 13.791 -10.158 15.025 375 HB2 GLU 46 HB2 GLU 46 13.052 -9.670 12.674 376 HB3 GLU 46 HB1 GLU 46 11.487 -10.366 13.069 377 HG2 GLU 46 HG2 GLU 46 11.281 -8.017 13.212 378 HG3 GLU 46 HG1 GLU 46 11.264 -8.645 14.858 379 H ASP 47 HN ASP 47 11.196 -12.472 14.363 380 HA ASP 47 HA ASP 47 10.155 -11.919 17.078 381 HB2 ASP 47 HB2 ASP 47 8.768 -11.103 15.083 382 HB3 ASP 47 HB1 ASP 47 8.419 -12.799 14.784 383 H LYS 48 HN LYS 48 11.072 -14.373 14.761 384 HA LYS 48 HA LYS 48 10.826 -16.577 14.619 385 HB2 LYS 48 HB2 LYS 48 12.715 -16.332 16.106 386 HB3 LYS 48 HB1 LYS 48 11.707 -16.405 17.529 387 HG2 LYS 48 HG2 LYS 48 11.063 -18.709 16.914 388 HG3 LYS 48 HG1 LYS 48 12.099 -18.601 15.491 389 HD2 LYS 48 HD2 LYS 48 12.971 -18.449 18.376 390 HD3 LYS 48 HD1 LYS 48 13.237 -19.794 17.270 391 HE2 LYS 48 HE2 LYS 48 14.362 -17.008 16.958 392 HE3 LYS 48 HE1 LYS 48 15.248 -18.412 17.540 393 HZ1 LYS 48 HZ1 LYS 48 14.960 -19.467 15.403 394 HZ2 LYS 48 HZ2 LYS 48 15.681 -17.954 15.209 395 HZ3 LYS 48 HZ3 LYS 48 14.047 -18.154 14.833 396 H LEU 49 HN LEU 49 9.632 -16.664 17.996 397 HA LEU 49 HA LEU 49 7.032 -17.549 17.009 398 HB2 LEU 49 HB2 LEU 49 8.774 -19.098 18.935 399 HB3 LEU 49 HB1 LEU 49 7.086 -19.445 18.634 400 HG LEU 49 HG LEU 49 9.251 -19.611 16.533 401 HD11 LEU 49 HD11 LEU 49 7.938 -21.799 18.135 402 HD12 LEU 49 HD12 LEU 49 9.614 -21.269 18.276 403 HD13 LEU 49 HD13 LEU 49 9.053 -22.031 16.789 404 HD21 LEU 49 HD21 LEU 49 7.540 -20.868 15.282 405 HD22 LEU 49 HD22 LEU 49 7.065 -19.200 15.587 406 HD23 LEU 49 HD23 LEU 49 6.370 -20.504 16.550 407 H ALA 50 HN ALA 50 8.364 -15.261 18.562 408 HA ALA 50 HA ALA 50 7.503 -15.382 21.250 409 HB1 ALA 50 HB1 ALA 50 8.006 -12.939 19.556 410 HB2 ALA 50 HB2 ALA 50 9.224 -13.827 20.470 411 HB3 ALA 50 HB3 ALA 50 7.925 -12.988 21.317 412 H ASP 51 HN ASP 51 5.451 -15.707 21.779 413 HA ASP 51 HA ASP 51 3.463 -13.914 20.582 414 HB2 ASP 51 HB2 ASP 51 1.762 -15.642 20.668 415 HB3 ASP 51 HB1 ASP 51 3.138 -16.242 19.757 416 H TYR 52 HN TYR 52 2.576 -12.620 21.952 417 HA TYR 52 HA TYR 52 1.490 -13.212 24.422 418 HB2 TYR 52 HB2 TYR 52 3.823 -13.551 25.193 419 HB3 TYR 52 HB1 TYR 52 4.226 -11.921 24.670 420 HD1 TYR 52 HD1 TYR 52 1.907 -13.754 26.936 421 HD2 TYR 52 HD2 TYR 52 4.055 -10.158 26.198 422 HE1 TYR 52 HE1 TYR 52 1.236 -12.906 29.142 423 HE2 TYR 52 HE2 TYR 52 3.389 -9.301 28.404 424 HH TYR 52 HH TYR 52 1.563 -9.680 30.054 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 15.204 -17.053 6.069 2 H2 GLY 1 HT2 GLY 1 16.613 -17.953 5.858 3 H3 GLY 1 HT3 GLY 1 16.675 -16.465 6.661 4 HA2 GLY 1 HA1 GLY 1 16.791 -18.303 8.228 5 HA3 GLY 1 HA2 GLY 1 15.331 -17.352 8.456 6 H SER 2 HN SER 2 16.536 -20.204 6.700 7 HA SER 2 HA SER 2 13.952 -21.287 6.225 8 HB2 SER 2 HB2 SER 2 16.625 -22.697 6.177 9 HB3 SER 2 