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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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652030 |
6svc ![]() ![]() |
34432 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 5 H SER 5 -11.136 -4.706 -8.456 2 H1 SER 5 H SER 5 -12.528 -5.128 -7.717 3 HA SER 5 HA SER 5 -10.444 -2.845 -6.277 4 HA SER 5 HA SER 5 -10.568 -3.578 -6.394 5 HB2 SER 5 HB2 SER 5 -12.423 -2.460 -8.533 6 HB2 SER 5 HB2 SER 5 -13.043 -2.535 -5.635 7 HB3 SER 5 HB3 SER 5 -12.270 -1.376 -7.150 8 HB3 SER 5 HB3 SER 5 -12.080 -2.043 -7.030 9 HG SER 5 HG SER 5 -11.030 -0.566 -8.821 10 HG SER 5 HG SER 5 -14.161 -3.966 -6.942 11 H LYS 6 H LYS 6 -11.496 -3.148 -4.432 12 H LYS 6 H LYS 6 -13.678 -4.542 -4.967 13 HA LYS 6 HA LYS 6 -14.225 -4.080 -4.373 14 HA LYS 6 HA LYS 6 -14.259 -5.173 -2.861 15 HB2 LYS 6 HB2 LYS 6 -11.937 -5.812 -3.503 16 HB2 LYS 6 HB2 LYS 6 -11.451 -6.223 -2.549 17 HB3 LYS 6 HB3 LYS 6 -13.490 -5.933 -2.687 18 HB3 LYS 6 HB3 LYS 6 -12.917 -6.802 -1.768 19 HG2 LYS 6 HG2 LYS 6 -14.527 -6.332 -4.939 20 HG2 LYS 6 HG2 LYS 6 -13.664 -7.287 -4.234 21 HG3 LYS 6 HG3 LYS 6 -12.890 -6.459 -5.586 22 HG3 LYS 6 HG3 LYS 6 -11.924 -7.272 -4.534 23 HD2 LYS 6 HD2 LYS 6 -12.854 -8.599 -4.987 24 HD2 LYS 6 HD2 LYS 6 -11.975 -9.425 -3.919 25 HD3 LYS 6 HD3 LYS 6 -12.988 -8.103 -3.297 26 HD3 LYS 6 HD3 LYS 6 -12.129 -8.813 -2.271 27 HE2 LYS 6 HE2 LYS 6 -14.893 -9.290 -3.334 28 HE2 LYS 6 HE2 LYS 6 -14.516 -8.994 -2.360 29 HE3 LYS 6 HE3 LYS 6 -15.563 -7.866 -4.126 30 HE3 LYS 6 HE3 LYS 6 -14.471 -9.384 -4.080 31 HZ1 LYS 6 HZ1 LYS 6 -14.270 -9.913 -5.779 32 HZ1 LYS 6 HZ1 LYS 6 -13.806 -11.505 -3.679 33 HZ2 LYS 6 HZ2 LYS 6 -15.549 -8.873 -6.158 34 HZ2 LYS 6 HZ2 LYS 6 -14.682 -11.243 -2.258 35 HZ3 LYS 6 HZ3 LYS 6 -15.821 -10.225 -5.179 36 HZ3 LYS 6 HZ3 LYS 6 -12.996 -11.121 -2.245 37 H LEU 7 H LEU 7 -14.045 -1.802 -3.511 38 H LEU 7 H LEU 7 -14.563 -3.280 -1.795 39 HA LEU 7 HA LEU 7 -13.427 -1.863 -0.631 40 HA LEU 7 HA LEU 7 -12.804 -2.588 0.295 41 HB2 LEU 7 HB2 LEU 7 -13.039 0.240 -2.703 42 HB2 LEU 7 HB2 LEU 7 -11.962 -0.485 -0.399 43 HB3 LEU 7 HB3 LEU 7 -13.379 0.734 -1.046 44 HB3 LEU 7 HB3 LEU 7 -11.554 -1.652 -1.656 45 HG LEU 7 HG LEU 7 -11.372 -0.274 -0.251 46 HG LEU 7 HG LEU 7 -14.008 -0.485 -2.407 47 HD11 LEU 7 HD11 LEU 7 -9.834 -1.304 -2.100 48 HD11 LEU 7 HD11 LEU 7 -13.145 1.276 -0.690 49 HD12 LEU 7 HD12 LEU 7 -11.366 -1.602 -2.919 50 HD12 LEU 7 HD12 LEU 7 -13.773 1.798 -2.252 51 HD13 LEU 7 HD13 LEU 7 -11.075 -2.284 -1.320 52 HD13 LEU 7 HD13 LEU 7 -12.031 1.711 -1.986 53 HD21 LEU 7 HD21 LEU 7 -11.286 1.577 -2.523 54 HD21 LEU 7 HD21 LEU 7 -12.685 0.348 -4.290 55 HD22 LEU 7 HD22 LEU 7 -9.761 0.756 -2.187 56 HD22 LEU 7 HD22 LEU 7 -12.290 -1.330 -3.912 57 HD23 LEU 7 HD23 LEU 7 -10.553 1.702 -0.924 58 HD23 LEU 7 HD23 LEU 7 -11.201 -0.033 -3.416 59 HA PRO 8 HA PRO 8 -17.604 -0.884 0.293 60 HA PRO 8 HA PRO 8 -16.468 -0.721 1.824 61 HB2 PRO 8 HB2 PRO 8 -17.326 0.757 2.439 62 HB2 PRO 8 HB2 PRO 8 -15.465 1.180 3.480 63 HB3 PRO 8 HB3 PRO 8 -17.023 -0.983 2.514 64 HB3 PRO 8 HB3 PRO 8 -15.403 -0.548 3.851 65 HG2 PRO 8 HG2 PRO 8 -15.071 1.271 2.241 66 HG2 PRO 8 HG2 PRO 8 -13.271 1.227 2.725 67 HG3 PRO 8 HG3 PRO 8 -14.970 -0.180 3.254 68 HG3 PRO 8 HG3 PRO 8 -13.141 -0.024 3.975 69 HD2 PRO 8 HD2 PRO 8 -13.657 0.045 0.897 70 HD2 PRO 8 HD2 PRO 8 -12.401 -0.450 1.406 71 HD3 PRO 8 HD3 PRO 8 -14.269 -1.507 1.505 72 HD3 PRO 8 HD3 PRO 8 -13.068 -1.735 2.432 73 HA PRO 9 HA PRO 9 -18.942 2.964 -1.362 74 HA PRO 9 HA PRO 9 -17.532 2.872 -0.483 75 HB2 PRO 9 HB2 PRO 9 -20.989 3.691 0.265 76 HB2 PRO 9 HB2 PRO 9 -19.429 3.984 1.107 77 HB3 PRO 9 HB3 PRO 9 -21.102 2.350 -0.880 78 HB3 PRO 9 HB3 PRO 9 -19.704 2.509 0.172 79 HG2 PRO 9 HG2 PRO 9 -20.567 2.287 2.065 80 HG2 PRO 9 HG2 PRO 9 -19.017 2.815 3.071 81 HG3 PRO 9 HG3 PRO 9 -21.620 1.240 1.097 82 HG3 PRO 9 HG3 PRO 9 -20.198 1.732 2.308 83 HD2 PRO 9 HD2 PRO 9 -19.145 0.480 1.891 84 HD2 PRO 9 HD2 PRO 9 -17.748 0.891 3.099 85 HD3 PRO 9 HD3 PRO 9 -19.865 -0.061 0.361 86 HD3 PRO 9 HD3 PRO 9 -18.586 0.203 1.693 87 H GLY 10 H GLY 10 -17.645 4.698 -1.258 88 H GLY 10 H GLY 10 -17.110 5.060 -0.665 89 HA2 GLY 10 HA2 GLY 10 -17.599 6.944 -0.168 90 HA2 GLY 10 HA2 GLY 10 -16.553 7.213 0.112 91 HA3 GLY 10 HA3 GLY 10 -17.396 6.076 1.346 92 HA3 GLY 10 HA3 GLY 10 -16.246 6.536 1.704 93 H TRP 11 H TRP 11 -15.611 4.110 -0.095 94 H TRP 11 H TRP 11 -14.556 4.386 0.636 95 HA TRP 11 HA TRP 11 -13.176 5.710 0.168 96 HA TRP 11 HA TRP 11 -12.108 5.946 0.425 97 HB2 TRP 11 HB2 TRP 11 -13.791 2.782 0.343 98 HB2 TRP 11 HB2 TRP 11 -12.444 2.948 0.657 99 HB3 TRP 11 HB3 TRP 11 -12.144 3.304 -0.002 100 HB3 TRP 11 HB3 TRP 11 -10.950 3.857 0.865 101 HD1 TRP 11 HD1 TRP 11 -14.767 3.304 2.781 102 HD1 TRP 11 HD1 TRP 11 -14.351 3.305 2.602 103 HE1 TRP 11 HE1 TRP 11 -13.607 3.877 5.006 104 HE1 TRP 11 HE1 TRP 11 -14.069 3.830 5.105 105 HE3 TRP 11 HE3 TRP 11 -10.142 4.544 0.989 106 HE3 TRP 11 HE3 TRP 11 -9.546 5.050 2.528 107 HZ2 TRP 11 HZ2 TRP 11 -11.067 4.742 5.885 108 HZ2 TRP 11 HZ2 TRP 11 -12.075 4.851 6.822 109 HZ3 TRP 11 HZ3 TRP 11 -8.404 5.235 2.588 110 HZ3 TRP 11 HZ3 TRP 11 -8.525 5.781 4.645 111 HH2 TRP 11 HH2 TRP 11 -8.858 5.332 4.985 112 HH2 TRP 11 HH2 TRP 11 -9.765 5.684 6.746 113 H GLU 12 H GLU 12 -11.489 5.604 -1.383 114 H GLU 12 H GLU 12 -10.644 5.812 -1.261 115 HA GLU 12 HA GLU 12 -12.321 4.680 -4.051 116 HA GLU 12 HA GLU 12 -11.645 4.507 -3.707 117 HB2 GLU 12 HB2 GLU 12 -12.257 7.290 -3.445 118 HB2 GLU 12 HB2 GLU 12 -9.869 6.937 -3.691 119 HB3 GLU 12 HB3 GLU 12 -10.565 7.068 -3.870 120 HB3 GLU 12 HB3 GLU 12 -10.820 6.291 -5.020 121 HG2 GLU 12 HG2 GLU 12 -11.384 6.021 -6.023 122 HG2 GLU 12 HG2 GLU 12 -12.793 6.809 -3.294 123 HG3 GLU 12 HG3 GLU 12 -12.982 6.634 -5.593 124 HG3 GLU 12 HG3 GLU 12 -11.627 8.023 -2.772 125 H LYS 13 H LYS 13 -10.996 3.141 -4.721 126 H LYS 13 H LYS 13 -10.201 3.400 -4.989 127 HA LYS 13 HA LYS 13 -8.399 2.757 -3.556 128 HA LYS 13 HA LYS 13 -7.602 2.832 -3.739 129 HB2 LYS 13 HB2 LYS 13 -9.795 0.841 -4.171 130 HB2 LYS 13 HB2 LYS 13 -9.000 0.873 -3.986 131 HB3 LYS 13 HB3 LYS 13 -9.758 1.342 -5.857 132 HB3 LYS 13 HB3 LYS 13 -9.261 1.226 -5.689 133 HG2 LYS 13 HG2 LYS 13 -7.584 0.669 -6.154 134 HG2 LYS 13 HG2 LYS 13 -6.787 0.939 -6.020 135 HG3 LYS 13 HG3 LYS 13 -7.190 0.820 -4.439 136 HG3 LYS 13 HG3 LYS 13 -6.716 0.335 -4.363 137 HD2 LYS 13 HD2 LYS 13 -7.895 -1.269 -3.969 138 HD2 LYS 13 HD2 LYS 13 -8.825 -1.019 -5.691 139 HD3 LYS 13 HD3 LYS 13 -9.264 -1.166 -5.075 140 HD3 LYS 13 HD3 LYS 13 -7.411 -1.065 -6.743 141 HE2 LYS 13 HE2 LYS 13 -7.523 -1.343 -6.944 142 HE2 LYS 13 HE2 LYS 13 -6.280 -2.435 -5.366 143 HE3 LYS 13 HE3 LYS 13 -6.405 -1.859 -5.682 144 HE3 LYS 13 HE3 LYS 13 -6.849 -1.608 -3.917 145 HZ1 LYS 13 HZ1 LYS 13 -8.490 -3.327 -6.968 146 HZ1 LYS 13 HZ1 LYS 13 -8.691 -3.307 -5.461 147 HZ2 LYS 13 HZ2 LYS 13 -8.636 -3.385 -5.284 148 HZ2 LYS 13 HZ2 LYS 13 -8.744 -2.889 -3.823 149 HZ3 LYS 13 HZ3 LYS 13 -7.202 -3.890 -6.027 150 HZ3 LYS 13 HZ3 LYS 13 -7.605 -4.013 -4.373 151 H ARG 14 H ARG 14 -6.619 3.769 -4.178 152 H ARG 14 H ARG 14 -5.910 3.805 -4.617 153 HA ARG 14 HA ARG 14 -6.399 4.630 -6.989 154 HA ARG 14 HA ARG 14 -5.825 4.123 -7.539 155 HB2 ARG 14 HB2 ARG 14 -5.237 5.966 -4.537 156 HB2 ARG 14 HB2 ARG 14 -4.603 6.204 -5.768 157 HB3 ARG 14 HB3 ARG 14 -4.996 6.492 -6.199 158 HB3 ARG 14 HB3 ARG 14 -5.139 6.339 -7.437 159 HG2 ARG 14 HG2 ARG 14 -7.771 6.310 -5.843 160 HG2 ARG 14 HG2 ARG 14 -7.476 5.796 -6.151 161 HG3 ARG 14 HG3 ARG 14 -7.135 7.095 -4.395 162 HG3 ARG 14 HG3 ARG 14 -6.611 6.753 -4.947 163 HD2 ARG 14 HD2 ARG 14 -6.171 8.840 -5.633 164 HD2 ARG 14 HD2 ARG 14 -7.171 7.537 -7.805 165 HD3 ARG 14 HD3 ARG 14 -6.303 7.950 -7.148 166 HD3 ARG 14 HD3 ARG 14 -7.945 8.197 -6.366 167 HE ARG 14 HE ARG 14 -8.825 8.562 -5.886 168 HE ARG 14 HE ARG 14 -5.081 8.486 -6.396 169 HH11 ARG 14 HH11 ARG 14 -6.372 9.618 -8.120 170 HH11 ARG 14 HH11 ARG 14 -8.122 9.888 -7.346 171 HH12 ARG 14 HH12 ARG 14 -7.432 10.681 -8.984 172 HH12 ARG 14 HH12 ARG 14 -7.499 11.502 -7.438 173 HH21 ARG 14 HH21 ARG 14 -10.230 9.960 -7.016 174 HH21 ARG 14 HH21 ARG 14 -4.247 10.605 -6.512 175 HH22 ARG 14 HH22 ARG 14 -9.626 10.876 -8.354 176 HH22 ARG 14 HH22 ARG 14 -5.295 11.909 -6.964 177 H MET 15 H MET 15 -4.086 4.910 -7.702 178 H MET 15 H MET 15 -3.749 4.061 -8.478 179 HA MET 15 HA MET 15 -2.325 2.920 -6.444 180 HA MET 15 HA MET 15 -1.650 2.995 -6.704 181 HB2 MET 15 HB2 MET 15 -3.598 2.410 -8.771 182 HB2 MET 15 HB2 MET 15 -2.870 1.582 -8.660 183 HB3 MET 15 HB3 MET 15 -2.154 3.203 -9.384 184 HB3 MET 15 HB3 MET 15 -1.551 2.298 -9.577 185 HG2 MET 15 HG2 MET 15 -1.514 1.233 -7.370 186 HG2 MET 15 HG2 MET 15 -0.072 0.896 -8.712 187 HG3 MET 15 HG3 MET 15 -2.429 0.535 -8.705 188 HG3 MET 15 HG3 MET 15 -0.621 1.220 -7.069 189 HE1 MET 15 HE1 MET 15 0.808 -0.784 -9.466 190 HE1 MET 15 HE1 MET 15 -1.072 -0.523 -10.289 191 HE2 MET 15 HE2 MET 15 -0.929 -0.963 -9.223 192 HE2 MET 15 HE2 MET 15 -0.339 -1.925 -9.511 193 HE3 MET 15 HE3 MET 15 -0.297 -0.590 -10.827 194 HE3 MET 15 HE3 MET 15 -2.038 -1.966 -9.979 195 H SER 16 H SER 16 -0.160 3.400 -6.408 196 H SER 16 H SER 16 0.222 4.062 -6.674 197 HA SER 16 HA SER 16 0.555 6.102 -7.336 198 HA SER 16 HA SER 16 0.551 6.477 -8.124 199 HB2 SER 16 HB2 SER 16 1.176 4.574 -4.883 200 HB2 SER 16 HB2 SER 16 2.075 4.961 -6.101 201 HB3 SER 16 HB3 SER 16 2.524 5.479 -5.569 202 HB3 SER 16 HB3 SER 16 3.049 5.972 -7.166 203 HG SER 16 HG SER 16 1.454 6.851 -4.202 204 HG SER 16 HG SER 16 1.779 7.744 -6.559 205 H ARG 17 H ARG 17 1.451 5.837 -9.303 206 H ARG 17 H ARG 17 2.065 7.010 -9.727 207 HA ARG 17 HA ARG 17 2.950 3.616 -10.145 208 HA ARG 17 HA ARG 17 2.730 4.776 -11.489 209 HB2 ARG 17 HB2 ARG 17 3.553 4.948 -12.070 210 HB2 ARG 17 HB2 ARG 17 1.511 6.882 -12.270 211 HB3 ARG 17 HB3 ARG 17 1.866 5.237 -11.672 212 HB3 ARG 17 HB3 ARG 17 3.056 7.707 -12.105 213 HG2 ARG 17 HG2 ARG 17 2.224 7.397 -11.101 214 HG2 ARG 17 HG2 ARG 17 3.921 5.764 -13.623 215 HG3 ARG 17 HG3 ARG 17 3.850 7.081 -10.493 216 HG3 ARG 17 HG3 ARG 17 2.217 5.626 -14.062 217 HD2 ARG 17 HD2 ARG 17 3.069 7.125 -13.404 218 HD2 ARG 17 HD2 ARG 17 3.427 7.087 -15.607 219 HD3 ARG 17 HD3 ARG 17 3.830 8.463 -12.544 220 HD3 ARG 17 HD3 ARG 17 2.183 7.969 -14.724 221 HE ARG 17 HE ARG 17 5.094 6.029 -13.456 222 HE ARG 17 HE ARG 17 3.822 9.281 -13.839 223 HH11 ARG 17 HH11 ARG 17 5.289 8.794 -11.351 224 HH11 ARG 17 HH11 ARG 17 5.260 6.323 -14.980 225 HH12 ARG 17 HH12 ARG 17 7.014 8.718 -11.196 226 HH12 ARG 17 HH12 ARG 17 6.885 6.837 -14.660 227 HH21 ARG 17 HH21 ARG 17 7.364 5.919 -13.261 228 HH21 ARG 17 HH21 ARG 17 5.955 9.969 -13.414 229 HH22 ARG 17 HH22 ARG 17 8.192 7.082 -12.283 230 HH22 ARG 17 HH22 ARG 17 7.278 8.911 -13.770 231 H ASN 18 H ASN 18 5.271 4.441 -11.250 232 H ASN 18 H ASN 18 4.254 5.255 -9.053 233 HA ASN 18 HA ASN 18 7.467 4.925 -10.864 234 HA ASN 18 HA ASN 18 6.886 5.180 -10.218 235 HB2 ASN 18 HB2 ASN 18 6.185 6.932 -9.529 236 HB2 ASN 18 HB2 ASN 18 5.982 7.499 -8.542 237 HB3 ASN 18 HB3 ASN 18 7.099 6.181 -8.224 238 HB3 ASN 18 HB3 ASN 18 7.660 6.967 -8.473 239 HD21 ASN 18 HD21 ASN 18 7.761 8.661 -8.740 240 HD21 ASN 18 HD21 ASN 18 6.058 9.336 -9.642 241 HD22 ASN 18 HD22 ASN 18 9.248 8.773 -9.610 242 HD22 ASN 18 HD22 ASN 18 6.755 9.535 -11.211 243 H SER 19 H SER 19 6.098 4.471 -7.601 244 H SER 19 H SER 19 5.088 3.461 -8.668 245 HA SER 19 HA SER 19 8.181 2.518 -7.025 246 HA SER 19 HA SER 19 6.970 2.315 -6.918 247 HB2 SER 19 HB2 SER 19 6.651 4.389 -5.479 248 HB2 SER 19 HB2 SER 19 5.901 2.734 -4.754 249 HB3 SER 19 HB3 SER 19 6.418 2.770 -4.821 250 HB3 SER 19 HB3 SER 19 6.403 4.252 -5.497 251 HG SER 19 HG SER 19 8.673 2.570 -4.671 252 HG SER 19 HG SER 19 4.134 4.281 -6.322 253 H GLY 20 H GLY 20 4.774 2.679 -7.688 254 H GLY 20 H GLY 20 3.503 2.756 -7.525 255 HA2 GLY 20 HA2 GLY 20 3.301 0.984 -8.211 256 HA2 GLY 20 HA2 GLY 20 2.018 1.097 -8.256 257 HA3 GLY 20 HA3 GLY 20 4.628 -0.155 -8.050 258 HA3 GLY 20 HA3 GLY 20 3.227 -0.121 -7.875 259 H ARG 21 H ARG 21 2.853 2.032 -5.859 260 H ARG 21 H ARG 21 3.432 1.436 -5.176 261 HA ARG 21 HA ARG 21 2.431 -0.276 -4.079 262 HA ARG 21 HA ARG 21 1.947 -0.368 -3.645 263 HB2 ARG 21 HB2 ARG 21 3.899 2.098 -3.543 264 HB2 ARG 21 HB2 ARG 21 3.297 2.240 -3.072 265 HB3 ARG 21 HB3 ARG 21 2.431 2.155 -2.577 266 HB3 ARG 21 HB3 ARG 21 2.267 1.519 -1.843 267 HG2 ARG 21 HG2 ARG 21 3.079 0.457 -1.248 268 HG2 ARG 21 HG2 ARG 21 3.715 -0.167 -1.419 269 HG3 ARG 21 HG3 ARG 21 3.881 -0.409 -2.561 270 HG3 ARG 21 HG3 ARG 21 4.287 -0.244 -3.086 271 HD2 ARG 21 HD2 ARG 21 5.572 0.291 -1.043 272 HD2 ARG 21 HD2 ARG 21 6.069 0.549 -1.676 273 HD3 ARG 21 HD3 ARG 21 5.691 1.322 -2.469 274 HD3 ARG 21 HD3 ARG 21 5.524 1.865 -2.716 275 HE ARG 21 HE ARG 21 4.716 2.114 0.177 276 HE ARG 21 HE ARG 21 5.081 1.629 0.170 277 HH11 ARG 21 HH11 ARG 21 5.538 2.946 -3.102 278 HH11 ARG 21 HH11 ARG 21 4.772 3.442 -2.787 279 HH12 ARG 21 HH12 ARG 21 5.555 4.653 -2.803 280 HH12 ARG 21 HH12 ARG 21 4.391 4.931 -1.988 281 HH21 ARG 21 HH21 ARG 21 4.737 4.358 0.583 282 HH21 ARG 21 HH21 ARG 21 4.581 3.585 1.234 283 HH22 ARG 21 HH22 ARG 21 5.100 5.454 -0.706 284 HH22 ARG 21 HH22 ARG 21 4.285 5.011 0.299 285 H VAL 22 H VAL 22 0.449 -0.446 -3.089 286 H VAL 22 H VAL 22 -0.200 -0.505 -4.128 287 HA VAL 22 HA VAL 22 -1.684 1.123 -4.281 288 HA VAL 22 HA VAL 22 -1.891 1.744 -4.522 289 HB VAL 22 HB VAL 22 -1.813 -1.225 -2.384 290 HB VAL 22 HB VAL 22 -2.241 -0.725 -5.258 291 HG11 VAL 22 HG11 VAL 22 -4.180 -1.337 -2.988 292 HG11 VAL 22 HG11 VAL 22 -3.166 -2.224 -3.819 293 HG12 VAL 22 HG12 VAL 22 -3.790 0.197 -2.209 294 HG12 VAL 22 HG12 VAL 22 -2.226 -1.286 -2.656 295 HG13 VAL 22 HG13 VAL 22 -4.005 0.124 -3.958 296 HG13 VAL 22 HG13 VAL 22 -3.953 -0.977 -2.850 297 HG21 VAL 22 HG21 VAL 22 -2.606 -1.315 -5.260 298 HG21 VAL 22 HG21 VAL 22 -4.618 0.751 -4.145 299 HG22 VAL 22 HG22 VAL 22 -0.903 -1.450 -4.825 300 HG22 VAL 22 HG22 VAL 22 -3.776 1.232 -5.618 301 HG23 VAL 22 HG23 VAL 22 -2.069 -2.619 -4.203 302 HG23 VAL 22 HG23 VAL 22 -4.575 -0.338 -5.530 303 H TYR 23 H TYR 23 -2.962 2.568 -3.246 304 H TYR 23 H TYR 23 -3.448 2.639 -3.165 305 HA TYR 23 HA TYR 23 -2.791 2.853 -0.353 306 HA TYR 23 HA TYR 23 -3.454 1.827 -0.357 307 HB2 TYR 23 HB2 TYR 23 -2.124 5.135 -0.366 308 HB2 TYR 23 HB2 TYR 23 -3.161 4.156 0.397 309 HB3 TYR 23 HB3 TYR 23 -0.986 4.289 -1.407 310 HB3 TYR 23 HB3 TYR 23 -1.749 3.567 -0.475 311 HD1 TYR 23 HD1 TYR 23 -3.769 6.676 -1.308 312 HD1 TYR 23 HD1 TYR 23 -4.378 6.041 -0.368 313 HD2 TYR 23 HD2 TYR 23 -0.941 4.692 -3.793 314 HD2 TYR 23 HD2 TYR 23 -1.374 4.314 -2.837 315 HE1 TYR 23 HE1 TYR 23 -4.270 8.253 -3.128 316 HE1 TYR 23 HE1 TYR 23 -4.508 7.981 -1.874 317 HE2 TYR 23 HE2 TYR 23 -1.434 6.264 -5.618 318 HE2 TYR 23 HE2 TYR 23 -1.495 6.249 -4.349 319 HH TYR 23 HH TYR 23 -2.926 7.833 -6.345 320 HH TYR 23 HH TYR 23 -2.404 8.237 -4.726 321 H TYR 24 H TYR 24 -4.670 3.495 0.534 322 H TYR 24 H TYR 24 -5.095 3.364 0.851 323 HA TYR 24 HA TYR 24 -6.873 4.098 -1.301 324 HA TYR 24 HA TYR 24 -7.451 3.701 -0.886 325 HB2 TYR 24 HB2 TYR 24 -7.052 3.377 1.626 326 HB2 TYR 24 HB2 TYR 24 -7.329 2.584 1.920 327 HB3 TYR 24 HB3 TYR 24 -8.360 3.391 0.450 328 HB3 TYR 24 HB3 TYR 24 -8.825 3.025 1.103 329 HD1 TYR 24 HD1 TYR 24 -6.353 1.281 2.256 330 HD1 TYR 24 HD1 TYR 24 -6.005 0.662 1.143 331 HD2 TYR 24 HD2 TYR 24 -7.684 1.871 -1.741 332 HD2 TYR 24 HD2 TYR 24 -9.751 1.634 -0.623 333 HE1 TYR 24 HE1 TYR 24 -5.934 -1.093 1.773 334 HE1 TYR 24 HE1 TYR 24 -6.098 -1.574 0.125 335 HE2 TYR 24 HE2 TYR 24 -7.268 -0.503 -2.237 336 HE2 TYR 24 HE2 TYR 24 -9.856 -0.600 -1.646 337 HH TYR 24 HH TYR 24 -7.032 -2.604 -1.113 338 HH TYR 24 HH TYR 24 -8.671 -3.014 -0.918 339 H PHE 25 H PHE 25 -8.341 5.800 -0.872 340 H PHE 25 H PHE 25 -8.124 5.729 -0.959 341 HA PHE 25 HA PHE 25 -7.478 7.817 1.066 342 HA PHE 25 HA PHE 25 -7.662 7.454 1.386 343 HB2 PHE 25 HB2 PHE 25 -6.788 8.103 -1.544 344 HB2 PHE 25 HB2 PHE 25 -6.259 8.199 -0.433 345 HB3 PHE 25 HB3 PHE 25 -8.358 8.899 -1.538 346 HB3 PHE 25 HB3 PHE 25 -7.619 8.170 -1.551 347 HD1 PHE 25 HD1 PHE 25 -4.894 9.102 -0.538 348 HD1 PHE 25 HD1 PHE 25 -6.195 9.897 1.382 349 HD2 PHE 25 HD2 PHE 25 -8.743 10.854 -0.072 350 HD2 PHE 25 HD2 PHE 25 -9.098 10.000 -1.729 351 HE1 PHE 25 HE1 PHE 25 -3.853 11.133 0.379 352 HE1 PHE 25 HE1 PHE 25 -6.668 12.253 1.906 353 HE2 PHE 25 HE2 PHE 25 -7.710 12.889 0.846 354 HE2 PHE 25 HE2 PHE 25 -9.576 12.357 -1.210 355 HZ PHE 25 HZ PHE 25 -5.261 13.031 1.072 356 HZ PHE 25 HZ PHE 25 -8.359 13.487 0.609 357 H ASN 26 H ASN 26 -9.151 8.331 2.297 358 H ASN 26 H ASN 26 -9.399 8.352 2.290 359 HA ASN 26 HA ASN 26 -11.857 7.806 1.355 360 HA ASN 26 HA ASN 26 -11.926 8.319 0.773 361 HB2 ASN 26 HB2 ASN 26 -11.049 7.073 3.630 362 HB2 ASN 26 HB2 ASN 26 -11.918 6.688 2.624 363 HB3 ASN 26 HB3 ASN 26 -10.998 8.773 4.086 364 HB3 ASN 26 HB3 ASN 26 -11.556 7.986 3.758 365 HD21 ASN 26 HD21 ASN 26 -13.315 6.839 2.224 366 HD21 ASN 26 HD21 ASN 26 -13.631 6.754 4.520 367 HD22 ASN 26 HD22 ASN 26 -14.686 7.233 3.199 368 HD22 ASN 26 HD22 ASN 26 -15.115 7.524 4.086 369 H HIS 27 H HIS 27 -13.030 9.344 0.441 370 H HIS 27 H HIS 27 -12.840 10.231 0.436 371 HA HIS 27 HA HIS 27 -12.223 12.111 0.586 372 HA HIS 27 HA HIS 27 -11.676 12.629 1.435 373 HB2 HIS 27 HB2 HIS 27 -14.022 12.509 -1.021 374 HB2 HIS 27 HB2 HIS 27 -13.651 13.717 0.291 375 HB3 HIS 27 HB3 HIS 27 -13.028 11.146 -1.531 376 HB3 HIS 27 HB3 HIS 27 -12.646 12.707 -0.742 377 HD1 HIS 27 HD1 HIS 27 -16.307 11.723 0.313 378 HD1 HIS 27 HD1 HIS 27 -13.655 10.326 -1.367 379 HD2 HIS 27 HD2 HIS 27 -14.472 8.952 -2.181 380 HD2 HIS 27 HD2 HIS 27 -16.289 12.978 0.448 381 HE1 HIS 27 HE1 HIS 27 -18.061 9.987 -0.169 382 HE1 HIS 27 HE1 HIS 27 -15.951 9.393 -1.797 383 H ILE 28 H ILE 28 -13.893 10.213 2.640 384 H ILE 28 H ILE 28 -14.058 10.504 2.630 385 HA ILE 28 HA ILE 28 -15.904 12.217 3.350 386 HA ILE 28 HA ILE 28 -15.514 12.436 4.182 387 HB ILE 28 HB ILE 28 -15.473 9.401 4.347 388 HB ILE 28 HB ILE 28 -15.440 9.425 4.421 389 HG12 ILE 28 HG12 ILE 28 -17.553 10.691 2.576 390 HG12 ILE 28 HG12 ILE 28 -17.171 11.332 2.865 391 HG13 ILE 28 HG13 ILE 28 -16.427 9.408 2.148 392 HG13 ILE 28 HG13 ILE 28 -16.325 9.900 2.292 393 HG21 ILE 28 HG21 ILE 28 -16.295 10.823 6.152 394 HG21 ILE 28 HG21 ILE 28 -16.176 10.634 6.468 395 HG22 ILE 28 HG22 ILE 28 -17.613 11.379 5.121 396 HG22 ILE 28 HG22 ILE 28 -17.476 11.354 5.520 397 HG23 ILE 28 HG23 ILE 28 -17.537 9.689 5.622 398 HG23 ILE 28 HG23 ILE 28 -17.421 9.608 5.758 399 HD11 ILE 28 HD11 ILE 28 -17.580 7.908 3.710 400 HD11 ILE 28 HD11 ILE 28 -17.890 8.556 3.742 401 HD12 ILE 28 HD12 ILE 28 -18.734 9.193 4.066 402 HD12 ILE 28 HD12 ILE 28 -18.825 10.039 3.940 403 HD13 ILE 28 HD13 ILE 28 -18.643 8.513 2.440 404 HD13 ILE 28 HD13 ILE 28 -18.604 9.344 2.336 405 H THR 29 H THR 29 -13.127 10.502 4.715 406 H THR 29 H THR 29 -12.965 10.065 4.818 407 HA THR 29 HA THR 29 -13.087 12.466 6.915 408 HA THR 29 HA THR 29 -12.810 10.821 7.613 409 HB THR 29 HB THR 29 -11.833 10.789 8.234 410 HB THR 29 HB THR 29 -10.994 9.171 7.762 411 HG1 THR 29 HG1 THR 29 -11.712 8.658 7.435 412 HG1 THR 29 HG1 THR 29 -10.054 8.404 6.012 413 HG21 THR 29 HG21 THR 29 -13.801 9.100 8.379 414 HG21 THR 29 HG21 THR 29 -12.392 7.177 6.796 415 HG22 THR 29 HG22 THR 29 -14.578 10.166 7.209 416 HG22 THR 29 HG22 THR 29 -13.605 8.426 6.514 417 HG23 THR 29 HG23 THR 29 -14.092 10.791 8.783 418 HG23 THR 29 HG23 THR 29 -13.014 8.122 8.147 419 H ASN 30 H ASN 30 -11.734 12.022 4.067 420 H ASN 30 H ASN 30 -11.245 11.592 4.623 421 HA ASN 30 HA ASN 30 -9.700 12.401 3.094 422 HA ASN 30 HA ASN 30 -9.672 13.145 4.081 423 HB2 ASN 30 HB2 ASN 30 -8.919 14.294 5.236 424 HB2 ASN 30 HB2 ASN 30 -10.991 14.306 6.123 425 HB3 ASN 30 HB3 ASN 30 -8.981 14.528 3.492 426 HB3 ASN 30 HB3 ASN 30 -9.391 14.182 6.848 427 HD21 ASN 30 HD21 ASN 30 -11.434 14.187 2.729 428 HD21 ASN 30 HD21 ASN 30 -7.795 14.547 4.631 429 HD22 ASN 30 HD22 ASN 30 -12.545 15.213 3.563 430 HD22 ASN 30 HD22 ASN 30 -7.999 16.160 4.043 431 H ALA 31 H ALA 31 -9.763 10.282 5.115 432 H ALA 31 H ALA 31 -8.890 10.533 4.873 433 HA ALA 31 HA ALA 31 -7.124 10.446 6.356 434 HA ALA 31 HA ALA 31 -6.102 11.056 5.462 435 HB1 ALA 31 HB1 ALA 31 -9.298 8.369 6.580 436 HB1 ALA 31 HB1 ALA 31 -5.897 9.948 7.449 437 HB2 ALA 31 HB2 ALA 31 -7.763 8.320 7.445 438 HB2 ALA 31 HB2 ALA 31 -7.515 10.623 7.648 439 HB3 ALA 31 HB3 ALA 31 -8.909 9.624 7.755 440 HB3 ALA 31 HB3 ALA 31 -7.315 8.939 7.162 441 H SER 32 H SER 32 -5.481 8.926 5.983 442 H SER 32 H SER 32 -4.725 9.465 4.704 443 HA SER 32 HA SER 32 -5.787 7.288 3.557 444 HA SER 32 HA SER 32 -5.997 7.457 2.989 445 HB2 SER 32 HB2 SER 32 -4.405 8.786 2.566 446 HB2 SER 32 HB2 SER 32 -3.314 7.389 2.381 447 HB3 SER 32 HB3 SER 32 -3.858 9.447 4.107 448 HB3 SER 32 HB3 SER 32 -4.524 8.345 1.527 449 HG SER 32 HG SER 32 -2.539 7.835 2.524 450 HG SER 32 HG SER 32 -3.740 10.109 2.384 451 H GLN 33 H GLN 33 -5.209 5.231 3.809 452 H GLN 33 H GLN 33 -4.743 5.371 2.746 453 HA GLN 33 HA GLN 33 -3.382 4.541 6.011 454 HA GLN 33 HA GLN 33 -3.103 4.467 4.887 455 HB2 GLN 33 HB2 GLN 33 -6.076 3.971 6.003 456 HB2 GLN 33 HB2 GLN 33 -5.244 4.522 6.085 457 HB3 GLN 33 HB3 GLN 33 -5.370 2.488 5.376 458 HB3 GLN 33 HB3 GLN 33 -5.965 3.494 4.853 459 HG2 GLN 33 HG2 GLN 33 -4.460 1.929 7.346 460 HG2 GLN 33 HG2 GLN 33 -4.623 1.647 5.486 461 HG3 GLN 33 HG3 GLN 33 -4.030 3.593 7.739 462 HG3 GLN 33 HG3 GLN 33 -3.608 2.655 6.515 463 HE21 GLN 33 HE21 GLN 33 -7.162 2.126 6.990 464 HE21 GLN 33 HE21 GLN 33 -6.625 0.990 6.207 465 HE22 GLN 33 HE22 GLN 33 -7.917 2.555 8.484 466 HE22 GLN 33 HE22 GLN 33 -7.123 1.150 7.853 467 H PHE 34 H PHE 34 -2.953 1.962 5.689 468 H PHE 34 H PHE 34 -1.928 2.789 4.196 469 HA PHE 34 HA PHE 34 -2.257 1.547 2.864 470 HA PHE 34 HA PHE 34 -2.292 1.775 1.568 471 HB2 PHE 34 HB2 PHE 34 -0.446 1.893 5.102 472 HB2 PHE 34 HB2 PHE 34 -0.480 0.753 3.765 473 HB3 PHE 34 HB3 PHE 34 -0.209 0.333 4.323 474 HB3 PHE 34 HB3 PHE 34 -0.347 0.371 2.053 475 HD1 PHE 34 HD1 PHE 34 1.513 0.336 2.821 476 HD1 PHE 34 HD1 PHE 34 0.944 2.341 4.588 477 HD2 PHE 34 HD2 PHE 34 -0.928 3.807 3.155 478 HD2 PHE 34 HD2 PHE 34 -0.247 2.561 0.507 479 HE1 PHE 34 HE1 PHE 34 2.823 1.424 1.044 480 HE1 PHE 34 HE1 PHE 34 2.404 4.295 4.272 481 HE2 PHE 34 HE2 PHE 34 0.377 4.900 1.379 482 HE2 PHE 34 HE2 PHE 34 1.213 4.515 0.185 483 HZ PHE 34 HZ PHE 34 2.255 3.707 0.319 484 HZ PHE 34 HZ PHE 34 2.541 5.385 2.066 485 H GLU 35 H GLU 35 -4.437 0.487 4.460 486 H GLU 35 H GLU 35 -2.990 0.539 4.787 487 HA GLU 35 HA GLU 35 -3.955 -2.332 3.959 488 HA GLU 35 HA GLU 35 -3.784 -2.057 3.793 489 HB2 GLU 35 HB2 GLU 35 -4.371 -1.176 6.678 490 HB2 GLU 35 HB2 GLU 35 -4.323 -0.984 6.553 491 HB3 GLU 35 HB3 GLU 35 -5.131 -2.716 6.306 492 HB3 GLU 35 HB3 GLU 35 -4.145 -2.658 6.050 493 HG2 GLU 35 HG2 GLU 35 -3.155 -3.437 7.173 494 HG2 GLU 35 HG2 GLU 35 -2.116 -2.372 6.996 495 HG3 GLU 35 HG3 GLU 35 -2.728 -3.342 5.466 496 HG3 GLU 35 HG3 GLU 35 -1.730 -1.803 5.373 497 H ARG 36 H ARG 36 -6.002 -3.615 4.246 498 H ARG 36 H ARG 36 -5.872 -2.878 3.728 499 HA ARG 36 HA ARG 36 -8.071 -2.490 2.749 500 HA ARG 36 HA ARG 36 -7.918 -0.966 3.131 501 HB2 ARG 36 HB2 ARG 36 -7.587 -4.947 3.078 502 HB2 ARG 36 HB2 ARG 36 -7.571 -3.235 2.014 503 HB3 ARG 36 HB3 ARG 36 -8.360 -4.815 4.652 504 HB3 ARG 36 HB3 ARG 36 -8.302 -3.937 3.451 505 HG2 ARG 36 HG2 ARG 36 -9.881 -5.714 2.975 506 HG2 ARG 36 HG2 ARG 36 -10.278 -2.402 3.004 507 HG3 ARG 36 HG3 ARG 36 -10.447 -4.160 3.593 508 HG3 ARG 36 HG3 ARG 36 -9.555 -2.128 1.417 509 HD2 ARG 36 HD2 ARG 36 -10.334 -3.210 1.577 510 HD2 ARG 36 HD2 ARG 36 -10.070 -4.201 0.678 511 HD3 ARG 36 HD3 ARG 36 -8.725 -3.868 1.275 512 HD3 ARG 36 HD3 ARG 36 -9.798 -4.944 2.254 513 HE ARG 36 HE ARG 36 -9.702 -5.463 -0.019 514 HE ARG 36 HE ARG 36 -12.086 -3.481 2.563 515 HH11 ARG 36 HH11 ARG 36 -12.084 -4.248 2.210 516 HH11 ARG 36 HH11 ARG 36 -11.035 -6.007 0.408 517 HH12 ARG 36 HH12 ARG 36 -13.377 -5.188 1.543 518 HH12 ARG 36 HH12 ARG 36 -12.625 -6.659 0.188 519 HH21 ARG 36 HH21 ARG 36 -11.398 -6.704 -0.908 520 HH21 ARG 36 HH21 ARG 36 -14.183 -4.332 2.281 521 HH22 ARG 36 HH22 ARG 36 -12.987 -6.585 -0.230 522 HH22 ARG 36 HH22 ARG 36 -14.415 -5.707 1.254 523 HA PRO 37 HA PRO 37 -9.864 -0.004 6.023 524 HA PRO 37 HA PRO 37 -9.300 -0.681 7.371 525 HB2 PRO 37 HB2 PRO 37 -11.657 1.249 4.413 526 HB2 PRO 37 HB2 PRO 37 -11.254 1.139 6.881 527 HB3 PRO 37 HB3 PRO 37 -9.951 1.708 4.492 528 HB3 PRO 37 HB3 PRO 37 -9.543 1.570 6.986 529 HG2 PRO 37 HG2 PRO 37 -11.363 0.006 2.474 530 HG2 PRO 37 HG2 PRO 37 -11.233 1.107 4.560 531 HG3 PRO 37 HG3 PRO 37 -10.149 1.273 2.216 532 HG3 PRO 37 HG3 PRO 37 -10.035 2.379 4.863 533 HD2 PRO 37 HD2 PRO 37 -9.535 -1.364 2.171 534 HD2 PRO 37 HD2 PRO 37 -9.488 0.187 3.371 535 HD3 PRO 37 HD3 PRO 37 -8.394 -0.129 2.737 536 HD3 PRO 37 HD3 PRO 37 -8.258 0.999 4.360 537 H SER 38 H SER 38 -11.213 -0.970 7.399 538 H SER 38 H SER 38 -11.097 -1.369 8.553 539 HA SER 38 HA SER 38 -13.620 -2.287 6.322 540 HA SER 38 HA SER 38 -12.692 -3.371 7.321 541 HB2 SER 38 HB2 SER 38 -12.895 -2.989 9.070 542 HB2 SER 38 HB2 SER 38 -13.782 -3.542 9.547 543 HB3 SER 38 HB3 SER 38 -13.280 -4.037 7.704 544 HB3 SER 38 HB3 SER 38 -12.022 -3.587 9.650 545 HG SER 38 HG SER 38 -11.132 -4.337 8.316 546 HG SER 38 HG SER 38 -12.174 -1.939 10.925 547 H GLY 39 H GLY 39 -15.599 -1.997 7.397 548 H GLY 39 H GLY 39 -13.822 -0.526 9.154 549 HA2 GLY 39 HA2 GLY 39 -15.939 -0.460 9.738 550 HA2 GLY 39 HA2 GLY 39 -15.251 1.048 7.763 551 HA3 GLY 39 HA3 GLY 39 -16.122 0.584 8.336 552 HA3 GLY 39 HA3 GLY 39 -16.130 -0.407 7.315 Start of MODEL 2 1 H1 SER 5 H SER 5 -8.823 -2.707 -5.721 2 H1 SER 5 H SER 5 -11.294 -2.460 -6.352 3 HA SER 5 HA SER 5 -10.559 -3.730 -7.387 4 HA SER 5 HA SER 5 -12.321 -4.527 -6.729 5 HB2 SER 5 HB2 SER 5 -8.723 -4.881 -5.669 6 HB2 SER 5 HB2 SER 5 -10.018 -6.151 -5.817 7 HB3 SER 5 HB3 SER 5 -10.227 -5.705 -5.254 8 HB3 SER 5 HB3 SER 5 -11.119 -6.413 -7.169 9 HG SER 5 HG SER 5 -8.977 -6.665 -7.005 10 HG SER 5 HG SER 5 -8.864 -4.710 -7.046 11 H LYS 6 H LYS 6 -11.188 -3.943 -3.884 12 H LYS 6 H LYS 6 -13.739 -4.532 -5.110 13 HA LYS 6 HA LYS 6 -14.041 -3.662 -4.401 14 HA LYS 6 HA LYS 6 -14.688 -4.935 -3.081 15 HB2 LYS 6 HB2 LYS 6 -13.039 -5.935 -2.692 16 HB2 LYS 6 HB2 LYS 6 -12.168 -6.390 -2.301 17 HB3 LYS 6 HB3 LYS 6 -14.689 -5.629 -3.218 18 HB3 LYS 6 HB3 LYS 6 -13.802 -6.657 -1.708 19 HG2 LYS 6 HG2 LYS 6 -14.127 -6.176 -5.487 20 HG2 LYS 6 HG2 LYS 6 -14.087 -7.104 -4.387 21 HG3 LYS 6 HG3 LYS 6 -12.419 -6.325 -5.067 22 HG3 LYS 6 HG3 LYS 6 -12.463 -7.720 -4.072 23 HD2 LYS 6 HD2 LYS 6 -12.923 -8.519 -4.907 24 HD2 LYS 6 HD2 LYS 6 -13.220 -9.443 -2.823 25 HD3 LYS 6 HD3 LYS 6 -13.503 -8.059 -3.304 26 HD3 LYS 6 HD3 LYS 6 -14.514 -8.484 -2.099 27 HE2 LYS 6 HE2 LYS 6 -15.397 -9.070 -3.988 28 HE2 LYS 6 HE2 LYS 6 -15.875 -8.735 -4.059 29 HE3 LYS 6 HE3 LYS 6 -15.694 -7.525 -4.783 30 HE3 LYS 6 HE3 LYS 6 -14.555 -9.511 -4.932 31 HZ1 LYS 6 HZ1 LYS 6 -15.321 -8.394 -6.814 32 HZ1 LYS 6 HZ1 LYS 6 -14.666 -11.371 -3.424 33 HZ2 LYS 6 HZ2 LYS 6 -15.762 -9.842 -6.058 34 HZ2 LYS 6 HZ2 LYS 6 -16.192 -11.108 -4.102 35 HZ3 LYS 6 HZ3 LYS 6 -14.127 -9.466 -6.279 36 HZ3 LYS 6 HZ3 LYS 6 -15.876 -10.620 -2.514 37 H LEU 7 H LEU 7 -14.130 -1.747 -3.308 38 H LEU 7 H LEU 7 -14.893 -3.115 -1.942 39 HA LEU 7 HA LEU 7 -13.437 -1.843 -0.446 40 HA LEU 7 HA LEU 7 -13.141 -2.483 0.170 41 HB2 LEU 7 HB2 LEU 7 -13.062 0.288 -2.494 42 HB2 LEU 7 HB2 LEU 7 -12.117 -0.485 -0.549 43 HB3 LEU 7 HB3 LEU 7 -13.379 0.761 -0.826 44 HB3 LEU 7 HB3 LEU 7 -11.804 -1.683 -1.802 45 HG LEU 7 HG LEU 7 -11.368 -0.258 -0.068 46 HG LEU 7 HG LEU 7 -14.167 -0.288 -2.520 47 HD11 LEU 7 HD11 LEU 7 -9.863 -1.300 -1.936 48 HD11 LEU 7 HD11 LEU 7 -11.903 1.632 -2.089 49 HD12 LEU 7 HD12 LEU 7 -11.408 -1.582 -2.738 50 HD12 LEU 7 HD12 LEU 7 -13.175 1.414 -0.889 51 HD13 LEU 7 HD13 LEU 7 -11.105 -2.268 -1.142 52 HD13 LEU 7 HD13 LEU 7 -13.580 1.974 -2.513 53 HD21 LEU 7 HD21 LEU 7 -11.312 1.617 -2.309 54 HD21 LEU 7 HD21 LEU 7 -12.846 0.323 -4.468 55 HD22 LEU 7 HD22 LEU 7 -9.791 0.759 -2.057 56 HD22 LEU 7 HD22 LEU 7 -12.571 -1.365 -4.037 57 HD23 LEU 7 HD23 LEU 7 -10.505 1.694 -0.742 58 HD23 LEU 7 HD23 LEU 7 -11.365 -0.141 -3.629 59 HA PRO 8 HA PRO 8 -17.587 -0.835 0.561 60 HA PRO 8 HA PRO 8 -16.712 -0.344 1.559 61 HB2 PRO 8 HB2 PRO 8 -17.266 0.802 2.703 62 HB2 PRO 8 HB2 PRO 8 -15.625 1.527 3.199 63 HB3 PRO 8 HB3 PRO 8 -16.967 -0.939 2.770 64 HB3 PRO 8 HB3 PRO 8 -15.686 -0.191 3.609 65 HG2 PRO 8 HG2 PRO 8 -15.013 1.307 2.464 66 HG2 PRO 8 HG2 PRO 8 -13.413 1.410 2.501 67 HG3 PRO 8 HG3 PRO 8 -14.898 -0.146 3.474 68 HG3 PRO 8 HG3 PRO 8 -13.400 0.184 3.782 69 HD2 PRO 8 HD2 PRO 8 -13.627 0.077 1.093 70 HD2 PRO 8 HD2 PRO 8 -12.626 -0.351 1.243 71 HD3 PRO 8 HD3 PRO 8 -14.234 -1.473 1.711 72 HD3 PRO 8 HD3 PRO 8 -13.401 -1.565 2.281 73 HA PRO 9 HA PRO 9 -18.942 3.022 -1.059 74 HA PRO 9 HA PRO 9 -17.459 3.239 -0.888 75 HB2 PRO 9 HB2 PRO 9 -20.949 3.760 0.614 76 HB2 PRO 9 HB2 PRO 9 -19.381 4.472 0.579 77 HB3 PRO 9 HB3 PRO 9 -21.095 2.419 -0.528 78 HB3 PRO 9 HB3 PRO 9 -19.677 2.995 -0.346 79 HG2 PRO 9 HG2 PRO 9 -20.493 2.353 2.403 80 HG2 PRO 9 HG2 PRO 9 -19.134 3.320 2.580 81 HG3 PRO 9 HG3 PRO 9 -21.575 1.313 1.460 82 HG3 PRO 9 HG3 PRO 9 -20.324 2.283 1.771 83 HD2 PRO 9 HD2 PRO 9 -19.088 0.538 2.198 84 HD2 PRO 9 HD2 PRO 9 -17.966 1.337 2.707 85 HD3 PRO 9 HD3 PRO 9 -19.844 0.003 0.684 86 HD3 PRO 9 HD3 PRO 9 -18.760 0.665 1.268 87 H GLY 10 H GLY 10 -17.616 4.736 -0.981 88 H GLY 10 H GLY 10 -16.906 5.394 -1.084 89 HA2 GLY 10 HA2 GLY 10 -17.541 6.987 0.109 90 HA2 GLY 10 HA2 GLY 10 -16.287 7.534 -0.312 91 HA3 GLY 10 HA3 GLY 10 -17.302 6.114 1.616 92 HA3 GLY 10 HA3 GLY 10 -16.103 6.872 1.305 93 H TRP 11 H TRP 11 -15.556 4.137 0.192 94 H TRP 11 H TRP 11 -14.480 4.610 0.301 95 HA TRP 11 HA TRP 11 -13.110 5.726 0.369 96 HA TRP 11 HA TRP 11 -11.940 6.033 0.247 97 HB2 TRP 11 HB2 TRP 11 -13.744 2.807 0.582 98 HB2 TRP 11 HB2 TRP 11 -12.482 3.063 0.456 99 HB3 TRP 11 HB3 TRP 11 -12.106 3.305 0.169 100 HB3 TRP 11 HB3 TRP 11 -10.930 3.858 0.702 101 HD1 TRP 11 HD1 TRP 11 -14.616 3.360 3.052 102 HD1 TRP 11 HD1 TRP 11 -14.404 3.557 2.349 103 HE1 TRP 11 HE1 TRP 11 -13.364 3.940 5.224 104 HE1 TRP 11 HE1 TRP 11 -14.153 4.081 4.857 105 HE3 TRP 11 HE3 TRP 11 -10.053 4.533 1.070 106 HE3 TRP 11 HE3 TRP 11 -9.491 4.976 2.394 107 HZ2 TRP 11 HZ2 TRP 11 -10.784 4.782 5.996 108 HZ2 TRP 11 HZ2 TRP 11 -12.140 4.979 6.620 109 HZ3 TRP 11 HZ3 TRP 11 -8.246 5.218 2.595 110 HZ3 TRP 11 HZ3 TRP 11 -8.480 5.653 4.531 111 HH2 TRP 11 HH2 TRP 11 -8.606 5.340 5.006 112 HH2 TRP 11 HH2 TRP 11 -9.779 5.654 6.599 113 H GLU 12 H GLU 12 -11.404 5.465 -1.202 114 H GLU 12 H GLU 12 -10.477 5.974 -1.403 115 HA GLU 12 HA GLU 12 -12.332 4.601 -3.855 116 HA GLU 12 HA GLU 12 -11.379 4.683 -3.894 117 HB2 GLU 12 HB2 GLU 12 -12.471 7.072 -3.662 118 HB2 GLU 12 HB2 GLU 12 -9.521 7.050 -3.735 119 HB3 GLU 12 HB3 GLU 12 -10.752 7.117 -3.297 120 HB3 GLU 12 HB3 GLU 12 -10.382 6.441 -5.141 121 HG2 GLU 12 HG2 GLU 12 -10.334 6.049 -5.515 122 HG2 GLU 12 HG2 GLU 12 -12.475 6.999 -3.590 123 HG3 GLU 12 HG3 GLU 12 -12.049 6.255 -5.869 124 HG3 GLU 12 HG3 GLU 12 -11.326 8.165 -2.936 125 H LYS 13 H LYS 13 -11.055 3.047 -4.578 126 H LYS 13 H LYS 13 -9.962 3.452 -5.053 127 HA LYS 13 HA LYS 13 -8.442 2.601 -3.458 128 HA LYS 13 HA LYS 13 -7.419 2.826 -3.720 129 HB2 LYS 13 HB2 LYS 13 -9.950 0.733 -4.046 130 HB2 LYS 13 HB2 LYS 13 -8.780 0.883 -3.914 131 HB3 LYS 13 HB3 LYS 13 -9.842 1.192 -5.740 132 HB3 LYS 13 HB3 LYS 13 -9.174 1.240 -5.590 133 HG2 LYS 13 HG2 LYS 13 -7.256 0.759 -4.436 134 HG2 LYS 13 HG2 LYS 13 -6.325 0.981 -5.223 135 HG3 LYS 13 HG3 LYS 13 -8.286 -0.672 -4.525 136 HG3 LYS 13 HG3 LYS 13 -7.181 -0.454 -4.658 137 HD2 LYS 13 HD2 LYS 13 -8.431 -0.529 -6.889 138 HD2 LYS 13 HD2 LYS 13 -8.474 -0.042 -6.976 139 HD3 LYS 13 HD3 LYS 13 -7.720 1.086 -6.903 140 HD3 LYS 13 HD3 LYS 13 -6.902 0.647 -7.390 141 HE2 LYS 13 HE2 LYS 13 -5.598 0.303 -6.628 142 HE2 LYS 13 HE2 LYS 13 -6.898 -1.975 -6.013 143 HE3 LYS 13 HE3 LYS 13 -6.120 -1.103 -5.701 144 HE3 LYS 13 HE3 LYS 13 -7.483 -1.949 -7.676 145 HZ1 LYS 13 HZ1 LYS 13 -7.164 -1.469 -8.212 146 HZ1 LYS 13 HZ1 LYS 13 -4.913 -2.180 -7.006 147 HZ2 LYS 13 HZ2 LYS 13 -5.829 -2.268 -7.549 148 HZ2 LYS 13 HZ2 LYS 13 -5.017 -0.503 -7.201 149 HZ3 LYS 13 HZ3 LYS 13 -5.602 -0.879 -8.489 150 HZ3 LYS 13 HZ3 LYS 13 -5.442 -1.530 -8.476 151 H ARG 14 H ARG 14 -6.813 3.870 -4.075 152 H ARG 14 H ARG 14 -5.681 3.743 -4.574 153 HA ARG 14 HA ARG 14 -6.596 4.591 -6.921 154 HA ARG 14 HA ARG 14 -5.517 3.986 -7.502 155 HB2 ARG 14 HB2 ARG 14 -5.296 5.931 -4.543 156 HB2 ARG 14 HB2 ARG 14 -4.254 6.010 -5.678 157 HB3 ARG 14 HB3 ARG 14 -5.221 6.473 -6.214 158 HB3 ARG 14 HB3 ARG 14 -4.632 6.152 -7.390 159 HG2 ARG 14 HG2 ARG 14 -7.948 6.151 -5.266 160 HG2 ARG 14 HG2 ARG 14 -7.096 5.747 -6.217 161 HG3 ARG 14 HG3 ARG 14 -7.020 7.309 -4.312 162 HG3 ARG 14 HG3 ARG 14 -6.248 6.785 -5.069 163 HD2 ARG 14 HD2 ARG 14 -8.159 8.412 -6.163 164 HD2 ARG 14 HD2 ARG 14 -5.786 8.398 -6.803 165 HD3 ARG 14 HD3 ARG 14 -6.409 8.506 -6.350 166 HD3 ARG 14 HD3 ARG 14 -6.480 7.332 -8.025 167 HE ARG 14 HE ARG 14 -7.007 6.332 -7.796 168 HE ARG 14 HE ARG 14 -8.282 8.078 -5.894 169 HH11 ARG 14 HH11 ARG 14 -8.392 9.525 -7.720 170 HH11 ARG 14 HH11 ARG 14 -7.055 8.841 -9.062 171 HH12 ARG 14 HH12 ARG 14 -8.861 9.503 -9.389 172 HH12 ARG 14 HH12 ARG 14 -8.443 9.774 -9.515 173 HH21 ARG 14 HH21 ARG 14 -7.620 6.291 -9.993 174 HH21 ARG 14 HH21 ARG 14 -10.113 9.305 -6.480 175 HH22 ARG 14 HH22 ARG 14 -8.423 7.662 -10.680 176 HH22 ARG 14 HH22 ARG 14 -10.180 10.038 -8.047 177 H MET 15 H MET 15 -4.295 4.861 -7.689 178 H MET 15 H MET 15 -3.428 3.804 -8.405 179 HA MET 15 HA MET 15 -2.487 2.909 -6.443 180 HA MET 15 HA MET 15 -1.501 2.465 -6.630 181 HB2 MET 15 HB2 MET 15 -3.872 2.228 -8.638 182 HB2 