HB1 SER 2 15.142 -23.214 5.374 10 HG SER 2 HG SER 2 15.327 -21.031 4.300 11 H VAL 3 HN VAL 3 16.132 -21.413 8.902 12 HA VAL 3 HA VAL 3 15.121 -23.866 9.998 13 HB VAL 3 HB VAL 3 17.420 -23.196 10.436 14 HG11 VAL 3 HG11 VAL 3 18.013 -21.389 11.947 15 HG12 VAL 3 HG12 VAL 3 16.317 -20.933 12.090 16 HG13 VAL 3 HG13 VAL 3 17.142 -20.770 10.543 17 HG21 VAL 3 HG21 VAL 3 15.772 -23.302 12.962 18 HG22 VAL 3 HG22 VAL 3 17.495 -23.663 12.836 19 HG23 VAL 3 HG23 VAL 3 16.318 -24.687 12.016 20 H GLU 4 HN GLU 4 12.739 -22.869 9.709 21 HA GLU 4 HA GLU 4 10.796 -22.298 10.713 22 HB2 GLU 4 HB2 GLU 4 12.400 -22.522 13.259 23 HB3 GLU 4 HB1 GLU 4 10.650 -22.397 13.174 24 HG2 GLU 4 HG2 GLU 4 12.306 -24.637 12.038 25 HG3 GLU 4 HG1 GLU 4 11.391 -24.690 13.543 26 H LYS 5 HN LYS 5 12.991 -20.287 10.077 27 HA LYS 5 HA LYS 5 13.386 -18.058 10.208 28 HB2 LYS 5 HB2 LYS 5 10.537 -17.820 11.163 29 HB3 LYS 5 HB1 LYS 5 11.489 -16.608 10.324 30 HG2 LYS 5 HG2 LYS 5 11.535 -18.203 8.356 31 HG3 LYS 5 HG1 LYS 5 10.302 -19.133 9.213 32 HD2 LYS 5 HD2 LYS 5 9.069 -16.865 9.396 33 HD3 LYS 5 HD1 LYS 5 10.141 -16.361 8.091 34 HE2 LYS 5 HE2 LYS 5 8.131 -17.129 7.086 35 HE3 LYS 5 HE1 LYS 5 9.352 -18.371 6.808 36 HZ1 LYS 5 HZ1 LYS 5 8.428 -19.683 8.571 37 HZ2 LYS 5 HZ2 LYS 5 7.179 -19.260 7.519 38 HZ3 LYS 5 HZ3 LYS 5 7.349 -18.450 9.003 39 H LEU 6 HN LEU 6 14.275 -19.484 12.415 40 HA LEU 6 HA LEU 6 15.170 -19.134 14.453 41 HB2 LEU 6 HB2 LEU 6 13.813 -16.435 14.384 42 HB3 LEU 6 HB1 LEU 6 15.056 -16.932 15.513 43 HG LEU 6 HG LEU 6 15.440 -16.619 12.535 44 HD11 LEU 6 HD11 LEU 6 16.750 -14.649 13.110 45 HD12 LEU 6 HD12 LEU 6 16.347 -14.867 14.813 46 HD13 LEU 6 HD13 LEU 6 15.080 -14.482 13.648 47 HD21 LEU 6 HD21 LEU 6 16.908 -18.317 13.487 48 HD22 LEU 6 HD22 LEU 6 17.424 -17.187 14.739 49 HD23 LEU 6 HD23 LEU 6 17.824 -16.875 13.050 50 H THR 7 HN THR 7 12.306 -20.023 13.885 51 HA THR 7 HA THR 7 10.558 -20.888 14.964 52 HB THR 7 HB THR 7 10.768 -21.586 17.351 53 HG1 THR 7 HG1 THR 7 12.840 -19.786 17.292 54 HG21 THR 7 HG21 THR 7 13.148 -22.220 15.608 55 HG22 THR 7 HG22 THR 7 11.582 -23.029 15.560 56 HG23 THR 7 HG23 THR 7 12.605 -23.169 16.991 57 H ALA 8 HN ALA 8 11.477 -17.783 15.721 58 HA ALA 8 HA ALA 8 9.399 -17.181 17.612 59 HB1 ALA 8 HB1 ALA 8 10.027 -14.856 17.338 60 HB2 ALA 8 HB2 ALA 8 10.990 -15.243 15.917 61 HB3 ALA 8 HB3 ALA 8 11.477 -15.841 17.507 62 H ASP 9 HN ASP 9 9.725 -17.129 14.161 63 HA ASP 9 HA ASP 9 7.566 -15.450 13.497 64 HB2 ASP 9 HB2 ASP 9 9.163 -16.029 11.783 65 HB3 ASP 9 HB1 ASP 9 8.776 -17.740 11.939 66 H ALA 10 HN ALA 10 7.671 -18.975 13.793 67 HA ALA 10 HA ALA 10 4.979 -19.400 13.099 68 HB1 ALA 10 HB1 ALA 10 5.225 -21.635 13.994 69 HB2 ALA 10 HB2 ALA 10 6.697 -21.174 14.840 70 HB3 ALA 10 HB3 ALA 10 6.662 -21.202 13.073 71 H GLU 