MET 15 HB2 MET 15 -2.614 1.609 -9.029 183 HB3 MET 15 HB3 MET 15 -2.515 3.038 -9.408 184 HB3 MET 15 HB3 MET 15 -1.006 2.156 -9.481 185 HG2 MET 15 HG2 MET 15 -1.609 1.229 -7.357 186 HG2 MET 15 HG2 MET 15 -0.264 0.172 -8.837 187 HG3 MET 15 HG3 MET 15 -2.633 0.404 -8.530 188 HG3 MET 15 HG3 MET 15 -0.589 0.677 -7.181 189 HE1 MET 15 HE1 MET 15 0.197 -0.916 -10.237 190 HE1 MET 15 HE1 MET 15 -1.542 -1.029 -10.255 191 HE2 MET 15 HE2 MET 15 -1.385 -1.052 -9.470 192 HE2 MET 15 HE2 MET 15 -1.405 -2.548 -9.369 193 HE3 MET 15 HE3 MET 15 -1.254 -0.444 -11.120 194 HE3 MET 15 HE3 MET 15 -2.984 -1.993 -9.933 195 H SER 16 H SER 16 -0.258 3.248 -6.849 196 H SER 16 H SER 16 -0.003 3.874 -5.980 197 HA SER 16 HA SER 16 0.368 6.041 -7.437 198 HA SER 16 HA SER 16 0.749 6.183 -7.461 199 HB2 SER 16 HB2 SER 16 1.815 3.829 -6.006 200 HB2 SER 16 HB2 SER 16 1.153 5.192 -4.838 201 HB3 SER 16 HB3 SER 16 2.691 5.254 -6.564 202 HB3 SER 16 HB3 SER 16 2.752 5.479 -5.527 203 HG SER 16 HG SER 16 1.812 6.387 -5.022 204 HG SER 16 HG SER 16 0.763 7.428 -5.850 205 H ARG 17 H ARG 17 2.218 6.583 -8.764 206 H ARG 17 H ARG 17 1.766 5.974 -9.353 207 HA ARG 17 HA ARG 17 2.726 4.586 -10.871 208 HA ARG 17 HA ARG 17 3.326 3.853 -10.212 209 HB2 ARG 17 HB2 ARG 17 2.596 7.586 -11.216 210 HB2 ARG 17 HB2 ARG 17 4.025 5.240 -12.022 211 HB3 ARG 17 HB3 ARG 17 2.843 6.395 -12.487 212 HB3 ARG 17 HB3 ARG 17 2.374 5.704 -11.627 213 HG2 ARG 17 HG2 ARG 17 0.641 5.694 -12.439 214 HG2 ARG 17 HG2 ARG 17 3.780 7.427 -10.076 215 HG3 ARG 17 HG3 ARG 17 0.379 6.301 -10.803 216 HG3 ARG 17 HG3 ARG 17 4.860 7.246 -11.461 217 HD2 ARG 17 HD2 ARG 17 -0.707 7.614 -12.676 218 HD2 ARG 17 HD2 ARG 17 3.299 9.110 -11.763 219 HD3 ARG 17 HD3 ARG 17 0.277 8.538 -11.541 220 HD3 ARG 17 HD3 ARG 17 3.055 7.849 -12.971 221 HE ARG 17 HE ARG 17 1.689 7.656 -13.893 222 HE ARG 17 HE ARG 17 1.350 7.583 -10.677 223 HH11 ARG 17 HH11 ARG 17 -0.266 10.161 -12.471 224 HH11 ARG 17 HH11 ARG 17 1.745 9.107 -13.781 225 HH12 ARG 17 HH12 ARG 17 0.300 11.395 -13.548 226 HH12 ARG 17 HH12 ARG 17 0.047 9.346 -14.026 227 HH21 ARG 17 HH21 ARG 17 2.442 9.272 -15.317 228 HH21 ARG 17 HH21 ARG 17 -0.890 7.891 -10.988 229 HH22 ARG 17 HH22 ARG 17 1.840 10.888 -15.166 230 HH22 ARG 17 HH22 ARG 17 -1.451 8.656 -12.436 231 H ASN 18 H ASN 18 4.362 4.635 -8.682 232 H ASN 18 H ASN 18 5.728 4.261 -10.953 233 HA ASN 18 HA ASN 18 6.888 5.353 -9.889 234 HA ASN 18 HA ASN 18 7.905 4.275 -10.289 235 HB2 ASN 18 HB2 ASN 18 5.715 7.195 -8.159 236 HB2 ASN 18 HB2 ASN 18 6.858 6.850 -9.814 237 HB3 ASN 18 HB3 ASN 18 6.883 6.341 -7.153 238 HB3 ASN 18 HB3 ASN 18 7.837 6.456 -8.404 239 HD21 ASN 18 HD21 ASN 18 8.998 6.762 -7.383 240 HD21 ASN 18 HD21 ASN 18 8.122 8.272 -10.836 241 HD22 ASN 18 HD22 ASN 18 9.658 7.866 -8.537 242 HD22 ASN 18 HD22 ASN 18 9.720 7.938 -11.406 243 H SER 19 H SER 19 5.452 4.426 -6.757 244 H SER 19 H SER 19 5.847 2.872 -8.639 245 HA SER 19 HA SER 19 7.614 2.512 -6.340 246 HA SER 19 HA SER 19 7.536 1.889 -6.625 247 HB2 SER 19 HB2 SER 19 6.808 2.324 -4.078 248 HB2 SER 19 HB2 SER 19 6.392 2.723 -4.613 249 HB3 SER 19 HB3 SER 19 6.844 4.036 -4.497 250 HB3 SER 19 HB3 SER 19 7.099 4.050 -5.536 251 HG SER 19 HG SER 19 4.580 3.851 -4.951 252 HG SER 19 HG SER 19 4.381 3.265 -5.400 253 H GLY 20 H GLY 20 4.227 2.621 -7.137 254 H GLY 20 H GLY 20 4.248 2.402 -7.753 255 HA2 GLY 20 HA2 GLY 20 3.086 0.874 -8.236 256 HA2 GLY 20 HA2 GLY 20 2.462 0.972 -7.940 257 HA3 GLY 20 HA3 GLY 20 4.292 -0.258 -7.641 258 HA3 GLY 20 HA3 GLY 20 3.643 -0.328 -7.909 259 H ARG 21 H ARG 21 4.028 0.892 -4.889 260 H ARG 21 H ARG 21 2.577 2.055 -5.484 261 HA ARG 21 HA ARG 21 2.314 -0.961 -3.779 262 HA ARG 21 HA ARG 21 2.105 -0.195 -3.644 263 HB2 ARG 21 HB2 ARG 21 3.434 1.637 -2.803 264 HB2 ARG 21 HB2 ARG 21 3.516 2.302 -3.336 265 HB3 ARG 21 HB3 ARG 21 2.236 0.798 -1.828 266 HB3 ARG 21 HB3 ARG 21 2.209 2.193 -2.166 267 HG2 ARG 21 HG2 ARG 21 3.649 -0.899 -1.296 268 HG2 ARG 21 HG2 ARG 21 3.229 0.584 -0.983 269 HG3 ARG 21 HG3 ARG 21 4.543 -0.779 -2.813 270 HG3 ARG 21 HG3 ARG 21 3.829 -0.238 -2.426 271 HD2 ARG 21 HD2 ARG 21 5.948 -0.072 -0.978 272 HD2 ARG 21 HD2 ARG 21 5.730 0.562 -1.259 273 HD3 ARG 21 HD3 ARG 21 5.573 1.309 -2.010 274 HD3 ARG 21 HD3 ARG 21 5.511 1.620 -2.652 275 HE ARG 21 HE ARG 21 4.545 0.822 0.688 276 HE ARG 21 HE ARG 21 5.001 2.305 0.152 277 HH11 ARG 21 HH11 ARG 21 4.761 2.857 -2.130 278 HH11 ARG 21 HH11 ARG 21 5.164 3.239 -3.199 279 HH12 ARG 21 HH12 ARG 21 4.142 4.260 -1.324 280 HH12 ARG 21 HH12 ARG 21 5.140 4.936 -2.861 281 HH21 ARG 21 HH21 ARG 21 3.729 2.663 1.759 282 HH21 ARG 21 HH21 ARG 21 4.969 4.540 0.608 283 HH22 ARG 21 HH22 ARG 21 3.556 4.149 0.888 284 HH22 ARG 21 HH22 ARG 21 5.030 5.676 -0.695 285 H VAL 22 H VAL 22 0.304 -0.530 -2.511 286 H VAL 22 H VAL 22 -0.039 -0.521 -4.370 287 HA VAL 22 HA VAL 22 -1.518 1.143 -4.103 288 HA VAL 22 HA VAL 22 -2.019 1.422 -4.606 289 HB VAL 22 HB VAL 22 -2.152 -1.201 -2.305 290 HB VAL 22 HB VAL 22 -2.098 -1.090 -5.219 291 HG11 VAL 22 HG11 VAL 22 -4.426 -1.010 -3.173 292 HG11 VAL 22 HG11 VAL 22 -3.290 -1.250 -2.456 293 HG12 VAL 22 HG12 VAL 22 -3.945 0.458 -2.321 294 HG12 VAL 22 HG12 VAL 22 -3.121 -2.559 -3.627 295 HG13 VAL 22 HG13 VAL 22 -3.964 0.427 -4.085 296 HG13 VAL 22 HG13 VAL 22 -1.689 -1.849 -2.883 297 HG21 VAL 22 HG21 VAL 22 -2.229 -2.545 -4.134 298 HG21 VAL 22 HG21 VAL 22 -3.908 0.474 -5.668 299 HG22 VAL 22 HG22 VAL 22 -2.706 -1.236 -5.216 300 HG22 VAL 22 HG22 VAL 22 -4.552 -1.080 -5.136 301 HG23 VAL 22 HG23 VAL 22 -1.022 -1.396 -4.714 302 HG23 VAL 22 HG23 VAL 22 -4.502 0.282 -4.017 303 H TYR 23 H TYR 23 -2.792 2.670 -3.158 304 H TYR 23 H TYR 23 -3.477 2.337 -3.218 305 HA TYR 23 HA TYR 23 -2.702 2.955 -0.242 306 HA TYR 23 HA TYR 23 -3.479 1.567 -0.411 307 HB2 TYR 23 HB2 TYR 23 -2.085 5.244 -0.317 308 HB2 TYR 23 HB2 TYR 23 -3.050 3.856 0.368 309 HB3 TYR 23 HB3 TYR 23 -0.951 4.410 -1.373 310 HB3 TYR 23 HB3 TYR 23 -1.680 3.226 -0.541 311 HD1 TYR 23 HD1 TYR 23 -0.977 4.778 -3.765 312 HD1 TYR 23 HD1 TYR 23 -4.155 5.830 -0.306 313 HD2 TYR 23 HD2 TYR 23 -3.792 6.726 -1.239 314 HD2 TYR 23 HD2 TYR 23 -1.359 3.979 -2.925 315 HE1 TYR 23 HE1 TYR 23 -1.559 6.305 -5.603 316 HE1 TYR 23 HE1 TYR 23 -4.228 7.806 -1.769 317 HE2 TYR 23 HE2 TYR 23 -4.383 8.258 -3.070 318 HE2 TYR 23 HE2 TYR 23 -1.423 5.950 -4.395 319 HH TYR 23 HH TYR 23 -2.716 8.114 -6.196 320 HH TYR 23 HH TYR 23 -1.983 8.297 -4.306 321 H TYR 24 H TYR 24 -4.508 3.884 0.675 322 H TYR 24 H TYR 24 -5.067 3.108 0.808 323 HA TYR 24 HA TYR 24 -6.779 4.268 -1.155 324 HA TYR 24 HA TYR 24 -7.387 3.597 -0.944 325 HB2 TYR 24 HB2 TYR 24 -6.830 3.586 1.791 326 HB2 TYR 24 HB2 TYR 24 -7.332 2.468 1.859 327 HB3 TYR 24 HB3 TYR 24 -8.223 3.679 0.720 328 HB3 TYR 24 HB3 TYR 24 -8.801 2.978 1.033 329 HD1 TYR 24 HD1 TYR 24 -7.801 2.164 -1.533 330 HD1 TYR 24 HD1 TYR 24 -9.823 1.602 -0.627 331 HD2 TYR 24 HD2 TYR 24 -6.180 1.450 2.334 332 HD2 TYR 24 HD2 TYR 24 -6.050 0.518 1.014 333 HE1 TYR 24 HE1 TYR 24 -7.539 -0.218 -2.090 334 HE1 TYR 24 HE1 TYR 24 -10.022 -0.623 -1.654 335 HE2 TYR 24 HE2 TYR 24 -5.911 -0.933 1.789 336 HE2 TYR 24 HE2 TYR 24 -6.238 -1.709 -0.010 337 HH TYR 24 HH TYR 24 -6.822 -2.585 0.264 338 HH TYR 24 HH TYR 24 -8.103 -2.478 -2.414 339 H PHE 25 H PHE 25 -8.298 5.946 -0.709 340 H PHE 25 H PHE 25 -7.995 5.646 -0.997 341 HA PHE 25 HA PHE 25 -7.387 8.063 1.099 342 HA PHE 25 HA PHE 25 -7.484 7.331 1.365 343 HB2 PHE 25 HB2 PHE 25 -6.867 8.238 -1.574 344 HB2 PHE 25 HB2 PHE 25 -5.971 8.028 -0.369 345 HB3 PHE 25 HB3 PHE 25 -8.429 9.043 -1.476 346 HB3 PHE 25 HB3 PHE 25 -7.267 8.049 -1.563 347 HD1 PHE 25 HD1 PHE 25 -5.354 9.954 -1.946 348 HD1 PHE 25 HD1 PHE 25 -8.321 10.040 -2.050 349 HD2 PHE 25 HD2 PHE 25 -8.240 10.345 1.158 350 HD2 PHE 25 HD2 PHE 25 -6.271 9.631 1.658 351 HE1 PHE 25 HE1 PHE 25 -4.242 12.008 -1.173 352 HE1 PHE 25 HE1 PHE 25 -8.726 12.419 -1.567 353 HE2 PHE 25 HE2 PHE 25 -7.133 12.401 1.935 354 HE2 PHE 25 HE2 PHE 25 -6.675 12.007 2.148 355 HZ PHE 25 HZ PHE 25 -5.132 13.234 0.768 356 HZ PHE 25 HZ PHE 25 -7.906 13.405 0.535 357 H ASN 26 H ASN 26 -9.015 8.494 2.420 358 H ASN 26 H ASN 26 -9.227 8.230 2.241 359 HA ASN 26 HA ASN 26 -11.759 7.995 1.548 360 HA ASN 26 HA ASN 26 -11.680 8.389 0.616 361 HB2 ASN 26 HB2 ASN 26 -10.867 7.091 3.735 362 HB2 ASN 26 HB2 ASN 26 -11.850 6.735 2.429 363 HB3 ASN 26 HB3 ASN 26 -10.815 8.753 4.316 364 HB3 ASN 26 HB3 ASN 26 -11.433 7.977 3.605 365 HD21 ASN 26 HD21 ASN 26 -13.171 6.939 2.384 366 HD21 ASN 26 HD21 ASN 26 -13.594 6.917 4.317 367 HD22 ASN 26 HD22 ASN 26 -14.516 7.248 3.424 368 HD22 ASN 26 HD22 ASN 26 -15.015 7.781 3.847 369 H HIS 27 H HIS 27 -13.093 9.579 0.979 370 H HIS 27 H HIS 27 -12.185 10.406 0.105 371 HA HIS 27 HA HIS 27 -12.217 12.337 1.242 372 HA HIS 27 HA HIS 27 -11.037 12.684 1.311 373 HB2 HIS 27 HB2 HIS 27 -14.851 11.680 0.030 374 HB2 HIS 27 HB2 HIS 27 -12.871 13.906 0.005 375 HB3 HIS 27 HB3 HIS 27 -13.624 12.828 -0.497 376 HB3 HIS 27 HB3 HIS 27 -11.729 12.939 -0.927 377 HD1 HIS 27 HD1 HIS 27 -11.436 11.654 -1.633 378 HD1 HIS 27 HD1 HIS 27 -12.643 10.614 -1.826 379 HD2 HIS 27 HD2 HIS 27 -14.900 9.372 -1.399 380 HD2 HIS 27 HD2 HIS 27 -15.506 13.166 -0.230 381 HE1 HIS 27 HE1 HIS 27 -11.123 9.785 -3.285 382 HE1 HIS 27 HE1 HIS 27 -14.856 9.721 -2.618 383 H ILE 28 H ILE 28 -13.829 10.260 3.183 384 H ILE 28 H ILE 28 -13.607 10.703 2.275 385 HA ILE 28 HA ILE 28 -15.793 12.201 4.150 386 HA ILE 28 HA ILE 28 -15.126 12.715 3.660 387 HB ILE 28 HB ILE 28 -15.330 9.318 4.919 388 HB ILE 28 HB ILE 28 -15.226 9.707 3.906 389 HG12 ILE 28 HG12 ILE 28 -17.472 10.697 3.293 390 HG12 ILE 28 HG12 ILE 28 -16.655 11.689 2.161 391 HG13 ILE 28 HG13 ILE 28 -16.311 9.502 2.725 392 HG13 ILE 28 HG13 ILE 28 -15.887 10.171 1.710 393 HG21 ILE 28 HG21 ILE 28 -16.135 10.611 6.825 394 HG21 ILE 28 HG21 ILE 28 -17.279 11.726 4.787 395 HG22 ILE 28 HG22 ILE 28 -17.469 11.228 5.851 396 HG22 ILE 28 HG22 ILE 28 -17.305 9.984 5.050 397 HG23 ILE 28 HG23 ILE 28 -17.379 9.509 6.237 398 HG23 ILE 28 HG23 ILE 28 -16.102 10.979 5.867 399 HD11 ILE 28 HD11 ILE 28 -18.549 9.021 4.677 400 HD11 ILE 28 HD11 ILE 28 -18.200 9.813 1.537 401 HD12 ILE 28 HD12 ILE 28 -18.495 8.509 2.990 402 HD12 ILE 28 HD12 ILE 28 -17.706 9.018 3.031 403 HD13 ILE 28 HD13 ILE 28 -17.367 7.820 4.158 404 HD13 ILE 28 HD13 ILE 28 -18.517 10.583 3.089 405 H THR 29 H THR 29 -12.958 10.390 5.238 406 H THR 29 H THR 29 -12.749 10.247 4.534 407 HA THR 29 HA THR 29 -12.832 12.145 7.603 408 HA THR 29 HA THR 29 -12.855 10.959 7.339 409 HB THR 29 HB THR 29 -11.474 10.358 8.681 410 HB THR 29 HB THR 29 -11.008 9.301 7.584 411 HG1 THR 29 HG1 THR 29 -11.435 8.312 7.694 412 HG1 THR 29 HG1 THR 29 -10.016 8.579 5.860 413 HG21 THR 29 HG21 THR 29 -13.465 8.680 8.810 414 HG21 THR 29 HG21 THR 29 -13.631 8.626 6.336 415 HG22 THR 29 HG22 THR 29 -14.304 9.883 7.831 416 HG22 THR 29 HG22 THR 29 -13.034 8.281 7.960 417 HG23 THR 29 HG23 THR 29 -13.672 10.322 9.417 418 HG23 THR 29 HG23 THR 29 -12.453 7.339 6.588 419 H ASN 30 H ASN 30 -11.618 12.024 4.678 420 H ASN 30 H ASN 30 -11.049 11.841 4.540 421 HA ASN 30 HA ASN 30 -9.631 12.508 3.649 422 HA ASN 30 HA ASN 30 -9.428 13.401 4.201 423 HB2 ASN 30 HB2 ASN 30 -8.800 14.191 5.954 424 HB2 ASN 30 HB2 ASN 30 -10.853 14.453 6.231 425 HB3 ASN 30 HB3 ASN 30 -8.874 14.586 4.239 426 HB3 ASN 30 HB3 ASN 30 -9.302 14.251 7.043 427 HD21 ASN 30 HD21 ASN 30 -11.358 14.251 3.491 428 HD21 ASN 30 HD21 ASN 30 -7.569 14.727 4.952 429 HD22 ASN 30 HD22 ASN 30 -12.455 15.213 4.415 430 HD22 ASN 30 HD22 ASN 30 -7.712 16.378 4.464 431 H ALA 31 H ALA 31 -9.565 10.181 5.388 432 H ALA 31 H ALA 31 -8.724 10.736 4.841 433 HA ALA 31 HA ALA 31 -6.858 10.262 6.501 434 HA ALA 31 HA ALA 31 -5.970 11.149 5.587 435 HB1 ALA 31 HB1 ALA 31 -7.470 7.992 7.397 436 HB1 ALA 31 HB1 ALA 31 -5.872 10.044 7.569 437 HB2 ALA 31 HB2 ALA 31 -8.436 9.335 8.010 438 HB2 ALA 31 HB2 ALA 31 -7.511 10.685 7.702 439 HB3 ALA 31 HB3 ALA 31 -9.097 8.268 6.771 440 HB3 ALA 31 HB3 ALA 31 -7.255 9.016 7.194 441 H SER 32 H SER 32 -5.264 8.756 5.906 442 H SER 32 H SER 32 -4.611 9.473 4.922 443 HA SER 32 HA SER 32 -5.767 7.227 3.449 444 HA SER 32 HA SER 32 -5.881 7.556 3.096 445 HB2 SER 32 HB2 SER 32 -4.192 8.296 2.226 446 HB2 SER 32 HB2 SER 32 -3.207 7.403 2.542 447 HB3 SER 32 HB3 SER 32 -4.402 9.600 3.395 448 HB3 SER 32 HB3 SER 32 -4.340 8.472 1.713 449 HG SER 32 HG SER 32 -2.356 7.697 3.190 450 HG SER 32 HG SER 32 -2.730 9.780 2.403 451 H GLN 33 H GLN 33 -4.746 5.282 3.325 452 H GLN 33 H GLN 33 -5.020 5.385 2.972 453 HA GLN 33 HA GLN 33 -2.528 4.591 5.001 454 HA GLN 33 HA GLN 33 -3.401 4.421 5.164 455 HB2 GLN 33 HB2 GLN 33 -3.573 2.972 6.401 456 HB2 GLN 33 HB2 GLN 33 -6.133 4.493 5.560 457 HB3 GLN 33 HB3 GLN 33 -4.504 4.456 6.559 458 HB3 GLN 33 HB3 GLN 33 -5.858 2.847 5.005 459 HG2 GLN 33 HG2 GLN 33 -6.209 3.597 5.093 460 HG2 GLN 33 HG2 GLN 33 -4.351 2.409 6.786 461 HG3 GLN 33 HG3 GLN 33 -5.255 2.147 4.782 462 HG3 GLN 33 HG3 GLN 33 -4.314 4.109 7.251 463 HE21 GLN 33 HE21 GLN 33 -7.956 2.678 6.021 464 HE21 GLN 33 HE21 GLN 33 -6.559 1.399 6.859 465 HE22 GLN 33 HE22 GLN 33 -7.918 1.804 7.511 466 HE22 GLN 33 HE22 GLN 33 -7.560 1.805 8.207 467 H PHE 34 H PHE 34 -1.866 2.307 4.692 468 H PHE 34 H PHE 34 -2.364 2.537 4.688 469 HA PHE 34 HA PHE 34 -2.630 1.395 2.001 470 HA PHE 34 HA PHE 34 -2.451 1.663 1.953 471 HB2 PHE 34 HB2 PHE 34 -0.125 0.462 3.334 472 HB2 PHE 34 HB2 PHE 34 -0.832 0.790 4.347 473 HB3 PHE 34 HB3 PHE 34 -0.455 0.714 1.623 474 HB3 PHE 34 HB3 PHE 34 -0.684 0.022 2.769 475 HD1 PHE 34 HD1 PHE 34 1.560 1.808 4.087 476 HD1 PHE 34 HD1 PHE 34 0.489 2.609 4.858 477 HD2 PHE 34 HD2 PHE 34 -1.238 3.384 1.293 478 HD2 PHE 34 HD2 PHE 34 -0.176 1.606 0.775 479 HE1 PHE 34 HE1 PHE 34 2.684 3.993 4.199 480 HE1 PHE 34 HE1 PHE 34 2.102 4.336 4.175 481 HE2 PHE 34 HE2 PHE 34 -0.118 5.572 1.401 482 HE2 PHE 34 HE2 PHE 34 1.438 3.330 0.086 483 HZ PHE 34 HZ PHE 34 1.847 5.879 2.854 484 HZ PHE 34 HZ PHE 34 2.581 4.697 1.786 485 H GLU 35 H GLU 35 -4.345 0.640 3.951 486 H GLU 35 H GLU 35 -3.459 0.381 5.073 487 HA GLU 35 HA GLU 35 -3.905 -2.242 4.042 488 HA GLU 35 HA GLU 35 -4.226 -2.174 3.978 489 HB2 GLU 35 HB2 GLU 35 -4.080 -0.459 6.407 490 HB2 GLU 35 HB2 GLU 35 -4.947 -1.019 6.675 491 HB3 GLU 35 HB3 GLU 35 -4.986 -1.963 6.487 492 HB3 GLU 35 HB3 GLU 35 -4.973 -2.712 6.201 493 HG2 GLU 35 HG2 GLU 35 -2.946 -2.503 7.439 494 HG2 GLU 35 HG2 GLU 35 -3.017 -2.651 7.356 495 HG3 GLU 35 HG3 GLU 35 -2.795 -3.092 5.785 496 HG3 GLU 35 HG3 GLU 35 -2.425 -2.290 5.736 497 H ARG 36 H ARG 36 -5.785 -3.461 4.036 498 H ARG 36 H ARG 36 -6.447 -3.004 4.180 499 HA ARG 36 HA ARG 36 -8.000 -2.481 2.736 500 HA ARG 36 HA ARG 36 -8.330 -1.039 3.160 501 HB2 ARG 36 HB2 ARG 36 -7.344 -4.910 3.170 502 HB2 ARG 36 HB2 ARG 36 -8.039 -3.248 2.049 503 HB3 ARG 36 HB3 ARG 36 -8.157 -4.745 4.719 504 HB3 ARG 36 HB3 ARG 36 -8.669 -4.023 3.496 505 HG2 ARG 36 HG2 ARG 36 -9.798 -5.672 3.399 506 HG2 ARG 36 HG2 ARG 36 -10.667 -2.310 3.019 507 HG3 ARG 36 HG3 ARG 36 -10.172 -3.950 3.299 508 HG3 ARG 36 HG3 ARG 36 -10.075 -2.538 1.372 509 HD2 ARG 36 HD2 ARG 36 -9.953 -4.016 1.091 510 HD2 ARG 36 HD2 ARG 36 -11.274 -4.516 3.255 511 HD3 ARG 36 HD3 ARG 36 -8.292 -4.585 1.260 512 HD3 ARG 36 HD3 ARG 36 -11.628 -4.232 1.552 513 HE ARG 36 HE ARG 36 -10.086 -6.730 1.624 514 HE ARG 36 HE ARG 36 -9.740 -6.064 2.604 515 HH11 ARG 36 HH11 ARG 36 -8.805 -4.647 -0.854 516 HH11 ARG 36 HH11 ARG 36 -10.261 -3.856 -0.036 517 HH12 ARG 36 HH12 ARG 36 -9.002 -5.814 -2.119 518 HH12 ARG 36 HH12 ARG 36 -9.238 -4.722 -1.134 519 HH21 ARG 36 HH21 ARG 36 -10.350 -8.275 -0.035 520 HH21 ARG 36 HH21 ARG 36 -8.391 -7.214 1.169 521 HH22 ARG 36 HH22 ARG 36 -9.882 -7.877 -1.653 522 HH22 ARG 36 HH22 ARG 36 -8.176 -6.633 -0.447 523 HA PRO 37 HA PRO 37 -9.698 0.011 6.074 524 HA PRO 37 HA PRO 37 -9.989 -0.625 7.308 525 HB2 PRO 37 HB2 PRO 37 -11.536 1.257 4.512 526 HB2 PRO 37 HB2 PRO 37 -11.688 1.397 6.680 527 HB3 PRO 37 HB3 PRO 37 -9.834 1.731 4.556 528 HB3 PRO 37 HB3 PRO 37 -9.960 1.646 6.950 529 HG2 PRO 37 HG2 PRO 37 -11.275 0.028 2.560 530 HG2 PRO 37 HG2 PRO 37 -11.455 1.389 4.370 531 HG3 PRO 37 HG3 PRO 37 -10.079 1.307 2.282 532 HG3 PRO 37 HG3 PRO 37 -10.166 2.523 4.807 533 HD2 PRO 37 HD2 PRO 37 -9.444 -1.324 2.208 534 HD2 PRO 37 HD2 PRO 37 -9.714 0.302 3.326 535 HD3 PRO 37 HD3 PRO 37 -8.300 -0.081 2.756 536 HD3 PRO 37 HD3 PRO 37 -8.503 0.969 4.441 537 H SER 38 H SER 38 -11.507 -0.177 7.339 538 H SER 38 H SER 38 -11.860 -1.296 8.300 539 HA SER 38 HA SER 38 -13.526 -2.131 6.447 540 HA SER 38 HA SER 38 -13.594 -2.987 6.809 541 HB2 SER 38 HB2 SER 38 -12.037 -2.863 8.346 542 HB2 SER 38 HB2 SER 38 -14.796 -3.259 8.972 543 HB3 SER 38 HB3 SER 38 -12.734 -1.562 9.310 544 HB3 SER 38 HB3 SER 38 -13.058 -3.516 9.120 545 HG SER 38 HG SER 38 -14.305 -3.548 8.043 546 HG SER 38 HG SER 38 -12.916 -1.827 10.373 547 H GLY 39 H GLY 39 -15.634 -1.886 7.755 548 H GLY 39 H GLY 39 -14.544 -0.276 8.924 549 HA2 GLY 39 HA2 GLY 39 -16.325 0.984 7.762 550 HA2 GLY 39 HA2 GLY 39 -15.795 1.412 7.233 551 HA3 GLY 39 HA3 GLY 39 -17.445 -0.312 7.368 552 HA3 GLY 39 HA3 GLY 39 -16.961 0.105 7.379 Start of MODEL 3 1 H1 SER 5 H SER 5 -9.174 -3.936 -4.452 2 H1 SER 5 H SER 5 -9.448 -4.560 -6.300 3 HA SER 5 HA SER 5 -10.006 -3.527 -6.674 4 HA SER 5 HA SER 5 -11.713 -3.776 -7.044 5 HB2 SER 5 HB2 SER 5 -10.343 -5.263 -8.231 6 HB2 SER 5 HB2 SER 5 -11.488 -6.588 -5.946 7 HB3 SER 5 HB3 SER 5 -8.844 -5.706 -7.414 8 HB3 SER 5 HB3 SER 5 -12.797 -6.038 -6.994 9 HG SER 5 HG SER 5 -10.500 -6.877 -5.954 10 HG SER 5 HG SER 5 -10.051 -6.313 -7.589 11 H LYS 6 H LYS 6 -11.140 -3.589 -4.082 12 H LYS 6 H LYS 6 -12.161 -5.879 -4.214 13 HA LYS 6 HA LYS 6 -13.868 -3.518 -4.680 14 HA LYS 6 HA LYS 6 -14.579 -4.543 -3.478 15 HB2 LYS 6 HB2 LYS 6 -14.563 -5.466 -3.169 16 HB2 LYS 6 HB2 LYS 6 -14.488 -6.052 -1.484 17 HB3 LYS 6 HB3 LYS 6 -13.985 -5.864 -4.783 18 HB3 LYS 6 HB3 LYS 6 -14.404 -6.890 -3.028 19 HG2 LYS 6 HG2 LYS 6 -11.763 -6.361 -3.823 20 HG2 LYS 6 HG2 LYS 6 -11.755 -6.406 -2.362 21 HG3 LYS 6 HG3 LYS 6 -12.427 -6.065 -2.215 22 HG3 LYS 6 HG3 LYS 6 -12.524 -6.860 -0.839 23 HD2 LYS 6 HD2 LYS 6 -13.482 -8.051 -2.156 24 HD2 LYS 6 HD2 LYS 6 -12.251 -8.976 -1.504 25 HD3 LYS 6 HD3 LYS 6 -13.979 -7.945 -3.847 26 HD3 LYS 6 HD3 LYS 6 -13.568 -8.669 -2.638 27 HE2 LYS 6 HE2 LYS 6 -12.128 -9.022 -4.600 28 HE2 LYS 6 HE2 LYS 6 -11.675 -9.634 -3.802 29 HE3 LYS 6 HE3 LYS 6 -11.097 -8.370 -3.326 30 HE3 LYS 6 HE3 LYS 6 -11.925 -7.970 -4.329 31 HZ1 LYS 6 HZ1 LYS 6 -11.714 -10.011 -1.863 32 HZ1 LYS 6 HZ1 LYS 6 -9.759 -7.743 -3.914 33 HZ2 LYS 6 HZ2 LYS 6 -11.718 -10.865 -3.322 34 HZ2 LYS 6 HZ2 LYS 6 -9.676 -9.147 -2.974 35 HZ3 LYS 6 HZ3 LYS 6 -13.176 -10.335 -2.648 36 HZ3 LYS 6 HZ3 LYS 6 -10.191 -7.694 -2.278 37 H LEU 7 H LEU 7 -14.017 -1.681 -3.511 38 H LEU 7 H LEU 7 -14.949 -3.064 -1.900 39 HA LEU 7 HA LEU 7 -13.387 -1.859 -0.637 40 HA LEU 7 HA LEU 7 -13.175 -2.443 0.199 41 HB2 LEU 7 HB2 LEU 7 -13.012 0.330 -2.622 42 HB2 LEU 7 HB2 LEU 7 -12.225 -0.396 -0.485 43 HB3 LEU 7 HB3 LEU 7 -13.359 0.756 -0.947 44 HB3 LEU 7 HB3 LEU 7 -11.899 -1.555 -1.774 45 HG LEU 7 HG LEU 7 -11.348 -0.283 -0.190 46 HG LEU 7 HG LEU 7 -14.308 -0.227 -2.433 47 HD11 LEU 7 HD11 LEU 7 -11.310 -1.460 -2.928 48 HD11 LEU 7 HD11 LEU 7 -13.854 2.048 -2.321 49 HD12 LEU 7 HD12 LEU 7 -11.039 -2.231 -1.366 50 HD12 LEU 7 HD12 LEU 7 -12.140 1.791 -1.994 51 HD13 LEU 7 HD13 LEU 7 -9.791 -1.206 -2.072 52 HD13 LEU 7 HD13 LEU 7 -13.336 1.457 -0.741 53 HD21 LEU 7 HD21 LEU 7 -9.776 0.864 -2.131 54 HD21 LEU 7 HD21 LEU 7 -13.007 0.520 -4.357 55 HD22 LEU 7 HD22 LEU 7 -10.477 1.698 -0.745 56 HD22 LEU 7 HD22 LEU 7 -12.695 -1.179 -3.998 57 HD23 LEU 7 HD23 LEU 7 -11.307 1.725 -2.301 58 HD23 LEU 7 HD23 LEU 7 -11.515 0.050 -3.540 59 HA PRO 8 HA PRO 8 -17.560 -0.932 0.345 60 HA PRO 8 HA PRO 8 -16.777 -0.445 1.713 61 HB2 PRO 8 HB2 PRO 8 -17.287 0.652 2.533 62 HB2 PRO 8 HB2 PRO 8 -15.710 1.402 3.392 63 HB3 PRO 8 HB3 PRO 8 -16.966 -1.085 2.559 64 HB3 PRO 8 HB3 PRO 8 -15.721 -0.329 3.750 65 HG2 PRO 8 HG2 PRO 8 -15.038 1.194 2.335 66 HG2 PRO 8 HG2 PRO 8 -13.509 1.364 2.654 67 HG3 PRO 8 HG3 PRO 8 -14.916 -0.283 3.310 68 HG3 PRO 8 HG3 PRO 8 -13.440 0.100 3.895 69 HD2 PRO 8 HD2 PRO 8 -13.621 0.018 0.951 70 HD2 PRO 8 HD2 PRO 8 -12.699 -0.338 1.329 71 HD3 PRO 8 HD3 PRO 8 -14.214 -1.556 1.519 72 HD3 PRO 8 HD3 PRO 8 -13.425 -1.603 2.341 73 HA PRO 9 HA PRO 9 -18.948 2.948 -1.191 74 HA PRO 9 HA PRO 9 -17.668 3.200 -0.586 75 HB2 PRO 9 HB2 PRO 9 -20.988 3.614 0.472 76 HB2 PRO 9 HB2 PRO 9 -19.553 4.362 0.982 77 HB3 PRO 9 HB3 PRO 9 -21.099 2.301 -0.708 78 HB3 PRO 9 HB3 PRO 9 -19.863 2.908 0.029 79 HG2 PRO 9 HG2 PRO 9 -20.535 2.165 2.231 80 HG2 PRO 9 HG2 PRO 9 -19.217 3.160 2.940 81 HG3 PRO 9 HG3 PRO 9 -21.590 1.136 1.245 82 HG3 PRO 9 HG3 PRO 9 -20.422 2.129 2.147 83 HD2 PRO 9 HD2 PRO 9 -19.102 0.377 1.996 84 HD2 PRO 9 HD2 PRO 9 -18.017 1.194 2.971 85 HD3 PRO 9 HD3 PRO 9 -19.831 -0.130 0.459 86 HD3 PRO 9 HD3 PRO 9 -18.855 0.549 1.544 87 H GLY 10 H GLY 10 -17.630 4.665 -1.044 88 H GLY 10 H GLY 10 -17.164 5.372 -0.739 89 HA2 GLY 10 HA2 GLY 10 -17.613 6.891 0.113 90 HA2 GLY 10 HA2 GLY 10 -16.547 7.498 0.069 91 HA3 GLY 10 HA3 GLY 10 -17.365 5.976 1.592 92 HA3 GLY 10 HA3 GLY 10 -16.292 6.793 1.659 93 H TRP 11 H TRP 11 -15.575 4.074 0.135 94 H TRP 11 H TRP 11 -14.665 4.593 0.576 95 HA TRP 11 HA TRP 11 -13.161 5.704 0.362 96 HA TRP 11 HA TRP 11 -12.156 6.063 0.436 97 HB2 TRP 11 HB2 TRP 11 -13.737 2.766 0.480 98 HB2 TRP 11 HB2 TRP 11 -12.614 3.079 0.619 99 HB3 TRP 11 HB3 TRP 11 -12.104 3.315 0.108 100 HB3 TRP 11 HB3 TRP 11 -11.086 3.923 0.853 101 HD1 TRP 11 HD1 TRP 11 -14.646 3.187 2.955 102 HD1 TRP 11 HD1 TRP 11 -14.521 3.477 2.551 103 HE1 TRP 11 HE1 TRP 11 -13.441 3.734 5.163 104 HE1 TRP 11 HE1 TRP 11 -14.247 3.964 5.063 105 HE3 TRP 11 HE3 TRP 11 -10.107 4.601 1.075 106 HE3 TRP 11 HE3 TRP 11 -9.656 5.051 2.545 107 HZ2 TRP 11 HZ2 TRP 11 -10.904 4.647 5.996 108 HZ2 TRP 11 HZ2 TRP 11 -12.233 4.893 6.811 109 HZ3 TRP 11 HZ3 TRP 11 -8.345 5.298 2.644 110 HZ3 TRP 11 HZ3 TRP 11 -8.631 5.721 4.679 111 HH2 TRP 11 HH2 TRP 11 -8.738 5.321 5.055 112 HH2 TRP 11 HH2 TRP 11 -9.895 5.644 6.766 113 H GLU 12 H GLU 12 -11.468 5.580 -1.214 114 H GLU 12 H GLU 12 -10.693 5.943 -1.239 115 HA GLU 12 HA GLU 12 -12.377 4.784 -3.898 116 HA GLU 12 HA GLU 12 -11.673 4.670 -3.709 117 HB2 GLU 12 HB2 GLU 12 -12.134 7.380 -3.138 118 HB2 GLU 12 HB2 GLU 12 -9.887 7.092 -3.659 119 HB3 GLU 12 HB3 GLU 12 -10.514 7.067 -3.747 120 HB3 GLU 12 HB3 GLU 12 -10.840 6.465 -4.997 121 HG2 GLU 12 HG2 GLU 12 -11.632 6.169 -5.838 122 HG2 GLU 12 HG2 GLU 12 -12.816 6.979 -3.278 123 HG3 GLU 12 HG3 GLU 12 -13.120 6.880 -5.219 124 HG3 GLU 12 HG3 GLU 12 -11.643 8.176 -2.731 125 H LYS 13 H LYS 13 -11.116 3.239 -4.670 126 H LYS 13 H LYS 13 -10.214 3.576 -4.989 127 HA LYS 13 HA LYS 13 -8.482 2.774 -3.581 128 HA LYS 13 HA LYS 13 -7.693 2.882 -3.673 129 HB2 LYS 13 HB2 LYS 13 -10.020 0.907 -4.112 130 HB2 LYS 13 HB2 LYS 13 -9.073 0.993 -4.242 131 HB3 LYS 13 HB3 LYS 13 -9.936 1.341 -5.813 132 HB3 LYS 13 HB3 LYS 13 -9.243 1.554 -5.900 133 HG2 LYS 13 HG2 LYS 13 -7.335 0.905 -4.531 134 HG2 LYS 13 HG2 LYS 13 -6.780 1.248 -6.172 135 HG3 LYS 13 HG3 LYS 13 -8.376 -0.518 -4.612 136 HG3 LYS 13 HG3 LYS 13 -6.758 0.496 -4.574 137 HD2 LYS 13 HD2 LYS 13 -8.711 0.261 -7.098 138 HD2 LYS 13 HD2 LYS 13 -7.621 -1.427 -5.345 139 HD3 LYS 13 HD3 LYS 13 -7.181 1.097 -6.820 140 HD3 LYS 13 HD3 LYS 13 -8.798 -0.595 -6.363 141 HE2 LYS 13 HE2 LYS 13 -5.996 -0.833 -6.709 142 HE2 LYS 13 HE2 LYS 13 -6.440 -0.051 -7.637 143 HE3 LYS 13 HE3 LYS 13 -7.315 -1.726 -5.956 144 HE3 LYS 13 HE3 LYS 13 -6.165 -1.684 -7.029 145 HZ1 LYS 13 HZ1 LYS 13 -7.773 -2.600 -7.920 146 HZ1 LYS 13 HZ1 LYS 13 -7.238 -1.413 -9.315 147 HZ2 LYS 13 HZ2 LYS 13 -6.544 -1.697 -8.654 148 HZ2 LYS 13 HZ2 LYS 13 -8.646 -1.000 -8.474 149 HZ3 LYS 13 HZ3 LYS 13 -8.110 -1.064 -8.545 150 HZ3 LYS 13 HZ3 LYS 13 -7.937 -2.519 -8.244 151 H ARG 14 H ARG 14 -6.770 3.850 -4.292 152 H ARG 14 H ARG 14 -5.874 3.799 -4.330 153 HA ARG 14 HA ARG 14 -6.649 4.564 -7.149 154 HA ARG 14 HA ARG 14 -5.656 4.638 -7.146 155 HB2 ARG 14 HB2 ARG 14 -5.361 6.018 -4.831 156 HB2 ARG 14 HB2 ARG 14 -4.217 6.084 -4.946 157 HB3 ARG 14 HB3 ARG 14 -5.280 6.488 -6.523 158 HB3 ARG 14 HB3 ARG 14 -4.618 6.645 -6.564 159 HG2 ARG 14 HG2 ARG 14 -8.007 6.256 -5.914 160 HG2 ARG 14 HG2 ARG 14 -7.080 6.155 -5.398 161 HG3 ARG 14 HG3 ARG 14 -7.266 7.106 -4.556 162 HG3 ARG 14 HG3 ARG 14 -6.116 6.868 -4.102 163 HD2 ARG 14 HD2 ARG 14 -6.239 8.688 -6.136 164 HD2 ARG 14 HD2 ARG 14 -7.317 8.571 -5.393 165 HD3 ARG 14 HD3 ARG 14 -7.026 7.849 -7.471 166 HD3 ARG 14 HD3 ARG 14 -5.569 8.760 -5.520 167 HE ARG 14 HE ARG 14 -8.822 8.802 -5.425 168 HE ARG 14 HE ARG 14 -6.133 7.291 -7.692 169 HH11 ARG 14 HH11 ARG 14 -7.190 9.533 -8.412 170 HH11 ARG 14 HH11 ARG 14 -7.557 10.199 -6.411 171 HH12 ARG 14 HH12 ARG 14 -8.322 10.756 -8.884 172 HH12 ARG 14 HH12 ARG 14 -8.021 10.811 -7.963 173 HH21 ARG 14 HH21 ARG 14 -10.321 10.411 -6.036 174 HH21 ARG 14 HH21 ARG 14 -6.740 8.087 -9.741 175 HH22 ARG 14 HH22 ARG 14 -10.103 11.255 -7.531 176 HH22 ARG 14 HH22 ARG 14 -7.557 9.608 -9.858 177 H MET 15 H MET 15 -4.351 4.851 -7.940 178 H MET 15 H MET 15 -3.641 4.402 -8.133 179 HA MET 15 HA MET 15 -2.548 2.901 -6.673 180 HA MET 15 HA MET 15 -1.665 2.831 -6.611 181 HB2 MET 15 HB2 MET 15 -3.871 2.344 -8.965 182 HB2 MET 15 HB2 MET 15 -3.159 1.777 -8.593 183 HB3 MET 15 HB3 MET 15 -2.436 3.120 -9.621 184 HB3 MET 15 HB3 MET 15 -1.825 2.421 -9.542 185 HG2 MET 15 HG2 MET 15 -1.600 1.284 -7.632 186 HG2 MET 15 HG2 MET 15 -0.670 0.603 -9.064 187 HG3 MET 15 HG3 MET 15 -2.752 0.465 -8.685 188 HG3 MET 15 HG3 MET 15 -0.647 1.106 -7.374 189 HE1 MET 15 HE1 MET 15 0.195 -1.017 -10.377 190 HE1 MET 15 HE1 MET 15 -3.019 -2.054 -9.488 191 HE2 MET 15 HE2 MET 15 -1.050 -1.159 -9.136 192 HE2 MET 15 HE2 MET 15 -1.739 -0.981 -10.053 193 HE3 MET 15 HE3 MET 15 -1.509 -0.954 -10.827 194 HE3 MET 15 HE3 MET 15 -1.344 -2.362 -9.027 195 H SER 16 H SER 16 -0.352 3.339 -6.804 196 H SER 16 H SER 16 0.106 4.008 -6.341 197 HA SER 16 HA SER 16 0.308 6.062 -7.706 198 HA SER 16 HA SER 16 0.765 6.360 -7.623 199 HB2 SER 16 HB2 SER 16 0.930 4.577 -5.286 200 HB2 SER 16 HB2 SER 16 1.908 4.774 -5.635 201 HB3 SER 16 HB3 SER 16 2.389 5.189 -6.064 202 HB3 SER 16 HB3 SER 16 3.152 4.874 -6.880 203 HG SER 16 HG SER 16 1.858 6.997 -5.139 204 HG SER 16 HG SER 16 2.386 7.275 -6.757 205 H ARG 17 H ARG 17 2.238 6.432 -8.834 206 H ARG 17 H ARG 17 2.735 6.759 -8.995 207 HA ARG 17 HA ARG 17 3.280 4.054 -10.207 208 HA ARG 17 HA ARG 17 2.846 4.763 -11.156 209 HB2 ARG 17 HB2 ARG 17 3.959 5.550 -11.995 210 HB2 ARG 17 HB2 ARG 17 1.809 7.009 -11.678 211 HB3 ARG 17 HB3 ARG 17 2.256 5.792 -11.628 212 HB3 ARG 17 HB3 ARG 17 3.397 7.717 -11.419 213 HG2 ARG 17 HG2 ARG 17 2.569 7.907 -10.919 214 HG2 ARG 17 HG2 ARG 17 4.136 5.924 -13.185 215 HG3 ARG 17 HG3 ARG 17 4.136 7.544 -10.194 216 HG3 ARG 17 HG3 ARG 17 2.430 5.980 -13.630 217 HD2 ARG 17 HD2 ARG 17 3.570 7.901 -13.135 218 HD2 ARG 17 HD2 ARG 17 3.754 7.539 -14.969 219 HD3 ARG 17 HD3 ARG 17 4.381 9.062 -12.084 220 HD3 ARG 17 HD3 ARG 17 2.583 8.389 -13.962 221 HE ARG 17 HE ARG 17 5.658 6.494 -12.135 222 HE ARG 17 HE ARG 17 4.317 9.357 -12.809 223 HH11 ARG 17 HH11 ARG 17 5.374 9.566 -13.749 224 HH11 ARG 17 HH11 ARG 17 5.532 6.752 -14.770 225 HH12 ARG 17 HH12 ARG 17 6.939 9.470 -14.484 226 HH12 ARG 17 HH12 ARG 17 7.196 7.151 -14.499 227 HH21 ARG 17 HH21 ARG 17 7.722 6.358 -13.099 228 HH21 ARG 17 HH21 ARG 17 6.504 9.893 -12.443 229 HH22 ARG 17 HH22 ARG 17 8.273 7.646 -14.116 230 HH22 ARG 17 HH22 ARG 17 7.748 8.935 -13.173 231 H ASN 18 H ASN 18 5.639 4.757 -11.148 232 H ASN 18 H ASN 18 4.518 4.398 -9.008 233 HA ASN 18 HA ASN 18 7.847 4.756 -10.572 234 HA ASN 18 HA ASN 18 7.113 4.745 -10.275 235 HB2 ASN 18 HB2 ASN 18 7.257 7.204 -10.545 236 HB2 ASN 18 HB2 ASN 18 6.257 6.222 -7.906 237 HB3 ASN 18 HB3 ASN 18 7.063 7.076 -8.799 238 HB3 ASN 18 HB3 ASN 18 7.729 5.294 -7.632 239 HD21 ASN 18 HD21 ASN 18 8.761 8.831 -9.144 240 HD21 ASN 18 HD21 ASN 18 6.901 8.244 -8.156 241 HD22 ASN 18 HD22 ASN 18 10.407 8.310 -9.090 242 HD22 ASN 18 HD22 ASN 18 8.114 8.785 -9.261 243 H SER 19 H SER 19 6.091 3.092 -8.959 244 H SER 19 H SER 19 5.269 3.441 -7.554 245 HA SER 19 HA SER 19 7.903 2.259 -6.990 246 HA SER 19 HA SER 19 6.812 0.959 -7.783 247 HB2 SER 19 HB2 SER 19 6.664 2.851 -4.942 248 HB2 SER 19 HB2 SER 19 6.901 2.784 -5.556 249 HB3 SER 19 HB3 SER 19 7.214 4.289 -5.800 250 HB3 SER 19 HB3 SER 19 6.203 1.247 -5.042 251 HG SER 19 HG SER 19 5.207 4.831 -6.187 252 HG SER 19 HG SER 19 8.034 0.197 -5.770 253 H GLY 20 H GLY 20 4.571 2.389 -8.097 254 H GLY 20 H GLY 20 4.032 2.032 -8.444 255 HA2 GLY 20 HA2 GLY 20 3.048 0.702 -8.457 256 HA2 GLY 20 HA2 GLY 20 1.844 1.323 -8.337 257 HA3 GLY 20 HA3 GLY 20 4.365 -0.439 -8.223 258 HA3 GLY 20 HA3 GLY 20 2.567 -0.274 -8.212 259 H ARG 21 H ARG 21 2.970 1.948 -5.992 260 H ARG 21 H ARG 21 3.011 2.213 -5.790 261 HA ARG 21 HA ARG 21 2.377 -0.276 -4.154 262 HA ARG 21 HA ARG 21 2.181 0.509 -3.691 263 HB2 ARG 21 HB2 ARG 21 3.712 2.292 -3.768 264 HB2 ARG 21 HB2 ARG 21 3.259 3.197 -3.968 265 HB3 ARG 21 HB3 ARG 21 2.418 2.014 -2.609 266 HB3 ARG 21 HB3 ARG 21 2.057 3.100 -2.688 267 HG2 ARG 21 HG2 ARG 21 3.548 0.397 -1.537 268 HG2 ARG 21 HG2 ARG 21 3.480 2.076 -1.333 269 HG3 ARG 21 HG3 ARG 21 4.228 -0.260 -3.027 270 HG3 ARG 21 HG3 ARG 21 3.874 0.869 -2.558 271 HD2 ARG 21 HD2 ARG 21 6.029 0.616 -1.729 272 HD2 ARG 21 HD2 ARG 21 5.847 2.143 -1.838 273 HD3 ARG 21 HD3 ARG 21 5.771 1.701 -3.096 274 HD3 ARG 21 HD3 ARG 21 5.499 2.363 -3.553 275 HE ARG 21 HE ARG 21 5.121 2.250 -0.291 276 HE ARG 21 HE ARG 21 5.056 4.350 -1.434 277 HH11 ARG 21 HH11 ARG 21 5.327 3.308 -3.602 278 HH11 ARG 21 HH11 ARG 21 5.248 3.495 -4.805 279 HH12 ARG 21 HH12 ARG 21 5.164 4.987 -3.211 280 HH12 ARG 21 HH12 ARG 21 5.233 5.138 -5.355 281 HH21 ARG 21 HH21 ARG 21 4.906 4.459 0.235 282 HH21 ARG 21 HH21 ARG 21 5.037 6.516 -2.149 283 HH22 ARG 21 HH22 ARG 21 4.925 5.641 -1.029 284 HH22 ARG 21 HH22 ARG 21 5.116 6.855 -3.844 285 H VAL 22 H VAL 22 0.384 -0.414 -3.230 286 H VAL 22 H VAL 22 0.093 -0.200 -3.967 287 HA VAL 22 HA VAL 22 -1.704 1.228 -4.409 288 HA VAL 22 HA VAL 22 -2.076 1.601 -4.500 289 HB VAL 22 HB VAL 22 -1.910 -1.152 -2.557 290 HB VAL 22 HB VAL 22 -1.888 -0.953 -5.030 291 HG11 VAL 22 HG11 VAL 22 -3.853 0.310 -2.381 292 HG11 VAL 22 HG11 VAL 22 -2.577 -2.468 -3.442 293 HG12 VAL 22 HG12 VAL 22 -4.045 0.281 -4.135 294 HG12 VAL 22 HG12 VAL 22 -1.654 -1.335 -2.454 295 HG13 VAL 22 HG13 VAL 22 -4.272 -1.196 -3.197 296 HG13 VAL 22 HG13 VAL 22 -3.416 -1.248 -2.485 297 HG21 VAL 22 HG21 VAL 22 -2.704 -1.214 -5.425 298 HG21 VAL 22 HG21 VAL 22 -4.454 0.260 -4.006 299 HG22 VAL 22 HG22 VAL 22 -0.991 -1.319 -5.023 300 HG22 VAL 22 HG22 VAL 22 -3.782 0.484 -5.621 301 HG23 VAL 22 HG23 VAL 22 -2.119 -2.516 -4.387 302 HG23 VAL 22 HG23 VAL 22 -4.321 -1.113 -5.105 303 H TYR 23 H TYR 23 -2.980 2.657 -3.337 304 H TYR 23 H TYR 23 -3.637 2.352 -3.107 305 HA TYR 23 HA TYR 23 -2.760 2.899 -0.439 306 HA TYR 23 HA TYR 23 -3.628 1.601 -0.319 307 HB2 TYR 23 HB2 TYR 23 -2.169 5.224 -0.472 308 HB2 TYR 23 HB2 TYR 23 -3.225 3.878 0.519 309 HB3 TYR 23 HB3 TYR 23 -0.994 4.363 -1.461 310 HB3 TYR 23 HB3 TYR 23 -1.830 3.259 -0.356 311 HD1 TYR 23 HD1 TYR 23 -3.667 6.833 -1.439 312 HD1 TYR 23 HD1 TYR 23 -4.531 5.723 -0.351 313 HD2 TYR 23 HD2 TYR 23 -1.029 4.590 -3.913 314 HD2 TYR 23 HD2 TYR 23 -1.201 4.197 -2.518 315 HE1 TYR 23 HE1 TYR 23 -4.140 8.354 -3.314 316 HE1 TYR 23 HE1 TYR 23 -4.554 7.724 -1.782 317 HE2 TYR 23 HE2 TYR 23 -1.495 6.106 -5.792 318 HE2 TYR 23 HE2 TYR 23 -1.214 6.195 -3.954 319 HH TYR 23 HH TYR 23 -3.161 7.664 -6.532 320 HH TYR 23 HH TYR 23 -2.408 8.016 -4.564 321 H TYR 24 H TYR 24 -4.647 3.429 0.482 322 H TYR 24 H TYR 24 -5.221 3.193 0.887 323 HA TYR 24 HA TYR 24 -6.876 4.112 -1.295 324 HA TYR 24 HA TYR 24 -7.504 3.704 -0.904 325 HB2 TYR 24 HB2 TYR 24 -7.069 3.221 1.581 326 HB2 TYR 24 HB2 TYR 24 -7.535 2.502 1.869 327 HB3 TYR 24 HB3 TYR 24 -8.339 3.219 0.360 328 HB3 TYR 24 HB3 TYR 24 -8.976 3.029 1.007 329 HD1 TYR 24 HD1 TYR 24 -7.555 1.811 -1.853 330 HD1 TYR 24 HD1 TYR 24 -9.840 1.761 -0.870 331 HD2 TYR 24 HD2 TYR 24 -6.251 1.149 2.142 332 HD2 TYR 24 HD2 TYR 24 -6.323 0.507 1.171 333 HE1 TYR 24 HE1 TYR 24 -7.004 -0.517 -2.425 334 HE1 TYR 24 HE1 TYR 24 -10.000 -0.439 -1.957 335 HE2 TYR 24 HE2 TYR 24 -5.696 -1.181 1.582 336 HE2 TYR 24 HE2 TYR 24 -6.474 -1.697 0.088 337 HH TYR 24 HH TYR 24 -6.411 -2.520 -1.613 338 HH TYR 24 HH TYR 24 -9.062 -2.431 -2.232 339 H PHE 25 H PHE 25 -8.315 5.793 -0.803 340 H PHE 25 H PHE 25 -8.199 5.730 -0.873 341 HA PHE 25 HA PHE 25 -7.518 7.652 1.317 342 HA PHE 25 HA PHE 25 -7.665 7.364 1.521 343 HB2 PHE 25 HB2 PHE 25 -6.733 8.137 -1.235 344 HB2 PHE 25 HB2 PHE 25 -6.205 8.082 -0.286 345 HB3 PHE 25 HB3 PHE 25 -8.304 8.929 -1.230 346 HB3 PHE 25 HB3 PHE 25 -7.577 8.212 -1.381 347 HD1 PHE 25 HD1 PHE 25 -8.697 10.907 0.067 348 HD1 PHE 25 HD1 PHE 25 -9.009 10.112 -1.355 349 HD2 PHE 25 HD2 PHE 25 -4.937 8.917 0.214 350 HD2 PHE 25 HD2 PHE 25 -5.920 9.697 1.544 351 HE1 PHE 25 HE1 PHE 25 -7.705 12.869 1.175 352 HE1 PHE 25 HE1 PHE 25 -9.318 12.461 -0.695 353 HE2 PHE 25 HE2 PHE 25 -3.940 10.875 1.323 354 HE2 PHE 25 HE2 PHE 25 -6.224 12.046 2.209 355 HZ PHE 25 HZ PHE 25 -5.325 12.854 1.805 356 HZ PHE 25 HZ PHE 25 -7.926 13.432 1.091 357 H ASN 26 H ASN 26 -9.221 8.206 2.493 358 H ASN 26 H ASN 26 -9.361 8.372 2.403 359 HA ASN 26 HA ASN 26 -11.896 7.658 1.487 360 HA ASN 26 HA ASN 26 -11.868 8.465 0.856 361 HB2 ASN 26 HB2 ASN 26 -11.081 6.972 3.800 362 HB2 ASN 26 HB2 ASN 26 -11.958 6.788 2.664 363 HB3 ASN 26 HB3 ASN 26 -11.169 8.678 4.231 364 HB3 ASN 26 HB3 ASN 26 -11.565 8.041 3.837 365 HD21 ASN 26 HD21 ASN 26 -13.265 6.550 2.319 366 HD21 ASN 26 HD21 ASN 26 -13.704 