11 HN GLU 11 6.445 -18.451 16.079 72 HA GLU 11 HA GLU 11 4.175 -19.175 17.702 73 HB2 GLU 11 HB2 GLU 11 6.489 -19.087 18.642 74 HB3 GLU 11 HB1 GLU 11 6.495 -17.344 18.436 75 HG2 GLU 11 HG2 GLU 11 6.032 -17.895 20.715 76 HG3 GLU 11 HG1 GLU 11 4.597 -17.184 19.982 77 H LEU 12 HN LEU 12 5.572 -16.090 16.622 78 HA LEU 12 HA LEU 12 3.431 -14.491 17.455 79 HB2 LEU 12 HB2 LEU 12 4.303 -12.781 15.921 80 HB3 LEU 12 HB1 LEU 12 5.561 -13.502 16.895 81 HG LEU 12 HG LEU 12 5.899 -14.997 14.706 82 HD11 LEU 12 HD11 LEU 12 4.026 -14.052 13.504 83 HD12 LEU 12 HD12 LEU 12 5.565 -13.765 12.695 84 HD13 LEU 12 HD13 LEU 12 4.779 -12.457 13.586 85 HD21 LEU 12 HD21 LEU 12 7.587 -13.616 15.755 86 HD22 LEU 12 HD22 LEU 12 6.885 -12.176 15.016 87 HD23 LEU 12 HD23 LEU 12 7.603 -13.432 14.005 88 H GLN 13 HN GLN 13 3.961 -16.296 14.519 89 HA GLN 13 HA GLN 13 1.811 -15.383 12.975 90 HB2 GLN 13 HB2 GLN 13 3.537 -16.829 12.021 91 HB3 GLN 13 HB1 GLN 13 3.045 -18.155 13.067 92 HG2 GLN 13 HG2 GLN 13 0.913 -18.262 11.940 93 HG3 GLN 13 HG1 GLN 13 1.379 -16.917 10.900 94 HE21 GLN 13 HE21 GLN 13 1.912 -20.265 11.672 95 HE22 GLN 13 HE22 GLN 13 2.753 -20.670 10.218 96 H ARG 14 HN ARG 14 1.899 -17.669 15.624 97 HA ARG 14 HA ARG 14 -0.710 -18.721 15.347 98 HB2 ARG 14 HB2 ARG 14 0.952 -18.320 17.843 99 HB3 ARG 14 HB1 ARG 14 -0.542 -19.239 17.777 100 HG2 ARG 14 HG2 ARG 14 0.443 -20.860 16.329 101 HG3 ARG 14 HG1 ARG 14 1.909 -19.889 16.170 102 HD2 ARG 14 HD2 ARG 14 2.240 -21.717 17.740 103 HD3 ARG 14 HD1 ARG 14 2.348 -20.158 18.553 104 HE ARG 14 HE ARG 14 -0.279 -21.249 18.685 105 HH11 ARG 14 HH11 ARG 14 2.910 -21.367 20.139 106 HH12 ARG 14 HH12 ARG 14 2.339 -22.031 21.631 107 HH21 ARG 14 HH21 ARG 14 -1.043 -22.100 20.668 108 HH22 ARG 14 HH22 ARG 14 0.082 -22.456 21.936 109 H LEU 15 HN LEU 15 0.570 -15.843 16.851 110 HA LEU 15 HA LEU 15 -1.959 -15.110 18.039 111 HB2 LEU 15 HB2 LEU 15 0.544 -13.472 17.686 112 HB3 LEU 15 HB1 LEU 15 -0.840 -13.024 18.659 113 HG LEU 15 HG LEU 15 1.033 -15.317 19.158 114 HD11 LEU 15 HD11 LEU 15 1.611 -14.047 21.178 115 HD12 LEU 15 HD12 LEU 15 0.567 -12.736 20.635 116 HD13 LEU 15 HD13 LEU 15 1.997 -13.169 19.699 117 HD21 LEU 15 HD21 LEU 15 -1.401 -14.425 20.702 118 HD22 LEU 15 HD22 LEU 15 -0.231 -15.621 21.256 119 HD23 LEU 15 HD23 LEU 15 -1.211 -15.946 19.827 120 H LYS 16 HN LYS 16 0.001 -13.995 15.309 121 HA LYS 16 HA LYS 16 -1.836 -12.001 14.500 122 HB2 LYS 16 HB2 LYS 16 0.270 -13.409 12.866 123 HB3 LYS 16 HB1 LYS 16 -0.608 -11.977 12.356 124 HG2 LYS 16 HG2 LYS 16 1.293 -12.190 14.685 125 HG3 LYS 16 HG1 LYS 16 1.567 -11.343 13.161 126 HD2 LYS 16 HD2 LYS 16 -0.327 -9.841 13.698 127 HD3 LYS 16 HD1 LYS 16 -0.506 -10.660 15.250 128 HE2 LYS 16 HE2 LYS 16 1.855 -9.050 14.292 129 HE3 LYS 16 HE1 LYS 16 0.740 -8.639 15.593 130 HZ1 LYS 16 HZ1 LYS 16 2.868 -10.682 15.548 131 HZ2 LYS 16 HZ2 LYS 16 1.563 -10.826 16.622 132 HZ3 LYS 16 HZ3 LYS 16 2.576 -9.478 16.704 133 H ASN 17 HN ASN 17 -1.991 -15.358 14.220 134 HA ASN 17 HA ASN 17 -3.743 -16.669 13.669 135 HB2 ASN 17 HB2 ASN 17 -5.025 -14.122 12.696 136 HB3 ASN 17 HB1 ASN 17 -5.808 -15.692 12.588 137 HD21 ASN 17 HD21 ASN 17 -6.359 -16.769 14.515 138 HD22 ASN 17 HD22 ASN 17 -6.564 -15.905 15.996 139 H GLU 18 HN GLU 18 -1.545 -15.620 11.671 140 HA GLU 18 HA GLU 18 -0.800 -16.363 9.599 141 HB2 GLU 18 HB2 GLU 18 -3.100 -18.318 9.811 142 HB3 GLU 18 HB1 GLU 18 -1.723 -18.447 8.732 143 HG2 GLU 18 HG2 GLU 18 -0.249 -18.847 10.534 144 HG3 GLU 18 HG1 GLU 18 -1.493 -18.454 11.722 145 H ARG 19 HN ARG 19 -2.631 -14.181 9.633 146 HA ARG 19 HA ARG 19 -4.463 -14.809 7.423 147 HB2 ARG 19 HB2 ARG 19 -5.377 -13.857 9.586 148 HB3 ARG 19 HB1 ARG 19 -4.619 -12.338 9.131 149 HG2 ARG 19 HG2 ARG 19 -6.171 -11.881 7.572 150 HG3 ARG 19 HG1 ARG 19 -6.327 -13.568 7.076 151 HD2 ARG 19 HD2 ARG 19 -7.481 -12.334 9.573 152 HD3 ARG 19 HD1 ARG 19 -8.382 -12.774 8.124 153 HE ARG 19 HE ARG 19 -7.455 -15.125 8.658 154 HH11 ARG 19 HH11 ARG 19 -8.414 -12.754 11.073 155 HH12 ARG 19 HH12 ARG 19 -8.864 -13.942 12.244 156 HH21 ARG 19 HH21 ARG 19 -8.009 -16.702 10.235 157 HH22 ARG 19 HH22 ARG 19 -8.620 -16.191 11.772 158 H HIS 20 HN HIS 20 -3.038 -11.692 8.356 159 HA HIS 20 HA HIS 20 -2.728 -10.874 5.647 160 HB2 HIS 20 HB2 HIS 20 -1.300 -9.734 8.062 161 HB3 HIS 20 HB1 HIS 20 -1.609 -8.921 6.533 162 HD2 HIS 20 HD2 HIS 20 -4.247 -7.941 6.226 163 HE1 HIS 20 HE1 HIS 20 -5.376 -8.684 10.245 164 HE2 HIS 20 HE2 HIS 20 -6.076 -7.703 8.043 165 H GLU 21 HN GLU 21 -0.783 -12.526 7.925 166 HA GLU 21 HA GLU 21 1.787 -12.101 6.964 167 HB2 GLU 21 HB2 GLU 21 0.782 -14.649 8.221 168 HB3 GLU 21 HB1 GLU 21 2.421 -14.017 8.233 169 HG2 GLU 21 HG2 GLU 21 1.704 -12.144 9.588 170 HG3 GLU 21 HG1 GLU 21 0.048 -12.749 9.560 171 H GLU 22 HN GLU 22 -0.495 -14.711 6.174 172 HA GLU 22 HA GLU 22 1.298 -16.046 4.436 173 HB2 GLU 22 HB2 GLU 22 -0.612 -17.225 5.434 174 HB3 GLU 22 HB1 GLU 22 -1.730 -16.224 4.518 175 HG2 GLU 22 HG2 GLU 22 -0.702 -17.132 2.435 176 HG3 GLU 22 HG1 GLU 22 0.216 -18.245 3.446 177 H ALA 23 HN ALA 23 -1.452 -13.886 3.775 178 HA ALA 23 HA ALA 23 -1.312 -13.987 1.007 179 HB1 ALA 23 HB1 ALA 23 -2.591 -11.910 0.978 180 HB2 ALA 23 HB2 ALA 23 -2.247 -11.647 2.683 181 HB3 ALA 23 HB3 ALA 23 -3.234 -13.022 2.180 182 H GLU 24 HN GLU 24 0.252 -11.634 3.165 183 HA GLU 24 HA GLU 24 1.458 -10.204 1.036 184 HB2 GLU 24 HB2 GLU 24 2.138 -10.284 3.979 185 HB3 GLU 24 HB1 GLU 24 2.904 -9.207 2.822 186 HG2 GLU 24 HG2 GLU 24 -0.053 -9.273 3.372 187 HG3 GLU 24 HG1 GLU 24 1.082 -8.147 4.113 188 H LEU 25 HN LEU 25 2.746 -12.702 3.211 189 HA LEU 25 HA