6.867 4.522 367 HD22 ASN 26 HD22 ASN 26 -14.699 6.863 3.229 368 HD22 ASN 26 HD22 ASN 26 -15.147 7.712 4.085 369 H HIS 27 H HIS 27 -13.158 9.170 0.641 370 H HIS 27 H HIS 27 -12.718 10.420 0.576 371 HA HIS 27 HA HIS 27 -12.350 11.942 0.695 372 HA HIS 27 HA HIS 27 -11.460 12.741 1.643 373 HB2 HIS 27 HB2 HIS 27 -13.917 12.298 -1.003 374 HB2 HIS 27 HB2 HIS 27 -13.403 13.932 0.528 375 HB3 HIS 27 HB3 HIS 27 -13.385 10.643 -1.290 376 HB3 HIS 27 HB3 HIS 27 -12.399 12.941 -0.528 377 HD1 HIS 27 HD1 HIS 27 -16.281 12.534 0.251 378 HD1 HIS 27 HD1 HIS 27 -15.488 12.198 1.585 379 HD2 HIS 27 HD2 HIS 27 -15.384 8.781 -1.291 380 HD2 HIS 27 HD2 HIS 27 -14.004 11.642 -2.254 381 HE1 HIS 27 HE1 HIS 27 -18.471 11.301 0.165 382 HE1 HIS 27 HE1 HIS 27 -17.273 10.926 0.353 383 H ILE 28 H ILE 28 -14.094 10.012 2.746 384 H ILE 28 H ILE 28 -13.862 10.663 2.820 385 HA ILE 28 HA ILE 28 -15.988 12.090 3.543 386 HA ILE 28 HA ILE 28 -15.269 12.621 4.402 387 HB ILE 28 HB ILE 28 -15.646 9.273 4.578 388 HB ILE 28 HB ILE 28 -15.339 9.604 4.493 389 HG12 ILE 28 HG12 ILE 28 -17.493 10.529 2.562 390 HG12 ILE 28 HG12 ILE 28 -17.109 11.677 3.197 391 HG13 ILE 28 HG13 ILE 28 -16.500 9.086 2.391 392 HG13 ILE 28 HG13 ILE 28 -16.230 10.368 2.415 393 HG21 ILE 28 HG21 ILE 28 -17.681 9.603 5.802 394 HG21 ILE 28 HG21 ILE 28 -17.180 11.587 5.824 395 HG22 ILE 28 HG22 ILE 28 -16.556 10.889 6.232 396 HG22 ILE 28 HG22 ILE 28 -17.319 9.830 5.871 397 HG23 ILE 28 HG23 ILE 28 -17.884 11.216 5.118 398 HG23 ILE 28 HG23 ILE 28 -15.950 10.628 6.645 399 HD11 ILE 28 HD11 ILE 28 -18.785 8.429 2.556 400 HD11 ILE 28 HD11 ILE 28 -17.700 8.788 3.738 401 HD12 ILE 28 HD12 ILE 28 -17.969 7.963 4.048 402 HD12 ILE 28 HD12 ILE 28 -18.686 10.199 4.122 403 HD13 ILE 28 HD13 ILE 28 -19.008 9.387 4.020 404 HD13 ILE 28 HD13 ILE 28 -18.474 9.701 2.444 405 H THR 29 H THR 29 -13.288 10.216 4.865 406 H THR 29 H THR 29 -12.776 10.179 4.932 407 HA THR 29 HA THR 29 -13.187 12.067 7.152 408 HA THR 29 HA THR 29 -12.618 10.804 7.765 409 HB THR 29 HB THR 29 -11.870 10.382 8.323 410 HB THR 29 HB THR 29 -10.843 9.096 7.840 411 HG1 THR 29 HG1 THR 29 -12.283 8.704 6.058 412 HG1 THR 29 HG1 THR 29 -10.034 8.238 6.039 413 HG21 THR 29 HG21 THR 29 -13.629 8.480 8.241 414 HG21 THR 29 HG21 THR 29 -12.268 7.154 7.065 415 HG22 THR 29 HG22 THR 29 -14.492 9.546 7.134 416 HG22 THR 29 HG22 THR 29 -13.416 8.348 6.462 417 HG23 THR 29 HG23 THR 29 -14.132 10.082 8.776 418 HG23 THR 29 HG23 THR 29 -13.044 8.272 8.184 419 H ASN 30 H ASN 30 -11.883 11.783 4.206 420 H ASN 30 H ASN 30 -11.014 11.622 4.805 421 HA ASN 30 HA ASN 30 -9.913 12.352 3.201 422 HA ASN 30 HA ASN 30 -9.386 13.134 4.320 423 HB2 ASN 30 HB2 ASN 30 -9.268 14.228 5.420 424 HB2 ASN 30 HB2 ASN 30 -10.655 14.209 6.502 425 HB3 ASN 30 HB3 ASN 30 -9.277 14.503 3.681 426 HB3 ASN 30 HB3 ASN 30 -8.985 14.134 7.056 427 HD21 ASN 30 HD21 ASN 30 -11.711 13.947 2.860 428 HD21 ASN 30 HD21 ASN 30 -7.639 14.576 4.695 429 HD22 ASN 30 HD22 ASN 30 -12.900 14.916 3.654 430 HD22 ASN 30 HD22 ASN 30 -7.958 16.185 4.151 431 H ALA 31 H ALA 31 -9.795 10.192 5.206 432 H ALA 31 H ALA 31 -8.686 10.482 5.008 433 HA ALA 31 HA ALA 31 -7.112 10.499 6.325 434 HA ALA 31 HA ALA 31 -5.889 10.882 5.610 435 HB1 ALA 31 HB1 ALA 31 -7.579 8.406 7.508 436 HB1 ALA 31 HB1 ALA 31 -5.717 9.812 7.604 437 HB2 ALA 31 HB2 ALA 31 -8.834 9.612 7.796 438 HB2 ALA 31 HB2 ALA 31 -7.352 10.450 7.793 439 HB3 ALA 31 HB3 ALA 31 -9.129 8.284 6.674 440 HB3 ALA 31 HB3 ALA 31 -7.110 8.775 7.295 441 H SER 32 H SER 32 -5.460 8.934 5.953 442 H SER 32 H SER 32 -4.578 9.220 4.861 443 HA SER 32 HA SER 32 -5.793 7.373 3.478 444 HA SER 32 HA SER 32 -5.930 7.317 3.092 445 HB2 SER 32 HB2 SER 32 -4.358 8.844 2.536 446 HB2 SER 32 HB2 SER 32 -3.334 7.030 2.439 447 HB3 SER 32 HB3 SER 32 -3.854 9.491 4.097 448 HB3 SER 32 HB3 SER 32 -4.363 8.280 1.739 449 HG SER 32 HG SER 32 -2.305 8.184 2.694 450 HG SER 32 HG SER 32 -3.530 9.750 3.200 451 H GLN 33 H GLN 33 -5.241 5.300 3.645 452 H GLN 33 H GLN 33 -4.857 5.148 2.860 453 HA GLN 33 HA GLN 33 -3.437 4.491 5.824 454 HA GLN 33 HA GLN 33 -3.325 4.097 5.016 455 HB2 GLN 33 HB2 GLN 33 -6.191 3.912 5.645 456 HB2 GLN 33 HB2 GLN 33 -5.433 4.269 6.213 457 HB3 GLN 33 HB3 GLN 33 -5.349 2.421 5.247 458 HB3 GLN 33 HB3 GLN 33 -6.267 3.409 4.925 459 HG2 GLN 33 HG2 GLN 33 -4.647 2.109 7.345 460 HG2 GLN 33 HG2 GLN 33 -5.180 1.380 5.446 461 HG3 GLN 33 HG3 GLN 33 -4.276 3.816 7.580 462 HG3 GLN 33 HG3 GLN 33 -4.025 2.188 6.505 463 HE21 GLN 33 HE21 GLN 33 -7.314 2.217 6.736 464 HE21 GLN 33 HE21 GLN 33 -7.014 0.619 6.284 465 HE22 GLN 33 HE22 GLN 33 -8.199 2.787 8.106 466 HE22 GLN 33 HE22 GLN 33 -7.547 0.878 7.907 467 H PHE 34 H PHE 34 -2.925 1.998 5.452 468 H PHE 34 H PHE 34 -2.255 2.361 4.311 469 HA PHE 34 HA PHE 34 -2.354 1.590 2.596 470 HA PHE 34 HA PHE 34 -2.666 1.397 1.668 471 HB2 PHE 34 HB2 PHE 34 -0.456 2.099 4.660 472 HB2 PHE 34 HB2 PHE 34 -0.917 0.296 3.879 473 HB3 PHE 34 HB3 PHE 34 -0.261 0.427 4.142 474 HB3 PHE 34 HB3 PHE 34 -0.828 -0.165 2.183 475 HD1 PHE 34 HD1 PHE 34 0.166 -0.060 1.727 476 HD1 PHE 34 HD1 PHE 34 -0.554 1.909 0.534 477 HD2 PHE 34 HD2 PHE 34 0.279 3.885 3.322 478 HD2 PHE 34 HD2 PHE 34 0.579 1.853 4.636 479 HE1 PHE 34 HE1 PHE 34 1.434 0.696 -0.242 480 HE1 PHE 34 HE1 PHE 34 1.032 3.745 0.118 481 HE2 PHE 34 HE2 PHE 34 1.546 4.647 1.355 482 HE2 PHE 34 HE2 PHE 34 2.165 3.689 4.229 483 HZ PHE 34 HZ PHE 34 2.124 3.052 -0.431 484 HZ PHE 34 HZ PHE 34 2.392 4.638 1.967 485 H GLU 35 H GLU 35 -4.432 0.495 4.346 486 H GLU 35 H GLU 35 -3.456 0.184 4.872 487 HA GLU 35 HA GLU 35 -3.926 -2.318 3.799 488 HA GLU 35 HA GLU 35 -4.352 -2.373 3.904 489 HB2 GLU 35 HB2 GLU 35 -5.153 -1.898 6.439 490 HB2 GLU 35 HB2 GLU 35 -4.764 -1.057 6.595 491 HB3 GLU 35 HB3 GLU 35 -3.964 -3.087 5.923 492 HB3 GLU 35 HB3 GLU 35 -5.104 -2.740 6.215 493 HG2 GLU 35 HG2 GLU 35 -2.204 -1.406 6.083 494 HG2 GLU 35 HG2 GLU 35 -3.051 -2.825 7.280 495 HG3 GLU 35 HG3 GLU 35 -3.393 -0.207 6.589 496 HG3 GLU 35 HG3 GLU 35 -2.629 -2.891 5.571 497 H ARG 36 H ARG 36 -5.878 -3.626 3.881 498 H ARG 36 H ARG 36 -6.531 -3.148 4.019 499 HA ARG 36 HA ARG 36 -8.025 -2.533 2.543 500 HA ARG 36 HA ARG 36 -8.438 -1.152 3.150 501 HB2 ARG 36 HB2 ARG 36 -7.498 -4.976 2.807 502 HB2 ARG 36 HB2 ARG 36 -8.183 -3.398 2.050 503 HB3 ARG 36 HB3 ARG 36 -8.196 -4.895 4.419 504 HB3 ARG 36 HB3 ARG 36 -8.865 -4.122 3.501 505 HG2 ARG 36 HG2 ARG 36 -9.944 -5.706 3.154 506 HG2 ARG 36 HG2 ARG 36 -10.814 -2.422 3.041 507 HG3 ARG 36 HG3 ARG 36 -10.288 -3.977 3.209 508 HG3 ARG 36 HG3 ARG 36 -10.178 -2.483 1.396 509 HD2 ARG 36 HD2 ARG 36 -9.728 -3.657 1.006 510 HD2 ARG 36 HD2 ARG 36 -10.866 -4.609 1.067 511 HD3 ARG 36 HD3 ARG 36 -8.625 -5.031 0.977 512 HD3 ARG 36 HD3 ARG 36 -10.523 -5.088 2.730 513 HE ARG 36 HE ARG 36 -10.357 -6.313 0.250 514 HE ARG 36 HE ARG 36 -12.713 -3.407 2.843 515 HH11 ARG 36 HH11 ARG 36 -11.661 -3.532 1.889 516 HH11 ARG 36 HH11 ARG 36 -11.909 -6.461 1.377 517 HH12 ARG 36 HH12 ARG 36 -13.308 -3.929 1.525 518 HH12 ARG 36 HH12 ARG 36 -13.530 -7.066 1.437 519 HH21 ARG 36 HH21 ARG 36 -12.523 -6.847 -0.233 520 HH21 ARG 36 HH21 ARG 36 -14.852 -4.192 2.927 521 HH22 ARG 36 HH22 ARG 36 -13.797 -5.814 0.321 522 HH22 ARG 36 HH22 ARG 36 -15.204 -5.774 2.317 523 HA PRO 37 HA PRO 37 -9.764 -0.131 5.922 524 HA PRO 37 HA PRO 37 -9.951 -0.734 7.348 525 HB2 PRO 37 HB2 PRO 37 -11.541 1.203 4.361 526 HB2 PRO 37 HB2 PRO 37 -11.692 1.270 6.780 527 HB3 PRO 37 HB3 PRO 37 -9.832 1.641 4.461 528 HB3 PRO 37 HB3 PRO 37 -9.955 1.533 6.977 529 HG2 PRO 37 HG2 PRO 37 -11.256 0.037 2.374 530 HG2 PRO 37 HG2 PRO 37 -11.552 1.248 4.462 531 HG3 PRO 37 HG3 PRO 37 -10.030 1.300 2.171 532 HG3 PRO 37 HG3 PRO 37 -10.255 2.397 4.838 533 HD2 PRO 37 HD2 PRO 37 -9.441 -1.339 2.019 534 HD2 PRO 37 HD2 PRO 37 -9.845 0.168 3.352 535 HD3 PRO 37 HD3 PRO 37 -8.288 -0.139 2.636 536 HD3 PRO 37 HD3 PRO 37 -8.597 0.852 4.413 537 H SER 38 H SER 38 -11.555 -0.408 7.170 538 H SER 38 H SER 38 -11.787 -1.389 8.423 539 HA SER 38 HA SER 38 -13.643 -2.206 6.125 540 HA SER 38 HA SER 38 -13.560 -3.116 7.019 541 HB2 SER 38 HB2 SER 38 -12.180 -3.188 7.915 542 HB2 SER 38 HB2 SER 38 -14.678 -3.370 9.229 543 HB3 SER 38 HB3 SER 38 -12.784 -1.947 9.015 544 HB3 SER 38 HB3 SER 38 -12.933 -3.612 9.315 545 HG SER 38 HG SER 38 -14.535 -3.071 9.261 546 HG SER 38 HG SER 38 -12.770 -1.919 10.558 547 H GLY 39 H GLY 39 -15.717 -2.018 7.527 548 H GLY 39 H GLY 39 -14.451 -0.387 9.136 549 HA2 GLY 39 HA2 GLY 39 -16.218 0.814 8.183 550 HA2 GLY 39 HA2 GLY 39 -15.700 1.437 7.830 551 HA3 GLY 39 HA3 GLY 39 -17.299 -0.052 7.103 552 HA3 GLY 39 HA3 GLY 39 -16.745 0.107 7.353 Start of MODEL 4 1 H1 SER 5 H SER 5 -13.142 -4.917 -8.230 2 H1 SER 5 H SER 5 -11.208 -4.428 -7.855 3 HA SER 5 HA SER 5 -11.665 -3.108 -6.668 4 HA SER 5 HA SER 5 -11.092 -2.597 -6.318 5 HB2 SER 5 HB2 SER 5 -13.155 -2.452 -8.549 6 HB2 SER 5 HB2 SER 5 -11.999 -0.935 -7.829 7 HB3 SER 5 HB3 SER 5 -14.549 -2.850 -7.547 8 HB3 SER 5 HB3 SER 5 -13.589 -1.696 -7.774 9 HG SER 5 HG SER 5 -12.760 -0.715 -7.349 10 HG SER 5 HG SER 5 -13.977 -0.742 -5.934 11 H LYS 6 H LYS 6 -12.155 -5.303 -5.044 12 H LYS 6 H LYS 6 -11.809 -2.848 -4.261 13 HA LYS 6 HA LYS 6 -14.340 -4.933 -3.279 14 HA LYS 6 HA LYS 6 -14.399 -4.045 -3.735 15 HB2 LYS 6 HB2 LYS 6 -11.722 -6.295 -2.643 16 HB2 LYS 6 HB2 LYS 6 -11.849 -5.400 -2.841 17 HB3 LYS 6 HB3 LYS 6 -13.282 -6.573 -1.879 18 HB3 LYS 6 HB3 LYS 6 -13.484 -5.893 -2.417 19 HG2 LYS 6 HG2 LYS 6 -14.145 -7.510 -3.954 20 HG2 LYS 6 HG2 LYS 6 -13.953 -6.386 -4.757 21 HG3 LYS 6 HG3 LYS 6 -12.597 -7.203 -4.744 22 HG3 LYS 6 HG3 LYS 6 -12.321 -5.873 -5.196 23 HD2 LYS 6 HD2 LYS 6 -11.505 -8.851 -3.521 24 HD2 LYS 6 HD2 LYS 6 -11.576 -7.925 -4.783 25 HD3 LYS 6 HD3 LYS 6 -12.724 -8.849 -2.246 26 HD3 LYS 6 HD3 LYS 6 -12.092 -7.769 -3.102 27 HE2 LYS 6 HE2 LYS 6 -14.321 -9.902 -3.739 28 HE2 LYS 6 HE2 LYS 6 -13.424 -9.511 -3.588 29 HE3 LYS 6 HE3 LYS 6 -13.163 -9.831 -5.065 30 HE3 LYS 6 HE3 LYS 6 -14.455 -8.289 -4.330 31 HZ1 LYS 6 HZ1 LYS 6 -13.162 -11.567 -2.691 32 HZ1 LYS 6 HZ1 LYS 6 -13.807 -8.884 -6.429 33 HZ2 LYS 6 HZ2 LYS 6 -11.692 -11.180 -3.434 34 HZ2 LYS 6 HZ2 LYS 6 -13.749 -10.389 -5.661 35 HZ3 LYS 6 HZ3 LYS 6 -12.900 -11.970 -4.314 36 HZ3 LYS 6 HZ3 LYS 6 -12.322 -9.522 -5.930 37 H LEU 7 H LEU 7 -14.609 -3.166 -2.085 38 H LEU 7 H LEU 7 -14.154 -1.639 -3.008 39 HA LEU 7 HA LEU 7 -12.792 -2.433 -0.059 40 HA LEU 7 HA LEU 7 -13.279 -1.645 -0.194 41 HB2 LEU 7 HB2 LEU 7 -11.970 -0.348 -0.806 42 HB2 LEU 7 HB2 LEU 7 -13.033 0.416 -2.333 43 HB3 LEU 7 HB3 LEU 7 -11.621 -1.518 -2.078 44 HB3 LEU 7 HB3 LEU 7 -13.233 0.944 -0.662 45 HG LEU 7 HG LEU 7 -14.114 -0.324 -2.691 46 HG LEU 7 HG LEU 7 -11.177 -0.049 -0.012 47 HD11 LEU 7 HD11 LEU 7 -13.188 1.446 -1.076 48 HD11 LEU 7 HD11 LEU 7 -11.405 -1.486 -2.615 49 HD12 LEU 7 HD12 LEU 7 -13.755 1.973 -2.660 50 HD12 LEU 7 HD12 LEU 7 -11.019 -2.111 -1.012 51 HD13 LEU 7 HD13 LEU 7 -12.028 1.800 -2.358 52 HD13 LEU 7 HD13 LEU 7 -9.811 -1.197 -1.916 53 HD21 LEU 7 HD21 LEU 7 -11.373 0.062 -3.894 54 HD21 LEU 7 HD21 LEU 7 -11.227 1.659 -2.411 55 HD22 LEU 7 HD22 LEU 7 -12.910 0.432 -4.675 56 HD22 LEU 7 HD22 LEU 7 -9.690 0.870 -2.063 57 HD23 LEU 7 HD23 LEU 7 -12.500 -1.238 -4.284 58 HD23 LEU 7 HD23 LEU 7 -10.443 1.908 -0.852 59 HA PRO 8 HA PRO 8 -16.434 -0.588 1.551 60 HA PRO 8 HA PRO 8 -17.339 -0.553 1.058 61 HB2 PRO 8 HB2 PRO 8 -15.396 1.313 3.187 62 HB2 PRO 8 HB2 PRO 8 -16.870 1.206 3.072 63 HB3 PRO 8 HB3 PRO 8 -15.323 -0.414 3.555 64 HB3 PRO 8 HB3 PRO 8 -16.560 -0.528 3.221 65 HG2 PRO 8 HG2 PRO 8 -13.219 1.365 2.382 66 HG2 PRO 8 HG2 PRO 8 -14.642 1.696 2.641 67 HG3 PRO 8 HG3 PRO 8 -13.058 0.112 3.629 68 HG3 PRO 8 HG3 PRO 8 -14.449 0.305 3.725 69 HD2 PRO 8 HD2 PRO 8 -12.376 -0.311 1.042 70 HD2 PRO 8 HD2 PRO 8 -13.355 0.388 1.250 71 HD3 PRO 8 HD3 PRO 8 -13.018 -1.597 2.083 72 HD3 PRO 8 HD3 PRO 8 -13.909 -1.123 1.999 73 HA PRO 9 HA PRO 9 -17.534 2.987 -0.769 74 HA PRO 9 HA PRO 9 -18.827 3.204 -0.674 75 HB2 PRO 9 HB2 PRO 9 -19.477 4.042 0.810 76 HB2 PRO 9 HB2 PRO 9 -20.695 4.052 1.105 77 HB3 PRO 9 HB3 PRO 9 -19.707 2.569 -0.144 78 HB3 PRO 9 HB3 PRO 9 -20.930 2.645 0.061 79 HG2 PRO 9 HG2 PRO 9 -19.063 2.860 2.765 80 HG2 PRO 9 HG2 PRO 9 -20.097 2.754 2.934 81 HG3 PRO 9 HG3 PRO 9 -20.210 1.762 1.977 82 HG3 PRO 9 HG3 PRO 9 -21.249 1.662 2.145 83 HD2 PRO 9 HD2 PRO 9 -17.753 0.965 2.789 84 HD2 PRO 9 HD2 PRO 9 -18.711 0.926 2.731 85 HD3 PRO 9 HD3 PRO 9 -18.560 0.273 1.367 86 HD3 PRO 9 HD3 PRO 9 -19.585 0.301 1.316 87 H GLY 10 H GLY 10 -17.119 5.168 -0.935 88 H GLY 10 H GLY 10 -17.384 4.839 -0.777 89 HA2 GLY 10 HA2 GLY 10 -16.574 7.322 -0.185 90 HA2 GLY 10 HA2 GLY 10 -17.255 7.180 0.149 91 HA3 GLY 10 HA3 GLY 10 -16.398 6.686 1.443 92 HA3 GLY 10 HA3 GLY 10 -16.912 6.402 1.686 93 H TRP 11 H TRP 11 -14.697 4.486 0.042 94 H TRP 11 H TRP 11 -15.183 4.377 0.743 95 HA TRP 11 HA TRP 11 -12.199 6.002 0.251 96 HA TRP 11 HA TRP 11 -12.761 5.910 0.529 97 HB2 TRP 11 HB2 TRP 11 -12.739 3.029 0.361 98 HB2 TRP 11 HB2 TRP 11 -13.408 2.992 0.798 99 HB3 TRP 11 HB3 TRP 11 -11.137 3.751 0.457 100 HB3 TRP 11 HB3 TRP 11 -11.779 3.493 0.354 101 HD1 TRP 11 HD1 TRP 11 -14.389 3.421 2.471 102 HD1 TRP 11 HD1 TRP 11 -14.272 3.675 3.267 103 HE1 TRP 11 HE1 TRP 11 -13.873 3.938 4.939 104 HE1 TRP 11 HE1 TRP 11 -12.972 4.227 5.418 105 HE3 TRP 11 HE3 TRP 11 -9.541 4.967 1.980 106 HE3 TRP 11 HE3 TRP 11 -9.670 4.571 1.229 107 HZ2 TRP 11 HZ2 TRP 11 -11.699 4.878 6.474 108 HZ2 TRP 11 HZ2 TRP 11 -10.345 4.948 6.155 109 HZ3 TRP 11 HZ3 TRP 11 -8.313 5.660 3.997 110 HZ3 TRP 11 HZ3 TRP 11 -7.817 5.188 2.726 111 HH2 TRP 11 HH2 TRP 11 -9.372 5.616 6.198 112 HH2 TRP 11 HH2 TRP 11 -8.150 5.371 5.137 113 H GLU 12 H GLU 12 -10.600 5.914 -1.329 114 H GLU 12 H GLU 12 -11.149 5.631 -1.122 115 HA GLU 12 HA GLU 12 -11.482 4.862 -3.937 116 HA GLU 12 HA GLU 12 -12.212 4.715 -3.708 117 HB2 GLU 12 HB2 GLU 12 -9.942 7.365 -3.265 118 HB2 GLU 12 HB2 GLU 12 -12.301 7.198 -3.535 119 HB3 GLU 12 HB3 GLU 12 -9.977 6.690 -4.888 120 HB3 GLU 12 HB3 GLU 12 -10.558 7.212 -3.295 121 HG2 GLU 12 HG2 GLU 12 -12.528 7.271 -3.452 122 HG2 GLU 12 HG2 GLU 12 -10.297 6.131 -5.511 123 HG3 GLU 12 HG3 GLU 12 -11.632 8.570 -4.238 124 HG3 GLU 12 HG3 GLU 12 -12.038 6.292 -5.748 125 H LYS 13 H LYS 13 -10.029 3.741 -5.177 126 H LYS 13 H LYS 13 -10.983 3.155 -4.501 127 HA LYS 13 HA LYS 13 -7.519 3.001 -3.834 128 HA LYS 13 HA LYS 13 -8.363 2.620 -3.467 129 HB2 LYS 13 HB2 LYS 13 -9.282 1.230 -4.362 130 HB2 LYS 13 HB2 LYS 13 -9.748 0.749 -4.046 131 HB3 LYS 13 HB3 LYS 13 -8.863 1.468 -6.054 132 HB3 LYS 13 HB3 LYS 13 -9.983 1.356 -5.679 133 HG2 LYS 13 HG2 LYS 13 -6.833 0.458 -5.840 134 HG2 LYS 13 HG2 LYS 13 -7.959 0.620 -6.397 135 HG3 LYS 13 HG3 LYS 13 -6.660 0.913 -4.143 136 HG3 LYS 13 HG3 LYS 13 -7.201 0.816 -4.815 137 HD2 LYS 13 HD2 LYS 13 -7.534 -1.019 -3.456 138 HD2 LYS 13 HD2 LYS 13 -8.151 -1.193 -4.006 139 HD3 LYS 13 HD3 LYS 13 -8.915 -0.855 -4.542 140 HD3 LYS 13 HD3 LYS 13 -9.265 -1.301 -5.370 141 HE2 LYS 13 HE2 LYS 13 -8.040 -2.639 -5.585 142 HE2 LYS 13 HE2 LYS 13 -6.356 -1.264 -5.961 143 HE3 LYS 13 HE3 LYS 13 -6.916 -1.475 -6.285 144 HE3 LYS 13 HE3 LYS 13 -7.024 -2.728 -5.240 145 HZ1 LYS 13 HZ1 LYS 13 -6.443 -3.546 -4.336 146 HZ1 LYS 13 HZ1 LYS 13 -8.243 -3.192 -7.081 147 HZ2 LYS 13 HZ2 LYS 13 -5.750 -2.058 -3.930 148 HZ2 LYS 13 HZ2 LYS 13 -6.980 -2.352 -7.832 149 HZ3 LYS 13 HZ3 LYS 13 -5.364 -2.797 -5.402 150 HZ3 LYS 13 HZ3 LYS 13 -8.446 -1.568 -7.515 151 H ARG 14 H ARG 14 -5.709 3.796 -4.658 152 H ARG 14 H ARG 14 -6.783 4.002 -4.022 153 HA ARG 14 HA ARG 14 -5.544 4.247 -7.557 154 HA ARG 14 HA ARG 14 -6.555 4.811 -6.839 155 HB2 ARG 14 HB2 ARG 14 -4.236 6.150 -5.643 156 HB2 ARG 14 HB2 ARG 14 -5.183 5.996 -4.420 157 HB3 ARG 14 HB3 ARG 14 -4.650 6.391 -7.335 158 HB3 ARG 14 HB3 ARG 14 -5.139 6.628 -6.059 159 HG2 ARG 14 HG2 ARG 14 -7.102 5.990 -6.209 160 HG2 ARG 14 HG2 ARG 14 -7.838 6.289 -4.990 161 HG3 ARG 14 HG3 ARG 14 -6.239 6.843 -4.928 162 HG3 ARG 14 HG3 ARG 14 -6.843 7.442 -4.097 163 HD2 ARG 14 HD2 ARG 14 -5.818 8.702 -6.297 164 HD2 ARG 14 HD2 ARG 14 -7.997 8.648 -5.801 165 HD3 ARG 14 HD3 ARG 14 -6.204 7.811 -7.768 166 HD3 ARG 14 HD3 ARG 14 -6.302 8.537 -6.277 167 HE ARG 14 HE ARG 14 -8.059 9.108 -5.979 168 HE ARG 14 HE ARG 14 -7.377 6.428 -7.537 169 HH11 ARG 14 HH11 ARG 14 -7.639 6.708 -8.466 170 HH11 ARG 14 HH11 ARG 14 -8.345 9.766 -7.341 171 HH12 ARG 14 HH12 ARG 14 -9.300 6.738 -8.959 172 HH12 ARG 14 HH12 ARG 14 -9.081 9.782 -8.909 173 HH21 ARG 14 HH21 ARG 14 -10.247 9.157 -6.618 174 HH21 ARG 14 HH21 ARG 14 -8.342 6.435 -9.603 175 HH22 ARG 14 HH22 ARG 14 -10.782 8.132 -7.907 176 HH22 ARG 14 HH22 ARG 14 -9.080 7.885 -10.194 177 H MET 15 H MET 15 -3.414 4.157 -8.437 178 H MET 15 H MET 15 -4.280 5.046 -7.652 179 HA MET 15 HA MET 15 -1.526 2.681 -6.726 180 HA MET 15 HA MET 15 -2.477 3.022 -6.519 181 HB2 MET 15 HB2 MET 15 -2.653 1.927 -9.153 182 HB2 MET 15 HB2 MET 15 -3.932 2.414 -8.679 183 HB3 MET 15 HB3 MET 15 -1.037 2.470 -9.586 184 HB3 MET 15 HB3 MET 15 -2.607 3.247 -9.481 185 HG2 MET 15 HG2 MET 15 -0.304 0.468 -9.008 186 HG2 MET 15 HG2 MET 15 -1.631 1.367 -7.523 187 HG3 MET 15 HG3 MET 15 -0.657 0.898 -7.333 188 HG3 MET 15 HG3 MET 15 -2.691 0.587 -8.695 189 HE1 MET 15 HE1 MET 15 -2.232 -0.737 -10.618 190 HE1 MET 15 HE1 MET 15 -1.790 -0.270 -10.993 191 HE2 MET 15 HE2 MET 15 -0.966 -1.680 -9.832 192 HE2 MET 15 HE2 MET 15 -0.035 -0.448 -11.024 193 HE3 MET 15 HE3 MET 15 -2.628 -2.273 -9.845 194 HE3 MET 15 HE3 MET 15 -0.949 -0.941 -9.596 195 H SER 16 H SER 16 0.040 3.989 -6.049 196 H SER 16 H SER 16 -0.261 3.349 -6.933 197 HA SER 16 HA SER 16 0.808 6.361 -7.438 198 HA SER 16 HA SER 16 0.396 6.139 -7.518 199 HB2 SER 16 HB2 SER 16 1.218 5.248 -4.855 200 HB2 SER 16 HB2 SER 16 1.825 3.919 -6.080 201 HB3 SER 16 HB3 SER 16 2.807 5.586 -5.542 202 HB3 SER 16 HB3 SER 16 2.705 5.346 -6.630 203 HG SER 16 HG SER 16 0.668 7.451 -5.487 204 HG SER 16 HG SER 16 2.051 5.937 -4.664 205 H ARG 17 H ARG 17 1.852 6.237 -9.318 206 H ARG 17 H ARG 17 2.240 6.658 -8.855 207 HA ARG 17 HA ARG 17 3.361 4.113 -10.269 208 HA ARG 17 HA ARG 17 2.761 4.630 -10.929 209 HB2 ARG 17 HB2 ARG 17 3.947 5.478 -12.063 210 HB2 ARG 17 HB2 ARG 17 2.842 6.402 -12.586 211 HB3 ARG 17 HB3 ARG 17 2.444 6.197 -11.499 212 HB3 ARG 17 HB3 ARG 17 1.298 6.440 -11.745 213 HG2 ARG 17 HG2 ARG 17 4.182 7.627 -10.049 214 HG2 ARG 17 HG2 ARG 17 1.680 8.469 -10.858 215 HG3 ARG 17 HG3 ARG 17 5.195 7.258 -11.447 216 HG3 ARG 17 HG3 ARG 17 3.396 8.148 -10.596 217 HD2 ARG 17 HD2 ARG 17 2.496 8.602 -11.465 218 HD2 ARG 17 HD2 ARG 17 2.089 8.832 -13.228 219 HD3 ARG 17 HD3 ARG 17 4.054 9.351 -11.813 220 HD3 ARG 17 HD3 ARG 17 3.077 9.913 -12.248 221 HE ARG 17 HE ARG 17 3.390 7.138 -13.535 222 HE ARG 17 HE ARG 17 4.698 7.778 -12.709 223 HH11 ARG 17 HH11 ARG 17 3.143 10.573 -13.024 224 HH11 ARG 17 HH11 ARG 17 2.869 9.933 -14.741 225 HH12 ARG 17 HH12 ARG 17 2.902 10.938 -14.701 226 HH12 ARG 17 HH12 ARG 17 3.966 9.814 -16.076 227 HH21 ARG 17 HH21 ARG 17 3.071 7.604 -15.745 228 HH21 ARG 17 HH21 ARG 17 6.152 7.614 -14.460 229 HH22 ARG 17 HH22 ARG 17 2.860 9.247 -16.247 230 HH22 ARG 17 HH22 ARG 17 5.834 8.496 -15.915 231 H ASN 18 H ASN 18 5.781 4.546 -10.999 232 H ASN 18 H ASN 18 4.397 4.761 -8.737 233 HA ASN 18 HA ASN 18 7.952 4.464 -10.320 234 HA ASN 18 HA ASN 18 6.911 5.490 -9.967 235 HB2 ASN 18 HB2 ASN 18 6.947 7.036 -9.713 236 HB2 ASN 18 HB2 ASN 18 5.714 7.352 -8.282 237 HB3 ASN 18 HB3 ASN 18 7.949 6.554 -8.346 238 HB3 ASN 18 HB3 ASN 18 6.883 6.536 -7.250 239 HD21 ASN 18 HD21 ASN 18 8.014 8.169 -11.142 240 HD21 ASN 18 HD21 ASN 18 6.881 9.265 -8.237 241 HD22 ASN 18 HD22 ASN 18 9.669 7.958 -11.588 242 HD22 ASN 18 HD22 ASN 18 8.355 9.463 -9.118 243 H SER 19 H SER 19 5.887 3.002 -8.760 244 H SER 19 H SER 19 5.410 4.518 -6.885 245 HA SER 19 HA SER 19 7.533 1.903 -6.783 246 HA SER 19 HA SER 19 7.633 2.679 -6.405 247 HB2 SER 19 HB2 SER 19 6.353 2.671 -4.737 248 HB2 SER 19 HB2 SER 19 6.868 2.540 -4.144 249 HB3 SER 19 HB3 SER 19 7.192 3.984 -5.562 250 HB3 SER 19 HB3 SER 19 6.784 4.241 -4.601 251 HG SER 19 HG SER 19 5.312 4.839 -6.161 252 HG SER 19 HG SER 19 4.748 4.151 -4.134 253 H GLY 20 H GLY 20 4.266 2.550 -7.896 254 H GLY 20 H GLY 20 4.244 2.723 -7.209 255 HA2 GLY 20 HA2 GLY 20 2.439 1.183 -8.138 256 HA2 GLY 20 HA2 GLY 20 3.136 0.944 -8.290 257 HA3 GLY 20 HA3 GLY 20 3.583 -0.151 -8.167 258 HA3 GLY 20 HA3 GLY 20 4.357 -0.160 -7.674 259 H ARG 21 H ARG 21 2.624 2.151 -5.622 260 H ARG 21 H ARG 21 4.074 1.009 -4.939 261 HA ARG 21 HA ARG 21 2.090 -0.165 -3.883 262 HA ARG 21 HA ARG 21 2.359 -0.850 -3.824 263 HB2 ARG 21 HB2 ARG 21 3.544 2.292 -3.477 264 HB2 ARG 21 HB2 ARG 21 3.500 1.739 -2.852 265 HB3 ARG 21 HB3 ARG 21 2.229 2.165 -2.314 266 HB3 ARG 21 HB3 ARG 21 2.295 0.911 -1.875 267 HG2 ARG 21 HG2 ARG 21 3.205 0.483 -1.195 268 HG2 ARG 21 HG2 ARG 21 3.698 -0.792 -1.336 269 HG3 ARG 21 HG3 ARG 21 3.816 -0.278 -2.665 270 HG3 ARG 21 HG3 ARG 21 4.582 -0.691 -2.859 271 HD2 ARG 21 HD2 ARG 21 5.708 0.449 -1.431 272 HD2 ARG 21 HD2 ARG 21 6.007 0.013 -1.041 273 HD3 ARG 21 HD3 ARG 21 5.522 1.563 -2.784 274 HD3 ARG 21 HD3 ARG 21 5.639 1.393 -2.075 275 HE ARG 21 HE ARG 21 4.977 2.143 0.035 276 HE ARG 21 HE ARG 21 4.625 0.926 0.632 277 HH11 ARG 21 HH11 ARG 21 5.193 3.208 -3.272 278 HH11 ARG 21 HH11 ARG 21 4.845 2.948 -2.194 279 HH12 ARG 21 HH12 ARG 21 5.179 4.892 -2.867 280 HH12 ARG 21 HH12 ARG 21 4.245 4.361 -1.389 281 HH21 ARG 21 HH21 ARG 21 4.958 4.358 0.580 282 HH21 ARG 21 HH21 ARG 21 3.837 2.779 1.703 283 HH22 ARG 21 HH22 ARG 21 5.046 5.545 -0.677 284 HH22 ARG 21 HH22 ARG 21 3.675 4.264 0.829 285 H VAL 22 H VAL 22 -0.058 -0.437 -4.605 286 H VAL 22 H VAL 22 0.351 -0.426 -2.567 287 HA VAL 22 HA VAL 22 -2.008 1.551 -4.760 288 HA VAL 22 HA VAL 22 -1.453 1.302 -4.124 289 HB VAL 22 HB VAL 22 -2.115 -0.935 -5.488 290 HB VAL 22 HB VAL 22 -2.124 -1.109 -2.432 291 HG11 VAL 22 HG11 VAL 22 -3.354 -1.187 -2.752 292 HG11 VAL 22 HG11 VAL 22 -3.910 0.559 -2.428 293 HG12 VAL 22 HG12 VAL 22 -3.183 -2.452 -3.972 294 HG12 VAL 22 HG12 VAL 22 -3.896 0.584 -4.193 295 HG13 VAL 22 HG13 VAL 22 -1.753 -1.793 -3.175 296 HG13 VAL 22 HG13 VAL 22 -4.380 -0.878 -3.333 297 HG21 VAL 22 HG21 VAL 22 -3.887 0.728 -5.849 298 HG21 VAL 22 HG21 VAL 22 -0.979 -1.140 -4.885 299 HG22 VAL 22 HG22 VAL 22 -4.544 -0.869 -5.498 300 HG22 VAL 22 HG22 VAL 22 -2.061 -2.395 -4.282 301 HG23 VAL 22 HG23 VAL 22 -4.535 0.374 -4.246 302 HG23 VAL 22 HG23 VAL 22 -2.688 -1.112 -5.317 303 H TYR 23 H TYR 23 -3.480 2.393 -3.331 304 H TYR 23 H TYR 23 -2.750 2.780 -3.124 305 HA TYR 23 HA TYR 23 -3.488 1.493 -0.567 306 HA TYR 23 HA TYR 23 -2.667 2.946 -0.197 307 HB2 TYR 23 HB2 TYR 23 -3.033 3.734 0.327 308 HB2 TYR 23 HB2 TYR 23 -2.149 5.291 -0.222 309 HB3 TYR 23 HB3 TYR 23 -1.669 3.135 -0.611 310 HB3 TYR 23 HB3 TYR 23 -0.929 4.462 -1.178 311 HD1 TYR 23 HD1 TYR 23 -1.315 4.011 -2.943 312 HD1 TYR 23 HD1 TYR 23 -0.899 4.691 -3.625 313 HD2 TYR 23 HD2 TYR 23 -4.125 5.746 -0.261 314 HD2 TYR 23 HD2 TYR 23 -3.683 6.844 -1.233 315 HE1 TYR 23 HE1 TYR 23 -1.353 6.052 -4.313 316 HE1 TYR 23 HE1 TYR 23 -1.363 6.185 -5.522 317 HE2 TYR 23 HE2 TYR 23 -4.173 7.793 -1.624 318 HE2 TYR 23 HE2 TYR 23 -4.156 8.345 -3.125 319 HH TYR 23 HH TYR 23 -2.683 8.956 -3.247 320 HH TYR 23 HH TYR 23 -2.548 7.908 -6.263 321 H TYR 24 H TYR 24 -5.052 3.013 0.723 322 H TYR 24 H TYR 24 -4.552 3.538 0.726 323 HA TYR 24 HA TYR 24 -7.376 3.570 -1.002 324 HA TYR 24 HA TYR 24 -6.789 4.119 -1.086 325 HB2 TYR 24 HB2 TYR 24 -7.321 2.431 1.799 326 HB2 TYR 24 HB2 TYR 24 -6.882 3.148 1.777 327 HB3 TYR 24 HB3 TYR 24 -8.785 2.932 0.963 328 HB3 TYR 24 HB3 TYR 24 -8.246 3.291 0.675 329 HD1 TYR 24 HD1 TYR 24 -6.145 0.406 1.157 330 HD1 TYR 24 HD1 TYR 24 -6.249 0.975 2.169 331 HD2 TYR 24 HD2 TYR 24 -9.671 1.626 -0.890 332 HD2 TYR 24 HD2 TYR 24 -7.616 2.029 -1.718 333 HE1 TYR 24 HE1 TYR 24 -6.322 -1.826 0.139 334 HE1 TYR 24 HE1 TYR 24 -5.874 -1.337 1.418 335 HE2 TYR 24 HE2 TYR 24 -9.857 -0.603 -1.912 336 HE2 TYR 24 HE2 TYR 24 -7.246 -0.279 -2.481 337 HH TYR 24 HH TYR 24 -7.342 -3.027 -1.503 338 HH TYR 24 HH TYR 24 -6.443 -2.843 -0.263 339 H PHE 25 H PHE 25 -8.054 5.601 -0.984 340 H PHE 25 H PHE 25 -8.084 5.884 -0.817 341 HA PHE 25 HA PHE 25 -7.375 7.289 1.334 342 HA PHE 25 HA PHE 25 -7.592 7.670 1.443 343 HB2 PHE 25 HB2 PHE 25 -6.105 7.911 -0.684 344 HB2 PHE 25 HB2 PHE 25 -6.184 8.828 0.057 345 HB3 PHE 25 HB3 PHE 25 -7.615 8.135 -1.560 346 HB3 PHE 25 HB3 PHE 25 -6.974 8.251 -1.405 347 HD1 PHE 25 HD1 PHE 25 -6.062 9.269 1.642 348 HD1 PHE 25 HD1 PHE 25 -7.151 10.707 1.329 349 HD2 PHE 25 HD2 PHE 25 -8.334 10.292 -1.810 350 HD2 PHE 25 HD2 PHE 25 -8.723 9.483 -2.431 351 HE1 PHE 25 HE1 PHE 25 -6.145 11.610 2.395 352 HE1 PHE 25 HE1 PHE 25 -8.331 12.857 1.129 353 HE2 PHE 25 HE2 PHE 25 -8.421 12.635 -1.063 354 HE2 PHE 25 HE2 PHE 25 -9.905 11.632 -2.640 355 HZ PHE 25 HZ PHE 25 -7.325 13.297 1.041 356 HZ PHE 25 HZ PHE 25 -9.709 13.322 -0.858 357 H ASN 26 H ASN 26 -9.021 8.214 2.370 358 H ASN 26 H ASN 26 -9.411 8.556 2.206 359 HA ASN 26 HA ASN 26 -11.704 7.922 1.255 360 HA ASN 26 HA ASN 26 -11.801 8.514 0.483 361 HB2 ASN 26 HB2 ASN 26 -11.037 7.217 3.640 362 HB2 ASN 26 HB2 ASN 26 -11.918 6.730 2.179 363 HB3 ASN 26 HB3 ASN 26 -11.046 8.938 4.013 364 HB3 ASN 26 HB3 ASN 26 -11.692 7.925 3.451 365 HD21 ASN 26 HD21 ASN 26 -12.705 7.470 5.430 366 HD21 ASN 26 HD21 ASN 26 -13.806 6.520 3.832 367 HD22 ASN 26 HD22 ASN 26 -14.343 7.669 4.917 368 HD22 ASN 26 HD22 ASN 26 -15.259 7.330 3.369 369 H HIS 27 H HIS 27 -12.707 9.561 0.309 370 H HIS 27 H HIS 27 -12.854 10.389 0.303 371 HA HIS 27 HA HIS 27 -11.563 12.203 0.341 372 HA HIS 27 HA HIS 27 -11.821 12.751 1.504 373 HB2 HIS 27 HB2 HIS 27 -13.582 12.718 -1.134 374 HB2 HIS 27 HB2 HIS 27 -13.828 13.833 0.409 375 HB3 HIS 27 HB3 HIS 27 -12.436 11.532 -1.754 376 HB3 HIS 27 HB3 HIS 27 -12.758 12.954 -0.677 377 HD1 HIS 27 HD1 HIS 27 -15.769 11.606 0.067 378 HD1 HIS 27 HD1 HIS 27 -13.637 10.571 -1.485 379 HD2 HIS 27 HD2 HIS 27 -13.574 9.185 -2.496 380 HD2 HIS 27 HD2 HIS 27 -16.432 12.973 0.433 381 HE1 HIS 27 HE1 HIS 27 -17.297 9.699 -0.529 382 HE1 HIS 27 HE1 HIS 27 -15.877 9.571 -2.040 383 H ILE 28 H ILE 28 -13.855 10.532 2.198 384 H ILE 28 H ILE 28 -13.854 10.390 2.684 385 HA ILE 28 HA ILE 28 -15.384 12.875 2.952 386 HA ILE 28 HA ILE 28 -15.457 12.182 4.332 387 HB ILE 28 HB ILE 28 -15.446 10.064 4.056 388 HB ILE 28 HB ILE 28 -15.424 9.164 4.204 389 HG12 ILE 28 HG12 ILE 28 -17.156 11.513 2.033 390 HG12 ILE 28 HG12 ILE 28 -17.095 11.278 2.879 391 HG13 ILE 28 HG13 ILE 28 -16.206 10.051 1.786 392 HG13 ILE 28 HG13 ILE 28 -16.319 9.871 2.159 393 HG21 ILE 28 HG21 ILE 28 -16.190 11.763 5.677 394 HG21 ILE 28 HG21 ILE 28 -17.444 10.958 5.534 395 HG22 ILE 28 HG22 ILE 28 -17.375 12.336 4.504 396 HG22 ILE 28 HG22 ILE 28 -17.389 9.196 5.564 397 HG23 ILE 28 HG23 ILE 28 -17.502 10.704 5.160 398 HG23 ILE 28 HG23 ILE 28 -16.142 10.130 6.388 399 HD11 ILE 28 HD11 ILE 28 -17.704 8.868 3.353 400 HD11 ILE 28 HD11 ILE 28 -18.643 9.457 2.170 401 HD12 ILE 28 HD12 ILE 28 -18.688 10.328 3.459 402 HD12 ILE 28 HD12 ILE 28 -17.944 8.455 3.444 403 HD13 ILE 28 HD13 ILE 28 -18.529 9.482 1.920 404 HD13 ILE 28 HD13 ILE 28 -18.792 9.944 3.858 405 H THR 29 H THR 29 -13.077 10.654 4.494 406 H THR 29 H THR 29 -12.800 9.901 4.618 407 HA THR 29 HA THR 29 -12.853 12.493 6.766 408 HA THR 29 HA THR 29 -12.684 10.295 7.511 409 HB THR 29 HB THR 29 -11.510 10.653 7.813 410 HB THR 29 HB THR 29 -10.957 8.564 7.516 411 HG1 THR 29 HG1 THR 29 -11.506 8.641 6.789 412 HG1 THR 29 HG1 THR 29 -10.078 7.820 5.692 413 HG21 THR 29 HG21 THR 29 -13.555 9.037 7.911 414 HG21 THR 29 HG21 THR 29 -12.842 7.347 7.732 415 HG22 THR 29 HG22 THR 29 -14.358 10.295 6.972 416 HG22 THR 29 HG22 THR 29 -12.496 6.832 6.081 417 HG23 THR 29 HG23 THR 29 -13.700 10.668 8.564 418 HG23 THR 29 HG23 THR 29 -13.631 8.149 6.375 419 H ASN 30 H ASN 30 -11.469 12.168 3.841 420 H ASN 30 H ASN 30 -10.839 10.951 4.581 421 HA ASN 30 HA ASN 30 -9.457 12.697 2.903 422 HA ASN 30 HA ASN 30 -9.178 12.446 4.147 423 HB2 ASN 30 HB2 ASN 30 -8.782 14.433 5.232 424 HB2 ASN 30 HB2 ASN 30 -9.356 13.552 6.931 425 HB3 ASN 30 HB3 ASN 30 -8.671 14.774 3.509 426 HB3 ASN 30 HB3 ASN 30 -9.012 14.393 5.421 427 HD21 ASN 30 HD21 ASN 30 -11.116 14.362 2.561 428 HD21 ASN 30 HD21 ASN 30 -11.074 13.551 3.836 429 HD22 ASN 30 HD22 ASN 30 -12.268 15.404 3.317 430 HD22 ASN 30 HD22 ASN 30 -12.570 14.137 4.470 431 H ALA 31 H ALA 31 -9.516 10.452 4.817 432 H ALA 31 H ALA 31 -8.496 9.893 5.011 433 HA ALA 31 HA ALA 31 -6.804 10.540 5.925 434 HA ALA 31 HA ALA 31 -5.803 10.356 5.912 435 HB1 ALA 31 HB1 ALA 31 -8.359 9.815 7.542 436 HB1 ALA 31 HB1 ALA 31 -5.838 9.441 7.988 437 HB2 ALA 31 HB2 ALA 31 -9.139 8.709 6.410 438 HB2 ALA 31 HB2 ALA 31 -7.482 10.080 7.959 439 HB3 ALA 31 HB3 ALA 31 -7.518 8.360 7.006 440 HB3 ALA 31 HB3 ALA 31 -7.193 8.374 7.618 441 H SER 32 H SER 32 -5.266 8.945 5.452 442 H SER 32 H SER 32 -4.490 8.960 4.927 443 HA SER 32 HA SER 32 -5.834 7.312 3.067 444 HA SER 32 HA SER 32 -5.694 6.629 3.613 445 HB2 SER 32 HB2 SER 32 -3.817 7.905 2.052 446 HB2 SER 32 HB2 SER 32 -3.339 6.668 2.444 447 HB3 SER 32 HB3 SER 32 -4.336 9.428 2.772 448 HB3 SER 32 HB3 SER 32 -4.583 7.821 1.962 449 HG SER 32 HG SER 32 -2.081 8.120 3.198 450 HG SER 32 HG SER 32 -2.635 8.899 2.305 451 H GLN 33 H GLN 33 -4.946 5.272 3.000 452 H GLN 33 H GLN 33 -4.434 4.625 3.533 453 HA GLN 33 HA GLN 33 -3.117 4.398 5.064 454 HA GLN 33 HA GLN 33 -2.320 4.169 5.392 455 HB2 GLN 33 HB2 GLN 33 -5.826 4.184 5.587 456 HB2 GLN 33 HB2 GLN 33 -3.499 2.674 6.913 457 HB3 GLN 33 HB3 GLN 33 -5.407 2.591 4.971 458 HB3 GLN 33 HB3 GLN 33 -4.205 4.283 6.966 459 HG2 GLN 33 HG2 GLN 33 -3.875 2.200 6.690 460 HG2 GLN 33 HG2 GLN 33 -6.152 3.617 5.975 461 HG3 GLN 33 HG3 GLN 33 -3.801 3.906 7.130 462 HG3 GLN 33 HG3 GLN 33 -5.390 2.270 5.130 463 HE21 GLN 33 HE21 GLN 33 -6.453 1.601 6.633 464 HE21 GLN 33 HE21 GLN 33 -7.808 2.305 6.743 465 HE22 GLN 33 HE22 GLN 33 -7.201 1.868 8.167 466 HE22 GLN 33 HE22 GLN 33 -7.558 1.164 8.016 467 H PHE 34 H PHE 34 -2.306 2.236 4.700 468 H PHE 34 H PHE 34 -1.407 2.094 5.200 469 HA PHE 34 HA PHE 34 -2.205 1.620 1.865 470 HA PHE 34 HA PHE 34 -2.094 0.765 2.706 471 HB2 PHE 34 HB2 PHE 34 -0.655 0.650 4.262 472 HB2 PHE 34 HB2 PHE 34 0.150 -0.114 4.485 473 HB3 PHE 34 HB3 PHE 34 -0.485 -0.099 2.679 474 HB3 PHE 34 HB3 PHE 34 0.045 -0.147 2.729 475 HD1 PHE 34 HD1 PHE 34 0.846 2.281 4.824 476 HD1 PHE 34 HD1 PHE 34 1.419 1.513 5.500 477 HD2 PHE 34 HD2 PHE 34 -0.085 1.668 0.718 478 HD2 PHE 34 HD2 PHE 34 -0.075 2.199 1.574 479 HE1 PHE 34 HE1 PHE 34 2.496 3.996 4.200 480 HE1 PHE 34 HE1 PHE 34 2.683 3.620 5.391 481 HE2 PHE 34 HE2 PHE 34 1.565 3.380 0.084 482 HE2 PHE 34 HE2 PHE 34 1.187 4.307 1.459 483 HZ PHE 34 HZ PHE 34 2.858 4.546 1.825 484 HZ PHE 34 HZ PHE 34 2.570 5.021 3.367 485 H GLU 35 H GLU 35 -3.333 0.170 4.866 486 H GLU 35 H GLU 35 -4.127 0.316 4.356 487 HA GLU 35 HA GLU 35 -4.093 -2.299 3.562 488 HA GLU 35 HA GLU 35 -3.943 -2.541 4.830 489 HB2 GLU 35 HB2 GLU 35 -4.886 -1.444 6.338 490 HB2 GLU 35 HB2 GLU 35 -3.957 -0.578 6.983 491 HB3 GLU 35 HB3 GLU 35 -4.729 -3.076 5.706 492 HB3 GLU 35 HB3 GLU 35 -5.304 -1.703 7.101 493 HG2 GLU 35 HG2 GLU 35 -2.704 -3.130 6.594 494 HG2 GLU 35 HG2 GLU 35 -3.694 -2.782 8.320 495 HG3 GLU 35 HG3 GLU 35 -2.211 -1.957 5.378 496 HG3 GLU 35 HG3 GLU 35 -3.476 -3.513 6.730 497 H ARG 36 H ARG 36 -6.410 -3.104 4.129 498 H ARG 36 H ARG 36 -5.818 -3.572 4.405 499 HA ARG 36 HA ARG 36 -8.242 -1.124 3.023 500 HA ARG 36 HA ARG 36 -7.839 -2.402 2.957 501 HB2 ARG 36 HB2 ARG 36 -8.104 -3.402 2.039 502 HB2 ARG 36 HB2 ARG 36 -7.413 -4.853 3.165 503 HB3 ARG 36 HB3 ARG 36 -8.687 -4.066 3.559 504 HB3 ARG 36 HB3 ARG 36 -8.161 -4.809 4.756 505 HG2 ARG 36 HG2 ARG 36 -10.606 -2.225 3.014 506 HG2 ARG 36 HG2 ARG 36 -9.981 -5.429 3.586 507 HG3 ARG 36 HG3 ARG 36 -10.148 -2.746 1.392 508 HG3 ARG 36 HG3 ARG 36 -10.125 -3.690 3.326 509 HD2 ARG 36 HD2 ARG 36 -10.717 -4.731 3.567 510 HD2 ARG 36 HD2 ARG 36 -8.984 -3.892 1.191 511 HD3 ARG 36 HD3 ARG 36 -12.017 -4.027 2.606 512 HD3 ARG 36 HD3 ARG 36 -8.746 -5.618 1.460 513 HE ARG 36 HE ARG 36 -9.898 -5.142 1.024 514 HE ARG 36 HE ARG 36 -11.109 -4.341 0.495 515 HH11 ARG 36 HH11 ARG 36 -12.856 -5.827 2.725 516 HH11 ARG 36 HH11 ARG 36 -9.930 -7.062 2.320 517 HH12 ARG 36 HH12 ARG 36 -13.230 -7.230 1.778 518 HH12 ARG 36 HH12 ARG 36 -11.304 -8.057 1.973 519 HH21 ARG 36 HH21 ARG 36 -10.378 -6.986 -0.232 520 HH21 ARG 36 HH21 ARG 36 -12.925 -5.642 0.030 521 HH22 ARG 36 HH22 ARG 36 -11.819 -7.887 0.097 522 HH22 ARG 36 HH22 ARG 36 -13.007 -7.250 0.670 523 HA PRO 37 HA PRO 37 -9.649 -0.408 7.234 524 HA PRO 37 HA PRO 37 -9.764 -0.031 6.261 525 HB2 PRO 37 HB2 PRO 37 -11.208 1.720 6.593 526 HB2 PRO 37 HB2 PRO 37 -11.364 1.406 4.604 527 HB3 PRO 37 HB3 PRO 37 -9.454 1.837 6.785 528 HB3 PRO 37 HB3 PRO 37 -9.655 1.784 4.857 529 HG2 PRO 37 HG2 PRO 37 -11.075 1.608 4.278 530 HG2 PRO 37 HG2 PRO 37 -10.952 0.288 2.611 531 HG3 PRO 37 HG3 PRO 37 -9.680 2.649 4.617 532 HG3 PRO 37 HG3 PRO 37 -9.674 1.515 2.547 533 HD2 PRO 37 HD2 PRO 37 -9.469 0.346 3.209 534 HD2 PRO 37 HD2 PRO 37 -9.159 -1.139 2.361 535 HD3 PRO 37 HD3 PRO 37 -8.165 0.954 4.249 536 HD3 PRO 37 HD3 PRO 37 -8.025 0.006 3.108 537 H SER 38 H SER 38 -11.689 -0.513 8.310 538 H SER 38 H SER 38 -11.226 -1.097 7.440 539 HA SER 38 HA SER 38 -13.786 -1.809 6.697 540 HA SER 38 HA SER 38 -13.214 -2.800 6.334 541 HB2 SER 38 HB2 SER 38 -12.643 -3.203 8.476 542 HB2 SER 38 HB2 SER 38 -14.047 -2.955 8.672 543 HB3 SER 38 HB3 SER 38 -13.371 -2.132 9.673 544 HB3 SER 38 HB3 SER 38 -12.310 -3.242 8.546 545 HG SER 38 HG SER 38 -14.941 -3.410 7.711 546 HG SER 38 HG SER 38 -12.310 -1.790 10.098 547 H GLY 39 H GLY 39 -16.019 -1.510 7.504 548 H GLY 39 H GLY 39 -13.788 -0.013 8.479 549 HA2 GLY 39 HA2 GLY 39 -17.770 -0.078 7.908 550 HA2 GLY 39 