LEU 25 5.375 -12.597 2.216 190 HB2 LEU 25 HB2 LEU 25 4.679 -13.623 4.373 191 HB3 LEU 25 HB1 LEU 25 3.982 -14.955 3.474 192 HG LEU 25 HG LEU 25 6.212 -15.559 2.632 193 HD11 LEU 25 HD11 LEU 25 7.165 -13.307 4.399 194 HD12 LEU 25 HD12 LEU 25 7.256 -13.369 2.638 195 HD13 LEU 25 HD13 LEU 25 8.200 -14.496 3.610 196 HD21 LEU 25 HD21 LEU 25 6.036 -15.279 5.630 197 HD22 LEU 25 HD22 LEU 25 7.130 -16.357 4.765 198 HD23 LEU 25 HD23 LEU 25 5.387 -16.605 4.665 199 H GLU 26 HN GLU 26 2.673 -14.785 1.407 200 HA GLU 26 HA GLU 26 4.126 -16.275 -0.493 201 HB2 GLU 26 HB2 GLU 26 1.205 -15.907 0.034 202 HB3 GLU 26 HB1 GLU 26 1.747 -16.809 -1.374 203 HG2 GLU 26 HG2 GLU 26 2.422 -17.424 1.490 204 HG3 GLU 26 HG1 GLU 26 1.257 -18.287 0.483 205 H ARG 27 HN ARG 27 2.464 -13.245 -0.714 206 HA ARG 27 HA ARG 27 2.297 -13.154 -3.556 207 HB2 ARG 27 HB2 ARG 27 0.963 -11.645 -2.097 208 HB3 ARG 27 HB1 ARG 27 2.440 -10.815 -1.624 209 HG2 ARG 27 HG2 ARG 27 2.785 -10.224 -4.014 210 HG3 ARG 27 HG1 ARG 27 1.197 -10.913 -4.355 211 HD2 ARG 27 HD2 ARG 27 0.222 -9.337 -2.709 212 HD3 ARG 27 HD1 ARG 27 1.813 -8.607 -2.520 213 HE ARG 27 HE ARG 27 0.720 -8.717 -5.210 214 HH11 ARG 27 HH11 ARG 27 1.332 -6.811 -2.326 215 HH12 ARG 27 HH12 ARG 27 1.122 -5.292 -3.124 216 HH21 ARG 27 HH21 ARG 27 0.434 -6.697 -6.277 217 HH22 ARG 27 HH22 ARG 27 0.618 -5.227 -5.383 218 H LEU 28 HN LEU 28 4.641 -11.888 -1.223 219 HA LEU 28 HA LEU 28 6.388 -10.735 -3.117 220 HB2 LEU 28 HB2 LEU 28 7.014 -11.815 -0.364 221 HB3 LEU 28 HB1 LEU 28 8.040 -10.749 -1.297 222 HG LEU 28 HG LEU 28 5.312 -10.042 -0.216 223 HD11 LEU 28 HD11 LEU 28 7.005 -10.259 1.532 224 HD12 LEU 28 HD12 LEU 28 6.516 -8.580 1.305 225 HD13 LEU 28 HD13 LEU 28 8.053 -9.145 0.654 226 HD21 LEU 28 HD21 LEU 28 5.879 -7.760 -0.926 227 HD22 LEU 28 HD22 LEU 28 5.775 -8.869 -2.290 228 HD23 LEU 28 HD23 LEU 28 7.352 -8.370 -1.680 229 H LYS 29 HN LYS 29 6.273 -13.877 -1.562 230 HA LYS 29 HA LYS 29 8.604 -14.988 -2.684 231 HB2 LYS 29 HB2 LYS 29 7.413 -16.017 -0.792 232 HB3 LYS 29 HB1 LYS 29 6.054 -16.396 -1.843 233 HG2 LYS 29 HG2 LYS 29 7.581 -17.834 -3.179 234 HG3 LYS 29 HG1 LYS 29 8.831 -17.541 -1.967 235 HD2 LYS 29 HD2 LYS 29 6.126 -18.766 -1.429 236 HD3 LYS 29 HD1 LYS 29 7.638 -19.662 -1.587 237 HE2 LYS 29 HE2 LYS 29 8.543 -18.552 0.354 238 HE3 LYS 29 HE1 LYS 29 7.117 -17.523 0.471 239 HZ1 LYS 29 HZ1 LYS 29 7.059 -19.358 2.035 240 HZ2 LYS 29 HZ2 LYS 29 7.121 -20.471 0.767 241 HZ3 LYS 29 HZ3 LYS 29 5.778 -19.443 0.931 242 H SER 30 HN SER 30 5.338 -14.724 -3.906 243 HA SER 30 HA SER 30 5.686 -16.487 -6.101 244 HB2 SER 30 HB2 SER 30 3.436 -15.759 -5.191 245 HB3 SER 30 HB1 SER 30 3.707 -14.190 -5.955 246 HG SER 30 HG SER 30 3.413 -16.725 -7.171 247 H GLU 31 HN GLU 31 6.162 -13.017 -5.661 248 HA GLU 31 HA GLU 31 6.737 -12.482 -8.407 249 HB2 GLU 31 HB2 GLU 31 7.490 -10.914 -5.935 250 HB3 GLU 31 HB1 GLU 31 7.644 -10.336 -7.584 251 HG2 GLU 31 HG2 GLU 31 5.144 -10.649 -7.778 252 HG3 GLU 31 HG1 GLU 31 5.139 -10.877 -6.028 253 H ARG 32 HN ARG 32 8.795 -12.692 -5.503 254 HA ARG 32 HA ARG 32 10.964 -13.717 -7.161 255 HB2 ARG 32 HB2 ARG 32 11.134 -11.297 -5.365 256 HB3 ARG 32 HB1 ARG 32 12.549 -12.184 -5.909 257 HG2 ARG 32 HG2 ARG 32 12.110 -11.608 -8.191 258 HG3 ARG 32 HG1 ARG 32 10.552 -10.898 -7.760 259 HD2 ARG 32 HD2 ARG 32 12.294 -9.199 -8.130 260 HD3 ARG 32 HD1 ARG 32 11.658 -9.165 -6.486 261 HE ARG 32 HE ARG 32 14.109 -10.686 -6.948 262 HH11 ARG 32 HH11 ARG 32 12.640 -7.703 -5.808 263 HH12 ARG 32 HH12 ARG 32 13.997 -7.254 -4.837 264 HH21 ARG 32 HH21 ARG 32 15.916 -10.083 -5.662 265 HH22 ARG 32 HH22 ARG 32 15.871 -8.607 -4.757 266 H HIS 33 HN HIS 33 11.396 -15.612 -6.255 267 HA HIS 33 HA HIS 33 10.816 -16.302 -3.569 268 HB2 HIS 33 HB2 HIS 33 12.624 -17.612 -5.610 269 HB3 HIS 33 HB1 HIS 33 12.280 -18.308 -4.031 270 HD2 HIS 33 HD2 HIS 33 9.691 -19.375 -3.739 271 HE1 HIS 33 HE1 HIS 33 8.650 -18.997 -7.831 272 HE2 HIS 33 HE2 HIS 33 8.047 -20.044 -5.618 273 H ASP 34 HN ASP 34 13.543 -14.942 -5.147 274 HA ASP 34 HA ASP 34 15.512 -15.293 -3.142 275 HB2 ASP 34 HB2 ASP 34 16.162 -14.622 -5.392 276 HB3 ASP 34 HB1 ASP 34 15.227 -13.139 -5.274 277 H HIS 35 HN HIS 35 13.326 -12.636 -3.860 278 HA HIS 35 HA HIS 35 13.997 -10.923 -1.746 279 HB2 HIS 35 HB2 HIS 35 12.608 -10.275 -3.737 280 HB3 HIS 35 HB1 HIS 35 11.274 -11.209 -3.071 281 HD2 HIS 35 HD2 HIS 35 9.528 -9.559 -1.869 282 HE1 HIS 35 HE1 HIS 35 12.242 -6.541 -0.665 283 HE2 HIS 35 HE2 HIS 35 9.831 -7.156 -0.969 284 H ASP 36 HN ASP 36 11.706 -13.556 -1.941 285 HA ASP 36 HA ASP 36 10.248 -13.277 0.396 286 HB2 ASP 36 HB2 ASP 36 9.553 -14.989 -1.055 287 HB3 ASP 36 HB1 ASP 36 11.134 -15.767 -1.056 288 H LYS 37 HN LYS 37 13.294 -15.084 0.080 289 HA LYS 37 HA LYS 37 13.524 -16.068 2.650 290 HB2 LYS 37 HB2 LYS 37 15.118 -16.759 0.987 291 HB3 LYS 37 HB1 LYS 37 15.729 -15.118 0.808 292 HG2 LYS 37 HG2 LYS 37 16.586 -15.211 3.110 293 HG3 LYS 37 HG1 LYS 37 16.020 -16.878 3.234 294 HD2 LYS 37 HD2 LYS 37 17.517 -17.575 1.491 295 HD3 LYS 37 HD1 LYS 37 17.977 -15.905 1.159 296 HE2 LYS 37 HE2 LYS 37 18.974 -15.720 3.364 297 HE3 LYS 37 HE1 LYS 37 18.475 -17.364 3.752 298 HZ1 LYS 37 HZ1 LYS 37 19.905 -18.173 1.989 299 HZ2 LYS 37 HZ2 LYS 37 20.797 -17.255 3.092 300 HZ3 LYS 37 HZ3 LYS 37 20.363 -16.595 1.598 301 H LYS 38 HN LYS 38 14.687 -12.934 1.520 302 HA LYS 38 HA LYS 38 15.733 -12.168 4.070 303 HB2 LYS 38 HB2 LYS 38 15.232 -10.579 1.547 304 HB3 LYS 38 HB1 LYS 38 15.965 -9.906 2.994 305 HG2 LYS 38 HG2 LYS 38 17.889 -11.173 2.787 306 HG3 LYS 38 HG1 LYS 38 17.114 -12.368 1.752 307 HD2 LYS 38 HD2 