HA2 GLY 39 -15.125 1.838 7.343 551 HA3 GLY 39 HA3 GLY 39 -16.851 0.385 9.333 552 HA3 GLY 39 HA3 GLY 39 -16.231 0.538 6.922 Start of MODEL 5 1 H1 SER 5 H SER 5 -11.571 -1.543 -7.932 2 H1 SER 5 H SER 5 -12.851 -2.553 -7.887 3 HA SER 5 HA SER 5 -11.614 -3.946 -7.778 4 HA SER 5 HA SER 5 -12.936 -4.843 -6.824 5 HB2 SER 5 HB2 SER 5 -9.545 -3.336 -6.901 6 HB2 SER 5 HB2 SER 5 -10.746 -4.762 -5.983 7 HB3 SER 5 HB3 SER 5 -10.263 -2.503 -5.522 8 HB3 SER 5 HB3 SER 5 -10.794 -3.416 -7.124 9 HG SER 5 HG SER 5 -9.783 -4.297 -4.528 10 HG SER 5 HG SER 5 -10.686 -3.396 -4.336 11 H LYS 6 H LYS 6 -12.149 -2.880 -4.428 12 H LYS 6 H LYS 6 -12.175 -5.601 -4.459 13 HA LYS 6 HA LYS 6 -14.728 -3.981 -4.166 14 HA LYS 6 HA LYS 6 -14.435 -5.131 -2.787 15 HB2 LYS 6 HB2 LYS 6 -14.144 -5.927 -2.718 16 HB2 LYS 6 HB2 LYS 6 -13.252 -6.631 -1.189 17 HB3 LYS 6 HB3 LYS 6 -13.691 -6.133 -4.406 18 HB3 LYS 6 HB3 LYS 6 -13.423 -7.315 -2.802 19 HG2 LYS 6 HG2 LYS 6 -11.396 -5.143 -3.499 20 HG2 LYS 6 HG2 LYS 6 -10.974 -5.991 -2.844 21 HG3 LYS 6 HG3 LYS 6 -11.990 -5.864 -2.000 22 HG3 LYS 6 HG3 LYS 6 -11.042 -6.787 -1.269 23 HD2 LYS 6 HD2 LYS 6 -10.657 -7.502 -3.117 24 HD2 LYS 6 HD2 LYS 6 -10.220 -8.525 -2.479 25 HD3 LYS 6 HD3 LYS 6 -12.346 -7.995 -3.266 26 HD3 LYS 6 HD3 LYS 6 -11.937 -8.793 -2.791 27 HE2 LYS 6 HE2 LYS 6 -11.995 -8.155 -5.458 28 HE2 LYS 6 HE2 LYS 6 -11.762 -8.212 -4.961 29 HE3 LYS 6 HE3 LYS 6 -11.896 -6.395 -5.489 30 HE3 LYS 6 HE3 LYS 6 -10.613 -6.916 -4.627 31 HZ1 LYS 6 HZ1 LYS 6 -9.700 -6.451 -5.808 32 HZ1 LYS 6 HZ1 LYS 6 -9.969 -9.198 -5.846 33 HZ2 LYS 6 HZ2 LYS 6 -9.936 -8.057 -6.282 34 HZ2 LYS 6 HZ2 LYS 6 -9.600 -9.606 -4.246 35 HZ3 LYS 6 HZ3 LYS 6 -9.451 -7.706 -4.700 36 HZ3 LYS 6 HZ3 LYS 6 -8.866 -8.263 -4.966 37 H LEU 7 H LEU 7 -14.416 -1.697 -3.308 38 H LEU 7 H LEU 7 -14.700 -3.372 -1.592 39 HA LEU 7 HA LEU 7 -13.690 -1.819 -0.455 40 HA LEU 7 HA LEU 7 -12.869 -2.573 0.393 41 HB2 LEU 7 HB2 LEU 7 -13.233 0.276 -2.522 42 HB2 LEU 7 HB2 LEU 7 -12.028 -0.532 -0.417 43 HB3 LEU 7 HB3 LEU 7 -13.500 0.776 -0.854 44 HB3 LEU 7 HB3 LEU 7 -11.724 -1.723 -1.681 45 HG LEU 7 HG LEU 7 -11.537 -0.353 -0.117 46 HG LEU 7 HG LEU 7 -14.221 -0.480 -2.229 47 HD11 LEU 7 HD11 LEU 7 -10.115 -1.463 -2.018 48 HD11 LEU 7 HD11 LEU 7 -13.239 1.312 -0.725 49 HD12 LEU 7 HD12 LEU 7 -11.689 -1.673 -2.782 50 HD12 LEU 7 HD12 LEU 7 -13.721 1.814 -2.343 51 HD13 LEU 7 HD13 LEU 7 -11.381 -2.370 -1.192 52 HD13 LEU 7 HD13 LEU 7 -12.017 1.548 -1.976 53 HD21 LEU 7 HD21 LEU 7 -10.644 1.589 -0.810 54 HD21 LEU 7 HD21 LEU 7 -13.090 0.163 -4.288 55 HD22 LEU 7 HD22 LEU 7 -11.388 1.485 -2.406 56 HD22 LEU 7 HD22 LEU 7 -12.705 -1.504 -3.856 57 HD23 LEU 7 HD23 LEU 7 -9.907 0.589 -2.063 58 HD23 LEU 7 HD23 LEU 7 -11.528 -0.221 -3.565 59 HA PRO 8 HA PRO 8 -17.764 -0.589 0.613 60 HA PRO 8 HA PRO 8 -16.483 -0.652 1.973 61 HB2 PRO 8 HB2 PRO 8 -17.318 1.028 2.749 62 HB2 PRO 8 HB2 PRO 8 -15.431 1.337 3.492 63 HB3 PRO 8 HB3 PRO 8 -17.115 -0.727 2.813 64 HB3 PRO 8 HB3 PRO 8 -15.338 -0.369 3.945 65 HG2 PRO 8 HG2 PRO 8 -15.046 1.409 2.474 66 HG2 PRO 8 HG2 PRO 8 -13.268 1.361 2.647 67 HG3 PRO 8 HG3 PRO 8 -14.995 -0.048 3.483 68 HG3 PRO 8 HG3 PRO 8 -13.077 0.175 3.951 69 HD2 PRO 8 HD2 PRO 8 -13.751 0.104 1.084 70 HD2 PRO 8 HD2 PRO 8 -12.436 -0.374 1.379 71 HD3 PRO 8 HD3 PRO 8 -14.433 -1.410 1.712 72 HD3 PRO 8 HD3 PRO 8 -13.050 -1.610 2.495 73 HA PRO 9 HA PRO 9 -18.934 3.340 -0.983 74 HA PRO 9 HA PRO 9 -17.670 2.813 -0.463 75 HB2 PRO 9 HB2 PRO 9 -20.856 4.196 0.734 76 HB2 PRO 9 HB2 PRO 9 -19.507 3.994 1.149 77 HB3 PRO 9 HB3 PRO 9 -21.106 2.863 -0.401 78 HB3 PRO 9 HB3 PRO 9 -19.809 2.472 0.302 79 HG2 PRO 9 HG2 PRO 9 -20.440 2.768 2.517 80 HG2 PRO 9 HG2 PRO 9 -19.004 2.928 3.149 81 HG3 PRO 9 HG3 PRO 9 -21.603 1.790 1.601 82 HG3 PRO 9 HG3 PRO 9 -20.207 1.802 2.493 83 HD2 PRO 9 HD2 PRO 9 -19.148 0.876 2.286 84 HD2 PRO 9 HD2 PRO 9 -17.721 1.018 3.220 85 HD3 PRO 9 HD3 PRO 9 -19.970 0.381 0.792 86 HD3 PRO 9 HD3 PRO 9 -18.611 0.253 1.888 87 H GLY 10 H GLY 10 -17.674 5.091 -0.969 88 H GLY 10 H GLY 10 -17.213 4.965 -0.793 89 HA2 GLY 10 HA2 GLY 10 -17.373 7.288 0.101 90 HA2 GLY 10 HA2 GLY 10 -16.635 7.162 -0.174 91 HA3 GLY 10 HA3 GLY 10 -17.190 6.430 1.622 92 HA3 GLY 10 HA3 GLY 10 -16.315 6.594 1.458 93 H TRP 11 H TRP 11 -15.597 4.350 0.015 94 H TRP 11 H TRP 11 -14.592 4.439 0.773 95 HA TRP 11 HA TRP 11 -13.048 5.786 0.229 96 HA TRP 11 HA TRP 11 -12.152 5.916 0.431 97 HB2 TRP 11 HB2 TRP 11 -13.846 2.914 0.526 98 HB2 TRP 11 HB2 TRP 11 -12.606 2.935 0.679 99 HB3 TRP 11 HB3 TRP 11 -12.186 3.307 0.089 100 HB3 TRP 11 HB3 TRP 11 -11.049 3.747 0.787 101 HD1 TRP 11 HD1 TRP 11 -14.622 3.424 3.004 102 HD1 TRP 11 HD1 TRP 11 -14.351 3.376 2.731 103 HE1 TRP 11 HE1 TRP 11 -13.338 4.047 5.146 104 HE1 TRP 11 HE1 TRP 11 -13.905 3.953 5.199 105 HE3 TRP 11 HE3 TRP 11 -10.119 4.655 0.921 106 HE3 TRP 11 HE3 TRP 11 -9.510 4.971 2.329 107 HZ2 TRP 11 HZ2 TRP 11 -10.759 4.945 5.857 108 HZ2 TRP 11 HZ2 TRP 11 -11.780 4.952 6.768 109 HZ3 TRP 11 HZ3 TRP 11 -8.295 5.388 2.402 110 HZ3 TRP 11 HZ3 TRP 11 -8.344 5.722 4.361 111 HH2 TRP 11 HH2 TRP 11 -8.611 5.528 4.818 112 HH2 TRP 11 HH2 TRP 11 -9.458 5.712 6.533 113 H GLU 12 H GLU 12 -11.381 5.401 -1.352 114 H GLU 12 H GLU 12 -10.699 5.824 -1.253 115 HA GLU 12 HA GLU 12 -12.365 4.480 -3.963 116 HA GLU 12 HA GLU 12 -11.679 4.543 -3.719 117 HB2 GLU 12 HB2 GLU 12 -12.433 6.977 -3.817 118 HB2 GLU 12 HB2 GLU 12 -9.907 6.980 -3.634 119 HB3 GLU 12 HB3 GLU 12 -10.695 6.965 -3.558 120 HB3 GLU 12 HB3 GLU 12 -10.808 6.339 -5.004 121 HG2 GLU 12 HG2 GLU 12 -10.416 5.860 -5.749 122 HG2 GLU 12 HG2 GLU 12 -12.834 6.820 -3.315 123 HG3 GLU 12 HG3 GLU 12 -12.154 6.005 -6.009 124 HG3 GLU 12 HG3 GLU 12 -11.699 8.058 -2.783 125 H LYS 13 H LYS 13 -11.112 2.913 -4.702 126 H LYS 13 H LYS 13 -10.237 3.433 -4.992 127 HA LYS 13 HA LYS 13 -8.501 2.439 -3.573 128 HA LYS 13 HA LYS 13 -7.691 2.768 -3.703 129 HB2 LYS 13 HB2 LYS 13 -9.993 0.563 -4.057 130 HB2 LYS 13 HB2 LYS 13 -8.956 0.820 -4.151 131 HB3 LYS 13 HB3 LYS 13 -10.008 0.994 -5.762 132 HB3 LYS 13 HB3 LYS 13 -9.383 1.373 -5.765 133 HG2 LYS 13 HG2 LYS 13 -7.336 0.569 -4.633 134 HG2 LYS 13 HG2 LYS 13 -6.509 1.094 -5.342 135 HG3 LYS 13 HG3 LYS 13 -8.375 -0.859 -4.644 136 HG3 LYS 13 HG3 LYS 13 -7.409 -0.415 -5.169 137 HD2 LYS 13 HD2 LYS 13 -8.861 -0.125 -7.106 138 HD2 LYS 13 HD2 LYS 13 -8.536 0.646 -7.413 139 HD3 LYS 13 HD3 LYS 13 -7.344 0.763 -6.936 140 HD3 LYS 13 HD3 LYS 13 -6.868 1.202 -7.558 141 HE2 LYS 13 HE2 LYS 13 -6.511 -1.563 -5.990 142 HE2 LYS 13 HE2 LYS 13 -6.047 -0.900 -7.826 143 HE3 LYS 13 HE3 LYS 13 -7.847 -2.171 -6.969 144 HE3 LYS 13 HE3 LYS 13 -7.278 -1.629 -6.797 145 HZ1 LYS 13 HZ1 LYS 13 -5.485 -0.629 -7.878 146 HZ1 LYS 13 HZ1 LYS 13 -8.880 -1.180 -8.651 147 HZ2 LYS 13 HZ2 LYS 13 -6.854 -0.860 -8.847 148 HZ2 LYS 13 HZ2 LYS 13 -7.702 -2.348 -8.988 149 HZ3 LYS 13 HZ3 LYS 13 -5.946 -2.193 -8.335 150 HZ3 LYS 13 HZ3 LYS 13 -7.554 -0.786 -9.625 151 H ARG 14 H ARG 14 -6.895 3.727 -4.238 152 H ARG 14 H ARG 14 -5.928 3.764 -4.402 153 HA ARG 14 HA ARG 14 -6.654 4.277 -7.121 154 HA ARG 14 HA ARG 14 -5.730 4.428 -7.265 155 HB2 ARG 14 HB2 ARG 14 -5.506 5.813 -4.783 156 HB2 ARG 14 HB2 ARG 14 -4.379 6.100 -5.175 157 HB3 ARG 14 HB3 ARG 14 -5.279 6.216 -6.478 158 HB3 ARG 14 HB3 ARG 14 -4.824 6.527 -6.823 159 HG2 ARG 14 HG2 ARG 14 -8.051 6.009 -6.087 160 HG2 ARG 14 HG2 ARG 14 -7.247 5.988 -5.619 161 HG3 ARG 14 HG3 ARG 14 -7.416 6.927 -4.719 162 HG3 ARG 14 HG3 ARG 14 -6.324 6.807 -4.359 163 HD2 ARG 14 HD2 ARG 14 -6.218 8.388 -6.335 164 HD2 ARG 14 HD2 ARG 14 -7.601 8.388 -5.728 165 HD3 ARG 14 HD3 ARG 14 -7.014 7.522 -7.648 166 HD3 ARG 14 HD3 ARG 14 -5.863 8.654 -5.867 167 HE ARG 14 HE ARG 14 -8.812 8.641 -5.689 168 HE ARG 14 HE ARG 14 -6.356 7.059 -7.965 169 HH11 ARG 14 HH11 ARG 14 -7.081 9.174 -8.663 170 HH11 ARG 14 HH11 ARG 14 -7.922 9.949 -6.819 171 HH12 ARG 14 HH12 ARG 14 -8.148 10.424 -9.213 172 HH12 ARG 14 HH12 ARG 14 -8.419 10.462 -8.398 173 HH21 ARG 14 HH21 ARG 14 -10.223 10.285 -6.402 174 HH21 ARG 14 HH21 ARG 14 -7.003 7.725 -10.049 175 HH22 ARG 14 HH22 ARG 14 -9.935 11.055 -7.926 176 HH22 ARG 14 HH22 ARG 14 -7.894 9.197 -10.235 177 H MET 15 H MET 15 -4.331 4.585 -7.843 178 H MET 15 H MET 15 -3.711 4.195 -8.227 179 HA MET 15 HA MET 15 -2.557 2.665 -6.488 180 HA MET 15 HA MET 15 -1.667 2.860 -6.579 181 HB2 MET 15 HB2 MET 15 -3.764 2.009 -8.769 182 HB2 MET 15 HB2 MET 15 -3.081 1.554 -8.443 183 HB3 MET 15 HB3 MET 15 -2.420 2.916 -9.453 184 HB3 MET 15 HB3 MET 15 -1.824 2.224 -9.477 185 HG2 MET 15 HG2 MET 15 -1.533 1.058 -7.425 186 HG2 MET 15 HG2 MET 15 -0.262 0.833 -8.692 187 HG3 MET 15 HG3 MET 15 -2.429 0.250 -8.709 188 HG3 MET 15 HG3 MET 15 -0.828 0.975 -7.030 189 HE1 MET 15 HE1 MET 15 -1.045 -1.084 -9.559 190 HE1 MET 15 HE1 MET 15 -0.734 -2.304 -9.620 191 HE2 MET 15 HE2 MET 15 -0.224 -0.605 -11.043 192 HE2 MET 15 HE2 MET 15 -2.086 -1.519 -10.439 193 HE3 MET 15 HE3 MET 15 0.709 -0.894 -9.576 194 HE3 MET 15 HE3 MET 15 -0.590 -0.629 -10.152 195 H SER 16 H SER 16 -0.347 3.102 -6.572 196 H SER 16 H SER 16 0.204 3.906 -6.522 197 HA SER 16 HA SER 16 0.331 5.821 -7.487 198 HA SER 16 HA SER 16 0.706 6.261 -7.962 199 HB2 SER 16 HB2 SER 16 0.888 4.376 -4.987 200 HB2 SER 16 HB2 SER 16 2.261 4.509 -6.136 201 HB3 SER 16 HB3 SER 16 2.298 5.175 -5.683 202 HB3 SER 16 HB3 SER 16 3.189 5.593 -7.172 203 HG SER 16 HG SER 16 1.402 7.087 -5.360 204 HG SER 16 HG SER 16 0.989 6.585 -5.734 205 H ARG 17 H ARG 17 1.556 5.825 -9.243 206 H ARG 17 H ARG 17 2.469 6.678 -9.468 207 HA ARG 17 HA ARG 17 2.936 3.523 -10.181 208 HA ARG 17 HA ARG 17 2.743 4.478 -11.396 209 HB2 ARG 17 HB2 ARG 17 3.562 4.836 -12.048 210 HB2 ARG 17 HB2 ARG 17 3.127 7.444 -11.835 211 HB3 ARG 17 HB3 ARG 17 1.957 5.392 -11.592 212 HB3 ARG 17 HB3 ARG 17 3.166 6.196 -13.073 213 HG2 ARG 17 HG2 ARG 17 3.699 7.012 -10.152 214 HG2 ARG 17 HG2 ARG 17 0.913 5.988 -13.138 215 HG3 ARG 17 HG3 ARG 17 4.434 6.852 -11.749 216 HG3 ARG 17 HG3 ARG 17 0.717 6.372 -11.426 217 HD2 ARG 17 HD2 ARG 17 2.897 8.774 -11.597 218 HD2 ARG 17 HD2 ARG 17 1.353 8.333 -13.629 219 HD3 ARG 17 HD3 ARG 17 2.396 7.595 -12.807 220 HD3 ARG 17 HD3 ARG 17 -0.209 8.133 -12.837 221 HE ARG 17 HE ARG 17 0.509 7.168 -11.571 222 HE ARG 17 HE ARG 17 2.075 9.547 -11.829 223 HH11 ARG 17 HH11 ARG 17 2.768 8.992 -9.651 224 HH11 ARG 17 HH11 ARG 17 -0.835 7.844 -10.967 225 HH12 ARG 17 HH12 ARG 17 1.642 9.286 -8.369 226 HH12 ARG 17 HH12 ARG 17 -1.012 8.649 -9.444 227 HH21 ARG 17 HH21 ARG 17 -0.984 7.547 -9.889 228 HH21 ARG 17 HH21 ARG 17 1.855 10.616 -9.825 229 HH22 ARG 17 HH22 ARG 17 -0.491 8.461 -8.503 230 HH22 ARG 17 HH22 ARG 17 0.517 10.226 -8.795 231 H ASN 18 H ASN 18 5.319 3.829 -10.935 232 H ASN 18 H ASN 18 4.406 4.512 -9.118 233 HA ASN 18 HA ASN 18 7.523 4.039 -10.403 234 HA ASN 18 HA ASN 18 6.995 4.609 -10.429 235 HB2 ASN 18 HB2 ASN 18 6.312 6.426 -9.348 236 HB2 ASN 18 HB2 ASN 18 6.142 6.564 -8.422 237 HB3 ASN 18 HB3 ASN 18 7.590 5.884 -8.266 238 HB3 ASN 18 HB3 ASN 18 7.640 5.743 -7.997 239 HD21 ASN 18 HD21 ASN 18 7.455 8.225 -10.003 240 HD21 ASN 18 HD21 ASN 18 6.680 8.482 -9.177 241 HD22 ASN 18 HD22 ASN 18 8.829 8.123 -11.046 242 HD22 ASN 18 HD22 ASN 18 7.874 8.795 -10.385 243 H SER 19 H SER 19 6.128 4.804 -7.226 244 H SER 19 H SER 19 5.159 3.937 -7.481 245 HA SER 19 HA SER 19 7.812 3.137 -5.771 246 HA SER 19 HA SER 19 6.999 1.704 -6.923 247 HB2 SER 19 HB2 SER 19 5.544 4.804 -5.234 248 HB2 SER 19 HB2 SER 19 6.351 1.881 -4.579 249 HB3 SER 19 HB3 SER 19 5.338 3.274 -4.385 250 HB3 SER 19 HB3 SER 19 6.930 3.444 -5.155 251 HG SER 19 HG SER 19 7.561 5.031 -4.235 252 HG SER 19 HG SER 19 4.791 4.125 -5.334 253 H GLY 20 H GLY 20 4.784 2.447 -7.394 254 H GLY 20 H GLY 20 3.801 2.591 -7.740 255 HA2 GLY 20 HA2 GLY 20 3.796 0.442 -7.931 256 HA2 GLY 20 HA2 GLY 20 1.912 1.351 -8.144 257 HA3 GLY 20 HA3 GLY 20 5.290 -0.344 -7.436 258 HA3 GLY 20 HA3 GLY 20 2.973 -0.048 -8.218 259 H ARG 21 H ARG 21 2.710 1.491 -5.784 260 H ARG 21 H ARG 21 2.886 1.852 -5.325 261 HA ARG 21 HA ARG 21 2.218 -0.830 -4.076 262 HA ARG 21 HA ARG 21 1.928 -0.422 -3.832 263 HB2 ARG 21 HB2 ARG 21 3.800 1.255 -3.193 264 HB2 ARG 21 HB2 ARG 21 3.092 2.240 -3.171 265 HB3 ARG 21 HB3 ARG 21 2.211 1.676 -2.567 266 HB3 ARG 21 HB3 ARG 21 2.123 1.438 -1.941 267 HG2 ARG 21 HG2 ARG 21 2.405 0.185 -0.944 268 HG2 ARG 21 HG2 ARG 21 3.671 -0.163 -1.571 269 HG3 ARG 21 HG3 ARG 21 2.724 -1.104 -2.107 270 HG3 ARG 21 HG3 ARG 21 4.192 -0.204 -3.256 271 HD2 ARG 21 HD2 ARG 21 4.548 -0.848 -0.483 272 HD2 ARG 21 HD2 ARG 21 5.992 0.665 -1.947 273 HD3 ARG 21 HD3 ARG 21 5.079 -0.532 -2.134 274 HD3 ARG 21 HD3 ARG 21 5.311 1.994 -2.887 275 HE ARG 21 HE ARG 21 4.664 1.490 -0.042 276 HE ARG 21 HE ARG 21 5.062 1.599 0.005 277 HH11 ARG 21 HH11 ARG 21 5.898 0.552 -3.161 278 HH11 ARG 21 HH11 ARG 21 4.464 3.522 -2.836 279 HH12 ARG 21 HH12 ARG 21 6.816 2.006 -3.378 280 HH12 ARG 21 HH12 ARG 21 4.050 4.947 -1.943 281 HH21 ARG 21 HH21 ARG 21 5.869 3.407 -0.317 282 HH21 ARG 21 HH21 ARG 21 4.517 3.469 1.191 283 HH22 ARG 21 HH22 ARG 21 6.799 3.627 -1.760 284 HH22 ARG 21 HH22 ARG 21 4.080 4.917 0.348 285 H VAL 22 H VAL 22 0.277 -0.366 -2.602 286 H VAL 22 H VAL 22 -0.219 -0.594 -4.636 287 HA VAL 22 HA VAL 22 -1.741 1.093 -4.177 288 HA VAL 22 HA VAL 22 -2.154 1.364 -4.738 289 HB VAL 22 HB VAL 22 -2.135 -1.257 -2.319 290 HB VAL 22 HB VAL 22 -2.313 -1.112 -5.423 291 HG11 VAL 22 HG11 VAL 22 -4.130 0.224 -4.028 292 HG11 VAL 22 HG11 VAL 22 -1.840 -1.978 -3.141 293 HG12 VAL 22 HG12 VAL 22 -4.457 -1.228 -3.081 294 HG12 VAL 22 HG12 VAL 22 -3.410 -1.359 -2.626 295 HG13 VAL 22 HG13 VAL 22 -4.032 0.281 -2.270 296 HG13 VAL 22 HG13 VAL 22 -3.319 -2.623 -3.853 297 HG21 VAL 22 HG21 VAL 22 -2.305 -2.628 -4.150 298 HG21 VAL 22 HG21 VAL 22 -4.755 -1.069 -5.280 299 HG22 VAL 22 HG22 VAL 22 -2.758 -1.312 -5.231 300 HG22 VAL 22 HG22 VAL 22 -4.666 0.224 -4.086 301 HG23 VAL 22 HG23 VAL 22 -1.082 -1.490 -4.717 302 HG23 VAL 22 HG23 VAL 22 -4.114 0.509 -5.736 303 H TYR 23 H TYR 23 -3.045 2.566 -3.200 304 H TYR 23 H TYR 23 -3.588 2.275 -3.319 305 HA TYR 23 HA TYR 23 -2.930 2.865 -0.295 306 HA TYR 23 HA TYR 23 -3.572 1.451 -0.526 307 HB2 TYR 23 HB2 TYR 23 -2.355 5.188 -0.372 308 HB2 TYR 23 HB2 TYR 23 -3.126 3.735 0.279 309 HB3 TYR 23 HB3 TYR 23 -1.159 4.324 -1.331 310 HB3 TYR 23 HB3 TYR 23 -1.762 3.089 -0.628 311 HD1 TYR 23 HD1 TYR 23 -3.905 6.724 -1.400 312 HD1 TYR 23 HD1 TYR 23 -1.338 3.892 -2.950 313 HD2 TYR 23 HD2 TYR 23 -1.132 4.537 -3.770 314 HD2 TYR 23 HD2 TYR 23 -4.270 5.690 -0.445 315 HE1 TYR 23 HE1 TYR 23 -4.378 8.205 -3.306 316 HE1 TYR 23 HE1 TYR 23 -1.364 5.870 -4.411 317 HE2 TYR 23 HE2 TYR 23 -1.595 6.011 -5.684 318 HE2 TYR 23 HE2 TYR 23 -4.304 7.673 -1.900 319 HH TYR 23 HH TYR 23 -2.751 8.821 -5.603 320 HH TYR 23 HH TYR 23 -3.641 7.983 -4.604 321 H TYR 24 H TYR 24 -4.745 3.783 0.613 322 H TYR 24 H TYR 24 -5.122 3.006 0.735 323 HA TYR 24 HA TYR 24 -6.990 4.219 -1.241 324 HA TYR 24 HA TYR 24 -7.464 3.528 -0.978 325 HB2 TYR 24 HB2 TYR 24 -7.123 3.463 1.683 326 HB2 TYR 24 HB2 TYR 24 -7.401 2.418 1.834 327 HB3 TYR 24 HB3 TYR 24 -8.469 3.536 0.551 328 HB3 TYR 24 HB3 TYR 24 -8.866 2.896 0.986 329 HD1 TYR 24 HD1 TYR 24 -6.403 1.347 2.217 330 HD1 TYR 24 HD1 TYR 24 -9.821 1.505 -0.721 331 HD2 TYR 24 HD2 TYR 24 -7.949 2.052 -1.684 332 HD2 TYR 24 HD2 TYR 24 -6.122 0.445 1.096 333 HE1 TYR 24 HE1 TYR 24 -6.051 -1.021 1.657 334 HE1 TYR 24 HE1 TYR 24 -9.984 -0.741 -1.713 335 HE2 TYR 24 HE2 TYR 24 -7.603 -0.316 -2.255 336 HE2 TYR 24 HE2 TYR 24 -6.274 -1.803 0.109 337 HH TYR 24 HH TYR 24 -6.047 -2.200 -1.425 338 HH TYR 24 HH TYR 24 -8.507 -2.592 -2.330 339 H PHE 25 H PHE 25 -8.393 5.956 -0.923 340 H PHE 25 H PHE 25 -8.093 5.572 -0.997 341 HA PHE 25 HA PHE 25 -7.627 7.952 1.078 342 HA PHE 25 HA PHE 25 -7.492 7.254 1.348 343 HB2 PHE 25 HB2 PHE 25 -6.726 8.270 -1.425 344 HB2 PHE 25 HB2 PHE 25 -6.048 7.951 -0.443 345 HB3 PHE 25 HB3 PHE 25 -8.322 8.984 -1.620 346 HB3 PHE 25 HB3 PHE 25 -7.389 7.977 -1.584 347 HD1 PHE 25 HD1 PHE 25 -8.972 10.933 -0.219 348 HD1 PHE 25 HD1 PHE 25 -8.561 9.940 -1.961 349 HD2 PHE 25 HD2 PHE 25 -5.001 9.402 -0.284 350 HD2 PHE 25 HD2 PHE 25 -6.164 9.578 1.538 351 HE1 PHE 25 HE1 PHE 25 -8.148 13.039 0.751 352 HE1 PHE 25 HE1 PHE 25 -8.945 12.317 -1.455 353 HE2 PHE 25 HE2 PHE 25 -4.170 11.506 0.686 354 HE2 PHE 25 HE2 PHE 25 -6.545 11.954 2.049 355 HZ PHE 25 HZ PHE 25 -5.745 13.326 1.207 356 HZ PHE 25 HZ PHE 25 -7.937 13.327 0.552 357 H ASN 26 H ASN 26 -9.372 8.395 2.233 358 H ASN 26 H ASN 26 -9.155 8.316 2.234 359 HA ASN 26 HA ASN 26 -12.021 7.963 1.099 360 HA ASN 26 HA ASN 26 -11.689 8.404 0.732 361 HB2 ASN 26 HB2 ASN 26 -11.341 7.123 3.395 362 HB2 ASN 26 HB2 ASN 26 -11.894 6.800 2.530 363 HB3 ASN 26 HB3 ASN 26 -11.352 8.803 3.921 364 HB3 ASN 26 HB3 ASN 26 -11.251 7.957 3.691 365 HD21 ASN 26 HD21 ASN 26 -12.963 6.897 5.082 366 HD21 ASN 26 HD21 ASN 26 -13.681 8.285 1.136 367 HD22 ASN 26 HD22 ASN 26 -14.614 7.239 4.705 368 HD22 ASN 26 HD22 ASN 26 -14.954 8.816 2.176 369 H HIS 27 H HIS 27 -13.327 9.541 0.433 370 H HIS 27 H HIS 27 -12.455 10.373 0.363 371 HA HIS 27 HA HIS 27 -12.405 12.278 0.540 372 HA HIS 27 HA HIS 27 -11.165 12.690 1.441 373 HB2 HIS 27 HB2 HIS 27 -15.089 11.587 -0.549 374 HB2 HIS 27 HB2 HIS 27 -13.029 13.894 0.170 375 HB3 HIS 27 HB3 HIS 27 -13.881 12.708 -1.168 376 HB3 HIS 27 HB3 HIS 27 -11.926 12.907 -0.785 377 HD1 HIS 27 HD1 HIS 27 -15.461 10.012 -2.431 378 HD1 HIS 27 HD1 HIS 27 -12.881 10.705 -1.792 379 HD2 HIS 27 HD2 HIS 27 -11.422 10.686 -1.729 380 HD2 HIS 27 HD2 HIS 27 -15.677 13.039 0.206 381 HE1 HIS 27 HE1 HIS 27 -14.241 8.435 -3.963 382 HE1 HIS 27 HE1 HIS 27 -15.124 9.780 -2.453 383 H ILE 28 H ILE 28 -14.110 10.355 2.609 384 H ILE 28 H ILE 28 -13.882 10.783 2.332 385 HA ILE 28 HA ILE 28 -15.851 12.515 3.561 386 HA ILE 28 HA ILE 28 -15.290 12.787 3.796 387 HB ILE 28 HB ILE 28 -15.784 9.646 4.497 388 HB ILE 28 HB ILE 28 -15.430 9.779 3.813 389 HG12 ILE 28 HG12 ILE 28 -17.306 10.995 2.289 390 HG12 ILE 28 HG12 ILE 28 -17.297 11.954 2.846 391 HG13 ILE 28 HG13 ILE 28 -16.467 9.447 2.270 392 HG13 ILE 28 HG13 ILE 28 -16.358 10.854 1.842 393 HG21 ILE 28 HG21 ILE 28 -16.741 11.467 5.992 394 HG21 ILE 28 HG21 ILE 28 -15.958 10.456 6.052 395 HG22 ILE 28 HG22 ILE 28 -18.017 11.634 4.786 396 HG22 ILE 28 HG22 ILE 28 -17.020 11.733 5.465 397 HG23 ILE 28 HG23 ILE 28 -17.796 10.100 5.626 398 HG23 ILE 28 HG23 ILE 28 -17.460 10.042 5.227 399 HD11 ILE 28 HD11 ILE 28 -18.807 9.031 2.212 400 HD11 ILE 28 HD11 ILE 28 -18.771 10.282 3.510 401 HD12 ILE 28 HD12 ILE 28 -18.218 8.570 3.809 402 HD12 ILE 28 HD12 ILE 28 -18.501 9.971 1.797 403 HD13 ILE 28 HD13 ILE 28 -19.087 10.089 3.592 404 HD13 ILE 28 HD13 ILE 28 -17.678 8.993 3.012 405 H THR 29 H THR 29 -13.340 10.278 4.677 406 H THR 29 H THR 29 -12.798 10.437 4.563 407 HA THR 29 HA THR 29 -13.094 11.812 7.165 408 HA THR 29 HA THR 29 -12.880 11.154 7.392 409 HB THR 29 HB THR 29 -11.646 9.964 7.944 410 HB THR 29 HB THR 29 -11.148 9.402 7.673 411 HG1 THR 29 HG1 THR 29 -11.463 8.109 6.635 412 HG1 THR 29 HG1 THR 29 -10.245 8.483 5.973 413 HG21 THR 29 HG21 THR 29 -14.432 9.438 6.994 414 HG21 THR 29 HG21 THR 29 -12.717 7.512 6.623 415 HG22 THR 29 HG22 THR 29 -13.826 9.627 8.639 416 HG22 THR 29 HG22 THR 29 -13.822 8.881 6.495 417 HG23 THR 29 HG23 THR 29 -13.508 8.139 7.747 418 HG23 THR 29 HG23 THR 29 -13.165 8.418 8.065 419 H ASN 30 H ASN 30 -11.489 11.158 4.172 420 H ASN 30 H ASN 30 -11.097 11.832 4.521 421 HA ASN 30 HA ASN 30 -9.644 12.080 3.207 422 HA ASN 30 HA ASN 30 -9.385 13.266 4.085 423 HB2 ASN 30 HB2 ASN 30 -10.574 14.100 4.703 424 HB2 ASN 30 HB2 ASN 30 -10.738 14.483 6.093 425 HB3 ASN 30 HB3 ASN 30 -9.037 13.842 5.523 426 HB3 ASN 30 HB3 ASN 30 -9.160 14.291 6.851 427 HD21 ASN 30 HD21 ASN 30 -7.364 13.185 3.514 428 HD21 ASN 30 HD21 ASN 30 -7.500 14.585 4.677 429 HD22 ASN 30 HD22 ASN 30 -7.217 14.497 2.399 430 HD22 ASN 30 HD22 ASN 30 -7.623 16.200 4.081 431 H ALA 31 H ALA 31 -9.548 9.833 5.143 432 H ALA 31 H ALA 31 -8.784 10.627 4.811 433 HA ALA 31 HA ALA 31 -6.926 10.091 6.371 434 HA ALA 31 HA ALA 31 -6.028 10.960 5.614 435 HB1 ALA 31 HB1 ALA 31 -8.496 8.970 7.728 436 HB1 ALA 31 HB1 ALA 31 -7.450 8.870 7.172 437 HB2 ALA 31 HB2 ALA 31 -9.007 7.922 6.404 438 HB2 ALA 31 HB2 ALA 31 -6.024 9.821 7.588 439 HB3 ALA 31 HB3 ALA 31 -7.408 7.721 7.121 440 HB3 ALA 31 HB3 ALA 31 -7.627 10.549 7.685 441 H SER 32 H SER 32 -5.188 8.640 5.937 442 H SER 32 H SER 32 -4.705 9.391 4.793 443 HA SER 32 HA SER 32 -5.307 7.314 3.314 444 HA SER 32 HA SER 32 -6.006 7.405 3.064 445 HB2 SER 32 HB2 SER 32 -3.515 8.436 2.482 446 HB2 SER 32 HB2 SER 32 -3.241 7.453 2.529 447 HB3 SER 32 HB3 SER 32 -3.993 9.665 3.653 448 HB3 SER 32 HB3 SER 32 -4.534 8.133 1.540 449 HG SER 32 HG SER 32 -1.696 8.487 3.534 450 HG SER 32 HG SER 32 -3.069 9.437 3.590 451 H GLN 33 H GLN 33 -4.529 5.299 3.289 452 H GLN 33 H GLN 33 -4.982 5.280 2.869 453 HA GLN 33 HA GLN 33 -2.441 4.412 5.033 454 HA GLN 33 HA GLN 33 -3.263 4.404 5.020 455 HB2 GLN 33 HB2 GLN 33 -3.634 2.888 6.393 456 HB2 GLN 33 HB2 GLN 33 -5.899 4.364 5.611 457 HB3 GLN 33 HB3 GLN 33 -4.515 4.407 6.495 458 HB3 GLN 33 HB3 GLN 33 -5.737 2.790 4.844 459 HG2 GLN 33 HG2 GLN 33 -6.162 3.598 4.923 460 HG2 GLN 33 HG2 GLN 33 -4.188 2.049 6.444 461 HG3 GLN 33 HG3 GLN 33 -5.257 2.099 4.711 462 HG3 GLN 33 HG3 GLN 33 -3.912 3.681 7.049 463 HE21 GLN 33 HE21 GLN 33 -7.997 2.890 5.819 464 HE21 GLN 33 HE21 GLN 33 -6.321 1.125 6.801 465 HE22 GLN 33 HE22 GLN 33 -8.097 2.017 7.308 466 HE22 GLN 33 HE22 GLN 33 -7.189 1.554 8.232 467 H PHE 34 H PHE 34 -1.948 2.084 4.708 468 H PHE 34 H PHE 34 -2.222 2.477 4.585 469 HA PHE 34 HA PHE 34 -2.735 1.248 1.995 470 HA PHE 34 HA PHE 34 -2.236 1.664 1.826 471 HB2 PHE 34 HB2 PHE 34 -0.243 0.231 3.292 472 HB2 PHE 34 HB2 PHE 34 -0.657 0.705 4.217 473 HB3 PHE 34 HB3 PHE 34 -0.591 0.491 1.584 474 HB3 PHE 34 HB3 PHE 34 -0.430 0.082 2.587 475 HD1 PHE 34 HD1 PHE 34 -1.202 3.137 1.149 476 HD1 PHE 34 HD1 PHE 34 -0.056 1.974 0.763 477 HD2 PHE 34 HD2 PHE 34 1.405 1.571 4.127 478 HD2 PHE 34 HD2 PHE 34 0.728 2.388 4.925 479 HE1 PHE 34 HE1 PHE 34 -0.015 5.289 1.235 480 HE1 PHE 34 HE1 PHE 34 1.518 3.803 0.280 481 HE2 PHE 34 HE2 PHE 34 2.597 3.721 4.219 482 HE2 PHE 34 HE2 PHE 34 2.302 4.219 4.449 483 HZ PHE 34 HZ PHE 34 1.888 5.584 2.771 484 HZ PHE 34 HZ PHE 34 2.699 4.928 2.126 485 H GLU 35 H GLU 35 -4.495 0.504 3.840 486 H GLU 35 H GLU 35 -3.261 0.299 4.905 487 HA GLU 35 HA GLU 35 -4.133 -2.379 3.946 488 HA GLU 35 HA GLU 35 -4.011 -2.224 3.701 489 HB2 GLU 35 HB2 GLU 35 -4.220 -0.619 6.333 490 HB2 GLU 35 HB2 GLU 35 -4.639 -1.241 6.485 491 HB3 GLU 35 HB3 GLU 35 -5.176 -2.092 6.406 492 HB3 GLU 35 HB3 GLU 35 -4.659 -2.902 5.912 493 HG2 GLU 35 HG2 GLU 35 -3.195 -2.806 7.290 494 HG2 GLU 35 HG2 GLU 35 -2.666 -2.854 7.022 495 HG3 GLU 35 HG3 GLU 35 -2.976 -3.227 5.594 496 HG3 GLU 35 HG3 GLU 35 -2.143 -2.448 5.388 497 H ARG 36 H ARG 36 -6.073 -3.540 4.053 498 H ARG 36 H ARG 36 -6.253 -3.082 4.120 499 HA ARG 36 HA ARG 36 -8.258 -2.509 2.736 500 HA ARG 36 HA ARG 36 -8.170 -1.119 3.159 501 HB2 ARG 36 HB2 ARG 36 -7.710 -4.947 3.235 502 HB2 ARG 36 HB2 ARG 36 -7.958 -3.365 2.094 503 HB3 ARG 36 HB3 ARG 36 -8.475 -4.699 4.798 504 HB3 ARG 36 HB3 ARG 36 -8.530 -4.088 3.590 505 HG2 ARG 36 HG2 ARG 36 -10.194 -5.587 3.557 506 HG2 ARG 36 HG2 ARG 36 -10.521 -2.353 3.163 507 HG3 ARG 36 HG3 ARG 36 -10.485 -3.855 3.390 508 HG3 ARG 36 HG3 ARG 36 -10.014 -2.635 1.496 509 HD2 ARG 36 HD2 ARG 36 -10.234 -3.965 1.183 510 HD2 ARG 36 HD2 ARG 36 -10.872 -4.701 3.516 511 HD3 ARG 36 HD3 ARG 36 -8.677 -4.774 1.352 512 HD3 ARG 36 HD3 ARG 36 -11.742 -4.208 2.064 513 HE ARG 36 HE ARG 36 -10.951 -6.495 1.748 514 HE ARG 36 HE ARG 36 -9.198 -5.148 1.336 515 HH11 ARG 36 HH11 ARG 36 -8.735 -5.139 -0.568 516 HH11 ARG 36 HH11 ARG 36 -12.227 -6.310 2.600 517 HH12 ARG 36 HH12 ARG 36 -8.967 -6.404 -1.727 518 HH12 ARG 36 HH12 ARG 36 -12.048 -7.896 1.922 519 HH21 ARG 36 HH21 ARG 36 -11.264 -8.168 0.230 520 HH21 ARG 36 HH21 ARG 36 -8.954 -7.230 0.440 521 HH22 ARG 36 HH22 ARG 36 -10.408 -8.127 -1.273 522 HH22 ARG 36 HH22 ARG 36 -10.187 -8.417 0.694 523 HA PRO 37 HA PRO 37 -9.812 0.168 5.997 524 HA PRO 37 HA PRO 37 -9.577 -0.589 7.388 525 HB2 PRO 37 HB2 PRO 37 -11.619 1.430 4.413 526 HB2 PRO 37 HB2 PRO 37 -11.280 1.444 6.815 527 HB3 PRO 37 HB3 PRO 37 -9.899 1.834 4.418 528 HB3 PRO 37 HB3 PRO 37 -9.534 1.671 6.979 529 HG2 PRO 37 HG2 PRO 37 -11.435 0.120 2.504 530 HG2 PRO 37 HG2 PRO 37 -11.181 1.385 4.495 531 HG3 PRO 37 HG3 PRO 37 -10.191 1.338 2.165 532 HG3 PRO 37 HG3 PRO 37 -9.851 2.508 4.833 533 HD2 PRO 37 HD2 PRO 37 -9.664 -1.317 2.181 534 HD2 PRO 37 HD2 PRO 37 -9.516 0.249 3.377 535 HD3 PRO 37 HD3 PRO 37 -8.464 -0.105 2.669 536 HD3 PRO 37 HD3 PRO 37 -8.235 0.919 4.406 537 H SER 38 H SER 38 -11.624 0.119 7.280 538 H SER 38 H SER 38 -11.390 -1.224 8.498 539 HA SER 38 HA SER 38 -13.721 -1.796 6.493 540 HA SER 38 HA SER 38 -13.240 -2.904 7.136 541 HB2 SER 38 HB2 SER 38 -12.250 -2.502 8.413 542 HB2 SER 38 HB2 SER 38 -14.303 -3.142 9.374 543 HB3 SER 38 HB3 SER 38 -12.877 -1.125 9.320 544 HB3 SER 38 HB3 SER 38 -12.563 -3.425 9.412 545 HG SER 38 HG SER 38 -14.607 -3.025 8.149 546 HG SER 38 HG SER 38 -13.249 -2.067 11.120 547 H GLY 39 H GLY 39 -15.802 -1.410 7.825 548 H GLY 39 H GLY 39 -14.009 -0.165 9.284 549 HA2 GLY 39 HA2 GLY 39 -16.410 1.471 7.636 550 HA2 GLY 39 HA2 GLY 39 -15.311 1.726 8.619 551 HA3 GLY 39 HA3 GLY 39 -17.579 0.177 7.414 552 HA3 GLY 39 HA3 GLY 39 -15.957 0.772 7.293 Start of MODEL 6 1 H1 SER 5 H SER 5 -10.190 -4.795 -4.864 2 H1 SER 5 H SER 5 -8.988 -4.935 -6.437 3 HA SER 5 HA SER 5 -10.912 -2.875 -6.918 4 HA SER 5 HA SER 5 -11.153 -3.760 -7.114 5 HB2 SER 5 HB2 SER 5 -11.449 -5.732 -7.610 6 HB2 SER 5 HB2 SER 5 -10.472 -6.383 -7.328 7 HB3 SER 5 HB3 SER 5 -11.250 -4.338 -8.673 8 HB3 SER 5 HB3 SER 5 -11.948 -6.509 -6.371 9 HG SER 5 HG SER 5 -9.472 -5.954 -8.553 10 HG SER 5 HG SER 5 -12.278 -6.532 -8.682 11 H LYS 6 H LYS 6 -11.800 -3.223 -4.268 12 H LYS 6 H LYS 6 -11.489 -5.958 -4.322 13 HA LYS 6 HA LYS 6 -14.601 -3.248 -4.660 14 HA LYS 6 HA LYS 6 -13.969 -4.797 -3.519 15 HB2 LYS 6 HB2 LYS 6 -15.028 -5.210 -3.076 16 HB2 LYS 6 HB2 LYS 6 -13.746 -6.242 -1.533 17 HB3 LYS 6 HB3 LYS 6 -14.557 -5.600 -4.726 18 HB3 LYS 6 HB3 LYS 6 -13.487 -7.128 -3.031 19 HG2 LYS 6 HG2 LYS 6 -12.230 -5.914 -3.939 20 HG2 LYS 6 HG2 LYS 6 -10.965 -6.562 -2.538 21 HG3 LYS 6 HG3 LYS 6 -12.792 -5.650 -2.287 22 HG3 LYS 6 HG3 LYS 6 -11.559 -6.421 -0.882 23 HD2 LYS 6 HD2 LYS 6 -13.972 -7.641 -2.232 24 HD2 LYS 6 HD2 LYS 6 -11.600 -8.634 -0.674 25 HD3 LYS 6 HD3 LYS 6 -14.105 -7.728 -3.990 26 HD3 LYS 6 HD3 LYS 6 -12.651 -8.776 -2.087 27 HE2 LYS 6 HE2 LYS 6 -11.876 -8.432 -4.229 28 HE2 LYS 6 HE2 LYS 6 -10.888 -9.940 -2.899 29 HE3 LYS 6 HE3 LYS 6 -11.460 -7.948 -2.586 30 HE3 LYS 6 HE3 LYS 6 -10.317 -8.327 -3.320 31 HZ1 LYS 6 HZ1 LYS 6 -13.424 -9.754 -2.194 32 HZ1 LYS 6 HZ1 LYS 6 -9.578 -9.856 -0.883 33 HZ2 LYS 6 HZ2 LYS 6 -11.770 -10.091 -2.108 34 HZ2 LYS 6 HZ2 LYS 6 -9.052 -8.290 -1.248 35 HZ3 LYS 6 HZ3 LYS 6 -12.624 -10.402 -3.535 36 HZ3 LYS 6 HZ3 LYS 6 -8.586 -9.588 -2.227 37 H LEU 7 H LEU 7 -14.508 -1.302 -3.570 38 H LEU 7 H LEU 7 -14.401 -3.283 -1.996 39 HA LEU 7 HA LEU 7 -13.846 -1.478 -0.704 40 HA LEU 7 HA LEU 7 -12.611 -2.440 0.013 41 HB2 LEU 7 HB2 LEU 7 -13.343 0.659 -2.721 42 HB2 LEU 7 HB2 LEU 7 -11.853 -0.352 -0.783 43 HB3 LEU 7 HB3 LEU 7 -13.610 1.114 -1.038 44 HB3 LEU 7 HB3 LEU 7 -11.480 -1.532 -2.037 45 HG LEU 7 HG LEU 7 -11.661 -0.042 -0.330 46 HG LEU 7 HG LEU 7 -13.998 -0.454 -2.684 47 HD11 LEU 7 HD11 LEU 7 -11.805 -1.309 -3.027 48 HD11 LEU 7 HD11 LEU 7 -12.082 1.813 -2.383 49 HD12 LEU 7 HD12 LEU 7 -11.572 -2.053 -1.446 50 HD12 LEU 7 HD12 LEU 7 -13.121 1.360 -1.034 51 HD13 LEU 7 HD13 LEU 7 -10.250 -1.169 -2.209 52 HD13 LEU 7 HD13 LEU 7 -13.834 1.839 -2.573 53 HD21 LEU 7 HD21 LEU 7 -10.726 1.887 -1.000 54 HD21 LEU 7 HD21 LEU 7 -11.252 0.053 -3.825 55 HD22 LEU 7 HD22 LEU 7 -11.485 1.824 -2.590 56 HD22 LEU 7 HD22 LEU 7 -12.777 0.417 -4.631 57 HD23 LEU 7 HD23 LEU 7 -10.020 0.895 -2.275 58 HD23 LEU 7 HD23 LEU 7 -12.347 -1.257 -4.270 59 HA PRO 8 HA PRO 8 -17.935 -0.232 0.292 60 HA PRO 8 HA PRO 8 -16.317 -0.686 1.580 61 HB2 PRO 8 HB2 PRO 8 -17.523 1.328 2.475 62 HB2 PRO 8 HB2 PRO 8 -15.346 1.289 3.171 63 HB3 PRO 8 HB3 PRO 8 -17.341 -0.429 2.503 64 HB3 PRO 8 HB3 PRO 8 -15.212 -0.427 3.580 65 HG2 PRO 8 HG2 PRO 8 -15.241 1.690 2.263 66 HG2 PRO 8 HG2 PRO 8 -13.172 1.396 2.366 67 HG3 PRO 8 HG3 PRO 8 -15.230 0.209 3.240 68 HG3 PRO 8 HG3 PRO 8 -12.971 0.179 3.641 69 HD2 PRO 8 HD2 PRO 8 -13.928 0.403 0.874 70 HD2 PRO 8 HD2 PRO 8 -12.272 -0.279 1.063 71 HD3 PRO 8 HD3 PRO 8 -14.641 -1.118 1.449 72 HD3 PRO 8 HD3 PRO 8 -12.869 -1.564 2.135 73 HA PRO 9 HA PRO 9 -19.016 3.742 -1.249 74 HA PRO 9 HA PRO 9 -17.549 2.802 -0.803 75 HB2 PRO 9 HB2 PRO 9 -20.992 4.567 0.419 76 HB2 PRO 9 HB2 PRO 9 -19.489 3.855 0.779 77 HB3 PRO 9 HB3 PRO 9 -21.210 3.267 -0.758 78 HB3 PRO 9 HB3 PRO 9 -19.699 2.352 -0.128 79 HG2 PRO 9 HG2 PRO 9 -20.650 3.090 2.178 80 HG2 PRO 9 HG2 PRO 9 -19.014 2.742 2.760 81 HG3 PRO 9 HG3 PRO 9 -21.785 2.145 1.196 82 HG3 PRO 9 HG3 PRO 9 -20.146 1.592 2.025 83 HD2 PRO 9 HD2 PRO 9 -19.362 1.193 1.943 84 HD2 PRO 9 HD2 PRO 9 -17.657 0.879 2.815 85 HD3 PRO 9 HD3 PRO 9 -20.132 0.746 0.408 86 HD3 PRO 9 HD3 PRO 9 -18.470 0.127 1.426 87 H GLY 10 H GLY 10 -17.628 5.398 -1.123 88 H GLY 10 H GLY 10 -17.157 4.976 -1.046 89 HA2 GLY 10 HA2 GLY 10 -17.411 7.599 0.029 90 HA2 GLY 10 HA2 GLY 10 -16.700 7.173 -0.328 91 HA3 GLY 10 HA3 GLY 10 -17.243 6.675 1.514 92 HA3 GLY 10 HA3 GLY 10 -16.405 6.558 1.291 93 H TRP 11 H TRP 11 -15.612 4.638 -0.002 94 H TRP 11 H TRP 11 -14.593 4.469 0.474 95 HA TRP 11 HA TRP 11 -13.073 6.064 0.265 96 HA TRP 11 HA TRP 11 -12.203 6.082 0.256 97 HB2 TRP 11 HB2 TRP 11 -13.898 3.193 0.396 98 HB2 TRP 11 HB2 TRP 11 -12.487 3.078 0.484 99 HB3 TRP 11 HB3 TRP 11 -12.233 3.578 -0.029 100 HB3 TRP 11 HB3 TRP 11 -11.002 4.002 0.692 101 HD1 TRP 11 HD1 TRP 11 -14.679 3.676 2.896 102 HD1 TRP 11 HD1 TRP 11 -14.370 3.351 2.435 103 HE1 TRP 11 HE1 TRP 11 -13.366 4.132 5.061 104 HE1 TRP 11 HE1 TRP 11 -14.114 3.933 4.929 105 HE3 TRP 11 HE3 TRP 11 -10.105 4.721 0.866 106 HE3 TRP 11 HE3 TRP 11 -9.660 5.334 2.327 107 HZ2 TRP 11 HZ2 TRP 11 -10.737 4.843 5.809 108 HZ2 TRP 11 HZ2 TRP 11 -12.173 5.081 6.626 109 HZ3 TRP 11 HZ3 TRP 11 -8.244 5.278 2.376 110 HZ3 TRP 11 HZ3 TRP 11 -8.676 6.151 4.430 111 HH2 TRP 11 HH2 TRP 11 -8.556 5.338 4.797 112 HH2 TRP 11 HH2 TRP 11 -9.908 6.027 6.534 113 H GLU 12 H GLU 12 -11.386 5.798 -1.308 114 H GLU 12 H GLU 12 -10.687 6.008 -1.386 115 HA GLU 12 HA GLU 12 -12.322 5.041 -3.989 116 HA GLU 12 HA GLU 12 -11.599 4.739 -3.883 117 HB2 GLU 12 HB2 GLU 12 -12.381 7.509 -3.725 118 HB2 GLU 12 HB2 GLU 12 -9.764 7.122 -3.739 119 HB3 GLU 12 HB3 GLU 12 -10.662 7.487 -3.360 120 HB3 GLU 12 HB3 GLU 12 -10.669 6.526 -5.123 121 HG2 GLU 12 HG2 GLU 12 -10.269 6.479 -5.602 122 HG2 GLU 12 HG2 GLU 12 -12.720 7.057 -3.531 123 HG3 GLU 12 HG3 GLU 12 -11.980 6.721 -5.952 124 HG3 GLU 12 HG3 GLU 12 -11.560 8.193 -2.844 125 H LYS 13 H LYS 13 -11.084 3.476 -4.760 126 H LYS 13 H LYS 13 -10.122 3.646 -5.154 127 HA LYS 13 HA LYS 13 -8.499 2.907 -3.627 128 HA LYS 13 HA LYS 13 -7.590 2.980 -3.813 129 HB2 LYS 13 HB2 LYS 13 -9.981 1.076 -4.251 130 HB2 LYS 13 HB2 LYS 13 -9.217 1.128 -4.243 131 HB3 LYS 13 HB3 LYS 13 -10.000 1.628 -5.921 132 HB3 LYS 13 HB3 LYS 13 -9.028 1.420 -5.967 133 HG2 LYS 13 HG2 LYS 13 -7.922 0.811 -6.366 134 HG2 LYS 13 HG2 LYS 13 -6.860 0.613 -5.999 135 HG3 LYS 13 HG3 LYS 13 -7.369 1.001 -4.699 136 HG3 LYS 13 HG3 LYS 13 -6.638 0.852 -4.263 137 HD2 LYS 13 HD2 LYS 13 -8.689 -0.917 -4.015 138 HD2 LYS 13 HD2 LYS 13 -7.180 -1.280 -3.945 139 HD3 LYS 13 HD3 LYS 13 -9.347 -1.076 -5.645 140 HD3 LYS 13 HD3 LYS 13 -8.798 -0.932 -4.557 141 HE2 LYS 13 HE2 LYS 13 -7.454 -2.017 -6.461 142 HE2 LYS 13 HE2 LYS 13 -6.568 -1.418 -6.481 143 HE3 LYS 13 HE3 LYS 13 -6.402 -1.067 -5.412 144 HE3 LYS 13 HE3 LYS 13 -7.321 -2.788 -5.668 145 HZ1 LYS 13 HZ1 LYS 13 -6.192 -2.869 -4.164 146 HZ1 LYS 13 HZ1 LYS 13 -8.348 -2.291 -7.818 147 HZ2 LYS 13 HZ2 LYS 13 -7.355 -3.710 -5.057 148 HZ2 LYS 13 HZ2 LYS 13 -8.779 -0.752 -7.263 149 HZ3 LYS 13 HZ3 LYS 13 -7.827 -2.747 -3.748 150 HZ3 LYS 13 HZ3 LYS 13 -9.450 -2.126 -6.545 151 H ARG 14 H ARG 14 -6.785 4.070 -4.196 152 H ARG 14 H ARG 14 -5.763 3.707 -4.671 153 HA ARG 14 HA ARG 14 -6.548 4.968 -6.990 154 HA ARG 14 HA ARG 14 -5.641 4.199 -7.563 155 HB2 ARG 14 HB2 ARG 14 -5.143 6.020 -4.526 156 HB2 ARG 14 HB2 ARG 14 -4.280 6.079 -5.666 157 HB3 ARG 14 HB3 ARG 14 -4.984 6.661 -6.156 158 HB3 ARG 14 HB3 ARG 14 -4.753 6.339 -7.340 159 HG2 ARG 14 HG2 ARG 14 -7.744 6.522 -5.213 160 HG2 ARG 14 HG2 ARG 14 -7.169 5.949 -6.166 161 HG3 ARG 14 HG3 ARG 14 -6.707 7.577 -4.251 162 HG3 ARG 14 HG3 ARG 14 -6.269 6.737 -4.868 163 HD2 ARG 14 HD2 ARG 14 -7.688 8.892 -5.987 164 HD2 ARG 14 HD2 ARG 14 -5.864 8.650 -6.156 165 HD3 ARG 14 HD3 ARG 14 -5.981 8.673 -6.369 166 HD3 ARG 14 HD3 ARG 14 -6.256 7.824 -7.664 167 HE ARG 14 HE ARG 14 -7.123 6.666 -7.735 168 HE ARG 14 HE ARG 14 -8.104 9.048 -5.817 169 HH11 ARG 14 HH11 ARG 14 -7.867 10.061 -7.519 170 HH11 ARG 14 HH11 ARG 14 -7.694 6.760 -8.409 171 HH12 ARG 14 HH12 ARG 14 -8.506 10.156 -9.127 172 HH12 ARG 14 HH12 ARG 14 -9.356 6.820 -8.899 173 HH21 ARG 14 HH21 ARG 14 -7.962 6.780 -9.853 174 HH21 ARG 14 HH21 ARG 14 -10.293 9.134 -6.450 175 HH22 ARG 14 HH22 ARG 14 -8.560 8.289 -10.453 176 HH22 ARG 14 HH22 ARG 14 -10.833 8.172 -7.784 177 H MET 15 H MET 15 -4.249 5.114 -7.788 178 H MET 15 H MET 15 -3.530 4.093 -8.475 179 HA MET 15 HA MET 15 -2.629 2.875 -6.777 180 HA MET 15 HA MET 15 -1.635 2.575 -6.810 181 HB2 MET 15 HB2 MET 15 -3.996 2.845 -9.172 182 HB2 MET 15 HB2 MET 15 -2.690 1.485 -8.875 183 HB3 MET 15 HB3 MET 15 -2.382 3.354 -9.653 184 HB3 MET 15 HB3 MET 