LYS 38 17.582 -9.516 0.902 308 HD3 LYS 38 HD1 LYS 38 18.750 -10.809 0.619 309 HE2 LYS 38 HE2 LYS 38 16.924 -12.069 -0.550 310 HE3 LYS 38 HE1 LYS 38 15.931 -10.621 -0.422 311 HZ1 LYS 38 HZ1 LYS 38 17.148 -10.927 -2.567 312 HZ2 LYS 38 HZ2 LYS 38 18.589 -10.631 -1.726 313 HZ3 LYS 38 HZ3 LYS 38 17.393 -9.436 -1.805 314 H GLU 39 HN GLU 39 12.639 -12.072 2.690 315 HA GLU 39 HA GLU 39 11.701 -9.930 4.428 316 HB2 GLU 39 HB2 GLU 39 10.214 -11.654 2.436 317 HB3 GLU 39 HB1 GLU 39 9.485 -10.367 3.381 318 HG2 GLU 39 HG2 GLU 39 11.677 -10.051 1.349 319 HG3 GLU 39 HG1 GLU 39 9.984 -9.612 1.140 320 H ALA 40 HN ALA 40 11.370 -13.393 4.040 321 HA ALA 40 HA ALA 40 9.417 -13.816 6.030 322 HB1 ALA 40 HB1 ALA 40 11.494 -15.790 5.075 323 HB2 ALA 40 HB2 ALA 40 9.937 -15.486 4.296 324 HB3 ALA 40 HB3 ALA 40 9.994 -16.163 5.917 325 H GLU 41 HN GLU 41 12.967 -14.010 6.238 326 HA GLU 41 HA GLU 41 12.902 -14.849 8.966 327 HB2 GLU 41 HB2 GLU 41 15.339 -14.406 8.956 328 HB3 GLU 41 HB1 GLU 41 14.809 -15.442 7.641 329 HG2 GLU 41 HG2 GLU 41 14.958 -13.606 6.086 330 HG3 GLU 41 HG1 GLU 41 15.375 -12.500 7.395 331 H ARG 42 HN ARG 42 13.153 -11.734 7.391 332 HA ARG 42 HA ARG 42 13.774 -10.328 9.826 333 HB2 ARG 42 HB2 ARG 42 14.391 -9.520 7.504 334 HB3 ARG 42 HB1 ARG 42 12.691 -9.133 7.269 335 HG2 ARG 42 HG2 ARG 42 12.872 -7.661 9.301 336 HG3 ARG 42 HG1 ARG 42 14.617 -7.910 9.219 337 HD2 ARG 42 HD2 ARG 42 14.110 -5.877 8.074 338 HD3 ARG 42 HD1 ARG 42 14.542 -7.088 6.865 339 HE ARG 42 HE ARG 42 11.789 -6.206 7.481 340 HH11 ARG 42 HH11 ARG 42 14.136 -7.554 5.215 341 HH12 ARG 42 HH12 ARG 42 12.996 -7.616 3.905 342 HH21 ARG 42 HH21 ARG 42 10.339 -6.256 5.748 343 HH22 ARG 42 HH22 ARG 42 10.840 -6.870 4.201 344 H LYS 43 HN LYS 43 10.969 -11.413 8.216 345 HA LYS 43 HA LYS 43 8.934 -9.748 9.066 346 HB2 LYS 43 HB2 LYS 43 8.441 -11.568 7.562 347 HB3 LYS 43 HB1 LYS 43 8.947 -12.762 8.748 348 HG2 LYS 43 HG2 LYS 43 7.024 -12.142 10.150 349 HG3 LYS 43 HG1 LYS 43 6.505 -11.009 8.897 350 HD2 LYS 43 HD2 LYS 43 6.243 -12.812 7.312 351 HD3 LYS 43 HD1 LYS 43 6.913 -13.968 8.462 352 HE2 LYS 43 HE2 LYS 43 4.349 -12.417 8.824 353 HE3 LYS 43 HE1 LYS 43 4.465 -14.100 8.316 354 HZ1 LYS 43 HZ1 LYS 43 5.569 -14.592 10.444 355 HZ2 LYS 43 HZ2 LYS 43 3.989 -13.990 10.658 356 HZ3 LYS 43 HZ3 LYS 43 5.322 -12.987 10.925 357 H ALA 44 HN ALA 44 10.322 -12.499 10.799 358 HA ALA 44 HA ALA 44 8.685 -12.278 13.077 359 HB1 ALA 44 HB1 ALA 44 11.459 -13.473 12.931 360 HB2 ALA 44 HB2 ALA 44 9.953 -14.326 12.575 361 HB3 ALA 44 HB3 ALA 44 10.272 -13.741 14.203 362 H LEU 45 HN LEU 45 11.630 -10.663 12.194 363 HA LEU 45 HA LEU 45 12.178 -9.715 14.842 364 HB2 LEU 45 HB2 LEU 45 13.328 -8.835 12.194 365 HB3 LEU 45 HB1 LEU 45 13.948 -8.385 13.769 366 HG LEU 45 HG LEU 45 13.891 -11.194 12.663 367 HD11 LEU 45 HD11 LEU 45 15.476 -9.787 11.474 368 HD12 LEU 45 HD12 LEU 45 16.316 -10.951 12.499 369 HD13 LEU 45 HD13 LEU 45 16.181 -9.266 13.005 370 HD21 LEU 45 HD21 LEU 45 15.098 -10.077 15.195 371 HD22 LEU 45 HD22 LEU 45 15.320 -11.720 14.595 372 HD23 LEU 45 HD23 LEU 45 13.719 -11.172 15.089 373 H GLU 46 HN GLU 46 10.380 -8.567 12.114 374 HA GLU 46 HA GLU 46 10.147 -5.907 13.299 375 HB2 GLU 46 HB2 GLU 46 8.954 -6.986 10.741 376 HB3 GLU 46 HB1 GLU 46 8.891 -5.315 11.279 377 HG2 GLU 46 HG2 GLU 46 11.405 -5.325 11.224 378 HG3 GLU 46 HG1 GLU 46 11.292 -6.885 10.409 379 H ASP 47 HN ASP 47 8.710 -8.818 13.659 380 HA ASP 47 HA ASP 47 6.039 -7.676 14.090 381 HB2 ASP 47 HB2 ASP 47 6.172 -9.614 12.553 382 HB3 ASP 47 HB1 ASP 47 6.790 -10.594 13.875 383 H LYS 48 HN LYS 48 8.143 -10.145 15.636 384 HA LYS 48 HA LYS 48 6.553 -9.869 18.026 385 HB2 LYS 48 HB2 LYS 48 7.538 -12.084 17.164 386 HB3 LYS 48 HB1 LYS 48 9.056 -11.542 17.872 387 HG2 LYS 48 HG2 LYS 48 7.897 -13.009 19.399 388 HG3 LYS 48 HG1 LYS 48 7.949 -11.372 20.060 389 HD2 LYS 48 HD2 LYS 48 5.618 -11.073 19.015 390 HD3 LYS 48 HD1 LYS 48 5.619 -12.824 18.828 391 HE2 LYS 48 HE2 LYS 48 5.880 -13.109 21.204 392 HE3 LYS 48 HE1 LYS 48 6.018 -11.366 21.428 393 HZ1 LYS 48 HZ1 LYS 48 3.642 -12.902 20.577 394 HZ2 LYS 48 HZ2 LYS 48 3.729 -11.215 20.431 395 HZ3 LYS 48 HZ3 LYS 48 3.813 -11.944 21.962 396 H LEU 49 HN LEU 49 8.844 -7.989 16.901 397 HA LEU 49 HA LEU 49 10.105 -7.501 19.489 398 HB2 LEU 49 HB2 LEU 49 10.673 -6.474 16.730 399 HB3 LEU 49 HB1 LEU 49 11.142 -5.499 18.100 400 HG LEU 49 HG LEU 49 12.988 -6.895 17.237 401 HD11 LEU 49 HD11 LEU 49 13.731 -7.757 19.390 402 HD12 LEU 49 HD12 LEU 49 12.092 -7.613 20.023 403 HD13 LEU 49 HD13 LEU 49 12.988 -6.167 19.559 404 HD21 LEU 49 HD21 LEU 49 11.340 -9.223 18.223 405 HD22 LEU 49 HD22 LEU 49 12.984 -9.300 17.585 406 HD23 LEU 49 HD23 LEU 49 11.648 -8.832 16.533 407 H ALA 50 HN ALA 50 7.312 -6.684 17.962 408 HA ALA 50 HA ALA 50 7.139 -4.063 19.244 409 HB1 ALA 50 HB1 ALA 50 6.521 -4.189 16.873 410 HB2 ALA 50 HB2 ALA 50 5.153 -3.719 17.883 411 HB3 ALA 50 HB3 ALA 50 5.271 -5.368 17.270 412 H ASP 51 HN ASP 51 5.095 -6.978 18.836 413 HA ASP 51 HA ASP 51 3.730 -6.279 21.332 414 HB2 ASP 51 HB2 ASP 51 1.973 -7.774 20.679 415 HB3 ASP 51 HB1 ASP 51 2.371 -6.782 19.282 416 H TYR 52 HN TYR 52 3.420 -7.764 22.969 417 HA TYR 52 HA TYR 52 5.235 -10.062 22.931 418 HB2 TYR 52 HB2 TYR 52 5.392 -9.761 25.444 419 HB3 TYR 52 HB1 TYR 52 6.187 -8.529 24.479 420 HD1 TYR 52 HD1 TYR 52 3.601 -9.223 26.915 421 HD2 TYR 52 HD2 TYR 52 5.154 -6.264 24.285 422 HE1 TYR 52 HE1 TYR 52 2.365 -7.494 28.138 423 HE2 TYR 52 HE2 TYR 52 3.920 -4.523 25.506 424 HH TYR 52 HH TYR 52 2.513 -5.066 28.534
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