15 -1.692 2.581 -9.822 185 HG2 MET 15 HG2 MET 15 -1.542 1.362 -8.301 186 HG2 MET 15 HG2 MET 15 0.073 1.269 -9.594 187 HG3 MET 15 HG3 MET 15 -3.217 0.815 -8.298 188 HG3 MET 15 HG3 MET 15 -0.098 1.257 -7.841 189 HE1 MET 15 HE1 MET 15 -1.149 -1.434 -10.368 190 HE1 MET 15 HE1 MET 15 -0.202 -2.331 -10.234 191 HE2 MET 15 HE2 MET 15 -0.037 -0.135 -10.805 192 HE2 MET 15 HE2 MET 15 -0.407 -0.809 -11.101 193 HE3 MET 15 HE3 MET 15 -0.555 -0.326 -9.130 194 HE3 MET 15 HE3 MET 15 0.932 -1.005 -9.968 195 H SER 16 H SER 16 -0.390 3.097 -6.947 196 H SER 16 H SER 16 -0.116 3.919 -6.070 197 HA SER 16 HA SER 16 0.521 5.849 -7.069 198 HA SER 16 HA SER 16 0.687 6.291 -7.423 199 HB2 SER 16 HB2 SER 16 1.268 3.594 -5.582 200 HB2 SER 16 HB2 SER 16 2.685 5.691 -5.566 201 HB3 SER 16 HB3 SER 16 2.630 3.904 -6.659 202 HB3 SER 16 HB3 SER 16 1.276 6.720 -5.300 203 HG SER 16 HG SER 16 1.688 5.377 -4.531 204 HG SER 16 HG SER 16 0.434 5.226 -4.084 205 H ARG 17 H ARG 17 2.678 6.265 -8.151 206 H ARG 17 H ARG 17 1.741 6.172 -9.301 207 HA ARG 17 HA ARG 17 2.919 4.773 -10.674 208 HA ARG 17 HA ARG 17 3.241 4.078 -10.286 209 HB2 ARG 17 HB2 ARG 17 1.651 6.930 -10.962 210 HB2 ARG 17 HB2 ARG 17 4.033 5.558 -11.961 211 HB3 ARG 17 HB3 ARG 17 3.111 7.779 -10.468 212 HB3 ARG 17 HB3 ARG 17 2.421 6.119 -11.535 213 HG2 ARG 17 HG2 ARG 17 4.237 6.471 -12.394 214 HG2 ARG 17 HG2 ARG 17 3.799 7.648 -9.868 215 HG3 ARG 17 HG3 ARG 17 2.584 6.226 -12.964 216 HG3 ARG 17 HG3 ARG 17 5.057 7.388 -11.076 217 HD2 ARG 17 HD2 ARG 17 4.062 8.815 -12.572 218 HD2 ARG 17 HD2 ARG 17 3.766 9.411 -11.544 219 HD3 ARG 17 HD3 ARG 17 3.369 8.165 -14.057 220 HD3 ARG 17 HD3 ARG 17 3.575 8.213 -12.820 221 HE ARG 17 HE ARG 17 1.206 8.448 -12.487 222 HE ARG 17 HE ARG 17 1.488 7.823 -11.044 223 HH11 ARG 17 HH11 ARG 17 3.813 10.606 -13.301 224 HH11 ARG 17 HH11 ARG 17 2.642 10.348 -13.143 225 HH12 ARG 17 HH12 ARG 17 2.848 12.037 -13.156 226 HH12 ARG 17 HH12 ARG 17 1.067 11.012 -13.425 227 HH21 ARG 17 HH21 ARG 17 -0.076 10.325 -12.293 228 HH21 ARG 17 HH21 ARG 17 -0.590 8.689 -11.407 229 HH22 ARG 17 HH22 ARG 17 0.636 11.875 -12.582 230 HH22 ARG 17 HH22 ARG 17 -0.771 10.068 -12.437 231 H ASN 18 H ASN 18 4.554 4.117 -8.686 232 H ASN 18 H ASN 18 5.657 4.267 -10.861 233 HA ASN 18 HA ASN 18 7.131 5.004 -9.658 234 HA ASN 18 HA ASN 18 7.822 4.181 -10.170 235 HB2 ASN 18 HB2 ASN 18 6.044 6.210 -7.353 236 HB2 ASN 18 HB2 ASN 18 6.908 6.740 -9.494 237 HB3 ASN 18 HB3 ASN 18 7.271 5.083 -6.782 238 HB3 ASN 18 HB3 ASN 18 7.740 6.162 -8.054 239 HD21 ASN 18 HD21 ASN 18 6.666 8.101 -8.168 240 HD21 ASN 18 HD21 ASN 18 9.567 7.318 -8.131 241 HD22 ASN 18 HD22 ASN 18 8.301 8.553 -8.493 242 HD22 ASN 18 HD22 ASN 18 10.707 7.271 -9.428 243 H SER 19 H SER 19 5.926 3.382 -6.718 244 H SER 19 H SER 19 5.597 2.767 -8.706 245 HA SER 19 HA SER 19 7.622 1.080 -7.409 246 HA SER 19 HA SER 19 7.157 1.420 -6.810 247 HB2 SER 19 HB2 SER 19 7.663 0.534 -5.054 248 HB2 SER 19 HB2 SER 19 6.085 2.149 -4.713 249 HB3 SER 19 HB3 SER 19 8.080 2.237 -5.237 250 HB3 SER 19 HB3 SER 19 6.954 3.476 -5.487 251 HG SER 19 HG SER 19 5.586 1.146 -4.442 252 HG SER 19 HG SER 19 5.143 4.515 -5.564 253 H GLY 20 H GLY 20 4.856 1.698 -8.377 254 H GLY 20 H GLY 20 3.938 2.394 -7.839 255 HA2 GLY 20 HA2 GLY 20 2.845 0.627 -8.696 256 HA2 GLY 20 HA2 GLY 20 2.025 1.178 -8.193 257 HA3 GLY 20 HA3 GLY 20 3.804 -0.836 -8.529 258 HA3 GLY 20 HA3 GLY 20 3.058 -0.242 -8.254 259 H ARG 21 H ARG 21 3.466 1.463 -5.922 260 H ARG 21 H ARG 21 2.537 1.969 -5.539 261 HA ARG 21 HA ARG 21 2.398 -0.582 -4.207 262 HA ARG 21 HA ARG 21 1.738 -0.335 -3.918 263 HB2 ARG 21 HB2 ARG 21 3.781 1.870 -3.873 264 HB2 ARG 21 HB2 ARG 21 3.158 2.173 -3.411 265 HB3 ARG 21 HB3 ARG 21 2.253 2.018 -3.014 266 HB3 ARG 21 HB3 ARG 21 1.938 1.807 -2.199 267 HG2 ARG 21 HG2 ARG 21 2.773 0.368 -1.514 268 HG2 ARG 21 HG2 ARG 21 3.145 0.152 -1.315 269 HG3 ARG 21 HG3 ARG 21 3.883 -0.440 -2.623 270 HG3 ARG 21 HG3 ARG 21 3.613 -0.477 -2.896 271 HD2 ARG 21 HD2 ARG 21 5.130 0.600 -0.833 272 HD2 ARG 21 HD2 ARG 21 5.605 0.242 -1.827 273 HD3 ARG 21 HD3 ARG 21 5.469 1.424 -2.355 274 HD3 ARG 21 HD3 ARG 21 5.229 1.443 -3.060 275 HE ARG 21 HE ARG 21 3.924 2.480 -0.106 276 HE ARG 21 HE ARG 21 4.967 1.790 -0.161 277 HH11 ARG 21 HH11 ARG 21 5.273 2.908 -3.287 278 HH11 ARG 21 HH11 ARG 21 4.834 3.104 -3.383 279 HH12 ARG 21 HH12 ARG 21 5.081 4.630 -3.278 280 HH12 ARG 21 HH12 ARG 21 4.819 4.752 -2.851 281 HH21 ARG 21 HH21 ARG 21 3.666 4.746 -0.082 282 HH21 ARG 21 HH21 ARG 21 4.951 3.956 0.552 283 HH22 ARG 21 HH22 ARG 21 4.167 5.676 -1.454 284 HH22 ARG 21 HH22 ARG 21 4.888 5.237 -0.613 285 H VAL 22 H VAL 22 0.462 -0.225 -2.863 286 H VAL 22 H VAL 22 -0.412 -0.636 -4.294 287 HA VAL 22 HA VAL 22 -1.647 1.195 -4.359 288 HA VAL 22 HA VAL 22 -2.321 1.409 -4.616 289 HB VAL 22 HB VAL 22 -3.221 -0.491 -3.844 290 HB VAL 22 HB VAL 22 -2.401 -1.513 -4.196 291 HG11 VAL 22 HG11 VAL 22 -1.165 -2.473 -4.338 292 HG11 VAL 22 HG11 VAL 22 -4.692 0.281 -3.427 293 HG12 VAL 22 HG12 VAL 22 -2.478 -1.923 -5.380 294 HG12 VAL 22 HG12 VAL 22 -4.897 -1.419 -3.856 295 HG13 VAL 22 HG13 VAL 22 -0.954 -1.038 -5.338 296 HG13 VAL 22 HG13 VAL 22 -3.922 -0.974 -2.456 297 HG21 VAL 22 HG21 VAL 22 -2.450 -2.519 -2.465 298 HG21 VAL 22 HG21 VAL 22 -2.480 -0.379 -6.408 299 HG22 VAL 22 HG22 VAL 22 -1.161 -1.461 -1.892 300 HG22 VAL 22 HG22 VAL 22 -3.857 -1.441 -6.106 301 HG23 VAL 22 HG23 VAL 22 -2.848 -1.032 -1.607 302 HG23 VAL 22 HG23 VAL 22 -4.039 0.308 -5.954 303 H TYR 23 H TYR 23 -3.069 2.440 -3.226 304 H TYR 23 H TYR 23 -3.682 2.426 -3.210 305 HA TYR 23 HA TYR 23 -3.028 2.389 -0.312 306 HA TYR 23 HA TYR 23 -3.690 1.692 -0.399 307 HB2 TYR 23 HB2 TYR 23 -2.559 4.751 -0.090 308 HB2 TYR 23 HB2 TYR 23 -3.056 3.916 0.375 309 HB3 TYR 23 HB3 TYR 23 -1.254 3.994 -0.997 310 HB3 TYR 23 HB3 TYR 23 -1.770 3.229 -0.612 311 HD1 TYR 23 HD1 TYR 23 -3.849 6.499 -1.030 312 HD1 TYR 23 HD1 TYR 23 -1.383 4.078 -2.904 313 HD2 TYR 23 HD2 TYR 23 -1.168 4.290 -3.488 314 HD2 TYR 23 HD2 TYR 23 -4.207 5.900 -0.294 315 HE1 TYR 23 HE1 TYR 23 -4.159 8.142 -2.836 316 HE1 TYR 23 HE1 TYR 23 -1.404 6.082 -4.333 317 HE2 TYR 23 HE2 TYR 23 -1.470 5.928 -5.300 318 HE2 TYR 23 HE2 TYR 23 -4.237 7.906 -1.717 319 HH TYR 23 HH TYR 23 -2.150 8.401 -5.451 320 HH TYR 23 HH TYR 23 -2.373 8.950 -3.463 321 H TYR 24 H TYR 24 -4.656 4.052 0.554 322 H TYR 24 H TYR 24 -5.390 2.691 0.804 323 HA TYR 24 HA TYR 24 -6.941 4.300 -1.282 324 HA TYR 24 HA TYR 24 -7.592 3.592 -0.918 325 HB2 TYR 24 HB2 TYR 24 -7.143 3.453 1.614 326 HB2 TYR 24 HB2 TYR 24 -7.703 2.477 1.891 327 HB3 TYR 24 HB3 TYR 24 -8.469 3.600 0.465 328 HB3 TYR 24 HB3 TYR 24 -9.086 2.868 0.876 329 HD1 TYR 24 HD1 TYR 24 -8.004 2.166 -1.794 330 HD1 TYR 24 HD1 TYR 24 -9.649 1.464 -1.055 331 HD2 TYR 24 HD2 TYR 24 -6.439 1.313 2.068 332 HD2 TYR 24 HD2 TYR 24 -6.436 0.459 1.546 333 HE1 TYR 24 HE1 TYR 24 -7.711 -0.188 -2.440 334 HE1 TYR 24 HE1 TYR 24 -9.624 -0.815 -1.978 335 HE2 TYR 24 HE2 TYR 24 -6.140 -1.044 1.434 336 HE2 TYR 24 HE2 TYR 24 -6.402 -1.825 0.629 337 HH TYR 24 HH TYR 24 -7.471 -2.348 -1.464 338 HH TYR 24 HH TYR 24 -8.282 -2.714 -2.158 339 H PHE 25 H PHE 25 -8.307 6.059 -0.936 340 H PHE 25 H PHE 25 -8.218 5.640 -0.842 341 HA PHE 25 HA PHE 25 -7.503 7.984 1.126 342 HA PHE 25 HA PHE 25 -7.654 7.202 1.587 343 HB2 PHE 25 HB2 PHE 25 -6.651 8.341 -1.405 344 HB2 PHE 25 HB2 PHE 25 -6.038 7.920 -0.028 345 HB3 PHE 25 HB3 PHE 25 -8.228 9.117 -1.517 346 HB3 PHE 25 HB3 PHE 25 -7.261 8.026 -1.292 347 HD1 PHE 25 HD1 PHE 25 -8.749 11.065 -0.097 348 HD1 PHE 25 HD1 PHE 25 -6.147 9.531 1.901 349 HD2 PHE 25 HD2 PHE 25 -4.860 9.339 -0.213 350 HD2 PHE 25 HD2 PHE 25 -8.469 10.002 -1.635 351 HE1 PHE 25 HE1 PHE 25 -7.817 13.104 0.919 352 HE1 PHE 25 HE1 PHE 25 -6.497 11.905 2.451 353 HE2 PHE 25 HE2 PHE 25 -3.922 11.374 0.803 354 HE2 PHE 25 HE2 PHE 25 -8.822 12.375 -1.092 355 HZ PHE 25 HZ PHE 25 -5.401 13.260 1.371 356 HZ PHE 25 HZ PHE 25 -7.833 13.329 0.952 357 H ASN 26 H ASN 26 -9.230 8.396 2.321 358 H ASN 26 H ASN 26 -9.309 8.369 2.368 359 HA ASN 26 HA ASN 26 -11.897 8.031 1.217 360 HA ASN 26 HA ASN 26 -11.722 8.610 0.693 361 HB2 ASN 26 HB2 ASN 26 -11.220 7.140 3.480 362 HB2 ASN 26 HB2 ASN 26 -12.180 6.998 2.412 363 HB3 ASN 26 HB3 ASN 26 -11.147 8.808 4.041 364 HB3 ASN 26 HB3 ASN 26 -11.499 8.046 3.652 365 HD21 ASN 26 HD21 ASN 26 -12.801 7.000 5.241 366 HD21 ASN 26 HD21 ASN 26 -13.775 8.658 1.007 367 HD22 ASN 26 HD22 ASN 26 -14.447 7.395 4.898 368 HD22 ASN 26 HD22 ASN 26 -15.043 9.268 2.011 369 H HIS 27 H HIS 27 -13.028 9.651 0.392 370 H HIS 27 H HIS 27 -12.849 10.530 0.748 371 HA HIS 27 HA HIS 27 -12.130 12.374 0.662 372 HA HIS 27 HA HIS 27 -11.347 12.834 1.621 373 HB2 HIS 27 HB2 HIS 27 -13.895 12.913 -0.918 374 HB2 HIS 27 HB2 HIS 27 -13.288 14.096 0.601 375 HB3 HIS 27 HB3 HIS 27 -13.016 11.492 -1.477 376 HB3 HIS 27 HB3 HIS 27 -12.414 13.037 -0.504 377 HD1 HIS 27 HD1 HIS 27 -16.226 12.297 0.399 378 HD1 HIS 27 HD1 HIS 27 -13.624 10.679 -1.003 379 HD2 HIS 27 HD2 HIS 27 -14.620 9.404 -2.116 380 HD2 HIS 27 HD2 HIS 27 -15.970 13.625 0.753 381 HE1 HIS 27 HE1 HIS 27 -18.112 10.705 -0.085 382 HE1 HIS 27 HE1 HIS 27 -16.003 9.950 -1.368 383 H ILE 28 H ILE 28 -13.822 10.463 2.674 384 H ILE 28 H ILE 28 -14.199 11.074 2.622 385 HA ILE 28 HA ILE 28 -15.731 12.527 3.505 386 HA ILE 28 HA ILE 28 -15.224 13.035 4.399 387 HB ILE 28 HB ILE 28 -15.472 9.664 4.427 388 HB ILE 28 HB ILE 28 -15.620 10.050 4.268 389 HG12 ILE 28 HG12 ILE 28 -17.201 11.036 2.394 390 HG12 ILE 28 HG12 ILE 28 -17.365 12.406 3.523 391 HG13 ILE 28 HG13 ILE 28 -16.307 9.527 2.249 392 HG13 ILE 28 HG13 ILE 28 -16.581 11.293 2.410 393 HG21 ILE 28 HG21 ILE 28 -16.377 11.262 6.117 394 HG21 ILE 28 HG21 ILE 28 -17.510 10.408 5.836 395 HG22 ILE 28 HG22 ILE 28 -17.687 11.620 4.995 396 HG22 ILE 28 HG22 ILE 28 -15.929 10.688 6.564 397 HG23 ILE 28 HG23 ILE 28 -17.503 9.990 5.641 398 HG23 ILE 28 HG23 ILE 28 -16.936 12.057 6.091 399 HD11 ILE 28 HD11 ILE 28 -18.630 9.023 2.333 400 HD11 ILE 28 HD11 ILE 28 -18.817 10.621 2.494 401 HD12 ILE 28 HD12 ILE 28 -17.908 8.511 3.858 402 HD12 ILE 28 HD12 ILE 28 -17.954 9.469 3.516 403 HD13 ILE 28 HD13 ILE 28 -18.846 10.002 3.784 404 HD13 ILE 28 HD13 ILE 28 -18.887 10.775 4.249 405 H THR 29 H THR 29 -13.155 10.468 4.823 406 H THR 29 H THR 29 -12.810 10.527 4.696 407 HA THR 29 HA THR 29 -12.961 12.298 7.122 408 HA THR 29 HA THR 29 -12.612 10.885 7.579 409 HB THR 29 HB THR 29 -11.769 10.462 8.287 410 HB THR 29 HB THR 29 -10.943 9.109 7.524 411 HG1 THR 29 HG1 THR 29 -11.760 8.405 7.326 412 HG1 THR 29 HG1 THR 29 -11.057 9.623 4.772 413 HG21 THR 29 HG21 THR 29 -13.823 8.876 8.342 414 HG21 THR 29 HG21 THR 29 -12.575 7.537 5.925 415 HG22 THR 29 HG22 THR 29 -14.559 10.065 7.267 416 HG22 THR 29 HG22 THR 29 -13.640 8.826 6.483 417 HG23 THR 29 HG23 THR 29 -14.017 10.545 8.877 418 HG23 THR 29 HG23 THR 29 -12.773 7.830 7.653 419 H ASN 30 H ASN 30 -11.642 12.012 4.237 420 H ASN 30 H ASN 30 -10.922 11.752 4.646 421 HA ASN 30 HA ASN 30 -9.591 12.359 3.280 422 HA ASN 30 HA ASN 30 -9.240 13.231 4.242 423 HB2 ASN 30 HB2 ASN 30 -10.278 14.509 4.719 424 HB2 ASN 30 HB2 ASN 30 -10.584 14.355 6.318 425 HB3 ASN 30 HB3 ASN 30 -8.792 14.087 5.566 426 HB3 ASN 30 HB3 ASN 30 -8.986 14.169 7.032 427 HD21 ASN 30 HD21 ASN 30 -7.163 13.213 3.629 428 HD21 ASN 30 HD21 ASN 30 -7.385 14.567 4.829 429 HD22 ASN 30 HD22 ASN 30 -6.856 14.460 2.475 430 HD22 ASN 30 HD22 ASN 30 -7.553 16.199 4.289 431 H ALA 31 H ALA 31 -9.728 10.111 5.137 432 H ALA 31 H ALA 31 -8.610 10.569 4.892 433 HA ALA 31 HA ALA 31 -7.057 10.097 6.337 434 HA ALA 31 HA ALA 31 -5.838 10.893 5.609 435 HB1 ALA 31 HB1 ALA 31 -9.389 8.212 6.613 436 HB1 ALA 31 HB1 ALA 31 -7.085 8.792 7.252 437 HB2 ALA 31 HB2 ALA 31 -7.810 7.944 7.354 438 HB2 ALA 31 HB2 ALA 31 -5.771 9.906 7.633 439 HB3 ALA 31 HB3 ALA 31 -8.776 9.348 7.813 440 HB3 ALA 31 HB3 ALA 31 -7.446 10.452 7.728 441 H SER 32 H SER 32 -5.610 8.322 5.965 442 H SER 32 H SER 32 -4.560 9.311 4.749 443 HA SER 32 HA SER 32 -6.064 6.882 3.441 444 HA SER 32 HA SER 32 -5.949 7.260 3.167 445 HB2 SER 32 HB2 SER 32 -3.276 7.694 4.030 446 HB2 SER 32 HB2 SER 32 -4.371 7.497 1.528 447 HB3 SER 32 HB3 SER 32 -4.121 7.596 2.485 448 HB3 SER 32 HB3 SER 32 -4.225 9.101 2.245 449 HG SER 32 HG SER 32 -5.022 9.570 2.850 450 HG SER 32 HG SER 32 -2.183 8.195 2.059 451 H GLN 33 H GLN 33 -5.272 4.811 3.335 452 H GLN 33 H GLN 33 -4.738 5.193 2.871 453 HA GLN 33 HA GLN 33 -3.722 3.788 5.592 454 HA GLN 33 HA GLN 33 -2.751 4.390 4.720 455 HB2 GLN 33 HB2 GLN 33 -6.498 3.413 5.392 456 HB2 GLN 33 HB2 GLN 33 -4.079 2.881 6.112 457 HB3 GLN 33 HB3 GLN 33 -5.781 1.888 4.886 458 HB3 GLN 33 HB3 GLN 33 -4.605 4.547 6.313 459 HG2 GLN 33 HG2 GLN 33 -5.220 1.354 6.965 460 HG2 GLN 33 HG2 GLN 33 -6.493 4.138 4.827 461 HG3 GLN 33 HG3 GLN 33 -4.509 2.939 7.262 462 HG3 GLN 33 HG3 GLN 33 -5.965 2.470 4.610 463 HE21 GLN 33 HE21 GLN 33 -7.824 1.971 6.486 464 HE21 GLN 33 HE21 GLN 33 -6.603 0.979 6.030 465 HE22 GLN 33 HE22 GLN 33 -8.542 2.654 7.901 466 HE22 GLN 33 HE22 GLN 33 -7.484 1.301 7.482 467 H PHE 34 H PHE 34 -2.974 1.522 5.190 468 H PHE 34 H PHE 34 -1.809 2.523 4.073 469 HA PHE 34 HA PHE 34 -2.487 1.123 2.311 470 HA PHE 34 HA PHE 34 -2.516 1.439 1.557 471 HB2 PHE 34 HB2 PHE 34 -0.685 1.166 4.614 472 HB2 PHE 34 HB2 PHE 34 -0.682 0.154 3.579 473 HB3 PHE 34 HB3 PHE 34 -0.488 -0.270 3.614 474 HB3 PHE 34 HB3 PHE 34 -0.647 -0.023 1.828 475 HD1 PHE 34 HD1 PHE 34 1.125 -0.137 2.002 476 HD1 PHE 34 HD1 PHE 34 0.876 1.529 4.539 477 HD2 PHE 34 HD2 PHE 34 -0.983 3.396 3.094 478 HD2 PHE 34 HD2 PHE 34 -0.363 2.293 0.539 479 HE1 PHE 34 HE1 PHE 34 2.476 1.158 0.405 480 HE1 PHE 34 HE1 PHE 34 2.498 3.373 4.392 481 HE2 PHE 34 HE2 PHE 34 0.362 4.697 1.498 482 HE2 PHE 34 HE2 PHE 34 1.258 4.137 0.386 483 HZ PHE 34 HZ PHE 34 2.095 3.578 0.150 484 HZ PHE 34 HZ PHE 34 2.693 4.677 2.313 485 H GLU 35 H GLU 35 -4.627 0.056 4.152 486 H GLU 35 H GLU 35 -3.072 0.412 4.869 487 HA GLU 35 HA GLU 35 -4.351 -2.732 3.334 488 HA GLU 35 HA GLU 35 -4.073 -2.174 4.191 489 HB2 GLU 35 HB2 GLU 35 -5.310 -2.153 6.117 490 HB2 GLU 35 HB2 GLU 35 -4.752 -0.713 6.727 491 HB3 GLU 35 HB3 GLU 35 -4.725 -3.667 5.442 492 HB3 GLU 35 HB3 GLU 35 -4.546 -2.442 6.475 493 HG2 GLU 35 HG2 GLU 35 -2.968 -3.048 6.771 494 HG2 GLU 35 HG2 GLU 35 -2.552 -2.105 7.425 495 HG3 GLU 35 HG3 GLU 35 -2.475 -2.387 5.213 496 HG3 GLU 35 HG3 GLU 35 -2.083 -1.545 5.823 497 H ARG 36 H ARG 36 -6.425 -3.931 3.563 498 H ARG 36 H ARG 36 -6.239 -2.909 4.299 499 HA ARG 36 HA ARG 36 -8.507 -2.662 2.274 500 HA ARG 36 HA ARG 36 -8.136 -0.984 3.271 501 HB2 ARG 36 HB2 ARG 36 -8.115 -5.170 2.660 502 HB2 ARG 36 HB2 ARG 36 -7.807 -3.408 2.465 503 HB3 ARG 36 HB3 ARG 36 -8.958 -4.942 4.186 504 HB3 ARG 36 HB3 ARG 36 -8.727 -3.869 3.891 505 HG2 ARG 36 HG2 ARG 36 -10.476 -5.770 2.497 506 HG2 ARG 36 HG2 ARG 36 -10.521 -2.268 3.047 507 HG3 ARG 36 HG3 ARG 36 -10.923 -4.132 2.971 508 HG3 ARG 36 HG3 ARG 36 -9.632 -2.266 1.523 509 HD2 ARG 36 HD2 ARG 36 -11.027 -4.523 0.522 510 HD2 ARG 36 HD2 ARG 36 -10.116 -4.934 2.629 511 HD3 ARG 36 HD3 ARG 36 -9.932 -3.222 0.985 512 HD3 ARG 36 HD3 ARG 36 -11.583 -4.049 2.214 513 HE ARG 36 HE ARG 36 -8.170 -4.455 0.185 514 HE ARG 36 HE ARG 36 -11.012 -4.184 -0.018 515 HH11 ARG 36 HH11 ARG 36 -10.987 -6.484 0.440 516 HH11 ARG 36 HH11 ARG 36 -8.377 -5.292 1.968 517 HH12 ARG 36 HH12 ARG 36 -10.266 -7.813 -0.404 518 HH12 ARG 36 HH12 ARG 36 -7.489 -5.965 0.643 519 HH21 ARG 36 HH21 ARG 36 -7.210 -6.201 -0.927 520 HH21 ARG 36 HH21 ARG 36 -9.851 -5.064 -1.773 521 HH22 ARG 36 HH22 ARG 36 -8.117 -7.652 -1.180 522 HH22 ARG 36 HH22 ARG 36 -8.327 -5.833 -1.487 523 HA PRO 37 HA PRO 37 -9.926 -0.097 5.682 524 HA PRO 37 HA PRO 37 -9.710 -0.196 7.385 525 HB2 PRO 37 HB2 PRO 37 -11.628 1.376 4.166 526 HB2 PRO 37 HB2 PRO 37 -11.516 1.677 6.606 527 HB3 PRO 37 HB3 PRO 37 -9.885 1.666 4.209 528 HB3 PRO 37 HB3 PRO 37 -9.789 2.017 6.773 529 HG2 PRO 37 HG2 PRO 37 -11.508 0.178 2.180 530 HG2 PRO 37 HG2 PRO 37 -11.369 1.415 4.303 531 HG3 PRO 37 HG3 PRO 37 -10.182 1.329 1.926 532 HG3 PRO 37 HG3 PRO 37 -10.111 2.639 4.556 533 HD2 PRO 37 HD2 PRO 37 -9.830 -1.353 1.782 534 HD2 PRO 37 HD2 PRO 37 -9.623 0.283 3.315 535 HD3 PRO 37 HD3 PRO 37 -8.560 -0.253 2.354 536 HD3 PRO 37 HD3 PRO 37 -8.400 1.117 4.296 537 H SER 38 H SER 38 -11.241 -1.182 7.028 538 H SER 38 H SER 38 -11.245 -1.274 8.448 539 HA SER 38 HA SER 38 -13.551 -2.617 6.110 540 HA SER 38 HA SER 38 -13.650 -2.119 6.966 541 HB2 SER 38 HB2 SER 38 -12.139 -3.318 8.068 542 HB2 SER 38 HB2 SER 38 -13.654 -4.206 8.186 543 HB3 SER 38 HB3 SER 38 -12.798 -1.947 8.962 544 HB3 SER 38 HB3 SER 38 -12.064 -3.995 7.452 545 HG SER 38 HG SER 38 -13.977 -4.350 8.274 546 HG SER 38 HG SER 38 -11.359 -3.187 9.511 547 H GLY 39 H GLY 39 -15.582 -2.231 7.731 548 H GLY 39 H GLY 39 -14.086 0.166 8.023 549 HA2 GLY 39 HA2 GLY 39 -16.224 0.647 7.526 550 HA2 GLY 39 HA2 GLY 39 -14.831 0.012 10.823 551 HA3 GLY 39 HA3 GLY 39 -17.369 -0.606 7.072 552 HA3 GLY 39 HA3 GLY 39 -14.995 1.412 9.773 Start of MODEL 7 1 H1 SER 5 H SER 5 -12.522 -2.972 -7.639 2 H1 SER 5 H SER 5 -13.738 -3.118 -7.769 3 HA SER 5 HA SER 5 -10.060 -2.331 -6.151 4 HA SER 5 HA SER 5 -11.318 -4.300 -6.570 5 HB2 SER 5 HB2 SER 5 -11.428 -0.513 -5.036 6 HB2 SER 5 HB2 SER 5 -10.773 -2.002 -5.768 7 HB3 SER 5 HB3 SER 5 -11.045 -0.231 -6.734 8 HB3 SER 5 HB3 SER 5 -10.785 -2.136 -7.527 9 HG SER 5 HG SER 5 -13.455 -0.456 -5.545 10 HG SER 5 HG SER 5 -11.931 -0.316 -7.008 11 H LYS 6 H LYS 6 -13.535 -3.009 -5.780 12 H LYS 6 H LYS 6 -11.848 -5.338 -4.770 13 HA LYS 6 HA LYS 6 -14.684 -4.270 -4.274 14 HA LYS 6 HA LYS 6 -14.213 -4.821 -3.283 15 HB2 LYS 6 HB2 LYS 6 -12.040 -5.432 -3.403 16 HB2 LYS 6 HB2 LYS 6 -11.770 -6.399 -2.454 17 HB3 LYS 6 HB3 LYS 6 -13.634 -6.169 -3.291 18 HB3 LYS 6 HB3 LYS 6 -13.364 -6.488 -1.717 19 HG2 LYS 6 HG2 LYS 6 -13.728 -6.281 -5.750 20 HG2 LYS 6 HG2 LYS 6 -14.261 -7.669 -3.472 21 HG3 LYS 6 HG3 LYS 6 -12.092 -5.617 -5.818 22 HG3 LYS 6 HG3 LYS 6 -13.066 -7.068 -4.626 23 HD2 LYS 6 HD2 LYS 6 -11.581 -7.835 -5.916 24 HD2 LYS 6 HD2 LYS 6 -11.524 -8.642 -4.052 25 HD3 LYS 6 HD3 LYS 6 -11.618 -7.640 -4.161 26 HD3 LYS 6 HD3 LYS 6 -12.062 -8.713 -2.373 27 HE2 LYS 6 HE2 LYS 6 -13.927 -8.433 -4.119 28 HE2 LYS 6 HE2 LYS 6 -13.528 -10.367 -2.788 29 HE3 LYS 6 HE3 LYS 6 -13.906 -8.607 -5.874 30 HE3 LYS 6 HE3 LYS 6 -14.032 -9.666 -4.326 31 HZ1 LYS 6 HZ1 LYS 6 -13.202 -10.666 -5.525 32 HZ1 LYS 6 HZ1 LYS 6 -12.591 -10.924 -5.457 33 HZ2 LYS 6 HZ2 LYS 6 -12.943 -10.392 -3.876 34 HZ2 LYS 6 HZ2 LYS 6 -12.558 -11.896 -4.073 35 HZ3 LYS 6 HZ3 LYS 6 -11.729 -10.021 -4.996 36 HZ3 LYS 6 HZ3 LYS 6 -11.352 -10.738 -4.321 37 H LEU 7 H LEU 7 -14.399 -1.796 -3.447 38 H LEU 7 H LEU 7 -14.545 -3.182 -1.948 39 HA LEU 7 HA LEU 7 -13.613 -2.013 -0.616 40 HA LEU 7 HA LEU 7 -12.808 -2.522 0.172 41 HB2 LEU 7 HB2 LEU 7 -13.239 0.171 -2.605 42 HB2 LEU 7 HB2 LEU 7 -11.959 -0.416 -0.462 43 HB3 LEU 7 HB3 LEU 7 -13.506 0.607 -0.918 44 HB3 LEU 7 HB3 LEU 7 -11.575 -1.525 -1.776 45 HG LEU 7 HG LEU 7 -11.505 -0.493 -0.236 46 HG LEU 7 HG LEU 7 -14.044 -0.310 -2.417 47 HD11 LEU 7 HD11 LEU 7 -11.287 -2.462 -1.379 48 HD11 LEU 7 HD11 LEU 7 -12.007 1.825 -1.924 49 HD12 LEU 7 HD12 LEU 7 -10.070 -1.485 -2.200 50 HD12 LEU 7 HD12 LEU 7 -13.158 1.374 -0.664 51 HD13 LEU 7 HD13 LEU 7 -11.652 -1.726 -2.941 52 HD13 LEU 7 HD13 LEU 7 -13.741 1.977 -2.217 53 HD21 LEU 7 HD21 LEU 7 -10.657 1.489 -0.862 54 HD21 LEU 7 HD21 LEU 7 -11.275 0.203 -3.498 55 HD22 LEU 7 HD22 LEU 7 -11.436 1.439 -2.443 56 HD22 LEU 7 HD22 LEU 7 -12.799 0.534 -4.321 57 HD23 LEU 7 HD23 LEU 7 -9.928 0.565 -2.177 58 HD23 LEU 7 HD23 LEU 7 -12.327 -1.130 -3.973 59 HA PRO 8 HA PRO 8 -17.688 -0.915 0.583 60 HA PRO 8 HA PRO 8 -16.511 -0.745 1.718 61 HB2 PRO 8 HB2 PRO 8 -17.245 0.681 2.734 62 HB2 PRO 8 HB2 PRO 8 -15.541 1.112 3.446 63 HB3 PRO 8 HB3 PRO 8 -16.981 -1.067 2.763 64 HB3 PRO 8 HB3 PRO 8 -15.467 -0.625 3.762 65 HG2 PRO 8 HG2 PRO 8 -14.994 1.143 2.412 66 HG2 PRO 8 HG2 PRO 8 -13.338 1.202 2.717 67 HG3 PRO 8 HG3 PRO 8 -14.870 -0.328 3.396 68 HG3 PRO 8 HG3 PRO 8 -13.211 -0.088 3.927 69 HD2 PRO 8 HD2 PRO 8 -13.691 -0.095 0.969 70 HD2 PRO 8 HD2 PRO 8 -12.441 -0.424 1.353 71 HD3 PRO 8 HD3 PRO 8 -14.305 -1.641 1.586 72 HD3 PRO 8 HD3 PRO 8 -13.108 -1.749 2.332 73 HA PRO 9 HA PRO 9 -19.021 2.993 -0.932 74 HA PRO 9 HA PRO 9 -17.582 2.911 -0.481 75 HB2 PRO 9 HB2 PRO 9 -20.956 3.737 0.820 76 HB2 PRO 9 HB2 PRO 9 -19.501 3.959 1.127 77 HB3 PRO 9 HB3 PRO 9 -21.164 2.418 -0.340 78 HB3 PRO 9 HB3 PRO 9 -19.756 2.513 0.145 79 HG2 PRO 9 HG2 PRO 9 -20.468 2.291 2.569 80 HG2 PRO 9 HG2 PRO 9 -19.096 2.734 3.056 81 HG3 PRO 9 HG3 PRO 9 -21.600 1.287 1.645 82 HG3 PRO 9 HG3 PRO 9 -20.262 1.666 2.251 83 HD2 PRO 9 HD2 PRO 9 -19.104 0.454 2.286 84 HD2 PRO 9 HD2 PRO 9 -17.813 0.820 3.034 85 HD3 PRO 9 HD3 PRO 9 -19.921 -0.042 0.789 86 HD3 PRO 9 HD3 PRO 9 -18.634 0.170 1.601 87 H GLY 10 H GLY 10 -17.818 4.784 -0.893 88 H GLY 10 H GLY 10 -17.151 5.098 -0.598 89 HA2 GLY 10 HA2 GLY 10 -17.576 6.970 0.195 90 HA2 GLY 10 HA2 GLY 10 -16.644 7.236 0.274 91 HA3 GLY 10 HA3 GLY 10 -17.388 6.105 1.714 92 HA3 GLY 10 HA3 GLY 10 -16.301 6.493 1.830 93 H TRP 11 H TRP 11 -15.729 4.098 0.038 94 H TRP 11 H TRP 11 -14.538 4.472 0.922 95 HA TRP 11 HA TRP 11 -13.217 5.589 0.329 96 HA TRP 11 HA TRP 11 -12.145 6.064 0.641 97 HB2 TRP 11 HB2 TRP 11 -13.936 2.689 0.549 98 HB2 TRP 11 HB2 TRP 11 -12.427 3.053 0.772 99 HB3 TRP 11 HB3 TRP 11 -12.280 3.148 0.163 100 HB3 TRP 11 HB3 TRP 11 -10.946 3.980 0.996 101 HD1 TRP 11 HD1 TRP 11 -14.818 3.206 3.009 102 HD1 TRP 11 HD1 TRP 11 -14.254 3.163 2.767 103 HE1 TRP 11 HE1 TRP 11 -13.595 3.783 5.200 104 HE1 TRP 11 HE1 TRP 11 -13.982 3.668 5.275 105 HE3 TRP 11 HE3 TRP 11 -10.238 4.409 1.087 106 HE3 TRP 11 HE3 TRP 11 -9.635 5.350 2.657 107 HZ2 TRP 11 HZ2 TRP 11 -11.027 4.636 6.005 108 HZ2 TRP 11 HZ2 TRP 11 -12.063 4.841 6.981 109 HZ3 TRP 11 HZ3 TRP 11 -8.452 5.097 2.634 110 HZ3 TRP 11 HZ3 TRP 11 -8.652 6.137 4.770 111 HH2 TRP 11 HH2 TRP 11 -8.841 5.208 5.043 112 HH2 TRP 11 HH2 TRP 11 -9.844 5.886 6.887 113 H GLU 12 H GLU 12 -11.567 5.397 -1.256 114 H GLU 12 H GLU 12 -10.692 6.027 -1.057 115 HA GLU 12 HA GLU 12 -12.476 4.448 -3.888 116 HA GLU 12 HA GLU 12 -11.697 4.815 -3.550 117 HB2 GLU 12 HB2 GLU 12 -12.670 6.920 -3.737 118 HB2 GLU 12 HB2 GLU 12 -10.260 7.417 -3.064 119 HB3 GLU 12 HB3 GLU 12 -10.950 7.009 -3.388 120 HB3 GLU 12 HB3 GLU 12 -10.311 6.670 -4.656 121 HG2 GLU 12 HG2 GLU 12 -10.506 5.943 -5.584 122 HG2 GLU 12 HG2 GLU 12 -12.821 7.219 -3.121 123 HG3 GLU 12 HG3 GLU 12 -12.231 6.034 -5.928 124 HG3 GLU 12 HG3 GLU 12 -12.044 8.471 -4.088 125 H LYS 13 H LYS 13 -11.155 2.942 -4.633 126 H LYS 13 H LYS 13 -10.274 3.734 -4.872 127 HA LYS 13 HA LYS 13 -8.551 2.531 -3.486 128 HA LYS 13 HA LYS 13 -7.708 3.033 -3.637 129 HB2 LYS 13 HB2 LYS 13 -10.062 0.667 -4.167 130 HB2 LYS 13 HB2 LYS 13 -9.114 1.132 -4.102 131 HB3 LYS 13 HB3 LYS 13 -9.829 1.137 -5.845 132 HB3 LYS 13 HB3 LYS 13 -9.360 1.661 -5.762 133 HG2 LYS 13 HG2 LYS 13 -7.340 0.709 -4.373 134 HG2 LYS 13 HG2 LYS 13 -6.900 1.355 -6.127 135 HG3 LYS 13 HG3 LYS 13 -8.358 -0.726 -4.512 136 HG3 LYS 13 HG3 LYS 13 -6.824 0.614 -4.527 137 HD2 LYS 13 HD2 LYS 13 -8.530 -0.061 -7.010 138 HD2 LYS 13 HD2 LYS 13 -7.926 -1.270 -5.197 139 HD3 LYS 13 HD3 LYS 13 -7.101 0.921 -6.677 140 HD3 LYS 13 HD3 LYS 13 -8.864 -0.416 -6.424 141 HE2 LYS 13 HE2 LYS 13 -6.384 -1.434 -5.545 142 HE2 LYS 13 HE2 LYS 13 -7.463 -1.223 -7.949 143 HE3 LYS 13 HE3 LYS 13 -7.396 -2.001 -6.872 144 HE3 LYS 13 HE3 LYS 13 -6.203 -0.208 -7.247 145 HZ1 LYS 13 HZ1 LYS 13 -5.261 -1.871 -7.760 146 HZ1 LYS 13 HZ1 LYS 13 -6.615 -3.067 -7.023 147 HZ2 LYS 13 HZ2 LYS 13 -4.920 -0.394 -7.011 148 HZ2 LYS 13 HZ2 LYS 13 -6.167 -2.294 -5.588 149 HZ3 LYS 13 HZ3 LYS 13 -6.007 -0.454 -8.307 150 HZ3 LYS 13 HZ3 LYS 13 -5.182 -2.170 -6.957 151 H ARG 14 H ARG 14 -6.837 3.671 -4.085 152 H ARG 14 H ARG 14 -5.883 3.829 -4.433 153 HA ARG 14 HA ARG 14 -6.656 4.588 -6.877 154 HA ARG 14 HA ARG 14 -5.781 4.580 -7.272 155 HB2 ARG 14 HB2 ARG 14 -5.227 5.694 -4.453 156 HB2 ARG 14 HB2 ARG 14 -4.380 6.230 -5.194 157 HB3 ARG 14 HB3 ARG 14 -5.186 6.355 -6.082 158 HB3 ARG 14 HB3 ARG 14 -4.811 6.662 -6.843 159 HG2 ARG 14 HG2 ARG 14 -7.879 6.063 -4.977 160 HG2 ARG 14 HG2 ARG 14 -7.255 6.199 -5.706 161 HG3 ARG 14 HG3 ARG 14 -6.844 7.184 -4.092 162 HG3 ARG 14 HG3 ARG 14 -6.341 6.914 -4.376 163 HD2 ARG 14 HD2 ARG 14 -7.986 8.440 -5.759 164 HD2 ARG 14 HD2 ARG 14 -5.933 8.886 -5.563 165 HD3 ARG 14 HD3 ARG 14 -6.311 8.278 -6.281 166 HD3 ARG 14 HD3 ARG 14 -6.326 8.141 -7.112 167 HE ARG 14 HE ARG 14 -7.485 6.215 -7.527 168 HE ARG 14 HE ARG 14 -8.170 9.276 -5.209 169 HH11 ARG 14 HH11 ARG 14 -8.345 9.580 -7.277 170 HH11 ARG 14 HH11 ARG 14 -7.765 7.124 -7.916 171 HH12 ARG 14 HH12 ARG 14 -9.123 9.629 -8.823 172 HH12 ARG 14 HH12 ARG 14 -9.425 7.217 -8.405 173 HH21 ARG 14 HH21 ARG 14 -8.507 6.268 -9.566 174 HH21 ARG 14 HH21 ARG 14 -10.357 9.407 -5.843 175 HH22 ARG 14 HH22 ARG 14 -9.215 7.747 -10.125 176 HH22 ARG 14 HH22 ARG 14 -10.898 8.517 -7.226 177 H MET 15 H MET 15 -4.388 4.777 -7.716 178 H MET 15 H MET 15 -3.736 4.424 -8.257 179 HA MET 15 HA MET 15 -2.601 2.723 -6.624 180 HA MET 15 HA MET 15 -1.736 2.930 -6.693 181 HB2 MET 15 HB2 MET 15 -4.146 2.206 -8.806 182 HB2 MET 15 HB2 MET 15 -3.139 1.924 -8.795 183 HB3 MET 15 HB3 MET 15 -2.698 2.852 -9.566 184 HB3 MET 15 HB3 MET 15 -1.725 2.568 -9.619 185 HG2 MET 15 HG2 MET 15 -1.799 1.049 -7.627 186 HG2 MET 15 HG2 MET 15 -0.635 0.727 -9.086 187 HG3 MET 15 HG3 MET 15 -3.163 0.266 -8.421 188 HG3 MET 15 HG3 MET 15 -0.739 1.200 -7.392 189 HE1 MET 15 HE1 MET 15 -2.418 -1.436 -9.363 190 HE1 MET 15 HE1 MET 15 -3.154 -0.559 -10.189 191 HE2 MET 15 HE2 MET 15 -2.048 -1.341 -11.084 192 HE2 MET 15 HE2 MET 15 -1.516 -1.198 -10.040 193 HE3 MET 15 HE3 MET 15 -0.766 -1.692 -9.926 194 HE3 MET 15 HE3 MET 15 -2.892 -2.166 -9.509 195 H SER 16 H SER 16 -0.644 3.538 -6.317 196 H SER 16 H SER 16 0.403 3.475 -6.933 197 HA SER 16 HA SER 16 0.085 6.071 -7.507 198 HA SER 16 HA SER 16 0.906 6.101 -8.054 199 HB2 SER 16 HB2 SER 16 1.032 4.413 -5.263 200 HB2 SER 16 HB2 SER 16 3.276 5.555 -7.092 201 HB3 SER 16 HB3 SER 16 2.297 5.301 -6.112 202 HB3 SER 16 HB3 SER 16 1.949 5.890 -5.980 203 HG SER 16 HG SER 16 1.191 7.207 -5.700 204 HG SER 16 HG SER 16 2.875 4.047 -5.243 205 H ARG 17 H ARG 17 1.893 6.450 -8.811 206 H ARG 17 H ARG 17 2.361 6.575 -9.687 207 HA ARG 17 HA ARG 17 2.686 4.141 -10.422 208 HA ARG 17 HA ARG 17 2.882 4.373 -11.529 209 HB2 ARG 17 HB2 ARG 17 3.417 5.754 -12.081 210 HB2 ARG 17 HB2 ARG 17 1.796 6.566 -12.234 211 HB3 ARG 17 HB3 ARG 17 1.775 6.127 -11.575 212 HB3 ARG 17 HB3 ARG 17 3.377 7.306 -12.020 213 HG2 ARG 17 HG2 ARG 17 2.357 8.109 -10.689 214 HG2 ARG 17 HG2 ARG 17 4.156 5.385 -13.618 215 HG3 ARG 17 HG3 ARG 17 3.898 7.503 -10.079 216 HG3 ARG 17 HG3 ARG 17 2.452 5.368 -14.079 217 HD2 ARG 17 HD2 ARG 17 3.274 8.234 -12.937 218 HD2 ARG 17 HD2 ARG 17 3.760 6.827 -15.541 219 HD3 ARG 17 HD3 ARG 17 4.246 9.179 -11.811 220 HD3 ARG 17 HD3 ARG 17 2.561 7.740 -14.625 221 HE ARG 17 HE ARG 17 5.535 6.821 -11.843 222 HE ARG 17 HE ARG 17 4.264 8.869 -13.595 223 HH11 ARG 17 HH11 ARG 17 4.384 8.897 -14.389 224 HH11 ARG 17 HH11 ARG 17 5.552 6.024 -15.132 225 HH12 ARG 17 HH12 ARG 17 5.626 8.437 -15.505 226 HH12 ARG 17 HH12 ARG 17 7.204 6.455 -14.841 227 HH21 ARG 17 HH21 ARG 17 7.176 6.206 -13.304 228 HH21 ARG 17 HH21 ARG 17 6.434 9.449 -13.205 229 HH22 ARG 17 HH22 ARG 17 7.214 6.904 -14.886 230 HH22 ARG 17 HH22 ARG 17 7.705 8.405 -13.744 231 H ASN 18 H ASN 18 5.050 4.676 -11.430 232 H ASN 18 H ASN 18 4.459 4.483 -9.161 233 HA ASN 18 HA ASN 18 7.299 4.720 -11.081 234 HA ASN 18 HA ASN 18 7.091 4.561 -10.383 235 HB2 ASN 18 HB2 ASN 18 6.274 6.705 -9.280 236 HB2 ASN 18 HB2 ASN 18 6.181 6.481 -8.306 237 HB3 ASN 18 HB3 ASN 18 7.599 5.848 -8.498 238 HB3 ASN 18 HB3 ASN 18 7.791 5.796 -8.103 239 HD21 ASN 18 HD21 ASN 18 6.850 8.407 -10.398 240 HD21 ASN 18 HD21 ASN 18 7.278 8.507 -8.558 241 HD22 ASN 18 HD22 ASN 18 8.377 8.658 -11.167 242 HD22 ASN 18 HD22 ASN 18 7.948 8.936 -10.092 243 H SER 19 H SER 19 6.207 4.506 -7.705 244 H SER 19 H SER 19 5.165 3.981 -7.471 245 HA SER 19 HA SER 19 7.899 2.237 -7.227 246 HA SER 19 HA SER 19 6.979 1.757 -6.804 247 HB2 SER 19 HB2 SER 19 6.471 4.162 -5.642 248 HB2 SER 19 HB2 SER 19 6.299 2.036 -4.465 249 HB3 SER 19 HB3 SER 19 6.075 2.537 -5.081 250 HB3 SER 19 HB3 SER 19 6.968 3.539 -5.099 251 HG SER 19 HG SER 19 8.349 2.146 -4.956 252 HG SER 19 HG SER 19 5.062 4.465 -4.954 253 H GLY 20 H GLY 20 4.531 2.759 -7.953 254 H GLY 20 H GLY 20 3.760 2.711 -7.554 255 HA2 GLY 20 HA2 GLY 20 2.893 1.259 -8.565 256 HA2 GLY 20 HA2 GLY 20 1.865 1.477 -7.957 257 HA3 GLY 20 HA3 GLY 20 4.129 0.010 -8.581 258 HA3 GLY 20 HA3 GLY 20 2.891 0.051 -7.950 259 H ARG 21 H ARG 21 2.682 2.070 -6.052 260 H ARG 21 H ARG 21 3.041 1.956 -5.121 261 HA ARG 21 HA ARG 21 2.191 -0.386 -4.498 262 HA ARG 21 HA ARG 21 2.003 -0.155 -3.517 263 HB2 ARG 21 HB2 ARG 21 3.537 2.059 -3.800 264 HB2 ARG 21 HB2 ARG 21 3.060 2.590 -3.007 265 HB3 ARG 21 HB3 ARG 21 2.136 1.835 -2.761 266 HB3 ARG 21 HB3 ARG 21 2.144 1.795 -1.734 267 HG2 ARG 21 HG2 ARG 21 3.049 0.086 -1.688 268 HG2 ARG 21 HG2 ARG 21 3.774 0.289 -1.311 269 HG3 ARG 21 HG3 ARG 21 3.813 -0.549 -3.145 270 HG3 ARG 21 HG3 ARG 21 4.289 0.208 -2.998 271 HD2 ARG 21 HD2 ARG 21 5.551 0.132 -1.670 272 HD2 ARG 21 HD2 ARG 21 6.040 1.221 -1.700 273 HD3 ARG 21 HD3 ARG 21 5.477 1.311 -2.979 274 HD3 ARG 21 HD3 ARG 21 5.316 2.450 -2.737 275 HE ARG 21 HE ARG 21 4.637 1.736 -0.204 276 HE ARG 21 HE ARG 21 5.029 2.240 0.169 277 HH11 ARG 21 HH11 ARG 21 5.170 2.971 -3.415 278 HH11 ARG 21 HH11 ARG 21 4.412 3.943 -2.803 279 HH12 ARG 21 HH12 ARG 21 5.080 4.632 -2.932 280 HH12 ARG 21 HH12 ARG 21 3.921 5.407 -2.016 281 HH21 ARG 21 HH21 ARG 21 4.516 3.920 0.444 282 HH21 ARG 21 HH21 ARG 21 4.384 4.161 1.218 283 HH22 ARG 21 HH22 ARG 21 4.709 5.170 -0.736 284 HH22 ARG 21 HH22 ARG 21 3.907 5.529 0.272 285 H VAL 22 H VAL 22 0.339 -0.275 -3.004 286 H VAL 22 H VAL 22 -0.132 -0.448 -4.290 287 HA VAL 22 HA VAL 22 -1.892 1.160 -4.261 288 HA VAL 22 HA VAL 22 -2.107 1.497 -4.495 289 HB VAL 22 HB VAL 22 -1.933 -1.214 -2.394 290 HB VAL 22 HB VAL 22 -2.214 -0.966 -5.198 291 HG11 VAL 22 HG11 VAL 22 -4.322 -1.330 -2.895 292 HG11 VAL 22 HG11 VAL 22 -2.712 -2.606 -3.713 293 HG12 VAL 22 HG12 VAL 22 -3.905 0.197 -2.115 294 HG12 VAL 22 HG12 VAL 22 -1.850 -1.529 -2.612 295 HG13 VAL 22 HG13 VAL 22 -4.197 0.144 -3.854 296 HG13 VAL 22 HG13 VAL 22 -3.613 -1.525 -2.650 297 HG21 VAL 22 HG21 VAL 22 -2.278 -2.582 -4.223 298 HG21 VAL 22 HG21 VAL 22 -4.651 -0.997 -5.060 299 HG22 VAL 22 HG22 VAL 22 -2.836 -1.255 -5.243 300 HG22 VAL 22 HG22 VAL 22 -4.604 0.271 -3.835 301 HG23 VAL 22 HG23 VAL 22 -1.122 -1.414 -4.863 302 HG23 VAL 22 HG23 VAL 22 -4.062 0.612 -5.478 303 H TYR 23 H TYR 23 -3.182 2.541 -3.137 304 H TYR 23 H TYR 23 -3.585 2.378 -3.106 305 HA TYR 23 HA TYR 23 -2.915 2.790 -0.257 306 HA TYR 23 HA TYR 23 -3.618 1.554 -0.316 307 HB2 TYR 23 HB2 TYR 23 -2.217 5.067 -0.236 308 HB2 TYR 23 HB2 TYR 23 -3.204 3.830 0.512 309 HB3 TYR 23 HB3 TYR 23 -1.101 4.217 -1.299 310 HB3 TYR 23 HB3 TYR 23 -1.819 3.215 -0.385 311 HD1 TYR 23 HD1 TYR 23 -3.831 6.661 -1.134 312 HD1 TYR 23 HD1 TYR 23 -4.267 5.831 -0.127 313 HD2 TYR 23 HD2 TYR 23 -1.076 4.652 -3.681 314 HD2 TYR 23 HD2 TYR 23 -1.486 3.992 -2.771 315 HE1 TYR 23 HE1 TYR 23 -4.320 8.274 -2.926 316 HE1 TYR 23 HE1 TYR 23 -4.315 7.830 -1.560 317 HE2 TYR 23 HE2 TYR 23 -1.556 6.262 -5.478 318 HE2 TYR 23 HE2 TYR 23 -1.525 5.987 -4.209 319 HH TYR 23 HH TYR 23 -4.025 8.768 -5.090 320 HH TYR 23 HH TYR 23 -3.822 8.544 -3.742 321 H TYR 24 H TYR 24 -4.756 3.480 0.685 322 H TYR 24 H TYR 24 -5.177 3.208 0.894 323 HA TYR 24 HA TYR 24 -6.977 4.179 -1.103 324 HA TYR 24 HA TYR 24 -7.487 3.695 -0.865 325 HB2 TYR 24 HB2 TYR 24 -7.175 3.358 1.796 326 HB2 TYR 24 HB2 TYR 24 -7.521 2.532 1.926 327 HB3 TYR 24 HB3 TYR 24 -8.458 3.387 0.592 328 HB3 TYR 24 HB3 TYR 24 -8.953 2.997 1.016 329 HD1 TYR 24 HD1 TYR 24 -7.893 1.872 -1.562 330 HD1 TYR 24 HD1 TYR 24 -9.739 1.653 -0.842 331 HD2 TYR 24 HD2 TYR 24 -6.304 1.299 2.343 332 HD2 TYR 24 HD2 TYR 24 -6.243 0.549 1.316 333 HE1 TYR 24 HE1 TYR 24 -7.448 -0.486 -2.096 334 HE1 TYR 24 HE1 TYR 24 -9.819 -0.581 -1.868 335 HE2 TYR 24 HE2 TYR 24 -5.853 -1.060 1.819 336 HE2 TYR 24 HE2 TYR 24 -6.313 -1.688 0.295 337 HH TYR 24 HH TYR 24 -6.833 -2.477 -1.274 338 HH TYR 24 HH TYR 24 -7.406 -3.061 -1.057 339 H PHE 25 H PHE 25 -8.429 5.870 -0.539 340 H PHE 25 H PHE 25 -8.168 5.725 -0.832 341 HA PHE 25 HA PHE 25 -7.433 7.808 1.426 342 HA PHE 25 HA PHE 25 -7.681 7.338 1.583 343 HB2 PHE 25 HB2 PHE 25 -6.997 8.177 -1.241 344 HB2 PHE 25 HB2 PHE 25 -6.088 8.036 -0.105 345 HB3 PHE 25 HB3 PHE 25 -8.542 8.996 -1.033 346 HB3 PHE 25 HB3 PHE 25 -7.371 8.194 -1.300 347 HD1 PHE 25 HD1 PHE 25 -8.713 11.032 0.206 348 HD1 PHE 25 HD1 PHE 25 -8.837 10.097 -1.309 349 HD2 PHE 25 HD2 PHE 25 -5.004 8.960 -0.059 350 HD2 PHE 25 HD2 PHE 25 -5.830 9.674 1.675 351 HE1 PHE 25 HE1 PHE 25 -7.549 13.010 1.094 352 HE1 PHE 25 HE1 PHE 25 -9.144 12.452 -0.670 353 HE2 PHE 25 HE2 PHE 25 -3.834 10.933 0.829 354 HE2 PHE 25 HE2 PHE 25 -6.134 12.028 2.319 355 HZ PHE 25 HZ PHE 25 -5.106 12.962 1.407 356 HZ PHE 25 HZ PHE 25 -7.792 13.421 1.147 357 H ASN 26 H ASN 26 -8.985 8.514 2.734 358 H ASN 26 H ASN 26 -9.464 8.187 2.423 359 HA ASN 26 HA ASN 26 -11.758 7.868 2.092 360 HA ASN 26 HA ASN 26 -11.902 8.228 0.791 361 HB2 ASN 26 HB2 ASN 26 -10.779 7.225 4.302 362 HB2 ASN 26 HB2 ASN 26 -11.992 6.953 2.902 363 HB3 ASN 26 HB3 ASN 26 -10.615 8.937 4.680 364 HB3 ASN 26 HB3 ASN 26 -11.588 8.418 3.796 365 HD21 ASN 26 HD21 ASN 26 -12.964 6.454 3.815 366 HD21 ASN 26 HD21 ASN 26 -13.715 7.472 4.743 367 HD22 ASN 26 HD22 ASN 26 -14.295 7.166 4.659 368 HD22 ASN 26 HD22 ASN 26 -15.161 8.197 4.136 369 H HIS 27 H HIS 27 -12.884 9.361 1.039 370 H HIS 27 H HIS 27 -12.637 10.096 0.039 371 HA HIS 27 HA HIS 27 -12.181 12.159 1.181 372 HA HIS 27 HA HIS 27 -11.407 12.576 0.716 373 HB2 HIS 27 HB2 HIS 27 -13.762 12.492 -0.564 374 HB2 HIS 27 HB2 HIS 27 -13.329 13.501 -0.729 375 HB3 HIS 27 HB3 HIS 27 -12.957 10.967 -0.920 376 HB3 HIS 27 HB3 HIS 27 -12.157 12.439 -1.504 377 HD1 HIS 27 HD1 HIS 27 -14.421 8.968 -1.226 378 HD1 HIS 27 HD1 HIS 27 -15.628 12.254 0.021 379 HD2 HIS 27 HD2 HIS 27 -16.427 12.137 0.561 380 HD2 HIS 27 HD2 HIS 27 -13.259 10.308 -2.782 381 HE1 HIS 27 HE1 HIS 27 -16.832 8.261 -1.115 382 HE1 HIS 27 HE1 HIS 27 -17.130 10.556 -1.065 383 H ILE 28 H ILE 28 -13.805 10.235 3.225 384 H ILE 28 H ILE 28 -13.789 10.772 2.218 385 HA ILE 28 HA ILE 28 -16.007 12.051 3.805 386 HA ILE 28 HA ILE 28 -15.324 13.011 3.231 387 HB ILE 28 HB ILE 28 -15.202 9.389 4.958 388 HB ILE 28 HB ILE 28 -15.436 10.100 4.031 389 HG12 ILE 28 HG12 ILE 28 -17.575 10.374 3.368 390 HG12 ILE 28 HG12 ILE 28 -16.861 11.693 1.918 391 HG13 ILE 28 HG13 ILE 28 -16.347 9.225 2.847 392 HG13 ILE 28 HG13 ILE 28 -16.076 10.125 1.776 393 HG21 ILE 28 HG21 ILE 28 -15.996 10.742 6.800 394 HG21 ILE 28 HG21 ILE 28 -16.317 11.768 5.679 395 HG22 ILE 28 HG22 ILE 28 -17.420 11.213 5.875 396 HG22 ILE 28 HG22 ILE 28 -17.496 12.252 4.463 397 HG23 ILE 28 HG23 ILE 28 -17.213 9.538 6.379 398 HG23 ILE 28 HG23 ILE 28 -17.507 10.606 5.094 399 HD11 ILE 28 HD11 ILE 28 -18.412 8.788 4.991 400 HD11 ILE 28 HD11 ILE 28 -18.416 9.775 1.659 401 HD12 ILE 28 HD12 ILE 28 -18.389 8.070 3.380 402 HD12 ILE 28 HD12 ILE 28 -17.880 9.194 3.234 403 HD13 ILE 28 HD13 ILE 28 -17.142 7.645 4.553 404 HD13 ILE 28 HD13 ILE 28 -18.697 10.751 3.100 405 H THR 29 H THR 29 -12.911 11.064 5.123 406 H THR 29 H THR 29 -13.043 10.611 4.507 407 HA THR 29 HA THR 29 -13.051 13.307 7.001 408 HA THR 29 HA THR 29 -12.968 11.966 7.080 409 HB THR 29 HB THR 29 -11.871 11.836 8.717 410 HB THR 29 HB THR 29 -11.396 10.157 7.739 411 HG1 THR 29 HG1 THR 29 -13.004 9.785 7.088 412 HG1 THR 29 HG1 THR 29 -10.693 8.729 6.294 413 HG21 THR 29 HG21 THR 29 -14.198 10.605 9.179 414 HG21 THR 29 HG21 THR 29 -14.101 9.541 6.618 415 HG22 THR 29 HG22 THR 29 -14.738 11.764 7.964 416 HG22 THR 29 HG22 THR 29 -13.576 9.616 8.300 417 HG23 THR 29 HG23 THR 29 -13.970 12.332 9.447 418 HG23 THR 29 HG23 THR 29 -13.113 8.245 7.293 419 H ASN 30 H ASN 30 -11.631 12.566 4.428 420 H ASN 30 H ASN 30 -11.161 11.802 4.144 421 HA ASN 30 HA ASN 30 -9.551 12.685 3.491 422 HA ASN 30 HA ASN 30 -9.347 12.965 3.409 423 HB2 ASN 30 HB2 ASN 30 -8.655 14.466 5.713 424 HB2 ASN 30 HB2 ASN 30 -10.510 14.704 5.101 425 HB3 ASN 30 HB3 ASN 30 -8.456 14.656 3.975 426 HB3 ASN 30 HB3 ASN 30 -8.978 14.474 5.938 427 HD21 ASN 30 HD21 ASN 30 -10.924 14.532 2.987 428 HD21 ASN 30 HD21 ASN 30 -7.268 14.140 3.813 429 HD22 ASN 30 HD22 ASN 30 -11.917 15.794 3.625 430 HD22 ASN 30 HD22 ASN 30 -7.181 15.612 2.912 431 H ALA 31 H ALA 31 -9.966 10.632 5.586 432 H ALA 31 H ALA 31 -9.053 10.474 4.773 433 HA ALA 31 HA ALA 31 -7.464 10.416 6.997 434 HA ALA 31 HA ALA 31 -6.281 10.780 5.701 435 HB1 ALA 31 HB1 ALA 31 -9.937 9.430 7.474 436 HB1 ALA 31 HB1 ALA 31 -8.206 8.848 6.974 437 HB2 ALA 31 HB2 ALA 31 -9.148 8.017 6.773 438 HB2 ALA 31 HB2 ALA 31 -6.580 9.276 7.507 439 HB3 ALA 31 HB3 ALA 31 -8.459 8.795 8.198 440 HB3 ALA 31 HB3 ALA 31 -7.882 10.458 7.619 441 H SER 32 H SER 32 -5.862 8.837 6.668 442 H SER 32 H SER 32 -4.868 9.282 4.948 443 HA SER 32 HA SER 32 -5.914 7.475 4.062 444 HA SER 32 HA SER 32 -5.943 7.314 3.054 445 HB2 SER 32 HB2 SER 32 -4.421 9.062 3.400 446 HB2 SER 32 HB2 SER 32 -3.202 7.345 2.695 447 HB3 SER 32 HB3 SER 32 -3.970 9.475 5.055 448 HB3 SER 32 HB3 SER 32 -4.374 8.246 1.733 449 HG SER 32 HG SER 32 -2.555 7.804 5.095 450 HG SER 32 HG SER 32 -3.934 10.049 2.853 451 H GLN 33 H GLN 33 -5.164 5.428 4.062 452 H GLN 33 H GLN 33 -4.887 5.206 2.931 453 HA GLN 33 HA GLN 33 -3.664 4.468 6.388 454 HA GLN 33 HA GLN 33 -3.270 4.277 5.095 455 HB2 GLN 33 HB2 GLN 33 -6.408 3.879 5.859 456 HB2 GLN 33 HB2 GLN 33 -5.424 4.365 6.252 457 HB3 GLN 33 HB3 GLN 33 -5.470 2.409 5.627 458 HB3 GLN 33 HB3 GLN 33 -6.156 3.385 4.991 459 HG2 GLN 33 HG2 GLN 33 -5.016 2.194 7.812 460 HG2 GLN 33 HG2 GLN 33 -4.884 1.481 5.609 461 HG3 GLN 33 HG3 GLN 33 -4.812 3.929 8.048 462 HG3 GLN 33 HG3 GLN 33 -3.867 2.435 6.687 463 HE21 GLN 33 HE21 GLN 33 -7.570 2.096 6.814 464 HE21 GLN 33 HE21 GLN 33 -6.917 0.862 6.269 465 HE22 GLN 33 HE22 GLN 33 -8.685 2.616 8.026 466 HE22 GLN 33 HE22 GLN 33 -7.456 1.009 7.905 467 H PHE 34 H PHE 34 -3.056 2.043 5.954 468 H PHE 34 H PHE 34 -2.197 2.459 4.536 469 HA PHE 34 HA PHE 34 -2.317 1.736 3.123 470 HA PHE 34 HA PHE 34 -2.491 1.485 1.862 471 HB2 PHE 34 HB2 PHE 34 -0.555 2.191 5.328 472 HB2 PHE 34 HB2 PHE 34 -0.738 0.469 4.109 473 HB3 PHE 34 HB3 PHE 34 -0.285 0.558 4.725 474 HB3 PHE 34 HB3 PHE 34 -0.591 0.028 2.410 475 HD1 PHE 34 HD1 PHE 34 1.354 0.337 3.149 476 HD1 PHE 34 HD1 PHE 34 0.771 1.999 4.880 477 HD2 PHE 34 HD2 PHE 34 -0.865 3.967 3.308 478 HD2 PHE 34 HD2 PHE 34 -0.479 2.214 0.817 479 HE1 PHE 34 HE1 PHE 34 2.709 1.243 1.305 480 HE1 PHE 34 HE1 PHE 34 2.281 3.908 4.521 481 HE2 PHE 34 HE2 PHE 34 0.485 4.877 1.464 482 HE2 PHE 34 HE2 PHE 34 1.031 4.123 0.451 483 HZ PHE 34 HZ PHE 34 2.275 3.515 0.459 484 HZ PHE 34 HZ PHE 34 2.414 4.972 2.304 485 H GLU 35 H GLU 35 -4.486 0.541 4.635 486 H GLU 35 H GLU 35 -3.256 0.278 5.077 487 HA GLU 35 HA GLU 35 -3.879 -2.240 4.063 488 HA GLU 35 HA GLU 35 -4.081 -2.309 4.094 489 HB2 GLU 35 HB2 GLU 35 -4.413 -1.177 6.795 490 HB2 GLU 35 HB2 GLU 35 -4.661 -1.178 6.824 491 HB3 GLU 35 HB3 GLU 35 -5.131 -2.722 6.362 492 HB3 GLU 35 HB3 GLU 35 -4.533 -2.866 6.355 493 HG2 GLU 35 HG2 GLU 35 -3.162 -3.411 7.283 494 HG2 GLU 35 HG2 GLU 35 -2.514 -2.635 7.339 495 HG3 GLU 35 HG3 GLU 35 -2.705 -3.298 5.584 496 HG3 GLU 35 HG3 GLU 35 -2.073 -2.105 5.718 497 H ARG 36 H ARG 36 -5.896 -3.612 4.287 498 H ARG 36 H ARG 36 -6.120 -3.011 3.710 499 HA ARG 36 HA ARG 36 -7.961 -2.499 2.747 500 HA ARG 36 HA ARG 36 -8.118 -1.150 3.047 501 HB2 ARG 36 HB2 ARG 36 -7.324 -4.961 3.029 502 HB2 ARG 36 HB2 ARG 36 -7.877 -3.461 2.099 503 HB3 ARG 36 HB3 ARG 36 -8.278 -4.923 4.505 504 HB3 ARG 36 HB3 ARG 36 -8.512 -4.091 3.613 505 HG2 ARG 36 HG2 ARG 36 -9.678 -5.788 2.813 506 HG2 ARG 36 HG2 ARG 36 -10.484 -2.426 3.080 507 HG3 ARG 36 HG3 ARG 36 -10.213 -4.132 3.110 508 HG3 ARG 36 HG3 ARG 36 -9.899 -2.634 1.429 509 HD2 ARG 36 HD2 ARG 36 -10.159 -4.137 0.821 510 HD2 ARG 36 HD2 ARG 36 -11.116 -4.623 3.285 511 HD3 ARG 36 HD3 ARG 36 -8.519 -3.593 1.171 512 HD3 ARG 36 HD3 ARG 36 -11.441 -4.334 1.578 513 HE ARG 36 HE ARG 36 -8.220 -6.259 1.015 514 HE ARG 36 HE ARG 36 -9.580 -6.177 2.656 515 HH11 ARG 36 HH11 ARG 36 -9.770 -3.948 -1.077 516 HH11 ARG 36 HH11 ARG 36 -10.038 -3.956 0.016 517 HH12 ARG 36 HH12 ARG 36 -9.458 -4.850 -2.522 518 HH12 ARG 36 HH12 ARG 36 -8.997 -4.821 -1.065 519 HH21 ARG 36 HH21 ARG 36 -7.801 -7.455 -0.881 520 HH21 ARG 36 HH21 ARG 36 -8.207 -7.327 1.241 521 HH22 ARG 36 HH22 ARG 36 -8.338 -6.845 -2.410 522 HH22 ARG 36 HH22 ARG 36 -7.957 -6.739 -0.368 523 HA PRO 37 HA PRO 37 -9.967 -0.295 6.099 524 HA PRO 37 HA PRO 37 -9.550 -0.439 7.236 525 HB2 PRO 37 HB2 PRO 37 -11.780 0.954 4.509 526 HB2 PRO 37 HB2 PRO 37 -11.288 1.534 6.561 527 HB3 PRO 37 HB3 PRO 37 -10.104 1.493 4.663 528 HB3 PRO 37 HB3 PRO 37 -9.547 1.799 6.713 529 HG2 PRO 37 HG2 PRO 37 -11.372 -0.161 2.516 530 HG2 PRO 37 HG2 PRO 37 -11.188 1.359 4.247 531 HG3 PRO 37 HG3 PRO 37 -10.219 1.177 2.362 532 HG3 PRO 37 HG3 PRO 37 -9.876 2.520 4.528 533 HD2 PRO 37 HD2 PRO 37 -9.468 -1.419 2.191 534 HD2 PRO 37 HD2 PRO 37 -9.502 0.196 3.187 535 HD3 PRO 37 HD3 PRO 37 -8.408 -0.161 2.856 536 HD3 PRO 37 HD3 PRO 37 -8.234 0.941 4.181 537 H SER 38 H SER 38 -11.432 -1.193 7.394 538 H SER 38 H SER 38 -11.540 -0.701 8.361 539 HA SER 38 HA SER 38 -13.180 -3.262 6.520 540 HA SER 38 HA SER 38 -13.549 -2.217 6.831 541 HB2 SER 38 HB2 SER 38 -14.054 -3.177 8.849 542 HB2 SER 38 HB2 SER 38 -12.273 -3.430 8.653 543 HB3 SER 38 HB3 SER 38 -12.294 -3.280 8.784 544 HB3 SER 38 HB3 SER 38 -13.076 -2.373 9.814 545 HG SER 38 HG SER 38 -13.700 -1.498 10.055 546 HG SER 38 HG SER 38 -14.607 -3.794 7.937 547 H GLY 39 H GLY 39 -14.124 -0.290 8.245 548 H GLY 39 H GLY 39 -15.793 -2.090 7.709 549 HA2 GLY 39 HA2 GLY 39 -15.650 1.147 6.694 550 HA2 GLY 39 HA2 GLY 39 -17.655 -0.804 8.096 551 HA3 GLY 39 HA3 GLY 39 -16.637 -0.307 6.728 552 HA3 GLY 39 HA3 GLY 39 -16.736 -0.156 9.447 Start of MODEL 8 1 H1 SER 5 H SER 5 -12.735 -3.951 -8.438 2 H1 SER 5 H SER 5 -14.274 -3.484 -7.857 3 HA SER 5 HA SER 5 -11.616 -2.525 -6.727 4 HA SER 5 HA SER 5 -11.748 -4.213 -6.576 5 HB2 SER 5 HB2 SER 5 -12.919 -0.517 -7.667 6 HB2 SER 5 HB2 SER 5 -11.639 -1.801 -5.967 7 HB3 SER 5 HB3 SER 5 -14.250 -1.059 -6.645 8 HB3 SER 5 HB3 SER 5 -11.771 -2.062 -7.707 9 HG SER 5 HG SER 5 -13.113 0.353 -5.416 10 HG SER 5 HG SER 5 -13.951 -1.534 -7.584 11 H LYS 6 H LYS 6 -12.160 -2.643 -4.420 12 H LYS 6 H LYS 6 -12.196 -5.453 -4.831 13 HA LYS 6 HA LYS 6 -14.480 -4.283 -3.753 14 HA LYS 6 HA LYS 6 -14.413 -5.085 -3.112 15 HB2 LYS 6 HB2 LYS 6 -11.725 -5.105 -2.838 16 HB2 LYS 6 HB2 LYS 6 -13.124 -6.605 -1.570 17 HB3 LYS 6 HB3 LYS 6 -13.232 -5.996 -2.665 18 HB3 LYS 6 HB3 LYS 6 -13.398 -7.240 -3.187 19 HG2 LYS 6 HG2 LYS 6 -13.303 -6.162 -5.170 20 HG2 LYS 6 HG2 LYS 6 -10.943 -5.859 -3.257 21 HG3 LYS 6 HG3 LYS 6 -11.663 -5.505 -5.182 22 HG3 LYS 6 HG3 LYS 6 -10.940 -6.850 -1.797 23 HD2 LYS 6 HD2 LYS 6 -10.971 -7.384 -3.701 24 HD2 LYS 6 HD2 LYS 6 -10.264 -8.488 -3.183 25 HD3 LYS 6 HD3 LYS 6 -12.590 -8.063 -3.875 26 HD3 LYS 6 HD3 LYS 6 -11.972 -8.589 -3.614 27 HE2 LYS 6 HE2 LYS 6 -11.715 -9.172 -5.617 28 HE2 LYS 6 HE2 LYS 6 -11.614 -7.765 -5.670 29 HE3 LYS 6 HE3 LYS 6 -11.882 -7.639 -6.474 30 HE3 LYS 6 HE3 LYS 6 -10.495 -6.536 -5.084 31 HZ1 LYS 6 HZ1 LYS 6 -9.593 -7.103 -5.784 32 HZ1 LYS 6 HZ1 LYS 6 -9.389 -9.162 -4.914 33 HZ2 LYS 6 HZ2 LYS 6 -9.672 -8.476 -6.768 34 HZ2 LYS 6 HZ2 LYS 6 -8.763 -7.778 -5.656 35 HZ3 LYS 6 HZ3 LYS 6 -9.448 -8.643 -5.100 36 HZ3 LYS 6 HZ3 LYS 6 -9.836 -8.778 -6.499 37 H LEU 7 H LEU 7 -14.296 -1.677 -3.135 38 H LEU 7 H LEU 7 -14.693 -3.278 -1.972 39 HA LEU 7 HA LEU 7 -13.610 -1.680 -0.267 40 HA LEU 7 HA LEU 7 -12.968 -2.580 0.142 41 HB2 LEU 7 HB2 LEU 7 -13.229 0.382 -2.384 42 HB2 LEU 7 HB2 LEU 7 -12.050 -0.523 -0.571 43 HB3 LEU 7 HB3 LEU 7 -13.551 0.911 -0.732 44 HB3 LEU 7 HB3 LEU 7 -11.666 -1.712 -1.813 45 HG LEU 7 HG LEU 7 -11.541 -0.070 0.065 46 HG LEU 7 HG LEU 7 -14.086 -0.459 -2.574 47 HD11 LEU 7 HD11 LEU 7 -11.289 -2.128 -0.922 48 HD11 LEU 7 HD11 LEU 7 -11.973 1.619 -2.140 49 HD12 LEU 7 HD12 LEU 7 -10.034 -1.201 -1.743 50 HD12 LEU 7 HD12 LEU 7 -13.199 1.297 -0.914 51 HD13 LEU 7 HD13 LEU 7 -11.573 -1.507 -2.547 52 HD13 LEU 7 HD13 LEU 7 -13.682 1.828 -2.524 53 HD21 LEU 7 HD21 LEU 7 -9.935 0.857 -1.914 54 HD21 LEU 7 HD21 LEU 7 -11.271 -0.156 -3.617 55 HD22 LEU 7 HD22 LEU 7 -10.721 1.874 -0.706 56 HD22 LEU 7 HD22 LEU 7 -12.748 0.262 -4.488 57 HD23 LEU 7 HD23 LEU 7 -11.453 1.670 -2.298 58 HD23 LEU 7 HD23 LEU 7 -12.414 -1.419 -4.072 59 HA PRO 8 HA PRO 8 -17.763 -0.643 0.693 60 HA PRO 8 HA PRO 8 -16.633 -0.614 1.548 61 HB2 PRO 8 HB2 PRO 8 -17.447 1.057 2.787 62 HB2 PRO 8 HB2 PRO 8 -15.629 1.284 3.208 63 HB3 PRO 8 HB3 PRO 8 -17.150 -0.680 2.907 64 HB3 PRO 8 HB3 PRO 8 -15.617 -0.440 3.601 65 HG2 PRO 8 HG2 PRO 8 -15.193 1.555 2.541 66 HG2 PRO 8 HG2 PRO 8 -13.414 1.268 2.512 67 HG3 PRO 8 HG3 PRO 8 -15.084 0.133 3.595 68 HG3 PRO 8 HG3 PRO 8 -13.346 0.032 3.779 69 HD2 PRO 8 HD2 PRO 8 -13.806 0.284 1.211 70 HD2 PRO 8 HD2 PRO 8 -12.549 -0.444 1.236 71 HD3 PRO 8 HD3 PRO 8 -14.414 -1.246 1.874 72 HD3 PRO 8 HD3 PRO 8 -13.273 -1.701 2.262 73 HA PRO 9 HA PRO 9 -19.115 3.163 -1.043 74 HA PRO 9 HA PRO 9 -17.527 2.950 -0.874 75 HB2 PRO 9 HB2 PRO 9 -21.120 3.956 0.605 76 HB2 PRO 9 HB2 PRO 9 -19.520 4.072 0.589 77 HB3 PRO 9 HB3 PRO 9 -21.269 2.581 -0.495 78 HB3 PRO 9 HB3 PRO 9 -19.736 2.594 -0.356 79 HG2 PRO 9 HG2 PRO 9 -20.667 2.605 2.438 80 HG2 PRO 9 HG2 PRO 9 -19.235 2.910 2.578 81 HG3 PRO 9 HG3 PRO 9 -21.750 1.537 1.526 82 HG3 PRO 9 HG3 PRO 9 -20.367 1.827 1.745 83 HD2 PRO 9 HD2 PRO 9 -19.264 0.783 2.290 84 HD2 PRO 9 HD2 PRO 9 -17.974 0.985 2.694 85 HD3 PRO 9 HD3 PRO 9 -20.022 0.201 0.793 86 HD3 PRO 9 HD3 PRO 9 -18.723 0.292 1.241 87 H GLY 10 H GLY 10 -17.803 4.889 -1.022 88 H GLY 10 H GLY 10 -17.059 5.124 -1.043 89 HA2 GLY 10 HA2 GLY 10 -17.713 7.166 -0.009 90 HA2 GLY 10 HA2 GLY 10 -16.556 7.284 -0.244 91 HA3 GLY 10 HA3 GLY 10 -17.490 6.346 1.530 92 HA3 GLY 10 HA3 GLY 10 -16.361 6.617 1.370 93 H TRP 11 H TRP 11 -15.746 4.317 0.149 94 H TRP 11 H TRP 11 -14.610 4.454 0.453 95 HA TRP 11 HA TRP 11 -13.293 5.899 0.306 96 HA TRP 11 HA TRP 11 -12.146 5.991 0.421 97 HB2 TRP 11 HB2 TRP 11 -13.928 2.981 0.578 98 HB2 TRP 11 HB2 TRP 11 -12.548 2.995 0.580 99 HB3 TRP 11 HB3 TRP 11 -12.283 3.487 0.205 100 HB3 TRP 11 HB3 TRP 11 -11.041 3.861 0.868 101 HD1 TRP 11 HD1 TRP 11 -14.917 3.709 2.991 102 HD1 TRP 11 HD1 TRP 11 -14.529 3.373 2.441 103 HE1 TRP 11 HE1 TRP 11 -13.722 4.290 5.195 104 HE1 TRP 11 HE1 TRP 11 -14.352 3.872 4.960 105 HE3 TRP 11 HE3 TRP 11 -10.217 4.564 1.167 106 HE3 TRP 11 HE3 TRP 11 -9.689 5.014 2.605 107 HZ2 TRP 11 HZ2 TRP 11 -11.131 5.017 6.048 108 HZ2 TRP 11 HZ2 TRP 11 -12.416 4.832 6.777 109 HZ3 TRP 11 HZ3 TRP 11 -8.439 5.200 2.743 110 HZ3 TRP 11 HZ3 TRP 11 -8.751 5.705 4.772 111 HH2 TRP 11 HH2 TRP 11 -8.887 5.421 5.133 112 HH2 TRP 11 HH2 TRP 11 -10.088 5.615 6.813 113 H GLU 12 H GLU 12 -11.569 5.556 -1.243 114 H GLU 12 H GLU 12 -10.714 6.103 -1.232 115 HA GLU 12 HA GLU 12 -12.470 4.592 -3.868 116 HA GLU 12 HA GLU 12 -11.512 4.812 -3.754 117 HB2 GLU 12 HB2 GLU 12 -12.711 7.022 -3.881 118 HB2 GLU 12 HB2 GLU 12 -9.710 7.214 -3.463 119 HB3 GLU 12 HB3 GLU 12 -11.049 7.210 -3.340 120 HB3 GLU 12 HB3 GLU 12 -10.471 6.613 -4.928 121 HG2 GLU 12 HG2 GLU 12 -10.319 6.083 -5.444 122 HG2 GLU 12 HG2 GLU 12 -12.666 7.071 -3.496 123 HG3 GLU 12 HG3 GLU 12 -11.995 6.140 -5.986 124 HG3 GLU 12 HG3 GLU 12 -11.596 8.247 -2.737 125 H LYS 13 H LYS 13 -11.133 3.070 -4.553 126 H LYS 13 H LYS 13 -10.056 3.636 -4.926 127 HA LYS 13 HA LYS 13 -8.533 2.714 -3.381 128 HA LYS 13 HA LYS 13 -7.517 3.027 -3.574 129 HB2 LYS 13 HB2 LYS 13 -9.830 0.751 -3.893 130 HB2 LYS 13 HB2 LYS 13 -9.328 1.230 -4.096 131 HB3 LYS 13 HB3 LYS 13 -9.993 1.239 -5.574 132 HB3 LYS 13 HB3 LYS 13 -8.718 1.335 -5.743 133 HG2 LYS 13 HG2 LYS 13 -7.845 0.628 -6.106 134 HG2 LYS 13 HG2 LYS 13 -6.757 0.320 -5.232 135 HG3 LYS 13 HG3 LYS 13 -7.269 0.815 -4.448 136 HG3 LYS 13 HG3 LYS 13 -6.725 0.962 -3.586 137 HD2 LYS 13 HD2 LYS 13 -8.407 -1.202 -3.775 138 HD2 LYS 13 HD2 LYS 13 -7.319 -1.103 -2.958 139 HD3 LYS 13 HD3 LYS 13 -9.154 -1.354 -5.367 140 HD3 LYS 13 HD3 LYS 13 -8.927 -0.675 -3.545 141 HE2 LYS 13 HE2 LYS 13 -7.255 -2.144 -6.331 142 HE2 LYS 13 HE2 LYS 13 -6.905 -1.749 -5.459 143 HE3 LYS 13 HE3 LYS 13 -6.202 -1.184 -5.293 144 HE3 LYS 13 HE3 LYS 13 -7.737 -2.858 -4.373 145 HZ1 LYS 13 HZ1 LYS 13 -6.736 -2.735 -3.469 146 HZ1 LYS 13 HZ1 LYS 13 -8.834 -1.227 -6.555 147 HZ2 LYS 13 HZ2 LYS 13 -5.941 -3.486 -4.758 148 HZ2 LYS 13 HZ2 LYS 13 -9.834 -1.637 -5.254 149 HZ3 LYS 13 HZ3 LYS 13 -7.606 -3.694 -4.558 150 HZ3 LYS 13 HZ3 LYS 13 -9.117 -2.854 -6.186 151 H ARG 14 H ARG 14 -6.785 3.769 -4.027 152 H ARG 14 H ARG 14 -5.769 3.921 -4.427 153 HA ARG 14 HA ARG 14 -6.591 4.572 -6.856 154 HA ARG 14 HA ARG 14 -5.593 4.165 -7.350 155 HB2 ARG 14 HB2 ARG 14 -5.290 5.895 -4.469 156 HB2 ARG 14 HB2 ARG 14 -4.406 6.271 -5.574 157 HB3 ARG 14 HB3 ARG 14 -5.200 6.441 -6.139 158 HB3 ARG 14 HB3 ARG 14 -4.828 6.367 -7.279 159 HG2 ARG 14 HG2 ARG 14 -7.931 6.135 -5.150 160 HG2 ARG 14 HG2 ARG 14 -7.259 5.911 -6.125 161 HG3 ARG 14 HG3 ARG 14 -6.977 7.334 -4.272 162 HG3 ARG 14 HG3 ARG 14 -6.447 6.898 -4.907 163 HD2 ARG 14 HD2 ARG 14 -8.083 8.443 -6.079 164 HD2 ARG 14 HD2 ARG 14 -6.132 8.678 -6.402 165 HD3 ARG 14 HD3 ARG 14 -6.365 8.349 -6.464 166 HD3 ARG 14 HD3 ARG 14 -6.455 7.665 -7.809 167 HE ARG 14 HE ARG 14 -7.338 6.167 -7.684 168 HE ARG 14 HE ARG 14 -8.394 8.972 -6.121 169 HH11 ARG 14 HH11 ARG 14 -8.365 9.492 -7.682 170 HH11 ARG 14 HH11 ARG 14 -7.817 6.431 -8.431 171 HH12 ARG 14 HH12 ARG 14 -9.018 9.428 -9.286 172 HH12 ARG 14 HH12 ARG 14 -9.473 6.331 -8.930 173 HH21 ARG 14 HH21 ARG 14 -8.193 6.070 -9.796 174 HH21 ARG 14 HH21 ARG 14 -10.578 8.849 -6.769 175 HH22 ARG 14 HH22 ARG 14 -8.921 7.481 -10.487 176 HH22 ARG 14 HH22 ARG 14 -11.043 7.705 -7.984 177 H MET 15 H MET 15 -4.264 4.851 -7.588 178 H MET 15 H MET 15 -3.523 3.954 -8.231 179 HA MET 15 HA MET 15 -2.498 2.852 -6.356 180 HA MET 15 HA MET 15 -1.467 2.982 -6.356 181 HB2 MET 15 HB2 MET 15 -3.841 2.196 -8.558 182 HB2 MET 15 HB2 MET 15 -2.672 1.363 -8.070 183 HB3 MET 15 HB3 MET 15 -2.525 3.071 -9.325 184 HB3 MET 15 HB3 MET 15 -1.511 2.056 -9.194 185 HG2 MET 15 HG2 MET 15 -1.548 1.221 -7.335 186 HG2 MET 15 HG2 MET 15 0.250 1.021 -8.235 187 HG3 MET 15 HG3 MET 15 -2.535 0.412 -8.550 188 HG3 MET 15 HG3 MET 15 -0.437 1.106 -6.616 189 HE1 MET 15 HE1 MET 15 -0.910 -0.995 -9.098 190 HE1 MET 15 HE1 MET 15 -1.379 -1.920 -9.891 191 HE2 MET 15 HE2 MET 15 -0.598 -0.661 -10.801 192 HE2 MET 15 HE2 MET 15 -0.690 -0.304 -10.050 193 HE3 MET 15 HE3 MET 15 0.735 -0.674 -9.645 194 HE3 MET 15 HE3 MET 15 0.312 -1.637 -9.473 195 H SER 16 H SER 16 -0.293 3.248 -6.540 196 H SER 16 H SER 16 0.285 4.209 -6.294 197 HA SER 16 HA SER 16 0.390 5.957 -7.477 198 HA SER 16 HA SER 16 0.734 6.447 -7.867 199 HB2 SER 16 HB2 SER 16 0.887 5.992 -5.209 200 HB2 SER 16 HB2 SER 16 2.035 5.154 -5.716 201 HB3 SER 16 HB3 SER 16 1.367 4.294 -5.184 202 HB3 SER 16 HB3 SER 16 3.253 5.387 -6.970 203 HG SER 16 HG SER 16 3.327 4.976 -5.424 204 HG SER 16 HG SER 16 3.189 7.230 -5.718 205 H ARG 17 H ARG 17 1.596 6.077 -9.239 206 H ARG 17 H ARG 17 2.925 6.722 -9.110 207 HA ARG 17 HA ARG 17 2.689 3.803 -10.515 208 HA ARG 17 HA ARG 17 2.763 4.936 -11.378 209 HB2 ARG 17 HB2 ARG 17 3.595 5.363 -12.139 210 HB2 ARG 17 HB2 ARG 17 2.946 7.321 -11.790 211 HB3 ARG 17 HB3 ARG 17 1.948 5.821 -11.727 212 HB3 ARG 17 HB3 ARG 17 4.445 7.395 -10.874 213 HG2 ARG 17 HG2 ARG 17 2.577 7.791 -10.868 214 HG2 ARG 17 HG2 ARG 17 5.362 5.740 -12.596 215 HG3 ARG 17 HG3 ARG 17 4.009 7.110 -10.091 216 HG3 ARG 17 HG3 ARG 17 3.949 6.169 -13.562 217 HD2 ARG 17 HD2 ARG 17 4.404 8.798 -11.948 218 HD2 ARG 17 HD2 ARG 17 6.184 7.952 -12.632 219 HD3 ARG 17 HD3 ARG 17 5.284 7.273 -12.059 220 HD3 ARG 17 HD3 ARG 17 5.701 7.582 -14.285 221 HE ARG 17 HE ARG 17 2.830 7.147 -13.483 222 HE ARG 17 HE ARG 17 4.560 9.565 -12.552 223 HH11 ARG 17 HH11 ARG 17 6.068 8.417 -13.652 224 HH11 ARG 17 HH11 ARG 17 3.984 7.491 -15.287 225 HH12 ARG 17 HH12 ARG 17 6.114 8.424 -15.384 226 HH12 ARG 17 HH12 ARG 17 2.728 8.486 -15.945 227 HH21 ARG 17 HH21 ARG 17 2.878 7.153 -15.763 228 HH21 ARG 17 HH21 ARG 17 2.908 10.886 -13.406 229 HH22 ARG 17 HH22 ARG 17 4.298 7.706 -16.585 230 HH22 ARG 17 HH22 ARG 17 2.117 10.417 -14.874 231 H ASN 18 H ASN 18 5.125 4.193 -11.395 232 H ASN 18 H ASN 18 5.682 6.289 -9.874 233 HA ASN 18 HA ASN 18 7.357 4.154 -10.928 234 HA ASN 18 HA ASN 18 7.052 3.760 -10.332 235 HB2 ASN 18 HB2 ASN 18 6.351 6.188 -9.225 236 HB2 ASN 18 HB2 ASN 18 9.065 5.121 -9.517 237 HB3 ASN 18 HB3 ASN 18 7.467 5.219 -8.271 238 HB3 ASN 18 HB3 ASN 18 8.335 5.608 -11.045 239 HD21 ASN 18 HD21 ASN 18 9.609 5.379 -8.628 240 HD21 ASN 18 HD21 ASN 18 9.211 6.556 -7.917 241 HD22 ASN 18 HD22 ASN 18 10.324 6.425 -9.803 242 HD22 ASN 18 HD22 ASN 18 8.530 8.143 -7.944 243 H SER 19 H SER 19 5.979 3.875 -7.657 244 H SER 19 H SER 19 5.589 2.820 -8.610 245 HA SER 19 HA SER 19 7.467 1.398 -7.279 246 HA SER 19 HA SER 19 7.070 2.328 -6.278 247 HB2 SER 19 HB2 SER 19 6.703 1.634 -4.896 248 HB2 SER 19 HB2 SER 19 6.021 3.552 -4.598 249 HB3 SER 19 HB3 SER 19 7.666 2.990 -5.484 250 HB3 SER 19 HB3 SER 19 6.087 4.726 -5.913 251 HG SER 19 HG SER 19 4.892 3.135 -5.764 252 HG SER 19 HG SER 19 4.000 4.444 -4.788 253 H GLY 20 H GLY 20 4.473 2.265 -8.391 254 H GLY 20 H GLY 20 3.919 2.384 -7.837 255 HA2 GLY 20 HA2 GLY 20 2.472 1.165 -8.649 256 HA2 GLY 20 HA2 GLY 20 2.210 0.850 -7.892 257 HA3 GLY 20 HA3 GLY 20 3.454 -0.291 -8.615 258 HA3 GLY 20 HA3 GLY 20 3.475 -0.350 -7.671 259 H ARG 21 H ARG 21 3.314 1.855 -5.877 260 H ARG 21 H ARG 21 2.769 2.148 -5.320 261 HA ARG 21 HA ARG 21 2.342 -0.277 -4.209 262 HA ARG 21 HA ARG 21 2.055 0.055 -3.403 263 HB2 ARG 21 HB2 ARG 21 3.398 2.467 -3.794 264 HB2 ARG 21 HB2 ARG 21 3.487 2.562 -3.257 265 HB3 ARG 21 HB3 ARG 21 2.337 1.828 -2.547 266 HB3 ARG 21 HB3 ARG 21 2.190 2.518 -2.072 267 HG2 ARG 21 HG2 ARG 21 3.835 0.261 -1.873 268 HG2 ARG 21 HG2 ARG 21 3.432 1.258 -0.749 269 HG3 ARG 21 HG3 ARG 21 4.542 0.086 -3.483 270 HG3 ARG 21 HG3 ARG 21 3.526 0.017 -2.002 271 HD2 ARG 21 HD2 ARG 21 6.165 1.121 -2.059 272 HD2 ARG 21 HD2 ARG 21 5.756 0.521 -1.602 273 HD3 ARG 21 HD3 ARG 21 5.578 2.330 -3.201 274 HD3 ARG 21 HD3 ARG 21 5.374 1.507 -3.015 275 HE ARG 21 HE ARG 21 5.009 2.222 -0.332 276 HE ARG 21 HE ARG 21 5.048 2.829 -0.461 277 HH11 ARG 21 HH11 ARG 21 4.668 3.821 -3.406 278 HH11 ARG 21 HH11 ARG 21 7.161 2.150 -3.144 279 HH12 ARG 21 HH12 ARG 21 4.115 5.311 -2.716 280 HH12 ARG 21 HH12 ARG 21 8.185 3.518 -2.853 281 HH21 ARG 21 HH21 ARG 21 4.282 4.178 0.587 282 HH21 ARG 21 HH21 ARG 21 6.387 4.634 -0.069 283 HH22 ARG 21 HH22 ARG 21 3.897 5.514 -0.444 284 HH22 ARG 21 HH22 ARG 21 7.744 4.930 -1.104 285 H VAL 22 H VAL 22 0.430 -0.280 -2.979 286 H VAL 22 H VAL 22 -0.091 -0.274 -4.150 287 HA VAL 22 HA VAL 22 -1.767 1.189 -4.238 288 HA VAL 22 HA VAL 22 -2.018 1.755 -4.424 289 HB VAL 22 HB VAL 22 -1.838 -1.157 -2.335 290 HB VAL 22 HB VAL 22 -2.132 -0.723 -5.161 291 HG11 VAL 22 HG11 VAL 22 -4.219 -1.284 -2.886 292 HG11 VAL 22 HG11 VAL 22 -2.868 -2.328 -3.709 293 HG12 VAL 22 HG12 VAL 22 -3.820 0.253 -2.116 294 HG12 VAL 22 HG12 VAL 22 -1.923 -1.334 -2.599 295 HG13 VAL 22 HG13 VAL 22 -4.073 0.178 -3.860 296 HG13 VAL 22 HG13 VAL 22 -3.677 -1.165 -2.659 297 HG21 VAL 22 HG21 VAL 22 -2.720 -1.282 -5.179 298 HG21 VAL 22 HG21 VAL 22 -4.551 0.623 -3.959 299 HG22 VAL 22 HG22 VAL 22 -0.995 -1.356 -4.817 300 HG22 VAL 22 HG22 VAL 22 -3.892 0.926 -5.567 301 HG23 VAL 22 HG23 VAL 22 -2.092 -2.557 -4.136 302 HG23 VAL 22 HG23 VAL 22 -4.575 -0.652 -5.176 303 H TYR 23 H TYR 23 -3.078 2.583 -3.156 304 H TYR 23 H TYR 23 -3.510 2.619 -3.034 305 HA TYR 23 HA TYR 23 -2.826 2.887 -0.275 306 HA TYR 23 HA TYR 23 -3.574 1.727 -0.262 307 HB2 TYR 23 HB2 TYR 23 -2.216 5.202 -0.323 308 HB2 TYR 23 HB2 TYR 23 -3.195 4.006 0.601 309 HB3 TYR 23 HB3 TYR 23 -1.050 4.333 -1.313 310 HB3 TYR 23 HB3 TYR 23 -1.790 3.390 -0.263 311 HD1 TYR 23 HD1 TYR 23 -0.984 4.640 -3.720 312 HD1 TYR 23 HD1 TYR 23 -4.185 6.040 -0.019 313 HD2 TYR 23 HD2 TYR 23 -3.821 6.728 -1.331 314 HD2 TYR 23 HD2 TYR 23 -1.443 4.156 -2.670 315 HE1 TYR 23 HE1 TYR 23 -1.450 6.152 -5.605 316 HE1 TYR 23 HE1 TYR 23 -4.191 8.046 -1.440 317 HE2 TYR 23 HE2 TYR 23 -4.295 8.244 -3.209 318 HE2 TYR 23 HE2 TYR 23 -1.440 6.159 -4.100 319 HH TYR 23 HH TYR 23 -3.043 7.665 -6.400 320 HH TYR 23 HH TYR 23 -3.589 8.880 -3.452 321 H TYR 24 H TYR 24 -4.689 3.527 0.654 322 H TYR 24 H TYR 24 -5.166 3.307 0.974 323 HA TYR 24 HA TYR 24 -6.934 4.119 -1.136 324 HA TYR 24 HA TYR 24 -7.489 3.732 -0.788 325 HB2 TYR 24 HB2 TYR 24 -7.013 3.345 1.785 326 HB2 TYR 24 HB2 TYR 24 -7.412 2.729 2.061 327 HB3 TYR 24 HB3 TYR 24 -8.379 3.423 0.676 328 HB3 TYR 24 HB3 TYR 24 -8.889 3.194 1.224 329 HD1 TYR 24 HD1 TYR 24 -7.852 1.959 -1.590 330 HD1 TYR 24 HD1 TYR 24 -9.775 1.824 -0.593 331 HD2 TYR 24 HD2 TYR 24 -6.330 1.215 2.312 332 HD2 TYR 24 HD2 TYR 24 -6.266 0.669 1.516 333 HE1 TYR 24 HE1 TYR 24 -7.515 -0.404 -2.181 334 HE1 TYR 24 HE1 TYR 24 -9.969 -0.446 -1.522 335 HE2 TYR 24 HE2 TYR 24 -5.987 -1.151 1.733 336 HE2 TYR 24 HE2 TYR 24 -6.450 -1.602 0.594 337 HH TYR 24 HH TYR 24 -7.245 -2.772 -0.201 338 HH TYR 24 HH TYR 24 -9.237 -2.597 -1.297 339 H PHE 25 H PHE 25 -8.341 5.848 -0.752 340 H PHE 25 H PHE 25 -8.348 5.706 -0.802 341 HA PHE 25 HA PHE 25 -7.421 7.868 1.172 342 HA PHE 25 HA PHE 25 -7.745 7.522 1.432 343 HB2 PHE 25 HB2 PHE 25 -6.636 8.415 -1.142 344 HB2 PHE 25 HB2 PHE 25 -6.362 8.535 -0.069 345 HB3 PHE 25 HB3 PHE 25 -8.320 8.488 -1.648 346 HB3 PHE 25 HB3 PHE 25 -7.214 7.871 -1.460 347 HD1 PHE 25 HD1 PHE 25 -9.266 10.567 -1.772 348 HD1 PHE 25 HD1 PHE 25 -8.469 9.286 -2.766 349 HD2 PHE 25 HD2 PHE 25 -6.153 9.889 1.052 350 HD2 PHE 25 HD2 PHE 25 -7.683 10.355 1.278 351 HE1 PHE 25 HE1 PHE 25 -9.365 12.933 -1.098 352 HE1 PHE 25 HE1 PHE 25 -9.564 11.459 -3.131 353 HE2 PHE 25 HE2 PHE 25 -6.249 12.252 1.729 354 HE2 PHE 25 HE2 PHE 25 -8.779 12.529 0.919 355 HZ PHE 25 HZ PHE 25 -7.856 13.776 0.656 356 HZ PHE 25 HZ PHE 25 -9.722 13.083 -1.287 357 H ASN 26 H ASN 26 -8.995 8.848 2.314 358 H ASN 26 H ASN 26 -9.562 8.145 2.377 359 HA ASN 26 HA ASN 26 -11.770 8.127 1.651 360 HA ASN 26 HA ASN 26 -12.026 8.249 0.776 361 HB2 ASN 26 HB2 ASN 26 -10.967 7.302 3.829 362 HB2 ASN 26 HB2 ASN 26 -12.048 6.705 2.712 363 HB3 ASN 26 HB3 ASN 26 -10.590 8.953 4.315 364 HB3 ASN 26 HB3 ASN 26 -11.718 8.063 3.780 365 HD21 ASN 26 HD21 ASN 26 -13.375 7.474 2.688 366 HD21 ASN 26 HD21 ASN 26 -13.828 6.790 4.492 367 HD22 ASN 26 HD22 ASN 26 -14.553 8.050 3.814 368 HD22 ASN 26 HD22 ASN 26 -15.295 7.562 4.002 369 H HIS 27 H HIS 27 -13.090 9.678 0.981 370 H HIS 27 H HIS 27 -12.545 10.223 0.121 371 HA HIS 27 HA HIS 27 -12.221 12.453 1.126 372 HA HIS 27 HA HIS 27 -11.488 12.599 1.228 373 HB2 HIS 27 HB2 HIS 27 -14.810 11.785 -0.142 374 HB2 HIS 27 HB2 HIS 27 -13.298 13.698 -0.203 375 HB3 HIS 27 HB3 HIS 27 -13.517 12.837 -0.707 376 HB3 HIS 27 HB3 HIS 27 -12.122 12.696 -1.046 377 HD1 HIS 27 HD1 HIS 27 -11.367 11.511 -1.715 378 HD1 HIS 27 HD1 HIS 27 -12.970 10.373 -1.926 379 HD2 HIS 27 HD2 HIS 27 -14.910 9.369 -1.385 380 HD2 HIS 27 HD2 HIS 27 -15.922 12.838 -0.354 381 HE1 HIS 27 HE1 HIS 27 -11.088 9.513 -3.218 382 HE1 HIS 27 HE1 HIS 27 -15.151 9.382 -2.690 383 H ILE 28 H ILE 28 -13.585 10.626 3.299 384 H ILE 28 H ILE 28 -14.007 10.593 2.244 385 HA ILE 28 HA ILE 28 -15.761 12.459 4.017 386 HA ILE 28 HA ILE 28 -15.667 12.610 3.438 387 HB ILE 28 HB ILE 28 -15.076 9.721 5.093 388 HB ILE 28 HB ILE 28 -15.582 9.629 3.922 389 HG12 ILE 28 HG12 ILE 28 -17.285 10.755 3.309 390 HG12 ILE 28 HG12 ILE 28 -17.117 11.385 2.029 391 HG13 ILE 28 HG13 ILE 28 -16.061 9.553 2.914 392 HG13 ILE 28 HG13 ILE 28 -16.244 9.895 1.692 393 HG21 ILE 28 HG21 ILE 28 -17.118 9.887 6.407 394 HG21 ILE 28 HG21 ILE 28 -16.557 10.967 5.783 395 HG22 ILE 28 HG22 ILE 28 -15.992 11.172 6.841 396 HG22 ILE 28 HG22 ILE 28 -17.756 11.584 4.645 397 HG23 ILE 28 HG23 ILE 28 -17.382 11.528 5.815 398 HG23 ILE 28 HG23 ILE 28 -17.698 9.863 5.019 399 HD11 ILE 28 HD11 ILE 28 -18.323 9.234 4.870 400 HD11 ILE 28 HD11 ILE 28 -18.510 9.344 1.529 401 HD12 ILE 28 HD12 ILE 28 -18.174 8.475 3.285 402 HD12 ILE 28 HD12 ILE 28 -18.003 8.732 3.105 403 HD13 ILE 28 HD13 ILE 28 -17.060 8.040 4.580 404 HD13 ILE 28 HD13 ILE 28 -18.920 10.236 2.996 405 H THR 29 H THR 29 -12.750 11.075 5.216 406 H THR 29 H THR 29 -13.294 10.258 4.649 407 HA THR 29 HA THR 29 -12.615 13.238 7.192 408 HA THR 29 HA THR 29 -13.414 11.450 7.306 409 HB THR 29 HB THR 29 -11.915 11.824 8.965 410 HB THR 29 HB THR 29 -11.552 9.635 7.690 411 HG1 THR 29 HG1 THR 29 -11.669 9.533 8.601 412 HG1 THR 29 HG1 THR 29 -11.222 8.378 6.030 413 HG21 THR 29 HG21 THR 29 -14.240 10.523 7.539 414 HG21 THR 29 HG21 THR 29 -13.412 7.899 7.934 415 HG22 THR 29 HG22 THR 29 -14.324 11.861 8.686 416 HG22 THR 29 HG22 THR 29 -14.496 9.146 7.315 417 HG23 THR 29 HG23 THR 29 -13.816 10.263 9.230 418 HG23 THR 29 HG23 THR 29 -13.609 9.413 8.815 419 H ASN 30 H ASN 30 -11.334 12.525 4.544 420 H ASN 30 H ASN 30 -11.447 11.495 4.467 421 HA ASN 30 HA ASN 30 -9.267 12.454 3.563 422 HA ASN 30 HA ASN 30 -9.637 12.754 3.895 423 HB2 ASN 30 HB2 ASN 30 -8.219 14.132 5.808 424 HB2 ASN 30 HB2 ASN 30 -10.937 14.358 5.622 425 HB3 ASN 30 HB3 ASN 30 -7.984 14.311 4.071 426 HB3 ASN 30 HB3 ASN 30 -9.443 14.121 6.522 427 HD21 ASN 30 HD21 ASN 30 -10.482 14.356 3.088 428 HD21 ASN 30 HD21 ASN 30 -7.618 13.958 4.474 429 HD22 ASN 30 HD22 ASN 30 -11.358 15.710 3.708 430 HD22 ASN 30 HD22 ASN 30 -7.529 15.482 3.665 431 H ALA 31 H ALA 31 -9.782 10.364 5.548 432 H ALA 31 H ALA 31 -9.315 10.197 5.079 433 HA ALA 31 HA ALA 31 -7.293 9.939 6.946 434 HA ALA 31 HA ALA 31 -6.595 10.509 6.129 435 HB1 ALA 31 HB1 ALA 31 -8.377 7.687 7.455 436 HB1 ALA 31 HB1 ALA 31 -6.905 9.036 7.930 437 HB2 ALA 31 HB2 ALA 31 -9.167 9.128 8.096 438 HB2 ALA 31 HB2 ALA 31 -8.297 10.119 7.985 439 HB3 ALA 31 HB3 ALA 31 -9.813 8.334 6.660 440 HB3 ALA 31 HB3 ALA 31 -8.471 8.492 7.326 441 H SER 32 H SER 32 -5.632 8.644 6.362 442 H SER 32 H SER 32 -5.227 9.367 4.939 443 HA SER 32 HA SER 32 -5.886 7.176 3.819 444 HA SER 32 HA SER 32 -6.260 7.213 3.252 445 HB2 SER 32 HB2 SER 32 -3.866 9.155 4.703 446 HB2 SER 32 HB2 SER 32 -3.763 7.421 2.381 447 HB3 SER 32 HB3 SER 32 -3.239 7.728 3.878 448 HB3 SER 32 HB3 SER 32 -5.004 8.565 1.874 449 HG SER 32 HG SER 32 -5.090 8.309 2.329 450 HG SER 32 HG SER 32 -3.819 10.054 2.735 451 H GLN 33 H GLN 33 -5.407 5.082 3.917 452 H GLN 33 H GLN 33 -4.956 5.244 2.999 453 HA GLN 33 HA GLN 33 -3.685 4.123 6.098 454 HA GLN 33 HA GLN 33 -2.990 4.492 4.886 455 HB2 GLN 33 HB2 GLN 33 -6.460 3.640 5.834 456 HB2 GLN 33 HB2 GLN 33 -4.301 2.861 6.186 457 HB3 GLN 33 HB3 GLN 33 -5.642 2.137 5.435 458 HB3 GLN 33 HB3 GLN 33 -4.842 4.510 6.461 459 HG2 GLN 33 HG2 GLN 33 -5.173 1.732 7.559 460 HG2 GLN 33 HG2 GLN 33 -6.690 4.136 4.873 461 HG3 GLN 33 HG3 GLN 33 -4.494 3.343 7.785 462 HG3 GLN 33 HG3 GLN 33 -6.172 2.458 4.709 463 HE21 GLN 33 HE21 GLN 33 -7.711 1.943 7.224 464 HE21 GLN 33 HE21 GLN 33 -6.708 1.004 6.252 465 HE22 GLN 33 HE22 GLN 33 -8.497 2.823 8.483 466 HE22 GLN 33 HE22 GLN 33 -7.687 1.371 7.629 467 H PHE 34 H PHE 34 -2.893 1.865 5.692 468 H PHE 34 H PHE 34 -2.033 2.555 4.359 469 HA PHE 34 HA PHE 34 -2.419 1.464 2.811 470 HA PHE 34 HA PHE 34 -2.579 1.534 1.756 471 HB2 PHE 34 HB2 PHE 34 -0.557 1.823 4.961 472 HB2 PHE 34 HB2 PHE 34 -0.771 0.347 3.870 473 HB3 PHE 34 HB3 PHE 34 -0.359 0.206 4.295 474 HB3 PHE 34 HB3 PHE 34 -0.705 0.051 2.136 475 HD1 PHE 34 HD1 PHE 34 0.065 -0.046 1.831 476 HD1 PHE 34 HD1 PHE 34 -0.390 2.223 0.672 477 HD2 PHE 34 HD2 PHE 34 0.242 3.711 3.825 478 HD2 PHE 34 HD2 PHE 34 0.681 1.874 4.776 479 HE1 PHE 34 HE1 PHE 34 1.363 0.882 -0.040 480 HE1 PHE 34 HE1 PHE 34 1.194 4.089 0.412 481 HE2 PHE 34 HE2 PHE 34 1.540 4.646 1.957 482 HE2 PHE 34 HE2 PHE 34 2.264 3.741 4.525 483 HZ PHE 34 HZ PHE 34 2.104 3.231 0.020 484 HZ PHE 34 HZ PHE 34 2.523 4.850 2.341 485 H GLU 35 H GLU 35 -4.524 0.328 4.537 486 H GLU 35 H GLU 35 -3.238 0.437 5.029 487 HA GLU 35 HA GLU 35 -4.069 -2.464 3.854 488 HA GLU 35 HA GLU 35 -4.160 -2.157 4.243 489 HB2 GLU 35 HB2 GLU 35 -4.284 -1.423 6.622 490 HB2 GLU 35 HB2 GLU 35 -4.547 -0.616 6.815 491 HB3 GLU 35 HB3 GLU 35 -5.198 -2.880 6.259 492 HB3 GLU 35 HB3 GLU 35 -4.985 -2.302 6.580 493 HG2 GLU 35 HG2 GLU 35 -3.209 -3.740 7.014 494 HG2 GLU 35 HG2 GLU 35 -2.930 -2.380 7.668 495 HG3 GLU 35 HG3 GLU 35 -2.964 -3.735 5.268 496 HG3 GLU 35 HG3 GLU 35 -2.542 -2.683 5.974 497 H ARG 36 H ARG 36 -6.049 -3.750 3.930 498 H ARG 36 H ARG 36 -6.315 -2.930 4.300 499 HA ARG 36 HA ARG 36 -8.184 -2.571 2.643 500 HA ARG 36 HA ARG 36 -8.235 -0.986 3.337 501 HB2 ARG 36 HB2 ARG 36 -7.638 -5.057 2.919 502 HB2 ARG 36 HB2 ARG 36 -7.865 -3.311 2.352 503 HB3 ARG 36 HB3 ARG 36 -8.501 -4.962 4.449 504 HB3 ARG 36 HB3 ARG 36 -8.712 -3.932 3.763 505 HG2 ARG 36 HG2 ARG 36 -9.946 -5.811 2.704 506 HG2 ARG 36 HG2 ARG 36 -10.608 -2.354 3.099 507 HG3 ARG 36 HG3 ARG 36 -10.516 -4.238 3.265 508 HG3 ARG 36 HG3 ARG 36 -9.772 -2.210 1.551 509 HD2 ARG 36 HD2 ARG 36 -10.399 -3.435 1.200 510 HD2 ARG 36 HD2 ARG 36 -10.836 -4.729 2.822 511 HD3 ARG 36 HD3 ARG 36 -8.682 -3.836 1.123 512 HD3 ARG 36 HD3 ARG 36 -11.451 -3.925 1.379 513 HE ARG 36 HE ARG 36 -9.223 -5.577 -0.240 514 HE ARG 36 HE ARG 36 -8.784 -4.540 0.904 515 HH11 ARG 36 HH11 ARG 36 -12.043 -4.707 1.604 516 HH11 ARG 36 HH11 ARG 36 -11.774 -6.219 1.505 517 HH12 ARG 36 HH12 ARG 36 -13.084 -5.829 0.791 518 HH12 ARG 36 HH12 ARG 36 -11.322 -7.621 0.594 519 HH21 ARG 36 HH21 ARG 36 -10.581 -7.059 -1.319 520 HH21 ARG 36 HH21 ARG 36 -8.177 -6.380 -0.300 521 HH22 ARG 36 HH22 ARG 36 -12.249 -7.168 -0.869 522 HH22 ARG 36 HH22 ARG 36 -9.275 -7.712 -0.432 523 HA PRO 37 HA PRO 37 -9.850 -0.255 6.119 524 HA PRO 37 HA PRO 37 -9.901 -0.477 7.454 525 HB2 PRO 37 HB2 PRO 37 -11.612 1.166 4.621 526 HB2 PRO 37 HB2 PRO 37 -11.762 1.369 6.746 527 HB3 PRO 37 HB3 PRO 37 -9.894 1.568 4.720 528 HB3 PRO 37 HB3 PRO 37 -10.053 1.762 6.957 529 HG2 PRO 37 HG2 PRO 37 -11.366 0.064 2.591 530 HG2 PRO 37 HG2 PRO 37 -11.579 1.232 4.436 531 HG3 PRO 37 HG3 PRO 37 -10.116 1.310 2.421 532 HG3 PRO 37 HG3 PRO 37 -10.369 2.486 4.770 533 HD2 PRO 37 HD2 PRO 37 -9.581 -1.333 2.173 534 HD2 PRO 37 HD2 PRO 37 -9.781 0.217 3.416 535 HD3 PRO 37 HD3 PRO 37 -8.400 -0.176 2.821 536 HD3 PRO 37 HD3 PRO 37 -8.601 1.040 4.457 537 H SER 38 H SER 38 -11.046 -1.639 7.330 538 H SER 38 H SER 38 -11.294 -1.844 8.355 539 HA SER 38 HA SER 38 -13.199 -3.192 6.351 540 HA SER 38 HA SER 38 -13.713 -2.592 6.845 541 HB2 SER 38 HB2 SER 38 -13.695 -3.595 8.764 542 HB2 SER 38 HB2 SER 38 -12.034 -4.438 7.132 543 HB3 SER 38 HB3 SER 38 -12.006 -3.879 8.348 544 HB3 SER 38 HB3 SER 38 -12.272 -4.312 8.874 545 HG SER 38 HG SER 38 -11.416 -2.166 9.481 546 HG SER 38 HG SER 38 -13.987 -5.482 8.646 547 H GLY 39 H GLY 39 -13.437 -0.654 8.844 548 H GLY 39 H GLY 39 -14.538 -0.602 7.963 549 HA2 GLY 39 HA2 GLY 39 -14.986 1.248 7.929 550 HA2 GLY 39 HA2 GLY 39 -16.159 0.123 9.451 551 HA3 GLY 39 HA3 GLY 39 -16.146 -0.073 7.890 552 HA3 GLY 39 HA3 GLY 39 -16.027 -1.413 10.294 Start of MODEL 9 1 H1 SER 5 H SER 5 -10.328 -3.050 -7.935 2 H1 SER 5 H SER 5 -11.043 -4.586 -7.118 3 HA SER 5 HA SER 5 -12.748 -1.717 -7.239 4 HA SER 5 HA SER 5 -12.692 -2.415 -6.661 5 HB2 SER 5 HB2 SER 5 -12.097 -4.000 -9.101 6 HB2 SER 5 HB2 SER 5 -13.274 -5.273 -7.395 7 HB3 SER 5 HB3 SER 5 -13.752 -3.446 -8.852 8 HB3 SER 5 HB3 SER 5 -14.583 -4.112 -7.178 9 HG SER 5 HG SER 5 -11.791 -1.546 -9.455 10 HG SER 5 HG SER 5 -12.403 -3.462 -8.827 11 H LYS 6 H LYS 6 -12.020 -2.716 -4.899 12 H LYS 6 H LYS 6 -12.273 -5.333 -4.748 13 HA LYS 6 HA LYS 6 -14.161 -4.551 -4.282 14 HA LYS 6 HA LYS 6 -14.473 -4.939 -3.014 15 HB2 LYS 6 HB2 LYS 6 -11.272 -5.335 -4.054 16 HB2 LYS 6 HB2 LYS 6 -11.903 -6.372 -2.343 17 HB3 LYS 6 HB3 LYS 6 -12.470 -6.010 -2.955 18 HB3 LYS 6 HB3 LYS 6 -13.490 -6.634 -1.633 19 HG2 LYS 6 HG2 LYS 6 -13.759 -6.672 -5.064 20 HG2 LYS 6 HG2 LYS 6 -14.309 -7.502 -3.757 21 HG3 LYS 6 HG3 LYS 6 -12.254 -6.342 -5.925 22 HG3 LYS 6 HG3 LYS 6 -12.727 -7.217 -4.488 23 HD2 LYS 6 HD2 LYS 6 -11.535 -8.375 -5.387 24 HD2 LYS 6 HD2 LYS 6 -12.146 -9.267 -3.847 25 HD3 LYS 6 HD3 LYS 6 -11.578 -7.915 -3.684 26 HD3 LYS 6 HD3 LYS 6 -12.216 -8.702 -2.176 27 HE2 LYS 6 HE2 LYS 6 -13.070 -9.576 -3.485 28 HE2 LYS 6 HE2 LYS 6 -13.768 -10.298 -1.913 29 HE3 LYS 6 HE3 LYS 6 -14.208 -8.426 -4.186 30 HE3 LYS 6 HE3 LYS 6 -14.849 -9.162 -2.720 31 HZ1 LYS 6 HZ1 LYS 6 -12.868 -9.610 -6.303 32 HZ1 LYS 6 HZ1 LYS 6 -14.879 -11.423 -3.679 33 HZ2 LYS 6 HZ2 LYS 6 -14.481 -9.840 -5.850 34 HZ2 LYS 6 HZ2 LYS 6 -13.260 -11.237 -4.128 35 HZ3 LYS 6 HZ3 LYS 6 -13.279 -10.870 -5.252 36 HZ3 LYS 6 HZ3 LYS 6 -14.444 -10.234 -4.802 37 H LEU 7 H LEU 7 -13.993 -1.961 -3.550 38 H LEU 7 H LEU 7 -14.716 -3.163 -1.820 39 HA LEU 7 HA LEU 7 -13.258 -2.094 -0.700 40 HA LEU 7 HA LEU 7 -12.949 -2.524 0.277 41 HB2 LEU 7 HB2 LEU 7 -12.921 0.063 -2.723 42 HB2 LEU 7 HB2 LEU 7 -12.017 -0.465 -0.413 43 HB3 LEU 7 HB3 LEU 7 -13.242 0.521 -1.052 44 HB3 LEU 7 HB3 LEU 7 -11.665 -1.635 -1.682 45 HG LEU 7 HG LEU 7 -11.219 -0.504 -0.307 46 HG LEU 7 HG LEU 7 -14.080 -0.339 -2.384 47 HD11 LEU 7 HD11 LEU 7 -11.233 -1.742 -3.017 48 HD11 LEU 7 HD11 LEU 7 -13.652 1.938 -2.294 49 HD12 LEU 7 HD12 LEU 7 -10.922 -2.474 -1.444 50 HD12 LEU 7 HD12 LEU 7 -11.937 1.705 -1.959 51 HD13 LEU 7 HD13 LEU 7 -9.694 -1.461 -2.203 52 HD13 LEU 7 HD13 LEU 7 -13.132 1.374 -0.706 53 HD21 LEU 7 HD21 LEU 7 -9.643 0.605 -2.223 54 HD21 LEU 7 HD21 LEU 7 -12.762 0.396 -4.306 55 HD22 LEU 7 HD22 LEU 7 -10.427 1.504 -0.925 56 HD22 LEU 7 HD22 LEU 7 -12.448 -1.298 -3.924 57 HD23 LEU 7 HD23 LEU 7 -11.177 1.419 -2.519 58 HD23 LEU 7 HD23 LEU 7 -11.278 -0.059 -3.467 59 HA PRO 8 HA PRO 8 -17.400 -1.138 0.386 60 HA PRO 8 HA PRO 8 -16.562 -0.533 1.773 61 HB2 PRO 8 HB2 PRO 8 -17.063 0.487 2.533 62 HB2 PRO 8 HB2 PRO 8 -15.508 1.334 3.439 63 HB3 PRO 8 HB3 PRO 8 -16.742 -1.249 2.585 64 HB3 PRO 8 HB3 PRO 8 -15.509 -0.395 3.811 65 HG2 PRO 8 HG2 PRO 8 -14.821 1.024 2.262 66 HG2 PRO 8 HG2 PRO 8 -13.307 1.304 2.704 67 HG3 PRO 8 HG3 PRO 8 -14.671 -0.433 3.260 68 HG3 PRO 8 HG3 PRO 8 -13.232 0.049 3.954 69 HD2 PRO 8 HD2 PRO 8 -13.443 -0.180 0.860 70 HD2 PRO 8 HD2 PRO 8 -12.484 -0.402 1.391 71 HD3 PRO 8 HD3 PRO 8 -14.021 -1.742 1.477 72 HD3 PRO 8 HD3 PRO 8 -13.204 -1.663 2.413 73 HA PRO 9 HA PRO 9 -18.832 2.712 -1.184 74 HA PRO 9 HA PRO 9 -17.481 3.093 -0.543 75 HB2 PRO 9 HB2 PRO 9 -20.819 3.414 0.525 76 HB2 PRO 9 HB2 PRO 9 -19.354 4.271 1.033 77 HB3 PRO 9 HB3 PRO 9 -20.967 2.078 -0.624 78 HB3 PRO 9 HB3 PRO 9 -19.670 2.806 0.096 79 HG2 PRO 9 HG2 PRO 9 -20.315 2.000 2.298 80 HG2 PRO 9 HG2 PRO 9 -18.998 3.088 2.998 81 HG3 PRO 9 HG3 PRO 9 -21.400 0.952 1.365 82 HG3 PRO 9 HG3 PRO 9 -20.208 2.048 2.227 83 HD2 PRO 9 HD2 PRO 9 -18.891 0.205 2.057 84 HD2 PRO 9 HD2 PRO 9 -17.796 1.123 3.038 85 HD3 PRO 9 HD3 PRO 9 -19.665 -0.330 0.553 86 HD3 PRO 9 HD3 PRO 9 -18.647 0.464 1.626 87 H GLY 10 H GLY 10 -17.622 4.505 -1.134 88 H GLY 10 H GLY 10 -16.978 5.263 -0.723 89 HA2 GLY 10 HA2 GLY 10 -17.508 6.724 -0.047 90 HA2 GLY 10 HA2 GLY 10 -16.364 7.398 0.067 91 HA3 GLY 10 HA3 GLY 10 -17.276 5.863 1.467 92 HA3 GLY 10 HA3 GLY 10 -16.076 6.704 1.655 93 H TRP 11 H TRP 11 -15.531 3.904 -0.099 94 H TRP 11 H TRP 11 -14.414 4.548 0.779 95 HA TRP 11 HA TRP 11 -13.086 5.499 0.146 96 HA TRP 11 HA TRP 11 -11.936 6.014 0.518 97 HB2 TRP 11 HB2 TRP 11 -13.697 2.571 0.342 98 HB2 TRP 11 HB2 TRP 11 -12.393 3.029 0.716 99 HB3 TRP 11 HB3 TRP 11 -12.060 3.092 -0.046 100 HB3 TRP 11 HB3 TRP 11 -10.853 3.863 0.907 101 HD1 TRP 11 HD1 TRP 11 -14.627 3.166 2.798 102 HD1 TRP 11 HD1 TRP 11 -14.205 3.337 2.713 103 HE1 TRP 11 HE1 TRP 11 -13.401 3.718 4.992 104 HE1 TRP 11 HE1 TRP 11 -13.878 3.883 5.207 105 HE3 TRP 11 HE3 TRP 11 -10.005 4.241 0.897 106 HE3 TRP 11 HE3 TRP 11 -9.429 5.153 2.526 107 HZ2 TRP 11 HZ2 TRP 11 -10.816 4.505 5.810 108 HZ2 TRP 11 HZ2 TRP 11 -11.862 4.946 6.874 109 HZ3 TRP 11 HZ3 TRP 11 -8.210 4.886 2.453 110 HZ3 TRP 11 HZ3 TRP 11 -8.375 5.915 4.614 111 HH2 TRP 11 HH2 TRP 11 -8.610 5.014 4.857 112 HH2 TRP 11 HH2 TRP 11 -9.567 5.813 6.742 113 H GLU 12 H GLU 12 -11.397 5.305 -1.431 114 H GLU 12 H GLU 12 -10.495 5.923 -1.172 115 HA GLU 12 HA GLU 12 -12.287 4.382 -4.077 116 HA GLU 12 HA GLU 12 -11.476 4.629 -3.633 117 HB2 GLU 12 HB2 GLU 12 -12.497 6.895 -3.774 118 HB2 GLU 12 HB2 GLU 12 -10.172 7.304 -3.211 119 HB3 GLU 12 HB3 GLU 12 -10.743 6.939 -3.660 120 HB3 GLU 12 HB3 GLU 12 -10.088 6.497 -4.771 121 HG2 GLU 12 HG2 GLU 12 -10.662 5.842 -5.909 122 HG2 GLU 12 HG2 GLU 12 -12.591 7.311 -3.315 123 HG3 GLU 12 HG3 GLU 12 -12.405 6.077 -6.011 124 HG3 GLU 12 HG3 GLU 12 -11.902 8.089 -4.737 125 H LYS 13 H LYS 13 -10.936 2.863 -4.746 126 H LYS 13 H LYS 13 -10.011 3.558 -4.924 127 HA LYS 13 HA LYS 13 -8.296 2.587 -3.639 128 HA LYS 13 HA LYS 13 -7.412 3.013 -3.666 129 HB2 LYS 13 HB2 LYS 13 -9.752 0.646 -4.212 130 HB2 LYS 13 HB2 LYS 13 -8.758 1.032 -3.961 131 HB3 LYS 13 HB3 LYS 13 -9.573 1.059 -5.914 132 HB3 LYS 13 HB3 LYS 13 -9.047 1.424 -5.652 133 HG2 LYS 13 HG2 LYS 13 -7.330 0.453 -5.955 134 HG2 LYS 13 HG2 LYS 13 -6.604 1.163 -6.060 135 HG3 LYS 13 HG3 LYS 13 -7.177 0.543 -4.199 136 HG3 LYS 13 HG3 LYS 13 -6.441 0.595 -4.395 137 HD2 LYS 13 HD2 LYS 13 -8.035 -1.535 -3.881 138 HD2 LYS 13 HD2 LYS 13 -7.597 -1.364 -4.811 139 HD3 LYS 13 HD3 LYS 13 -9.136 -1.403 -5.256 140 HD3 LYS 13 HD3 LYS 13 -8.430 -0.696 -6.215 141 HE2 LYS 13 HE2 LYS 13 -6.780 -1.425 -6.550 142 HE2 LYS 13 HE2 LYS 13 -6.911 -1.680 -7.504 143 HE3 LYS 13 HE3 LYS 13 -6.350 -2.380 -5.131 144 HE3 LYS 13 HE3 LYS 13 -5.703 -0.585 -6.831 145 HZ1 LYS 13 HZ1 LYS 13 -8.760 -3.388 -5.913 146 HZ1 LYS 13 HZ1 LYS 13 -4.747 -2.524 -6.245 147 HZ2 LYS 13 HZ2 LYS 13 -7.248 -4.086 -6.209 148 HZ2 LYS 13 HZ2 LYS 13 -6.200 -3.389 -6.239 149 HZ3 LYS 13 HZ3 LYS 13 -7.966 -3.095 -7.379 150 HZ3 LYS 13 HZ3 LYS 13 -5.793 -2.413 -4.920 151 H ARG 14 H ARG 14 -6.572 3.641 -4.346 152 H ARG 14 H ARG 14 -5.612 3.743 -4.579 153 HA ARG 14 HA ARG 14 -6.433 4.360 -7.200 154 HA ARG 14 HA ARG 14 -5.646 4.391 -7.450 155 HB2 ARG 14 HB2 ARG 14 -5.390 5.940 -4.843 156 HB2 ARG 14 HB2 ARG 14 -4.088 6.036 -5.478 157 HB3 ARG 14 HB3 ARG 14 -5.144 6.362 -6.531 158 HB3 ARG 14 HB3 ARG 14 -4.569 6.448 -7.119 159 HG2 ARG 14 HG2 ARG 14 -7.908 6.031 -6.221 160 HG2 ARG 14 HG2 ARG 14 -6.960 6.036 -5.751 161 HG3 ARG 14 HG3 ARG 14 -7.361 6.949 -4.816 162 HG3 ARG 14 HG3 ARG 14 -5.931 6.930 -4.630 163 HD2 ARG 14 HD2 ARG 14 -6.235 8.538 -6.305 164 HD2 ARG 14 HD2 ARG 14 -7.259 8.432 -6.037 165 HD3 ARG 14 HD3 ARG 14 -6.802 7.624 -7.702 166 HD3 ARG 14 HD3 ARG 14 -5.531 8.628 -6.322 167 HE ARG 14 HE ARG 14 -8.892 8.534 -5.932 168 HE ARG 14 HE ARG 14 -6.214 6.881 -8.236 169 HH11 ARG 14 HH11 ARG 14 -6.928 9.271 -8.711 170 HH11 ARG 14 HH11 ARG 14 -7.631 9.898 -7.232 171 HH12 ARG 14 HH12 ARG 14 -8.051 10.420 -9.362 172 HH12 ARG 14 HH12 ARG 14 -8.232 10.291 -8.809 173 HH21 ARG 14 HH21 ARG 14 -10.376 10.045 -6.779 174 HH21 ARG 14 HH21 ARG 14 -6.999 7.386 -10.316 175 HH22 ARG 14 HH22 ARG 14 -10.011 10.860 -8.262 176 HH22 ARG 14 HH22 ARG 14 -7.872 8.862 -10.563 177 H MET 15 H MET 15 -4.145 4.748 -7.942 178 H MET 15 H MET 15 -3.611 4.257 -8.523 179 HA MET 15 HA MET 15 -2.239 2.999 -6.546 180 HA MET 15 HA MET 15 -1.599 2.673 -7.066 181 HB2 MET 15 HB2 MET 15 -3.470 2.093 -8.714 182 HB2 MET 15 HB2 MET 15 -3.043 2.074 -9.505 183 HB3 MET 15 HB3 MET 15 -2.235 3.045 -9.526 184 HB3 MET 15 HB3 MET 15 -1.307 2.085 -9.786 185 HG2 MET 15 HG2 MET 15 -0.784 1.408 -9.254 186 HG2 MET 15 HG2 MET 15 -1.952 0.671 -7.361 187 HG3 MET 15 HG3 MET 15 -0.961 1.535 -7.504 188 HG3 MET 15 HG3 MET 15 -2.837 0.015 -8.736 189 HE1 MET 15 HE1 MET 15 -1.073 -2.117 -9.209 190 HE1 MET 15 HE1 MET 15 -0.223 -2.650 -8.835 191 HE2 MET 15 HE2 MET 15 -0.010 -0.746 -8.896 192 HE2 MET 15 HE2 MET 15 -1.746 -2.120 -8.120 193 HE3 MET 15 HE3 MET 15 -0.619 -1.714 -7.553 194 HE3 MET 15 HE3 MET 15 -1.577 -2.202 -9.873 195 H SER 16 H SER 16 -0.126 3.652 -6.562 196 H SER 16 H SER 16 0.214 3.784 -6.815 197 HA SER 16 HA SER 16 0.353 6.356 -7.584 198 HA SER 16 HA SER 16 0.807 6.137 -8.302 199 HB2 SER 16 HB2 SER 16 0.990 5.101 -5.156 200 HB2 SER 16 HB2 SER 16 2.081 4.601 -6.108 201 HB3 SER 16 HB3 SER 16 2.524 5.272 -6.008 202 HB3 SER 16 HB3 SER 16 3.158 5.601 -7.086 203 HG SER 16 HG SER 16 0.763 7.450 -5.933 204 HG SER 16 HG SER 16 1.574 7.329 -6.676 205 H ARG 17 H ARG 17 2.490 6.834 -8.513 206 H ARG 17 H ARG 17 2.450 6.517 -9.797 207 HA ARG 17 HA ARG 17 3.326 4.658 -10.292 208 HA ARG 17 HA ARG 17 3.185 4.172 -11.374 209 HB2 ARG 17 HB2 ARG 17 3.874 7.624 -10.510 210 HB2 ARG 17 HB2 ARG 17 3.582 5.649 -13.179 211 HB3 ARG 17 HB3 ARG 17 4.269 6.404 -11.713 212 HB3 ARG 17 HB3 ARG 17 2.128 6.247 -12.391 213 HG2 ARG 17 HG2 ARG 17 2.148 6.275 -12.480 214 HG2 ARG 17 HG2 ARG 17 4.271 7.559 -11.149 215 HG3 ARG 17 HG3 ARG 17 1.439 6.568 -10.890 216 HG3 ARG 17 HG3 ARG 17 4.612 7.584 -12.882 217 HD2 ARG 17 HD2 ARG 17 2.720 8.632 -12.679 218 HD2 ARG 17 HD2 ARG 17 3.302 9.540 -12.113 219 HD3 ARG 17 HD3 ARG 17 0.990 8.424 -12.409 220 HD3 ARG 17 HD3 ARG 17 2.472 8.583 -13.339 221 HE ARG 17 HE ARG 17 2.392 8.842 -9.966 222 HE ARG 17 HE ARG 17 1.499 7.551 -11.058 223 HH11 ARG 17 HH11 ARG 17 1.123 10.473 -12.768 224 HH11 ARG 17 HH11 ARG 17 1.851 10.829 -12.181 225 HH12 ARG 17 HH12 ARG 17 0.916 11.989 -11.953 226 HH12 ARG 17 HH12 ARG 17 0.474 11.413 -11.306 227 HH21 ARG 17 HH21 ARG 17 2.126 10.832 -8.884 228 HH21 ARG 17 HH21 ARG 17 -0.314 8.310 -9.904 229 HH22 ARG 17 HH22 ARG 17 1.488 12.193 -9.745 230 HH22 ARG 17 HH22 ARG 17 -0.756 9.979 -10.010 231 H ASN 18 H ASN 18 5.799 5.392 -11.054 232 H ASN 18 H ASN 18 4.500 4.748 -8.830 233 HA ASN 18 HA ASN 18 8.009 5.388 -10.495 234 HA ASN 18 HA ASN 18 7.231 5.332 -9.763 235 HB2 ASN 18 HB2 ASN 18 6.793 7.019 -8.488 236 HB2 ASN 18 HB2 ASN 18 6.009 6.649 -7.817 237 HB3 ASN 18 HB3 ASN 18 8.016 6.012 -7.719 238 HB3 ASN 18 HB3 ASN 18 6.543 5.272 -6.857 239 HD21 ASN 18 HD21 ASN 18 7.668 8.950 -8.726 240 HD21 ASN 18 HD21 ASN 18 7.431 7.815 -6.336 241 HD22 ASN 18 HD22 ASN 18 9.209 9.279 -9.435 242 HD22 ASN 18 HD22 ASN 18 9.113 7.927 -6.719 243 H SER 19 H SER 19 6.612 4.538 -7.339 244 H SER 19 H SER 19 5.323 3.171 -7.701 245 HA SER 19 HA SER 19 8.250 2.147 -7.257 246 HA SER 19 HA SER 19 7.220 1.027 -8.259 247 HB2 SER 19 HB2 SER 19 7.427 1.917 -4.956 248 HB2 SER 19 HB2 SER 19 7.470 0.403 -5.927 249 HB3 SER 19 HB3 SER 19 8.018 3.553 -5.245 250 HB3 SER 19 HB3 SER 19 7.962 2.084 -6.123 251 HG SER 19 HG SER 19 6.021 4.318 -5.127 252 HG SER 19 HG SER 19 5.478 2.295 -5.584 253 H GLY 20 H GLY 20 4.913 3.024 -7.762 254 H GLY 20 H GLY 20 4.446 1.692 -9.006 255 HA2 GLY 20 HA2 GLY 20 3.173 1.767 -8.605 256 HA2 GLY 20 HA2 GLY 20 2.390 0.680 -9.186 257 HA3 GLY 20 HA3 GLY 20 4.298 0.430 -8.796 258 HA3 GLY 20 HA3 GLY 20 3.295 -0.813 -8.990 259 H ARG 21 H ARG 21 3.144 2.227 -5.944 260 H ARG 21 H ARG 21 3.120 1.663 -6.518 261 HA ARG 21 HA ARG 21 2.438 -0.365 -4.738 262 HA ARG 21 HA ARG 21 2.254 -0.203 -4.560 263 HB2 ARG 21 HB2 ARG 21 3.559 2.164 -3.635 264 HB2 ARG 21 HB2 ARG 21 3.335 2.404 -4.586 265 HB3 ARG 21 HB3 ARG 21 2.471 1.240 -2.607 266 HB3 ARG 21 HB3 ARG 21 1.798 2.515 -3.738 267 HG2 ARG 21 HG2 ARG 21 4.001 -0.337 -2.207 268 HG2 ARG 21 HG2 ARG 21 2.514 1.274 -1.986 269 HG3 ARG 21 HG3 ARG 21 4.532 -0.381 -3.891 270 HG3 ARG 21 HG3 ARG 21 3.578 0.281 -2.984 271 HD2 ARG 21 HD2 ARG 21 6.369 0.364 -2.556 272 HD2 ARG 21 HD2 ARG 21 4.938 1.626 -1.542 273 HD3 ARG 21 HD3 ARG 21 5.772 1.742 -3.481 274 HD3 ARG 21 HD3 ARG 21 5.105 2.236 -3.189 275 HE ARG 21 HE ARG 21 5.451 1.316 -0.599 276 HE ARG 21 HE ARG 21 3.695 3.545 -0.981 277 HH11 ARG 21 HH11 ARG 21 5.086 3.332 -3.414 278 HH11 ARG 21 HH11 ARG 21 4.811 3.573 -4.279 279 HH12 ARG 21 HH12 ARG 21 4.770 4.772 -2.502 280 HH12 ARG 21 HH12 ARG 21 4.558 5.275 -4.488 281 HH21 ARG 21 HH21 ARG 21 5.034 3.205 0.612 282 HH21 ARG 21 HH21 ARG 21 3.356 5.785 -1.244 283 HH22 ARG 21 HH22 ARG 21 4.742 4.698 -0.212 284 HH22 ARG 21 HH22 ARG 21 3.732 6.532 -2.760 285 H VAL 22 H VAL 22 0.448 -0.654 -3.776 286 H VAL 22 H VAL 22 0.360 0.666 -3.033 287 HA VAL 22 HA VAL 22 -1.667 1.044 -4.745 288 HA VAL 22 HA VAL 22 -1.913 1.740 -4.413 289 HB VAL 22 HB VAL 22 -1.767 -1.412 -2.990 290 HB VAL 22 HB VAL 22 -2.055 -0.503 -5.302 291 HG11 VAL 22 HG11 VAL 22 -4.007 0.081 -4.350 292 HG11 VAL 22 HG11 VAL 22 -1.825 -1.353 -2.425 293 HG12 VAL 22 HG12 VAL 22 -4.163 -1.451 -3.487 294 HG12 VAL 22 HG12 VAL 22 -2.412 -2.422 -3.701 295 HG13 VAL 22 HG13 VAL 22 -3.708 0.012 -2.614 296 HG13 VAL 22 HG13 VAL 22 -0.771 -1.778 -3.774 297 HG21 VAL 22 HG21 VAL 22 -2.685 -1.275 -5.830 298 HG21 VAL 22 HG21 VAL 22 -4.069 -0.032 -3.107 299 HG22 VAL 22 HG22 VAL 22 -0.973 -1.498 -5.469 300 HG22 VAL 22 HG22 VAL 22 -4.156 0.577 -4.759 301 HG23 VAL 22 HG23 VAL 22 -2.157 -2.670 -4.889 302 HG23 VAL 22 HG23 VAL 22 -4.274 -1.154 -4.450 303 H TYR 23 H TYR 23 -3.004 2.359 -3.573 304 H TYR 23 H TYR 23 -3.417 2.525 -3.014 305 HA TYR 23 HA TYR 23 -2.737 2.521 -0.687 306 HA TYR 23 HA TYR 23 -3.465 1.623 -0.253 307 HB2 TYR 23 HB2 TYR 23 -2.045 4.788 -0.586 308 HB2 TYR 23 HB2 TYR 23 -3.142 3.900 0.648 309 HB3 TYR 23 HB3 TYR 23 -0.946 4.003 -1.716 310 HB3 TYR 23 HB3 TYR 23 -1.712 3.312 -0.192 311 HD1 TYR 23 HD1 TYR 23 -3.729 6.377 -1.380 312 HD1 TYR 23 HD1 TYR 23 -4.132 5.934 0.039 313 HD2 TYR 23 HD2 TYR 23 -0.957 4.578 -4.061 314 HD2 TYR 23 HD2 TYR 23 -1.336 4.102 -2.592 315 HE1 TYR 23 HE1 TYR 23 -4.281 8.069 -3.078 316 HE1 TYR 23 HE1 TYR 23 -4.131 7.958 -1.358 317 HE2 TYR 23 HE2 TYR 23 -1.500 6.266 -5.765 318 HE2 TYR 23 HE2 TYR 23 -1.325 6.122 -3.996 319 HH TYR 23 HH TYR 23 -4.143 8.497 -5.366 320 HH TYR 23 HH TYR 23 -2.009 8.870 -3.272 321 H TYR 24 H TYR 24 -4.485 3.492 0.324 322 H TYR 24 H TYR 24 -5.089 3.193 0.981 323 HA TYR 24 HA TYR 24 -6.802 3.940 -1.419 324 HA TYR 24 HA TYR 24 -7.381 3.663 -0.810 325 HB2 TYR 24 HB2 TYR 24 -6.804 3.500 1.569 326 HB2 TYR 24 HB2 TYR 24 -7.410 2.479 1.973 327 HB3 TYR 24 HB3 TYR 24 -8.184 3.430 0.480 328 HB3 TYR 24 HB3 TYR 24 -8.849 2.933 1.067 329 HD1 TYR 24 HD1 TYR 24 -7.541 1.720 -1.640 330 HD1 TYR 24 HD1 TYR 24 -6.061 0.549 1.286 331 HD2 TYR 24 HD2 TYR 24 -6.230 1.433 2.399 332 HD2 TYR 24 HD2 TYR 24 -9.649 1.575 -0.756 333 HE1 TYR 24 HE1 TYR 24 -7.194 -0.697 -1.931 334 HE1 TYR 24 HE1 TYR 24 -6.095 -1.676 0.241 335 HE2 TYR 24 HE2 TYR 24 -5.876 -0.984 2.117 336 HE2 TYR 24 HE2 TYR 24 -9.695 -0.649 -1.806 337 HH TYR 24 HH TYR 24 -5.886 -2.694 0.698 338 HH TYR 24 HH TYR 24 -8.829 -2.801 -1.598 339 H PHE 25 H PHE 25 -8.281 5.669 -0.934 340 H PHE 25 H PHE 25 -7.993 5.711 -0.824 341 HA PHE 25 HA PHE 25 -7.148 7.879 0.626 342 HA PHE 25 HA PHE 25 -7.614 7.315 1.617 343 HB2 PHE 25 HB2 PHE 25 -6.913 7.892 -2.067 344 HB2 PHE 25 HB2 PHE 25 -6.011 8.095 0.016 345 HB3 PHE 25 HB3 PHE 25 -8.500 8.638 -1.897 346 HB3 PHE 25 HB3 PHE 25 -7.217 8.124 -1.266 347 HD1 PHE 25 HD1 PHE 25 -5.607 9.691 -2.784 348 HD1 PHE 25 HD1 PHE 25 -8.897 9.886 -1.357 349 HD2 PHE 25 HD2 PHE 25 -8.063 10.109 0.667 350 HD2 PHE 25 HD2 PHE 25 -5.860 9.866 1.625 351 HE1 PHE 25 HE1 PHE 25 -4.533 11.847 -2.285 352 HE1 PHE 25 HE1 PHE 25 -9.382 12.245 -0.852 353 HE2 PHE 25 HE2 PHE 25 -6.993 12.267 1.170 354 HE2 PHE 25 HE2 PHE 25 -6.341 12.224 2.136 355 HZ PHE 25 HZ PHE 25 -5.227 13.140 -0.307 356 HZ PHE 25 HZ PHE 25 -8.105 13.416 0.898 357 H ASN 26 H ASN 26 -8.587 8.460 2.098 358 H ASN 26 H ASN 26 -9.396 8.220 2.413 359 HA ASN 26 HA ASN 26 -11.424 7.936 1.621 360 HA ASN 26 HA ASN 26 -11.826 8.181 0.764 361 HB2 ASN 26 HB2 ASN 26 -10.391 7.116 3.722 362 HB2 ASN 26 HB2 ASN 26 -11.904 6.937 2.900 363 HB3 ASN 26 HB3 ASN 26 -10.028 8.781 4.170 364 HB3 ASN 26 HB3 ASN 26 -11.554 8.430 3.769 365 HD21 ASN 26 HD21 ASN 26 -12.549 6.426 3.685 366 HD21 ASN 26 HD21 ASN 26 -13.673 7.432 4.694 367 HD22 ASN 26 HD22 ASN 26 -13.782 7.277 4.547 368 HD22 ASN 26 HD22 ASN 26 -15.126 8.111 4.054 369 H HIS 27 H HIS 27 -12.589 9.526 0.780 370 H HIS 27 H HIS 27 -12.857 10.008 0.213 371 HA HIS 27 HA HIS 27 -11.753 12.296 1.127 372 HA HIS 27 HA HIS 27 -11.573 12.528 0.718 373 HB2 HIS 27 HB2 HIS 27 -13.686 12.705 -0.501 374 HB2 HIS 27 HB2 HIS 27 -14.267 12.420 -0.538 375 HB3 HIS 27 HB3 HIS 27 -12.298 11.813 -1.119 376 HB3 HIS 27 HB3 HIS 27 -12.851 13.364 -0.992 377 HD1 HIS 27 HD1 HIS 27 -12.784 9.613 -2.175 378 HD1 HIS 27 HD1 HIS 27 -14.819 11.050 -2.521 379 HD2 HIS 27 HD2 HIS 27 -15.928 10.944 0.192 380 HD2 HIS 27 HD2 HIS 27 -10.738 11.081 -1.744 381 HE1 HIS 27 HE1 HIS 27 -14.652 7.972 -2.554 382 HE1 HIS 27 HE1 HIS 27 -13.806 9.458 -4.184 383 H ILE 28 H ILE 28 -13.049 10.579 3.253 384 H ILE 28 H ILE 28 -14.057 10.715 2.195 385 HA ILE 28 HA ILE 28 -15.437 12.222 3.760 386 HA ILE 28 HA ILE 28 -15.528 12.901 3.310 387 HB ILE 28 HB ILE 28 -14.639 9.555 4.930 388 HB ILE 28 HB ILE 28 -15.428 10.017 4.202 389 HG12 ILE 28 HG12 ILE 28 -16.830 10.400 3.025 390 HG12 ILE 28 HG12 ILE 28 -17.082 11.487 2.170 391 HG13 ILE 28 HG13 ILE 28 -15.481 9.322 2.684 392 HG13 ILE 28 HG13 ILE 28 -16.245 9.947 2.007 393 HG21 ILE 28 HG21 ILE 28 -17.089 11.224 5.486 394 HG21 ILE 28 HG21 ILE 28 -17.446 10.447 5.403 395 HG22 ILE 28 HG22 ILE 28 -16.773 9.606 6.110 396 HG22 ILE 28 HG22 ILE 28 -16.261 11.660 5.887 397 HG23 ILE 28 HG23 ILE 28 -15.749 10.956 6.600 398 HG23 ILE 28 HG23 ILE 28 -17.547 12.084 4.756 399 HD11 ILE 28 HD11 ILE 28 -17.547 8.086 2.969 400 HD11 ILE 28 HD11 ILE 28 -18.801 10.517 3.470 401 HD12 ILE 28 HD12 ILE 28 -16.398 7.687 4.247 402 HD12 ILE 28 HD12 ILE 28 -18.544 9.458 2.083 403 HD13 ILE 28 HD13 ILE 28 -17.749 8.770 4.583 404 HD13 ILE 28 HD13 ILE 28 -17.898 9.016 3.664 405 H THR 29 H THR 29 -12.426 11.060 5.179 406 H THR 29 H THR 29 -13.133 10.617 4.619 407 HA THR 29 HA THR 29 -12.475 13.318 7.032 408 HA THR 29 HA THR 29 -12.902 12.240 7.037 409 HB THR 29 HB THR 29 -11.851 11.957 8.954 410 HB THR 29 HB THR 29 -11.335 10.381 7.773 411 HG1 THR 29 HG1 THR 29 -12.098 9.818 7.098 412 HG1 THR 29 HG1 THR 29 -11.357 8.499 6.552 413 HG21 THR 29 HG21 THR 29 -13.976 11.238 9.505 414 HG21 THR 29 HG21 THR 29 -13.269 8.719 8.025 415 HG22 THR 29 HG22 THR 29 -14.288 10.585 7.897 416 HG22 THR 29 HG22 THR 29 -14.237 9.906 7.152 417 HG23 THR 29 HG23 THR 29 -14.321 12.327 8.164 418 HG23 THR 29 HG23 THR 29 -13.496 10.336 8.693 419 H ASN 30 H ASN 30 -10.954 12.604 4.621 420 H ASN 30 H ASN 30 -11.261 11.607 4.077 421 HA ASN 30 HA ASN 30 -8.810 12.478 3.840 422 HA ASN 30 HA ASN 30 -9.399 12.522 3.141 423 HB2 ASN 30 HB2 ASN 30 -7.940 13.939 6.312 424 HB2 ASN 30 HB2 ASN 30 -10.347 14.536 4.635 425 HB3 ASN 30 HB3 ASN 30 -7.422 14.171 4.645 426 HB3 ASN 30 HB3 ASN 30 -8.820 14.273 5.471 427 HD21 ASN 30 HD21 ASN 30 -9.819 14.391 3.349 428 HD21 ASN 30 HD21 ASN 30 -7.128 13.619 3.470 429 HD22 ASN 30 HD22 ASN 30 -10.638 15.817 3.877 430 HD22 ASN 30 HD22 ASN 30 -6.966 14.938 2.366 431 H ALA 31 H ALA 31 -9.666 10.316 5.642 432 H ALA 31 H ALA 31 -9.300 10.237 4.977 433 HA ALA 31 HA ALA 31 -7.369 9.614 7.232 434 HA ALA 31 HA ALA 31 -6.524 10.484 5.935 435 HB1 ALA 31 HB1 ALA 31 -8.573 7.686 7.869 436 HB1 ALA 31 HB1 ALA 31 -7.012 8.687 7.499 437 HB2 ALA 31 HB2 ALA 31 -9.766 8.979 7.745 438 HB2 ALA 31 HB2 ALA 31 -8.150 10.020 7.711 439 HB3 ALA 31 HB3 ALA 31 -9.625 7.783 6.456 440 HB3 ALA 31 HB3 ALA 31 -8.653 8.558 6.862 441 H SER 32 H SER 32 -5.540 9.053 6.242 442 H SER 32 H SER 32 -4.997 9.126 5.173 443 HA SER 32 HA SER 32 -5.705 7.342 3.851 444 HA SER 32 HA SER 32 -5.833 7.217 3.103 445 HB2 SER 32 HB2 SER 32 -4.464 9.079 3.043 446 HB2 SER 32 HB2 SER 32 -3.093 7.431 2.889 447 HB3 SER 32 HB3 SER 32 -3.897 9.555 4.644 448 HB3 SER 32 HB3 SER 32 -4.265 8.337 1.932 449 HG SER 32 HG SER 32 -2.174 8.396 4.348 450 HG SER 32 HG SER 32 -3.960 10.081 3.171 451 H GLN 33 H GLN 33 -4.713 5.396 3.819 452 H GLN 33 H GLN 33 -4.992 5.117 3.053 453 HA GLN 33 HA GLN 33 -2.680 4.647 5.683 454 HA GLN 33 HA GLN 33 -3.303 4.183 5.206 455 HB2 GLN 33 HB2 GLN 33 -3.845 3.079 7.008 456 HB2 GLN 33 HB2 GLN 33 -6.040 4.141 5.630 457 HB3 GLN 33 HB3 GLN 33 -4.846 4.526 7.020 458 HB3 GLN 33 HB3 GLN 33 -5.687 2.510 5.075 459 HG2 GLN 33 HG2 GLN 33 -6.312 3.553 5.350 460 HG2 GLN 33 HG2 GLN 33 -4.164 2.140 6.847 461 HG3 GLN 33 HG3 GLN 33 -5.291 2.119 5.270 462 HG3 GLN 33 HG3 GLN 33 -4.171 3.844 7.297 463 HE21 GLN 33 HE21 GLN 33 -8.146 2.590 6.062 464 HE21 GLN 33 HE21 GLN 33 -6.375 1.092 6.928 465 HE22 GLN 33 HE22 GLN 33 -8.297 1.829 7.605 466 HE22 GLN 33 HE22 GLN 33 -7.353 1.472 8.300 467 H PHE 34 H PHE 34 -2.053 2.335 5.416 468 H PHE 34 H PHE 34 -2.173 2.388 4.658 469 HA PHE 34 HA PHE 34 -2.623 1.449 2.666 470 HA PHE 34 HA PHE 34 -2.230 1.555 1.928 471 HB2 PHE 34 HB2 PHE 34 -0.161 0.630 4.172 472 HB2 PHE 34 HB2 PHE 34 -0.668 0.596 4.328 473 HB3 PHE 34 HB3 PHE 34 -0.417 0.723 2.434 474 HB3 PHE 34 HB3 PHE 34 -0.471 -0.097 2.720 475 HD1 PHE 34 HD1 PHE 34 0.786 2.410 5.347 476 HD1 PHE 34 HD1 PHE 34 0.881 2.157 4.943 477 HD2 PHE 34 HD2 PHE 34 -0.608 3.010 1.371 478 HD2 PHE 34 HD2 PHE 34 -0.178 1.825 0.834 479 HE1 PHE 34 HE1 PHE 34 1.835 4.635 5.320 480 HE1 PHE 34 HE1 PHE 34 2.499 3.924 4.386 481 HE2 PHE 34 HE2 PHE 34 0.440 5.237 1.336 482 HE2 PHE 34 HE2 PHE 34 1.439 3.591 0.273 483 HZ PHE 34 HZ PHE 34 1.665 6.051 3.311 484 HZ PHE 34 HZ PHE 34 2.782 4.643 2.048 485 H GLU 35 H GLU 35 -4.470 0.610 4.351 486 H GLU 35 H GLU 35 -3.322 0.175 4.974 487 HA GLU 35 HA GLU 35 -3.944 -2.243 4.543 488 HA GLU 35 HA GLU 35 -4.074 -2.333 3.742 489 HB2 GLU 35 HB2 GLU 35 -4.296 -0.459 6.870 490 HB2 GLU 35 HB2 GLU 35 -4.826 -1.389 6.505 491 HB3 GLU 35 HB3 GLU 35 -5.265 -1.925 6.893 492 HB3 GLU 35 HB3 GLU 35 -4.720 -3.042 5.917 493 HG2 GLU 35 HG2 GLU 35 -3.368 -2.606 7.982 494 HG2 GLU 35 HG2 GLU 35 -2.665 -3.142 6.716 495 HG3 GLU 35 HG3 GLU 35 -3.019 -3.103 6.327 496 HG3 GLU 35 HG3 GLU 35 -2.183 -1.939 5.521 497 H ARG 36 H ARG 36 -5.764 -3.509 4.325 498 H ARG 36 H ARG 36 -6.359 -3.156 4.224 499 HA ARG 36 HA ARG 36 -7.899 -2.581 2.870 500 HA ARG 36 HA ARG 36 -8.221 -1.194 3.150 501 HB2 ARG 36 HB2 ARG 36 -7.315 -4.967 3.140 502 HB2 ARG 36 HB2 ARG 36 -8.058 -3.449 2.137 503 HB3 ARG 36 HB3 ARG 36 -7.932 -4.917 4.787 504 HB3 ARG 36 HB3 ARG 36 -8.606 -4.149 3.655 505 HG2 ARG 36 HG2 ARG 36 -9.805 -5.698 3.839 506 HG2 ARG 36 HG2 ARG 36 -10.590 -2.381 3.193 507 HG3 ARG 36 HG3 ARG 36 -10.079 -4.002 3.435 508 HG3 ARG 36 HG3 ARG 36 -10.124 -2.788 1.541 509 HD2 ARG 36 HD2 ARG 36 -8.656 -4.601 1.317 510 HD2 ARG 36 HD2 ARG 36 -10.731 -4.992 1.765 511 HD3 ARG 36 HD3 ARG 36 -9.155 -6.248 1.702 512 HD3 ARG 36 HD3 ARG 36 -10.488 -4.990 3.511 513 HE ARG 36 HE ARG 36 -10.755 -4.223 0.525 514 HE ARG 36 HE ARG 36 -12.590 -3.336 3.214 515 HH11 ARG 36 HH11 ARG 36 -10.882 -6.903 2.743 516 HH11 ARG 36 HH11 ARG 36 -11.915 -6.528 1.998 517 HH12 ARG 36 HH12 ARG 36 -12.559 -7.231 2.456 518 HH12 ARG 36 HH12 ARG 36 -13.579 -7.007 1.962 519 HH21 ARG 36 HH21 ARG 36 -12.963 -4.646 0.138 520 HH21 ARG 36 HH21 ARG 36 -14.785 -3.956 3.171 521 HH22 ARG 36 HH22 ARG 36 -13.741 -5.947 0.972 522 HH22 ARG 36 HH22 ARG 36 -15.211 -5.544 2.629 523 HA PRO 37 HA PRO 37 -9.944 -0.200 6.095 524 HA PRO 37 HA PRO 37 -9.665 -0.517 7.350 525 HB2 PRO 37 HB2 PRO 37 -11.674 1.030 4.402 526 HB2 PRO 37 HB2 PRO 37 -11.284 1.564 6.703 527 HB3 PRO 37 HB3 PRO 37 -9.997 1.547 4.603 528 HB3 PRO 37 HB3 PRO 37 -9.535 1.731 6.896 529 HG2 PRO 37 HG2 PRO 37 -11.211 -0.150 2.457 530 HG2 PRO 37 HG2 PRO 37 -11.147 1.452 4.389 531 HG3 PRO 37 HG3 PRO 37 -10.030 1.165 2.309 532 HG3 PRO 37 HG3 PRO 37 -9.783 2.534 4.727 533 HD2 PRO 37 HD2 PRO 37 -9.318 -1.446 2.242 534 HD2 PRO 37 HD2 PRO 37 -9.505 0.235 3.324 535 HD3 PRO 37 HD3 PRO 37 -8.263 -0.185 2.910 536 HD3 PRO 37 HD3 PRO 37 -8.219 0.882 4.363 537 H SER 38 H SER 38 -11.409 -1.134 7.362 538 H SER 38 H SER 38 -11.700 -0.685 8.426 539 HA SER 38 HA SER 38 -13.199 -3.144 6.445 540 HA SER 38 HA SER 38 -13.745 -2.068 6.819 541 HB2 SER 38 HB2 SER 38 -14.097 -3.067 8.763 542 HB2 SER 38 HB2 SER 38 -12.575 -3.367 8.659 543 HB3 SER 38 HB3 SER 38 -12.340 -3.210 8.718 544 HB3 SER 38 HB3 SER 38 -13.370 -2.294 9.810 545 HG SER 38 HG SER 38 -13.438 -1.550 10.161 546 HG SER 38 HG SER 38 -14.934 -3.562 7.869 547 H GLY 39 H GLY 39 -14.086 -0.163 8.185 548 H GLY 39 H GLY 39 -15.999 -1.829 7.616 549 HA2 GLY 39 HA2 GLY 39 -15.577 1.494 7.324 550 HA2 GLY 39 HA2 GLY 39 -16.776 0.857 7.678 551 HA3 GLY 39 HA3 GLY 39 -16.203 0.298 6.199 552 HA3 GLY 39 HA3 GLY 39 -17.810 -0.504 8.090 Start of MODEL 10 1 H1 SER 5 H SER 5 -11.400 -3.118 -8.647 2 H1 SER 5 H SER 5 -11.624 -4.030 -7.497 3 HA SER 5 HA SER 5 -12.825 -1.474 -6.794 4 HA SER 5 HA SER 5 -13.156 -2.197 -6.422 5 HB2 SER 5 HB2 SER 5 -13.706 -1.591 -9.005 6 HB2 SER 5 HB2 SER 5 -14.692 -4.713 -6.729 7 HB3 SER 5 HB3 SER 5 -13.710 -3.354 -8.985 8 HB3 SER 5 HB3 SER 5 -14.948 -3.136 -7.476 9 HG SER 5 HG SER 5 -15.781 -2.179 -8.590 10 HG SER 5 HG SER 5 -14.074 -5.115 -8.737 11 H LYS 6 H LYS 6 -12.115 -2.542 -4.820 12 H LYS 6 H LYS 6 -12.592 -5.308 -4.895 13 HA LYS 6 HA LYS 6 -13.991 -4.641 -4.058 14 HA LYS 6 HA LYS 6 -14.487 -5.195 -2.857 15 HB2 LYS 6 HB2 LYS 6 -10.997 -4.885 -3.930 16 HB2 LYS 6 HB2 LYS 6 -12.916 -6.689 -1.603 17 HB3 LYS 6 HB3 LYS 6 -12.027 -5.773 -2.815 18 HB3 LYS 6 HB3 LYS 6 -13.278 -7.226 -3.237 19 HG2 LYS 6 HG2 LYS 6 -13.140 -6.857 -4.696 20 HG2 LYS 6 HG2 LYS 6 -11.106 -6.002 -3.886 21 HG3 LYS 6 HG3 LYS 6 -12.117 -5.960 -5.820 22 HG3 LYS 6 HG3 LYS 6 -10.749 -6.047 -2.158 23 HD2 LYS 6 HD2 LYS 6 -10.520 -7.494 -5.632 24 HD2 LYS 6 HD2 LYS 6 -9.776 -8.013 -2.788 25 HD3 LYS 6 HD3 LYS 6 -10.462 -7.252 -3.884 26 HD3 LYS 6 HD3 LYS 6 -11.412 -8.596 -2.468 27 HE2 LYS 6 HE2 LYS 6 -12.280 -8.849 -3.592 28 HE2 LYS 6 HE2 LYS 6 -11.518 -9.336 -4.561 29 HE3 LYS 6 HE3 LYS 6 -12.385 -9.066 -5.339 30 HE3 LYS 6 HE3 LYS 6 -11.382 -7.674 -5.131 31 HZ1 LYS 6 HZ1 LYS 6 -10.384 -10.192 -5.403 32 HZ1 LYS 6 HZ1 LYS 6 -8.948 -7.926 -5.027 33 HZ2 LYS 6 HZ2 LYS 6 -11.066 -10.762 -3.963 34 HZ2 LYS 6 HZ2 LYS 6 -9.667 -8.995 -6.123 35 HZ3 LYS 6 HZ3 LYS 6 -9.854 -9.582 -3.917 36 HZ3 LYS 6 HZ3 LYS 6 -9.145 -9.556 -4.616 37 H LEU 7 H LEU 7 -13.844 -1.841 -3.457 38 H LEU 7 H LEU 7 -14.744 -3.285 -1.806 39 HA LEU 7 HA LEU 7 -13.283 -1.955 -0.566 40 HA LEU 7 HA LEU 7 -13.005 -2.640 0.308 41 HB2 LEU 7 HB2 LEU 7 -12.817 0.167 -2.596 42 HB2 LEU 7 HB2 LEU 7 -12.066 -0.573 -0.384 43 HB3 LEU 7 HB3 LEU 7 -13.258 0.663 -0.962 44 HB3 LEU 7 HB3 LEU 7 -11.665 -1.776 -1.609 45 HG LEU 7 HG LEU 7 -11.296 -0.368 -0.052 46 HG LEU 7 HG LEU 7 -14.055 -0.517 -2.439 47 HD11 LEU 7 HD11 LEU 7 -10.891 -2.330 -1.166 48 HD11 LEU 7 HD11 LEU 7 -11.967 1.576 -2.010 49 HD12 LEU 7 HD12 LEU 7 -9.627 -1.302 -1.840 50 HD12 LEU 7 HD12 LEU 7 -13.158 1.241 -0.753 51 HD13 LEU 7 HD13 LEU 7 -11.104 -1.600 -2.757 52 HD13 LEU 7 HD13 LEU 7 -13.687 1.761 -2.354 53 HD21 LEU 7 HD21 LEU 7 -11.090 1.550 -2.269 54 HD21 LEU 7 HD21 LEU 7 -11.215 -0.219 -3.410 55 HD22 LEU 7 HD22 LEU 7 -9.580 0.761 -1.817 56 HD22 LEU 7 HD22 LEU 7 -12.669 0.187 -4.321 57 HD23 LEU 7 HD23 LEU 7 -10.502 1.660 -0.611 58 HD23 LEU 7 HD23 LEU 7 -12.341 -1.490 -3.883 59 HA PRO 8 HA PRO 8 -17.477 -0.988 0.287 60 HA PRO 8 HA PRO 8 -16.618 -0.600 1.736 61 HB2 PRO 8 HB2 PRO 8 -17.253 0.645 2.444 62 HB2 PRO 8 HB2 PRO 8 -15.573 1.284 3.389 63 HB3 PRO 8 HB3 PRO 8 -16.940 -1.092 2.518 64 HB3 PRO 8 HB3 PRO 8 -15.587 -0.439 3.782 65 HG2 PRO 8 HG2 PRO 8 -14.997 1.174 2.293 66 HG2 PRO 8 HG2 PRO 8 -13.364 1.231 2.678 67 HG3 PRO 8 HG3 PRO 8 -14.908 -0.282 3.303 68 HG3 PRO 8 HG3 PRO 8 -13.309 -0.006 3.948 69 HD2 PRO 8 HD2 PRO 8 -13.550 -0.040 0.972 70 HD2 PRO 8 HD2 PRO 8 -12.534 -0.499 1.400 71 HD3 PRO 8 HD3 PRO 8 -14.165 -1.597 1.561 72 HD3 PRO 8 HD3 PRO 8 -13.274 -1.742 2.431 73 HA PRO 9 HA PRO 9 -18.810 2.862 -1.371 74 HA PRO 9 HA PRO 9 -17.488 3.001 -0.640 75 HB2 PRO 9 HB2 PRO 9 -20.882 3.578 0.231 76 HB2 PRO 9 HB2 PRO 9 -19.366 4.214 0.900 77 HB3 PRO 9 HB3 PRO 9 -20.976 2.238 -0.919 78 HB3 PRO 9 HB3 PRO 9 -19.686 2.738 -0.020 79 HG2 PRO 9 HG2 PRO 9 -20.478 2.171 2.033 80 HG2 PRO 9 HG2 PRO 9 -19.041 3.057 2.887 81 HG3 PRO 9 HG3 PRO 9 -21.516 1.123 1.049 82 HG3 PRO 9 HG3 PRO 9 -20.250 2.013 2.116 83 HD2 PRO 9 HD2 PRO 9 -19.050 0.370 1.875 84 HD2 PRO 9 HD2 PRO 9 -17.854 1.084 2.965 85 HD3 PRO 9 HD3 PRO 9 -19.748 -0.170 0.333 86 HD3 PRO 9 HD3 PRO 9 -18.693 0.410 1.552 87 H GLY 10 H GLY 10 -17.487 4.578 -1.236 88 H GLY 10 H GLY 10 -16.978 5.169 -0.841 89 HA2 GLY 10 HA2 GLY 10 -17.474 6.830 -0.143 90 HA2 GLY 10 HA2 GLY 10 -16.349 7.308 -0.081 91 HA3 GLY 10 HA3 GLY 10 -17.285 5.956 1.370 92 HA3 GLY 10 HA3 GLY 10 -16.092 6.639 1.523 93 H TRP 11 H TRP 11 -15.485 4.004 -0.094 94 H TRP 11 H TRP 11 -14.435 4.453 0.709 95 HA TRP 11 HA TRP 11 -13.055 5.616 0.196 96 HA TRP 11 HA TRP 11 -11.941 5.898 0.455 97 HB2 TRP 11 HB2 TRP 11 -13.670 2.694 0.432 98 HB2 TRP 11 HB2 TRP 11 -12.398 2.918 0.700 99 HB3 TRP 11 HB3 TRP 11 -12.024 3.198 0.057 100 HB3 TRP 11 HB3 TRP 11 -10.876 3.769 0.939 101 HD1 TRP 11 HD1 TRP 11 -14.619 3.303 2.866 102 HD1 TRP 11 HD1 TRP 11 -14.303 3.267 2.614 103 HE1 TRP 11 HE1 TRP 11 -13.428 3.914 5.063 104 HE1 TRP 11 HE1 TRP 11 -14.073 3.839 5.113 105 HE3 TRP 11 HE3 TRP 11 -9.995 4.418 0.997 106 HE3 TRP 11 HE3 TRP 11 -9.513 5.054 2.601 107 HZ2 TRP 11 HZ2 TRP 11 -10.866 4.758 5.895 108 HZ2 TRP 11 HZ2 TRP 11 -12.121 4.908 6.850 109 HZ3 TRP 11 HZ3 TRP 11 -8.228 5.120 2.561 110 HZ3 TRP 11 HZ3 TRP 11 -8.539 5.831 4.724 111 HH2 TRP 11 HH2 TRP 11 -8.658 5.285 4.958 112 HH2 TRP 11 HH2 TRP 11 -9.818 5.760 6.801 113 H GLU 12 H GLU 12 -11.317 5.403 -1.325 114 H GLU 12 H GLU 12 -10.439 5.690 -1.191 115 HA GLU 12 HA GLU 12 -12.145 4.477 -3.992 116 HA GLU 12 HA GLU 12 -11.350 4.280 -3.612 117 HB2 GLU 12 HB2 GLU 12 -11.925 7.128 -3.320 118 HB2 GLU 12 HB2 GLU 12 -11.132 6.107 -4.922 119 HB3 GLU 12 HB3 GLU 12 -10.333 6.785 -3.981 120 HB3 GLU 12 HB3 GLU 12 -11.355 6.979 -3.412 121 HG2 GLU 12 HG2 GLU 12 -12.326 5.645 -5.678 122 HG2 GLU 12 HG2 GLU 12 -8.771 6.803 -3.233 123 HG3 GLU 12 HG3 GLU 12 -12.706 7.339 -5.374 124 HG3 GLU 12 HG3 GLU 12 -8.856 6.500 -4.969 125 H LYS 13 H LYS 13 -10.842 2.885 -4.582 126 H LYS 13 H LYS 13 -9.772 3.320 -4.876 127 HA LYS 13 HA LYS 13 -8.221 2.569 -3.423 128 HA LYS 13 HA LYS 13 -7.163 3.020 -3.559 129 HB2 LYS 13 HB2 LYS 13 -9.506 0.576 -3.774 130 HB2 LYS 13 HB2 LYS 13 -8.448 1.273 -5.667 131 HB3 LYS 13 HB3 LYS 13 -9.768 0.974 -5.467 132 HB3 LYS 13 HB3 LYS 13 -6.943 0.940 -4.819 133 HG2 LYS 13 HG2 LYS 13 -7.700 0.270 -6.099 134 HG2 LYS 13 HG2 LYS 13 -8.207 0.843 -2.698 135 HG3 LYS 13 HG3 LYS 13 -6.967 0.666 -4.542 136 HG3 LYS 13 HG3 LYS 13 -9.700 1.057 -3.615 137 HD2 LYS 13 HD2 LYS 13 -7.215 -1.431 -3.840 138 HD2 LYS 13 HD2 LYS 13 -7.737 -1.203 -4.003 139 HD3 LYS 13 HD3 LYS 13 -8.942 -1.388 -4.199 140 HD3 LYS 13 HD3 LYS 13 -9.233 -1.310 -3.072 141 HE2 LYS 13 HE2 LYS 13 -6.778 -1.939 -6.226 142 HE2 LYS 13 HE2 LYS 13 -9.955 -2.124 -5.084 143 HE3 LYS 13 HE3 LYS 13 -7.717 -3.182 -5.401 144 HE3 LYS 13 HE3 LYS 13 -10.291 -0.408 -5.309 145 HZ1 LYS 13 HZ1 LYS 13 -9.542 -1.393 -6.464 146 HZ1 LYS 13 HZ1 LYS 13 -8.739 -2.011 -6.916 147 HZ2 LYS 13 HZ2 LYS 13 -9.227 -2.970 -6.987 148 HZ2 LYS 13 HZ2 LYS 13 -7.633 -1.037 -6.089 149 HZ3 LYS 13 HZ3 LYS 13 -8.404 -1.666 -7.686 150 HZ3 LYS 13 HZ3 LYS 13 -8.872 -0.327 -6.994 151 H ARG 14 H ARG 14 -6.572 3.742 -4.146 152 H ARG 14 H ARG 14 -5.349 3.734 -4.491 153 HA ARG 14 HA ARG 14 -6.396 4.285 -7.035 154 HA ARG 14 HA ARG 14 -5.426 4.449 -7.345 155 HB2 ARG 14 HB2 ARG 14 -5.096 5.816 -4.774 156 HB2 ARG 14 HB2 ARG 14 -3.903 6.097 -5.346 157 HB3 ARG 14 HB3 ARG 14 -5.056 6.237 -6.481 158 HB3 ARG 14 HB3 ARG 14 -4.401 6.526 -6.976 159 HG2 ARG 14 HG2 ARG 14 -7.767 5.999 -5.797 160 HG2 ARG 14 HG2 ARG 14 -6.777 6.025 -5.613 161 HG3 ARG 14 HG3 ARG 14 -6.999 6.904 -4.492 162 HG3 ARG 14 HG3 ARG 14 -5.769 6.918 -4.473 163 HD2 ARG 14 HD2 ARG 14 -5.973 8.377 -6.237 164 HD2 ARG 14 HD2 ARG 14 -7.108 8.443 -5.810 165 HD3 ARG 14 HD3 ARG 14 -6.961 7.544 -7.436 166 HD3 ARG 14 HD3 ARG 14 -5.393 8.647 -6.166 167 HE ARG 14 HE ARG 14 -8.446 8.653 -5.228 168 HE ARG 14 HE ARG 14 -6.157 6.925 -8.073 169 HH11 ARG 14 HH11 ARG 14 -7.134 9.220 -8.404 170 HH11 ARG 14 HH11 ARG 14 -7.525 9.931 -6.968 171 HH12 ARG 14 HH12 ARG 14 -8.245 10.496 -8.777 172 HH12 ARG 14 HH12 ARG 14 -8.191 10.345 -8.514 173 HH21 ARG 14 HH21 ARG 14 -9.914 10.332 -5.709 174 HH21 ARG 14 HH21 ARG 14 -7.029 7.462 -10.112 175 HH22 ARG 14 HH22 ARG 14 -9.825 11.128 -7.243 176 HH22 ARG 14 HH22 ARG 14 -7.908 8.941 -10.301 177 H MET 15 H MET 15 -4.088 4.554 -7.815 178 H MET 15 H MET 15 -3.492 4.221 -8.480 179 HA MET 15 HA MET 15 -2.243 2.736 -6.437 180 HA MET 15 HA MET 15 -1.376 2.752 -7.045 181 HB2 MET 15 HB2 MET 15 -3.562 1.651 -8.376 182 HB2 MET 15 HB2 MET 15 -2.903 2.020 -9.357 183 HB3 MET 15 HB3 MET 15 -2.558 2.643 -9.426 184 HB3 MET 15 HB3 MET 15 -1.215 2.193 -9.817 185 HG2 MET 15 HG2 MET 15 -0.909 1.183 -9.293 186 HG2 MET 15 HG2 MET 15 -1.194 0.019 -9.195 187 HG3 MET 15 HG3 MET 15 -0.893 1.307 -7.537 188 HG3 MET 15 HG3 MET 15 -0.846 0.757 -7.633 189 HE1 MET 15 HE1 MET 15 -2.991 -1.006 -10.462 190 HE1 MET 15 HE1 MET 15 -3.066 -0.783 -10.003 191 HE2 MET 15 HE2 MET 15 -1.303 -0.500 -10.497 192 HE2 MET 15 HE2 MET 15 -3.670 -2.071 -8.959 193 HE3 MET 15 HE3 MET 15 -1.720 -2.143 -10.010 194 HE3 MET 15 HE3 MET 15 -4.698 -0.690 -9.337 195 H SER 16 H SER 16 -0.197 3.450 -6.358 196 H SER 16 H SER 16 0.577 3.651 -7.054 197 HA SER 16 HA SER 16 0.399 6.010 -7.596 198 HA SER 16 HA SER 16 1.040 6.128 -8.398 199 HB2 SER 16 HB2 SER 16 1.095 4.829 -5.173 200 HB2 SER 16 HB2 SER 16 2.653 4.352 -6.602 201 HB3 SER 16 HB3 SER 16 2.588 4.790 -6.109 202 HB3 SER 16 HB3 SER 16 3.460 5.641 -7.495 203 HG SER 16 HG SER 16 1.049 7.142 -6.021 204 HG SER 16 HG SER 16 2.394 7.124 -6.360 205 H ARG 17 H ARG 17 2.465 6.369 -8.693 206 H ARG 17 H ARG 17 2.534 6.593 -10.030 207 HA ARG 17 HA ARG 17 3.106 4.100 -10.441 208 HA ARG 17 HA ARG 17 3.022 4.357 -11.849 209 HB2 ARG 17 HB2 ARG 17 3.717 7.035 -10.828 210 HB2 ARG 17 HB2 ARG 17 3.252 5.963 -13.580 211 HB3 ARG 17 HB3 ARG 17 3.977 5.752 -12.005 212 HB3 ARG 17 HB3 ARG 17 1.889 6.493 -12.604 213 HG2 ARG 17 HG2 ARG 17 1.803 5.672 -12.602 214 HG2 ARG 17 HG2 ARG 17 4.167 7.714 -11.507 215 HG3 ARG 17 HG3 ARG 17 1.228 6.038 -10.973 216 HG3 ARG 17 HG3 ARG 17 4.297 7.886 -13.259 217 HD2 ARG 17 HD2 ARG 17 2.423 8.004 -12.928 218 HD2 ARG 17 HD2 ARG 17 3.089 9.758 -12.169 219 HD3 ARG 17 HD3 ARG 17 0.714 7.854 -12.519 220 HD3 ARG 17 HD3 ARG 17 2.123 8.906 -13.374 221 HE ARG 17 HE ARG 17 1.931 8.289 -10.124 222 HE ARG 17 HE ARG 17 1.417 7.665 -11.101 223 HH11 ARG 17 HH11 ARG 17 1.901 9.949 -13.184 224 HH11 ARG 17 HH11 ARG 17 1.645 11.034 -11.948 225 HH12 ARG 17 HH12 ARG 17 2.132 11.518 -12.484 226 HH12 ARG 17 HH12 ARG 17 0.382 11.526 -10.872 227 HH21 ARG 17 HH21 ARG 17 2.238 10.347 -9.190 228 HH21 ARG 17 HH21 ARG 17 -0.252 8.302 -9.681 229 HH22 ARG 17 HH22 ARG 17 2.325 11.743 -10.212 230 HH22 ARG 17 HH22 ARG 17 -0.699 9.971 -9.583 231 H ASN 18 H ASN 18 5.465 4.272 -11.320 232 H ASN 18 H ASN 18 4.638 4.626 -9.481 233 HA ASN 18 HA ASN 18 7.704 4.098 -10.938 234 HA ASN 18 HA ASN 18 7.250 4.726 -10.771 235 HB2 ASN 18 HB2 ASN 18 6.880 6.355 -9.335 236 HB2 ASN 18 HB2 ASN 18 6.345 6.865 -9.207 237 HB3 ASN 18 HB3 ASN 18 8.171 5.467 -8.526 238 HB3 ASN 18 HB3 ASN 18 7.425 5.957 -8.153 239 HD21 ASN 18 HD21 ASN 18 9.615 7.162 -8.839 240 HD21 ASN 18 HD21 ASN 18 7.224 8.265 -10.547 241 HD22 ASN 18 HD22 ASN 18 10.312 7.497 -10.385 242 HD22 ASN 18 HD22 ASN 18 8.893 8.324 -10.999 243 H SER 19 H SER 19 6.653 4.416 -7.563 244 H SER 19 H SER 19 5.387 4.050 -7.839 245 HA SER 19 HA SER 19 8.111 2.130 -6.739 246 HA SER 19 HA SER 19 7.320 1.934 -7.165 247 HB2 SER 19 HB2 SER 19 7.094 2.491 -4.556 248 HB2 SER 19 HB2 SER 19 6.486 2.076 -4.872 249 HB3 SER 19 HB3 SER 19 7.583 4.040 -5.242 250 HB3 SER 19 HB3 SER 19 7.008 3.666 -5.426 251 HG SER 19 HG SER 19 5.442 4.435 -5.789 252 HG SER 19 HG SER 19 4.953 4.329 -5.525 253 H GLY 20 H GLY 20 4.810 2.655 -7.756 254 H GLY 20 H GLY 20 4.188 2.526 -8.319 255 HA2 GLY 20 HA2 GLY 20 3.137 1.171 -8.276 256 HA2 GLY 20 HA2 GLY 20 2.466 1.120 -8.886 257 HA3 GLY 20 HA3 GLY 20 4.362 -0.090 -8.256 258 HA3 GLY 20 HA3 GLY 20 3.601 -0.206 -8.682 259 H ARG 21 H ARG 21 3.121 2.043 -5.692 260 H ARG 21 H ARG 21 3.273 1.751 -5.926 261 HA ARG 21 HA ARG 21 2.480 -0.378 -4.142 262 HA ARG 21 HA ARG 21 2.213 -0.370 -4.375 263 HB2 ARG 21 HB2 ARG 21 3.998 1.965 -3.477 264 HB2 ARG 21 HB2 ARG 21 3.026 2.439 -3.899 265 HB3 ARG 21 HB3 ARG 21 2.596 1.863 -2.422 266 HB3 ARG 21 HB3 ARG 21 1.876 1.758 -2.756 267 HG2 ARG 21 HG2 ARG 21 3.366 0.036 -1.348 268 HG2 ARG 21 HG2 ARG 21 3.397 0.368 -1.846 269 HG3 ARG 21 HG3 ARG 21 4.108 -0.638 -2.800 270 HG3 ARG 21 HG3 ARG 21 4.213 0.080 -3.382 271 HD2 ARG 21 HD2 ARG 21 5.852 -0.053 -1.267 272 HD2 ARG 21 HD2 ARG 21 5.715 1.273 -1.953 273 HD3 ARG 21 HD3 ARG 21 5.892 1.085 -2.612 274 HD3 ARG 21 HD3 ARG 21 5.177 2.371 -3.224 275 HE ARG 21 HE ARG 21 5.019 1.657 0.124 276 HE ARG 21 HE ARG 21 4.406 2.467 -0.399 277 HH11 ARG 21 HH11 ARG 21 5.709 2.747 -3.109 278 HH11 ARG 21 HH11 ARG 21 4.302 3.833 -3.600 279 HH12 ARG 21 HH12 ARG 21 5.724 4.426 -2.680 280 HH12 ARG 21 HH12 ARG 21 3.688 5.365 -3.066 281 HH21 ARG 21 HH21 ARG 21 5.035 3.865 0.701 282 HH21 ARG 21 HH21 ARG 21 3.599 4.478 0.314 283 HH22 ARG 21 HH22 ARG 21 5.342 5.060 -0.513 284 HH22 ARG 21 HH22 ARG 21 3.290 5.730 -0.841 285 H VAL 22 H VAL 22 0.423 -0.717 -3.612 286 H VAL 22 H VAL 22 0.281 0.058 -2.869 287 HA VAL 22 HA VAL 22 -1.629 1.046 -4.492 288 HA VAL 22 HA VAL 22 -1.895 1.474 -4.220 289 HB VAL 22 HB VAL 22 -1.823 -1.369 -2.688 290 HB VAL 22 HB VAL 22 -1.894 -0.947 -4.950 291 HG11 VAL 22 HG11 VAL 22 -3.758 0.111 -2.471 292 HG11 VAL 22 HG11 VAL 22 -2.651 -1.382 -2.062 293 HG12 VAL 22 HG12 VAL 22 -3.976 0.085 -4.222 294 HG12 VAL 22 HG12 VAL 22 -2.767 -2.591 -3.342 295 HG13 VAL 22 HG13 VAL 22 -4.189 -1.394 -3.285 296 HG13 VAL 22 HG13 VAL 22 -1.190 -1.961 -2.861 297 HG21 VAL 22 HG21 VAL 22 -2.538 -1.271 -5.598 298 HG21 VAL 22 HG21 VAL 22 -3.883 0.444 -5.103 299 HG22 VAL 22 HG22 VAL 22 -0.887 -1.611 -5.074 300 HG22 VAL 22 HG22 VAL 22 -4.319 -1.204 -4.650 301 HG23 VAL 22 HG23 VAL 22 -2.206 -2.674 -4.582 302 HG23 VAL 22 HG23 VAL 22 -4.296 0.068 -3.430 303 H TYR 23 H TYR 23 -2.933 2.420 -3.364 304 H TYR 23 H TYR 23 -3.383 2.341 -2.856 305 HA TYR 23 HA TYR 23 -2.682 2.609 -0.470 306 HA TYR 23 HA TYR 23 -3.464 1.507 -0.069 307 HB2 TYR 23 HB2 TYR 23 -2.037 4.905 -0.429 308 HB2 TYR 23 HB2 TYR 23 -3.173 3.836 0.738 309 HB3 TYR 23 HB3 TYR 23 -0.901 4.079 -1.490 310 HB3 TYR 23 HB3 TYR 23 -1.724 3.194 -0.031 311 HD1 TYR 23 HD1 TYR 23 -0.897 4.503 -3.881 312 HD1 TYR 23 HD1 TYR 23 -1.206 3.891 -2.405 313 HD2 TYR 23 HD2 TYR 23 -3.649 6.494 -1.317 314 HD2 TYR 23 HD2 TYR 23 -4.191 5.807 -0.055 315 HE1 TYR 23 HE1 TYR 23 -1.397 6.110 -5.675 316 HE1 TYR 23 HE1 TYR 23 -1.139 5.832 -3.914 317 HE2 TYR 23 HE2 TYR 23 -4.156 8.105 -3.106 318 HE2 TYR 23 HE2 TYR 23 -4.133 7.754 -1.558 319 HH TYR 23 HH TYR 23 -3.942 7.898 -5.887 320 HH TYR 23 HH TYR 23 -2.202 7.743 -4.505 321 H TYR 24 H TYR 24 -4.428 3.599 0.533 322 H TYR 24 H TYR 24 -5.107 3.074 1.113 323 HA TYR 24 HA TYR 24 -6.742 4.058 -1.223 324 HA TYR 24 HA TYR 24 -7.397 3.470 -0.699 325 HB2 TYR 24 HB2 TYR 24 -6.708 3.419 1.732 326 HB2 TYR 24 HB2 TYR 24 -7.421 2.430 2.141 327 HB3 TYR 24 HB3 TYR 24 -8.135 3.535 0.709 328 HB3 TYR 24 HB3 TYR 24 -8.860 2.818 1.204 329 HD1 TYR 24 HD1 TYR 24 -7.571 2.015 -1.624 330 HD1 TYR 24 HD1 TYR 24 -5.821 0.659 1.125 331 HD2 TYR 24 HD2 TYR 24 -6.356 1.237 2.379 332 HD2 TYR 24 HD2 TYR 24 -9.860 1.178 -0.108 333 HE1 TYR 24 HE1 TYR 24 -7.394 -0.382 -2.150 334 HE1 TYR 24 HE1 TYR 24 -5.825 -1.619 0.199 335 HE2 TYR 24 HE2 TYR 24 -6.173 -1.162 1.862 336 HE2 TYR 24 HE2 TYR 24 -9.876 -1.099 -1.038 337 HH TYR 24 HH TYR 24 -6.695 -2.381 -1.418 338 HH TYR 24 HH TYR 24 -7.210 -2.830 -1.705 339 H PHE 25 H PHE 25 -8.195 5.784 -0.748 340 H PHE 25 H PHE 25 -7.896 5.544 -0.856 341 HA PHE 25 HA PHE 25 -7.143 7.905 0.979 342 HA PHE 25 HA PHE 25 -7.560 7.258 1.518 343 HB2 PHE 25 HB2 PHE 25 -6.798 8.014 -1.735 344 HB2 PHE 25 HB2 PHE 25 -5.969 7.926 -0.167 345 HB3 PHE 25 HB3 PHE 25 -8.316 8.882 -1.534 346 HB3 PHE 25 HB3 PHE 25 -7.221 7.949 -1.405 347 HD1 PHE 25 HD1 PHE 25 -5.282 9.692 -2.269 348 HD1 PHE 25 HD1 PHE 25 -8.805 9.770 -1.540 349 HD2 PHE 25 HD2 PHE 25 -7.851 10.176 1.088 350 HD2 PHE 25 HD2 PHE 25 -5.775 9.709 1.450 351 HE1 PHE 25 HE1 PHE 25 -4.035 11.708 -1.611 352 HE1 PHE 25 HE1 PHE 25 -9.218 12.151 -1.078 353 HE2 PHE 25 HE2 PHE 25 -6.610 12.193 1.753 354 HE2 PHE 25 HE2 PHE 25 -6.184 12.090 1.918 355 HZ PHE 25 HZ PHE 25 -4.700 12.963 0.401 356 HZ PHE 25 HZ PHE 25 -7.908 13.314 0.654 357 H ASN 26 H ASN 26 -8.668 8.566 2.329 358 H ASN 26 H ASN 26 -9.346 8.169 2.290 359 HA ASN 26 HA ASN 26 -11.463 7.981 1.720 360 HA ASN 26 HA ASN 26 -11.768 8.106 0.625 361 HB2 ASN 26 HB2 ASN 26 -10.500 7.306 3.917 362 HB2 ASN 26 HB2 ASN 26 -11.879 6.840 2.741 363 HB3 ASN 26 HB3 ASN 26 -10.241 9.008 4.292 364 HB3 ASN 26 HB3 ASN 26 -11.521 8.314 3.635 365 HD21 ASN 26 HD21 ASN 26 -12.684 6.582 3.604 366 HD21 ASN 26 HD21 ASN 26 -13.654 7.317 4.531 367 HD22 ASN 26 HD22 ASN 26 -13.979 7.385 4.419 368 HD22 ASN 26 HD22 ASN 26 -15.098 8.021 3.893 369 H HIS 27 H HIS 27 -12.695 9.490 0.832 370 H HIS 27 H HIS 27 -12.666 9.947 -0.036 371 HA HIS 27 HA HIS 27 -11.896 12.290 0.980 372 HA HIS 27 HA HIS 27 -11.432 12.457 0.563 373 HB2 HIS 27 HB2 HIS 27 -13.427 12.679 -0.814 374 HB2 HIS 27 HB2 HIS 27 -13.311 13.377 -0.861 375 HB3 HIS 27 HB3 HIS 27 -12.556 11.195 -1.194 376 HB3 HIS 27 HB3 HIS 27 -12.288 12.176 -1.645 377 HD1 HIS 27 HD1 HIS 27 -13.938 9.153 -1.624 378 HD1 HIS 27 HD1 HIS 27 -15.622 12.294 0.186 379 HD2 HIS 27 HD2 HIS 27 -16.132 12.211 0.135 380 HD2 HIS 27 HD2 HIS 27 -13.688 10.182 -2.824 381 HE1 HIS 27 HE1 HIS 27 -16.328 8.374 -1.666 382 HE1 HIS 27 HE1 HIS 27 -17.342 10.709 -0.736 383 H ILE 28 H ILE 28 -13.258 10.597 3.163 384 H ILE 28 H ILE 28 -13.956 10.641 1.968 385 HA ILE 28 HA ILE 28 -15.609 12.304 3.605 386 HA ILE 28 HA ILE 28 -15.441 12.831 3.062 387 HB ILE 28 HB ILE 28 -14.854 9.682 4.896 388 HB ILE 28 HB ILE 28 -15.399 9.928 3.897 389 HG12 ILE 28 HG12 ILE 28 -16.991 10.451 2.902 390 HG12 ILE 28 HG12 ILE 28 -17.007 11.478 1.886 391 HG13 ILE 28 HG13 ILE 28 -15.642 9.348 2.645 392 HG13 ILE 28 HG13 ILE 28 -16.183 9.935 1.688 393 HG21 ILE 28 HG21 ILE 28 -17.012 9.798 6.024 394 HG21 ILE 28 HG21 ILE 28 -17.431 10.360 5.078 395 HG22 ILE 28 HG22 ILE 28 -15.992 11.163 6.472 396 HG22 ILE 28 HG22 ILE 28 -16.230 11.533 5.617 397 HG23 ILE 28 HG23 ILE 28 -17.305 11.386 5.317 398 HG23 ILE 28 HG23 ILE 28 -17.487 12.018 4.480 399 HD11 ILE 28 HD11 ILE 28 -16.610 7.796 4.259 400 HD11 ILE 28 HD11 ILE 28 -17.872 8.990 3.318 401 HD12 ILE 28 HD12 ILE 28 -17.964 8.899 4.507 402 HD12 ILE 28 HD12 ILE 28 -18.763 10.496 3.105 403 HD13 ILE 28 HD13 ILE 28 -17.722 8.140 2.933 404 HD13 ILE 28 HD13 ILE 28 -18.472 9.441 1.723 405 H THR 29 H THR 29 -12.597 11.200 5.053 406 H THR 29 H THR 29 -13.081 10.522 4.384 407 HA THR 29 HA THR 29 -12.691 13.486 6.877 408 HA THR 29 HA THR 29 -12.953 12.015 6.878 409 HB THR 29 HB THR 29 -11.787 12.027 8.727 410 HB THR 29 HB THR 29 -11.262 10.227 7.506 411 HG1 THR 29 HG1 THR 29 -12.788 9.955 7.040 412 HG1 THR 29 HG1 THR 29 -10.797 8.708 6.084 413 HG21 THR 29 HG21 THR 29 -14.135 10.918 9.099 414 HG21 THR 29 HG21 THR 29 -14.123 9.630 6.828 415 HG22 THR 29 HG22 THR 29 -14.581 11.870 7.683 416 HG22 THR 29 HG22 THR 29 -13.395 9.923 8.405 417 HG23 THR 29 HG23 THR 29 -13.965 12.673 9.126 418 HG23 THR 29 HG23 THR 29 -13.091 8.406 7.563 419 H ASN 30 H ASN 30 -11.188 12.754 4.430 420 H ASN 30 H ASN 30 -11.216 11.690 3.916 421 HA ASN 30 HA ASN 30 -9.054 12.705 3.611 422 HA ASN 30 HA ASN 30 -9.410 12.794 3.079 423 HB2 ASN 30 HB2 ASN 30 -8.129 14.274 5.978 424 HB2 ASN 30 HB2 ASN 30 -10.545 14.636 4.681 425 HB3 ASN 30 HB3 ASN 30 -7.799 14.527 4.267 426 HB3 ASN 30 HB3 ASN 30 -8.998 14.460 5.502 427 HD21 ASN 30 HD21 ASN 30 -10.210 14.685 3.136 428 HD21 ASN 30 HD21 ASN 30 -7.329 13.988 3.365 429 HD22 ASN 30 HD22 ASN 30 -11.110 16.014 3.777 430 HD22 ASN 30 HD22 ASN 30 -7.258 15.401 2.375 431 H ALA 31 H ALA 31 -9.775 10.582 5.526 432 H ALA 31 H ALA 31 -9.113 10.401 4.647 433 HA ALA 31 HA ALA 31 -7.427 10.048 7.097 434 HA ALA 31 HA ALA 31 -6.338 10.781 5.556 435 HB1 ALA 31 HB1 ALA 31 -9.956 9.260 7.372 436 HB1 ALA 31 HB1 ALA 31 -6.646 9.249 7.353 437 HB2 ALA 31 HB2 ALA 31 -9.334 7.867 6.486 438 HB2 ALA 31 HB2 ALA 31 -7.939 10.444 7.452 439 HB3 ALA 31 HB3 ALA 31 -8.598 8.337 8.018 440 HB3 ALA 31 HB3 ALA 31 -8.270 8.838 6.805 441 H SER 32 H SER 32 -5.760 8.677 6.659 442 H SER 32 H SER 32 -4.886 9.142 5.066 443 HA SER 32 HA SER 32 -5.772 7.298 4.061 444 HA SER 32 HA SER 32 -5.827 7.246 3.027 445 HB2 SER 32 HB2 SER 32 -4.394 9.055 3.477 446 HB2 SER 32 HB2 SER 32 -3.195 7.105 2.698 447 HB3 SER 32 HB3 SER 32 -3.785 9.265 5.119 448 HB3 SER 32 HB3 SER 32 -4.139 8.407 1.975 449 HG SER 32 HG SER 32 -2.230 8.343 3.686 450 HG SER 32 HG SER 32 -3.414 9.793 3.481 451 H GLN 33 H GLN 33 -5.134 5.237 4.145 452 H GLN 33 H GLN 33 -4.821 5.108 2.983 453 HA GLN 33 HA GLN 33 -3.458 4.342 6.372 454 HA GLN 33 HA GLN 33 -3.442 4.099 5.263 455 HB2 GLN 33 HB2 GLN 33 -5.578 2.439 5.689 456 HB2 GLN 33 HB2 GLN 33 -5.885 4.381 6.022 457 HB3 GLN 33 HB3 GLN 33 -4.967 2.928 7.264 458 HB3 GLN 33 HB3 GLN 33 -6.236 3.029 4.953 459 HG2 GLN 33 HG2 GLN 33 -6.280 5.093 6.882 460 HG2 GLN 33 HG2 GLN 33 -4.946 1.546 6.223 461 HG3 GLN 33 HG3 GLN 33 -7.101 4.204 5.599 462 HG3 GLN 33 HG3 GLN 33 -4.138 2.854 7.084 463 HE21 GLN 33 HE21 GLN 33 -7.889 1.981 6.331 464 HE21 GLN 33 HE21 GLN 33 -6.883 0.801 6.934 465 HE22 GLN 33 HE22 GLN 33 -8.691 1.932 7.860 466 HE22 GLN 33 HE22 GLN 33 -7.646 1.341 8.387 467 H PHE 34 H PHE 34 -2.929 1.893 5.997 468 H PHE 34 H PHE 34 -2.214 2.496 4.542 469 HA PHE 34 HA PHE 34 -2.435 1.467 3.126 470 HA PHE 34 HA PHE 34 -2.480 1.446 1.932 471 HB2 PHE 34 HB2 PHE 34 -0.506 1.896 5.191 472 HB2 PHE 34 HB2 PHE 34 -0.798 0.536 4.275 473 HB3 PHE 34 HB3 PHE 34 -0.352 0.237 4.625 474 HB3 PHE 34 HB3 PHE 34 -0.655 -0.119 2.647 475 HD1 PHE 34 HD1 PHE 34 -0.393 -0.008 1.986 476 HD1 PHE 34 HD1 PHE 34 -0.125 1.542 0.763 477 HD2 PHE 34 HD2 PHE 34 0.685 3.523 4.103 478 HD2 PHE 34 HD2 PHE 34 0.415 2.407 4.894 479 HE1 PHE 34 HE1 PHE 34 0.871 0.777 0.026 480 HE1 PHE 34 HE1 PHE 34 1.446 3.344 0.176 481 HE2 PHE 34 HE2 PHE 34 1.948 4.315 2.146 482 HE2 PHE 34 HE2 PHE 34 1.986 4.211 4.318 483 HZ PHE 34 HZ PHE 34 2.042 2.942 0.105 484 HZ PHE 34 HZ PHE 34 2.503 4.680 1.954 485 H GLU 35 H GLU 35 -4.554 0.408 4.781 486 H GLU 35 H GLU 35 -3.403 0.251 5.108 487 HA GLU 35 HA GLU 35 -4.087 -2.416 4.275 488 HA GLU 35 HA GLU 35 -4.188 -2.338 4.106 489 HB2 GLU 35 HB2 GLU 35 -4.457 -1.236 6.982 490 HB2 GLU 35 HB2 GLU 35 -4.917 -1.169 6.785 491 HB3 GLU 35 HB3 GLU 35 -5.275 -2.751 6.639 492 HB3 GLU 35 HB3 GLU 35 -4.780 -2.865 6.342 493 HG2 GLU 35 HG2 GLU 35 -3.300 -3.498 7.517 494 HG2 GLU 35 HG2 GLU 35 -2.807 -2.679 7.400 495 HG3 GLU 35 HG3 GLU 35 -2.931 -3.505 5.794 496 HG3 GLU 35 HG3 GLU 35 -2.277 -2.083 5.828 497 H ARG 36 H ARG 36 -6.095 -3.694 4.421 498 H ARG 36 H ARG 36 -6.374 -3.167 4.262 499 HA ARG 36 HA ARG 36 -8.165 -2.608 2.958 500 HA ARG 36 HA ARG 36 -8.296 -1.229 3.293 501 HB2 ARG 36 HB2 ARG 36 -7.652 -5.071 3.505 502 HB2 ARG 36 HB2 ARG 36 -7.985 -3.501 2.264 503 HB3 ARG 36 HB3 ARG 36 -8.617 -4.815 4.953 504 HB3 ARG 36 HB3 ARG 36 -8.680 -4.194 3.722 505 HG2 ARG 36 HG2 ARG 36 -10.083 -5.750 3.385 506 HG2 ARG 36 HG2 ARG 36 -10.642 -2.529 3.174 507 HG3 ARG 36 HG3 ARG 36 -10.465 -4.026 3.404 508 HG3 ARG 36 HG3 ARG 36 -9.981 -2.651 1.543 509 HD2 ARG 36 HD2 ARG 36 -10.009 -3.853 1.237 510 HD2 ARG 36 HD2 ARG 36 -10.820 -4.977 3.273 511 HD3 ARG 36 HD3 ARG 36 -8.405 -4.545 1.481 512 HD3 ARG 36 HD3 ARG 36 -11.769 -4.290 1.956 513 HE ARG 36 HE ARG 36 -10.238 -6.640 1.505 514 HE ARG 36 HE ARG 36 -9.165 -5.083 1.104 515 HH11 ARG 36 HH11 ARG 36 -9.032 -4.245 -0.714 516 HH11 ARG 36 HH11 ARG 36 -12.360 -6.259 1.832 517 HH12 ARG 36 HH12 ARG 36 -9.285 -5.228 -2.118 518 HH12 ARG 36 HH12 ARG 36 -12.231 -7.639 0.792 519 HH21 ARG 36 HH21 ARG 36 -10.574 -7.946 -0.335 520 HH21 ARG 36 HH21 ARG 36 -8.983 -6.895 -0.269 521 HH22 ARG 36 HH22 ARG 36 -10.162 -7.333 -1.901 522 HH22 ARG 36 HH22 ARG 36 -10.310 -8.001 -0.402 523 HA PRO 37 HA PRO 37 -9.923 0.028 6.144 524 HA PRO 37 HA PRO 37 -9.870 -0.724 7.464 525 HB2 PRO 37 HB2 PRO 37 -11.622 1.315 4.465 526 HB2 PRO 37 HB2 PRO 37 -11.606 1.261 6.821 527 HB3 PRO 37 HB3 PRO 37 -9.905 1.712 4.584 528 HB3 PRO 37 HB3 PRO 37 -9.873 1.535 7.045 529 HG2 PRO 37 HG2 PRO 37 -11.323 0.028 2.556 530 HG2 PRO 37 HG2 PRO 37 -11.427 1.195 4.508 531 HG3 PRO 37 HG3 PRO 37 -10.056 1.244 2.312 532 HG3 PRO 37 HG3 PRO 37 -10.139 2.353 4.883 533 HD2 PRO 37 HD2 PRO 37 -9.539 -1.413 2.328 534 HD2 PRO 37 HD2 PRO 37 -9.698 0.098 3.452 535 HD3 PRO 37 HD3 PRO 37 -8.369 -0.211 2.906 536 HD3 PRO 37 HD3 PRO 37 -8.468 0.807 4.520 537 H SER 38 H SER 38 -11.762 -0.109 7.351 538 H SER 38 H SER 38 -11.732 -1.348 8.518 539 HA SER 38 HA SER 38 -13.853 -1.942 6.376 540 HA SER 38 HA SER 38 -13.468 -3.123 7.130 541 HB2 SER 38 HB2 SER 38 -12.472 -2.778 8.310 542 HB2 SER 38 HB2 SER 38 -14.638 -3.307 9.319 543 HB3 SER 38 HB3 SER 38 -13.115 -1.443 9.266 544 HB3 SER 38 HB3 SER 38 -12.896 -3.542 9.454 545 HG SER 38 HG SER 38 -14.932 -2.484 9.475 546 HG SER 38 HG SER 38 -13.907 -2.101 11.044 547 H GLY 39 H GLY 39 -15.981 -1.594 7.639 548 H GLY 39 H GLY 39 -14.416 -0.330 9.134 549 HA2 GLY 39 HA2 GLY 39 -16.455 1.225 8.267 550 HA2 GLY 39 HA2 GLY 39 -15.641 1.431 7.694 551 HA3 GLY 39 HA3 GLY 39 -17.358 0.531 6.928 552 HA3 GLY 39 HA3 GLY 39 -16.695 0.075 7.315 Start of MODEL 11 1 H1 SER 5 H SER 5 -10.654 -4.999 -7.997 2 H1 SER 5 H SER 5 -10.611 -6.432 -6.209 3 HA SER 5 HA SER 5 -10.480 -2.948 -5.969 4 HA SER 5 HA SER 5 -10.670 -4.131 -6.028 5 HB2 SER 5 HB2 SER 5 -10.505 -2.060 -8.143 6 HB2 SER 5 HB2 SER 5 -12.082 -4.387 -8.299 7 HB3 SER 5 HB3 SER 5 -11.800 -3.135 -8.668 8 HB3 SER 5 HB3 SER 5 -13.376 -3.848 -7.229 9 HG SER 5 HG SER 5 -11.928 -0.741 -7.265 10 HG SER 5 HG SER 5 -12.542 -1.923 -7.227 11 H LYS 6 H LYS 6 -11.525 -3.639 -4.148 12 H LYS 6 H LYS 6 -11.608 -6.027 -4.133 13 HA LYS 6 HA LYS 6 -14.434 -3.718 -4.307 14 HA LYS 6 HA LYS 6 -14.072 -5.146 -2.984 15 HB2 LYS 6 HB2 LYS 6 -12.966 -5.842 -2.753 16 HB2 LYS 6 HB2 LYS 6 -11.904 -6.672 -1.551 17 HB3 LYS 6 HB3 LYS 6 -14.685 -5.755 -3.113 18 HB3 LYS 6 HB3 LYS 6 -13.635 -6.689 -1.233 19 HG2 LYS 6 HG2 LYS 6 -14.221 -6.156 -5.472 20 HG2 LYS 6 HG2 LYS 6 -13.370 -7.523 -3.882 21 HG3 LYS 6 HG3 LYS 6 -12.492 -6.221 -5.124 22 HG3 LYS 6 HG3 LYS 6 -12.077 -8.339 -2.999 23 HD2 LYS 6 HD2 LYS 6 -12.772 -8.421 -4.858 24 HD2 LYS 6 HD2 LYS 6 -13.642 -9.833 -2.427 25 HD3 LYS 6 HD3 LYS 6 -13.576 -8.024 -3.335 26 HD3 LYS 6 HD3 LYS 6 -14.225 -8.599 -1.308 27 HE2 LYS 6 HE2 LYS 6 -15.226 -9.267 -4.288 28 HE2 LYS 6 HE2 LYS 6 -16.082 -9.400 -2.598 29 HE3 LYS 6 HE3 LYS 6 -15.646 -7.696 -4.967 30 HE3 LYS 6 HE3 LYS 6 -15.714 -7.753 -3.108 31 HZ1 LYS 6 HZ1 LYS 6 -15.541 -9.640 -6.558 32 HZ1 LYS 6 HZ1 LYS 6 -15.025 -10.266 -4.526 33 HZ2 LYS 6 HZ2 LYS 6 -13.861 -9.589 -6.376 34 HZ2 LYS 6 HZ2 LYS 6 -14.429 -8.747 -4.972 35 HZ3 LYS 6 HZ3 LYS 6 -14.684 -8.253 -7.012 36 HZ3 LYS 6 HZ3 LYS 6 -16.090 -9.058 -5.041 37 H LEU 7 H LEU 7 -14.323 -1.687 -3.279 38 H LEU 7 H LEU 7 -14.431 -3.488 -1.661 39 HA LEU 7 HA LEU 7 -13.547 -1.818 -0.439 40 HA LEU 7 HA LEU 7 -12.638 -2.581 0.313 41 HB2 LEU 7 HB2 LEU 7 -13.144 0.306 -2.490 42 HB2 LEU 7 HB2 LEU 7 -11.849 -0.543 -0.557 43 HB3 LEU 7 HB3 LEU 7 -13.399 0.784 -0.812 44 HB3 LEU 7 HB3 LEU 7 -11.505 -1.763 -1.781 45 HG LEU 7 HG LEU 7 -11.412 -0.342 -0.113 46 HG LEU 7 HG LEU 7 -14.025 -0.629 -2.401 47 HD11 LEU 7 HD11 LEU 7 -11.540 -1.569 -2.829 48 HD11 LEU 7 HD11 LEU 7 -13.099 1.226 -0.891 49 HD12 LEU 7 HD12 LEU 7 -11.263 -2.329 -1.263 50 HD12 LEU 7 HD12 LEU 7 -13.682 1.674 -2.493 51 HD13 LEU 7 HD13 LEU 7 -9.982 -1.387 -2.023 52 HD13 LEU 7 HD13 LEU 7 -11.951 1.525 -2.195 53 HD21 LEU 7 HD21 LEU 7 -9.840 0.682 -2.090 54 HD21 LEU 7 HD21 LEU 7 -12.419 -1.604 -3.973 55 HD22 LEU 7 HD22 LEU 7 -10.519 1.610 -0.753 56 HD22 LEU 7 HD22 LEU 7 -11.317 -0.260 -3.679 57 HD23 LEU 7 HD23 LEU 7 -11.338 1.587 -2.316 58 HD23 LEU 7 HD23 LEU 7 -12.879 0.032 -4.444 59 HA PRO 8 HA PRO 8 -17.633 -0.668 0.673 60 HA PRO 8 HA PRO 8 -16.326 -0.728 1.808 61 HB2 PRO 8 HB2 PRO 8 -17.196 0.918 2.831 62 HB2 PRO 8 HB2 PRO 8 -15.342 1.319 3.296 63 HB3 PRO 8 HB3 PRO 8 -16.968 -0.835 2.865 64 HB3 PRO 8 HB3 PRO 8 -15.213 -0.374 3.787 65 HG2 PRO 8 HG2 PRO 8 -14.930 1.335 2.547 66 HG2 PRO 8 HG2 PRO 8 -13.170 1.380 2.477 67 HG3 PRO 8 HG3 PRO 8 -14.852 -0.137 3.533 68 HG3 PRO 8 HG3 PRO 8 -12.967 0.227 3.809 69 HD2 PRO 8 HD2 PRO 8 -13.628 0.073 1.127 70 HD2 PRO 8 HD2 PRO 8 -12.281 -0.362 1.257 71 HD3 PRO 8 HD3 PRO 8 -14.285 -1.461 1.735 72 HD3 PRO 8 HD3 PRO 8 -12.878 -1.588 2.392 73 HA PRO 9 HA PRO 9 -18.866 3.264 -0.859 74 HA PRO 9 HA PRO 9 -17.560 2.648 -0.731 75 HB2 PRO 9 HB2 PRO 9 -20.804 4.056 0.871 76 HB2 PRO 9 HB2 PRO 9 -19.472 3.798 0.817 77 HB3 PRO 9 HB3 PRO 9 -21.029 2.740 -0.288 78 HB3 PRO 9 HB3 PRO 9 -19.705 2.253 -0.007 79 HG2 PRO 9 HG2 PRO 9 -20.365 2.602 2.628 80 HG2 PRO 9 HG2 PRO 9 -18.982 2.785 2.847 81 HG3 PRO 9 HG3 PRO 9 -21.510 1.622 1.693 82 HG3 PRO 9 HG3 PRO 9 -20.133 1.610 2.186 83 HD2 PRO 9 HD2 PRO 9 -19.040 0.737 2.364 84 HD2 PRO 9 HD2 PRO 9 -17.639 0.917 2.983 85 HD3 PRO 9 HD3 PRO 9 -19.852 0.257 0.859 86 HD3 PRO 9 HD3 PRO 9 -18.474 0.102 1.646 87 H GLY 10 H GLY 10 -17.569 4.992 -0.801 88 H GLY 10 H GLY 10 -17.129 4.792 -1.098 89 HA2 GLY 10 HA2 GLY 10 -17.335 7.192 0.314 90 HA2 GLY 10 HA2 GLY 10 -16.642 7.021 -0.510 91 HA3 GLY 10 HA3 GLY 10 -17.121 6.298 1.813 92 HA3 GLY 10 HA3 GLY 10 -16.354 6.499 1.144 93 H TRP 11 H TRP 11 -15.489 4.272 0.250 94 H TRP 11 H TRP 11 -14.565 4.352 0.477 95 HA TRP 11 HA TRP 11 -12.970 5.746 0.461 96 HA TRP 11 HA TRP 11 -12.152 5.899 0.205 97 HB2 TRP 11 HB2 TRP 11 -13.735 2.860 0.644 98 HB2 TRP 11 HB2 TRP 11 -12.551 2.914 0.507 99 HB3 TRP 11 HB3 TRP 11 -12.084 3.277 0.191 100 HB3 TRP 11 HB3 TRP 11 -11.005 3.751 0.609 101 HD1 TRP 11 HD1 TRP 11 -14.486 3.343 3.150 102 HD1 TRP 11 HD1 TRP 11 -14.317 3.369 2.533 103 HE1 TRP 11 HE1 TRP 11 -13.152 3.858 5.290 104 HE1 TRP 11 HE1 TRP 11 -13.903 4.018 4.989 105 HE3 TRP 11 HE3 TRP 11 -9.974 4.494 1.038 106 HE3 TRP 11 HE3 TRP 11 -9.506 5.051 2.130 107 HZ2 TRP 11 HZ2 TRP 11 -10.535 4.649 5.991 108 HZ2 TRP 11 HZ2 TRP 11 -11.815 5.100 6.549 109 HZ3 TRP 11 HZ3 TRP 11 -8.107 5.121 2.515 110 HZ3 TRP 11 HZ3 TRP 11 -8.371 5.877 4.152 111 HH2 TRP 11 HH2 TRP 11 -8.384 5.196 4.939 112 HH2 TRP 11 HH2 TRP 11 -9.504 5.900 6.314 113 H GLU 12 H GLU 12 -11.309 5.482 -1.140 114 H GLU 12 H GLU 12 -10.639 5.800 -1.432 115 HA GLU 12 HA GLU 12 -12.294 4.684 -3.794 116 HA GLU 12 HA GLU 12 -11.545 4.494 -3.914 117 HB2 GLU 12 HB2 GLU 12 -12.337 7.175 -3.498 118 HB2 GLU 12 HB2 GLU 12 -9.738 6.902 -3.797 119 HB3 GLU 12 HB3 GLU 12 -10.594 7.126 -3.270 120 HB3 GLU 12 HB3 GLU 12 -10.618 6.271 -5.181 121 HG2 GLU 12 HG2 GLU 12 -10.391 6.106 -5.528 122 HG2 GLU 12 HG2 GLU 12 -12.684 6.795 -3.572 123 HG3 GLU 12 HG3 GLU 12 -12.120 6.363 -5.745 124 HG3 GLU 12 HG3 GLU 12 -11.540 7.996 -2.973 125 H LYS 13 H LYS 13 -11.062 3.125 -4.585 126 H LYS 13 H LYS 13 -10.067 3.373 -5.147 127 HA LYS 13 HA LYS 13 -8.440 2.599 -3.504 128 HA LYS 13 HA LYS 13 -7.575 2.680 -3.769 129 HB2 LYS 13 HB2 LYS 13 -10.015 0.776 -4.073 130 HB2 LYS 13 HB2 LYS 13 -8.893 0.757 -4.251 131 HB3 LYS 13 HB3 LYS 13 -9.911 1.235 -5.768 132 HB3 LYS 13 HB3 LYS 13 -9.187 1.287 -5.902 133 HG2 LYS 13 HG2 LYS 13 -7.326 0.724 -4.486 134 HG2 LYS 13 HG2 LYS 13 -6.358 0.969 -5.297 135 HG3 LYS 13 HG3 LYS 13 -8.396 -0.675 -4.582 136 HG3 LYS 13 HG3 LYS 13 -7.286 -0.519 -5.099 137 HD2 LYS 13 HD2 LYS 13 -8.712 0.150 -7.060 138 HD2 LYS 13 HD2 LYS 13 -8.279 0.433 -7.449 139 HD3 LYS 13 HD3 LYS 13 -7.154 0.927 -6.769 140 HD3 LYS 13 HD3 LYS 13 -6.602 0.974 -7.532 141 HE2 LYS 13 HE2 LYS 13 -6.536 -1.467 -5.837 142 HE2 LYS 13 HE2 LYS 13 -5.788 -1.136 -7.682 143 HE3 LYS 13 HE3 LYS 13 -7.848 -1.965 -6.904 144 HE3 LYS 13 HE3 LYS 13 -7.044 -1.809 -6.645 145 HZ1 LYS 13 HZ1 LYS 13 -5.193 -1.100 -7.557 146 HZ1 LYS 13 HZ1 LYS 13 -6.920 -1.726 -9.477 147 HZ2 LYS 13 HZ2 LYS 13 -6.376 -0.278 -8.443 148 HZ2 LYS 13 HZ2 LYS 13 -8.329 -0.965 -8.933 149 HZ3 LYS 13 HZ3 LYS 13 -6.305 -1.968 -8.492 150 HZ3 LYS 13 HZ3 LYS 13 -8.001 -2.562 -8.481 151 H ARG 14 H ARG 14 -6.833 3.900 -4.141 152 H ARG 14 H ARG 14 -5.786 3.661 -4.421 153 HA ARG 14 HA ARG 14 -6.628 4.557 -7.004 154 HA ARG 14 HA ARG 14 -5.478 4.265 -7.286 155 HB2 ARG 14 HB2 ARG 14 -5.334 5.986 -4.677 156 HB2 ARG 14 HB2 ARG 14 -4.250 6.005 -5.171 157 HB3 ARG 14 HB3 ARG 14 -5.312 6.491 -6.361 158 HB3 ARG 14 HB3 ARG 14 -4.584 6.381 -6.856 159 HG2 ARG 14 HG2 ARG 14 -7.998 6.118 -5.276 160 HG2 ARG 14 HG2 ARG 14 -7.086 5.901 -5.873 161 HG3 ARG 14 HG3 ARG 14 -7.060 7.376 -4.467 162 HG3 ARG 14 HG3 ARG 14 -6.278 6.661 -4.500 163 HD2 ARG 14 HD2 ARG 14 -8.263 8.391 -6.266 164 HD2 ARG 14 HD2 ARG 14 -5.837 8.618 -5.695 165 HD3 ARG 14 HD3 ARG 14 -6.557 8.341 -6.710 166 HD3 ARG 14 HD3 ARG 14 -6.085 7.831 -7.253 167 HE ARG 14 HE ARG 14 -7.498 6.090 -7.828 168 HE ARG 14 HE ARG 14 -8.105 8.957 -5.528 169 HH11 ARG 14 HH11 ARG 14 -8.633 9.380 -7.890 170 HH11 ARG 14 HH11 ARG 14 -7.432 6.767 -8.150 171 HH12 ARG 14 HH12 ARG 14 -9.336 9.245 -9.469 172 HH12 ARG 14 HH12 ARG 14 -9.047 6.811 -8.772 173 HH21 ARG 14 HH21 ARG 14 -8.419 5.900 -9.906 174 HH21 ARG 14 HH21 ARG 14 -10.235 9.022 -6.339 175 HH22 ARG 14 HH22 ARG 14 -9.214 7.265 -10.614 176 HH22 ARG 14 HH22 ARG 14 -10.641 8.094 -7.742 177 H MET 15 H MET 15 -4.328 4.843 -7.772 178 H MET 15 H MET 15 -3.391 4.079 -8.138 179 HA MET 15 HA MET 15 -2.553 2.855 -6.518 180 HA MET 15 HA MET 15 -1.470 2.678 -6.397 181 HB2 MET 15 HB2 MET 15 -3.797 2.357 -8.835 182 HB2 MET 15 HB2 MET 15 -2.688 1.534 -8.488 183 HB3 MET 15 HB3 MET 15 -2.414 3.244 -9.461 184 HB3 MET 15 HB3 MET 15 -1.345 2.287 -9.338 185 HG2 MET 15 HG2 MET 15 -1.611 1.258 -7.526 186 HG2 MET 15 HG2 MET 15 -0.015 0.638 -8.728 187 HG3 MET 15 HG3 MET 15 -2.530 0.547 -8.851 188 HG3 MET 15 HG3 MET 15 -0.315 1.004 -7.031 189 HE1 MET 15 HE1 MET 15 -1.106 -0.826 -9.663 190 HE1 MET 15 HE1 MET 15 -1.070 -2.654 -9.159 191 HE2 MET 15 HE2 MET 15 -0.124 -0.384 -11.059 192 HE2 MET 15 HE2 MET 15 -2.056 -1.492 -10.044 193 HE3 MET 15 HE3 MET 15 0.639 -0.639 -9.488 194 HE3 MET 15 HE3 MET 15 -0.350 -1.154 -9.747 195 H SER 16 H SER 16 -0.320 3.240 -6.683 196 H SER 16 H SER 16 0.304 3.815 -6.011 197 HA SER 16 HA SER 16 0.360 6.032 -7.325 198 HA SER 16 HA SER 16 0.939 6.240 -7.260 199 HB2 SER 16 HB2 SER 16 0.712 5.585 -4.987 200 HB2 SER 16 HB2 SER 16 3.173 4.726 -6.031 201 HB3 SER 16 HB3 SER 16 1.598 4.105 -5.350 202 HB3 SER 16 HB3 SER 16 2.633 6.379 -5.738 203 HG SER 16 HG SER 16 2.652 6.409 -4.961 204 HG SER 16 HG SER 16 1.390 5.695 -4.179 205 H ARG 17 H ARG 17 2.639 6.374 -8.036 206 H ARG 17 H ARG 17 1.956 6.721 -9.094 207 HA ARG 17 HA ARG 17 3.492 4.187 -9.819 208 HA ARG 17 HA ARG 17 2.511 4.966 -11.108 209 HB2 ARG 17 HB2 ARG 17 4.327 5.889 -11.359 210 HB2 ARG 17 HB2 ARG 17 2.424 7.380 -11.447 211 HB3 ARG 17 HB3 ARG 17 2.610 6.116 -11.050 212 HB3 ARG 17 HB3 ARG 17 3.915 7.582 -10.536 213 HG2 ARG 17 HG2 ARG 17 2.923 8.082 -9.951 214 HG2 ARG 17 HG2 ARG 17 4.958 6.041 -12.314 215 HG3 ARG 17 HG3 ARG 17 4.518 7.623 -9.354 216 HG3 ARG 17 HG3 ARG 17 3.518 6.421 -13.263 217 HD2 ARG 17 HD2 ARG 17 4.434 9.451 -11.116 218 HD2 ARG 17 HD2 ARG 17 5.639 8.296 -12.248 219 HD3 ARG 17 HD3 ARG 17 5.547 8.115 -11.407 220 HD3 ARG 17 HD3 ARG 17 5.164 7.983 -13.918 221 HE ARG 17 HE ARG 17 4.289 7.496 -13.226 222 HE ARG 17 HE ARG 17 3.987 9.859 -12.138 223 HH11 ARG 17 HH11 ARG 17 2.532 9.826 -11.329 224 HH11 ARG 17 HH11 ARG 17 3.258 7.666 -14.741 225 HH12 ARG 17 HH12 ARG 17 1.291 10.052 -12.516 226 HH12 ARG 17 HH12 ARG 17 1.875 8.559 -15.280 227 HH21 ARG 17 HH21 ARG 17 2.661 7.785 -14.798 228 HH21 ARG 17 HH21 ARG 17 2.169 11.045 -12.838 229 HH22 ARG 17 HH22 ARG 17 1.366 8.889 -14.489 230 HH22 ARG 17 HH22 ARG 17 1.257 10.482 -14.197 231 H ASN 18 H ASN 18 5.892 4.632 -10.543 232 H ASN 18 H ASN 18 4.609 5.907 -8.453 233 HA ASN 18 HA ASN 18 8.060 4.382 -9.876 234 HA ASN 18 HA ASN 18 6.767 4.237 -9.518 235 HB2 ASN 18 HB2 ASN 18 7.204 6.913 -8.485 236 HB2 ASN 18 HB2 ASN 18 6.737 6.140 -7.164 237 HB3 ASN 18 HB3 ASN 18 8.860 6.319 -8.379 238 HB3 ASN 18 HB3 ASN 18 8.144 5.246 -7.729 239 HD21 ASN 18 HD21 ASN 18 10.009 7.648 -9.599 240 HD21 ASN 18 HD21 ASN 18 8.520 7.816 -7.596 241 HD22 ASN 18 HD22 ASN 18 9.665 8.057 -11.242 242 HD22 ASN 18 HD22 ASN 18 8.459 8.577 -9.147 243 H SER 19 H SER 19 6.098 2.905 -8.342 244 H SER 19 H SER 19 7.179 2.272 -8.739 245 HA SER 19 HA SER 19 7.741 1.952 -6.268 246 HA SER 19 HA SER 19 7.194 0.434 -7.390 247 HB2 SER 19 HB2 SER 19 6.117 4.206 -5.555 248 HB2 SER 19 HB2 SER 19 7.129 2.621 -5.561 249 HB3 SER 19 HB3 SER 19 5.537 2.783 -4.689 250 HB3 SER 19 HB3 SER 19 6.041 1.373 -4.957 251 HG SER 19 HG SER 19 8.144 3.887 -4.685 252 HG SER 19 HG SER 19 8.741 0.966 -5.738 253 H GLY 20 H GLY 20 4.491 2.285 -7.571 254 H GLY 20 H GLY 20 4.605 1.941 -8.534 255 HA2 GLY 20 HA2 GLY 20 2.872 0.713 -7.995 256 HA2 GLY 20 HA2 GLY 20 2.326 1.536 -8.594 257 HA3 GLY 20 HA3 GLY 20 4.118 -0.507 -7.787 258 HA3 GLY 20 HA3 GLY 20 2.877 -0.130 -8.695 259 H ARG 21 H ARG 21 3.047 1.838 -5.377 260 H ARG 21 H ARG 21 3.202 2.026 -5.921 261 HA ARG 21 HA ARG 21 2.232 -0.418 -3.676 262 HA ARG 21 HA ARG 21 2.164 0.073 -4.137 263 HB2 ARG 21 HB2 ARG 21 3.826 1.898 -3.191 264 HB2 ARG 21 HB2 ARG 21 3.041 2.920 -3.894 265 HB3 ARG 21 HB3 ARG 21 2.382 2.010 -2.193 266 HB3 ARG 21 HB3 ARG 21 2.126 2.199 -2.578 267 HG2 ARG 21 HG2 ARG 21 2.973 0.254 -0.897 268 HG2 ARG 21 HG2 ARG 21 3.830 0.862 -1.941 269 HG3 ARG 21 HG3 ARG 21 3.772 -0.597 -2.221 270 HG3 ARG 21 HG3 ARG 21 4.414 0.636 -3.592 271 HD2 ARG 21 HD2 ARG 21 5.447 0.072 -0.652 272 HD2 ARG 21 HD2 ARG 21 6.050 1.894 -2.371 273 HD3 ARG 21 HD3 ARG 21 5.613 1.078 -2.089 274 HD3 ARG 21 HD3 ARG 21 5.279 2.966 -3.539 275 HE ARG 21 HE ARG 21 4.613 1.933 0.526 276 HE ARG 21 HE ARG 21 4.922 3.017 -0.632 277 HH11 ARG 21 HH11 ARG 21 5.503 2.695 -2.753 278 HH11 ARG 21 HH11 ARG 21 4.277 4.378 -3.771 279 HH12 ARG 21 HH12 ARG 21 5.552 4.405 -2.480 280 HH12 ARG 21 HH12 ARG 21 3.668 5.873 -3.142 281 HH21 ARG 21 HH21 ARG 21 4.675 4.182 0.897 282 HH21 ARG 21 HH21 ARG 21 4.123 4.981 0.208 283 HH22 ARG 21 HH22 ARG 21 5.081 5.250 -0.403 284 HH22 ARG 21 HH22 ARG 21 3.580 6.215 -0.878 285 H VAL 22 H VAL 22 0.132 -0.722 -3.387 286 H VAL 22 H VAL 22 0.123 -0.373 -3.651 287 HA VAL 22 HA VAL 22 -1.830 1.094 -4.341 288 HA VAL 22 HA VAL 22 -1.971 1.487 -4.517 289 HB VAL 22 HB VAL 22 -2.166 -1.307 -2.538 290 HB VAL 22 HB VAL 22 -1.839 -1.118 -5.034 291 HG11 VAL 22 HG11 VAL 22 -4.073 0.209 -2.410 292 HG11 VAL 22 HG11 VAL 22 -1.882 -1.524 -2.494 293 HG12 VAL 22 HG12 VAL 22 -4.206 0.203 -4.170 294 HG12 VAL 22 HG12 VAL 22 -3.605 -1.158 -2.610 295 HG13 VAL 22 HG13 VAL 22 -4.502 -1.276 -3.257 296 HG13 VAL 22 HG13 VAL 22 -2.925 -2.512 -3.515 297 HG21 VAL 22 HG21 VAL 22 -1.151 -1.495 -4.943 298 HG21 VAL 22 HG21 VAL 22 -4.265 -1.096 -5.360 299 HG22 VAL 22 HG22 VAL 22 -2.389 -2.631 -4.407 300 HG22 VAL 22 HG22 VAL 22 -4.391 0.339 -4.342 301 HG23 VAL 22 HG23 VAL 22 -2.825 -1.275 -5.448 302 HG23 VAL 22 HG23 VAL 22 -3.533 0.422 -5.881 303 H TYR 23 H TYR 23 -2.919 2.672 -3.338 304 H TYR 23 H TYR 23 -3.556 2.240 -3.140 305 HA TYR 23 HA TYR 23 -2.797 2.843 -0.410 306 HA TYR 23 HA TYR 23 -3.586 1.441 -0.359 307 HB2 TYR 23 HB2 TYR 23 -2.180 5.139 -0.431 308 HB2 TYR 23 HB2 TYR 23 -3.237 3.757 0.471 309 HB3 TYR 23 HB3 TYR 23 -1.061 4.328 -1.521 310 HB3 TYR 23 HB3 TYR 23 -1.807 3.083 -0.301 311 HD1 TYR 23 HD1 TYR 23 -1.132 4.735 -3.911 312 HD1 TYR 23 HD1 TYR 23 -1.128 3.871 -2.549 313 HD2 TYR 23 HD2 TYR 23 -3.874 6.665 -1.290 314 HD2 TYR 23 HD2 TYR 23 -4.341 5.678 -0.422 315 HE1 TYR 23 HE1 TYR 23 -1.730 6.308 -5.703 316 HE1 TYR 23 HE1 TYR 23 -1.009 5.824 -4.040 317 HE2 TYR 23 HE2 TYR 23 -4.480 8.243 -3.075 318 HE2 TYR 23 HE2 TYR 23 -4.230 7.635 -1.908 319 HH TYR 23 HH TYR 23 -4.210 8.801 -5.208 320 HH TYR 23 HH TYR 23 -1.754 7.890 -4.432 321 H TYR 24 H TYR 24 -4.611 3.632 0.568 322 H TYR 24 H TYR 24 -5.206 2.967 0.856 323 HA TYR 24 HA TYR 24 -6.905 4.129 -1.199 324 HA TYR 24 HA TYR 24 -7.468 3.518 -0.951 325 HB2 TYR 24 HB2 TYR 24 -6.946 3.373 1.727 326 HB2 TYR 24 HB2 TYR 24 -7.561 2.302 1.818 327 HB3 TYR 24 HB3 TYR 24 -8.318 3.418 0.626 328 HB3 TYR 24 HB3 TYR 24 -8.972 2.768 0.877 329 HD1 TYR 24 HD1 TYR 24 -7.778 1.940 -1.631 330 HD1 TYR 24 HD1 TYR 24 -9.743 1.418 -0.959 331 HD2 TYR 24 HD2 TYR 24 -6.227 1.260 2.272 332 HD2 TYR 24 HD2 TYR 24 -6.193 0.376 1.140 333 HE1 TYR 24 HE1 TYR 24 -7.404 -0.423 -2.198 334 HE1 TYR 24 HE1 TYR 24 -9.772 -0.800 -2.023 335 HE2 TYR 24 HE2 TYR 24 -5.848 -1.106 1.717 336 HE2 TYR 24 HE2 TYR 24 -6.212 -1.844 0.083 337 HH TYR 24 HH TYR 24 -6.803 -2.787 0.078 338 HH TYR 24 HH TYR 24 -8.754 -2.758 -2.228 339 H PHE 25 H PHE 25 -8.306 5.856 -0.818 340 H PHE 25 H PHE 25 -8.058 5.574 -0.929 341 HA PHE 25 HA PHE 25 -7.470 7.850 1.162 342 HA PHE 25 HA PHE 25 -7.660 7.132 1.540 343 HB2 PHE 25 HB2 PHE 25 -6.805 8.131 -1.489 344 HB2 PHE 25 HB2 PHE 25 -6.050 7.922 -0.045 345 HB3 PHE 25 HB3 PHE 25 -8.320 9.020 -1.393 346 HB3 PHE 25 HB3 PHE 25 -7.254 7.981 -1.329 347 HD1 PHE 25 HD1 PHE 25 -5.226 9.824 -1.742 348 HD1 PHE 25 HD1 PHE 25 -8.791 9.811 -1.513 349 HD2 PHE 25 HD2 PHE 25 -8.115 10.088 1.373 350 HD2 PHE 25 HD2 PHE 25 -6.010 9.615 1.706 351 HE1 PHE 25 HE1 PHE 25 -4.028 11.755 -0.798 352 HE1 PHE 25 HE1 PHE 25 -9.254 12.167 -0.974 353 HE2 PHE 25 HE2 PHE 25 -6.921 12.020 2.320 354 HE2 PHE 25 HE2 PHE 25 -6.471 11.970 2.250 355 HZ PHE 25 HZ PHE 25 -4.875 12.857 1.234 356 HZ PHE 25 HZ PHE 25 -8.095 13.248 0.911 357 H ASN 26 H ASN 26 -9.172 8.250 2.397 358 H ASN 26 H ASN 26 -9.341 8.334 2.255 359 HA ASN 26 HA ASN 26 -11.860 7.808 1.377 360 HA ASN 26 HA ASN 26 -11.759 8.404 0.571 361 HB2 ASN 26 HB2 ASN 26 -11.078 6.975 3.639 362 HB2 ASN 26 HB2 ASN 26 -12.140 6.842 2.365 363 HB3 ASN 26 HB3 ASN 26 -11.072 8.656 4.167 364 HB3 ASN 26 HB3 ASN 26 -11.538 7.991 3.558 365 HD21 ASN 26 HD21 ASN 26 -12.620 6.734 5.396 366 HD21 ASN 26 HD21 ASN 26 -13.810 8.315 0.856 367 HD22 ASN 26 HD22 ASN 26 -14.288 7.071 5.093 368 HD22 ASN 26 HD22 ASN 26 -15.122 8.912 1.808 369 H HIS 27 H HIS 27 -13.035 9.394 0.549 370 H HIS 27 H HIS 27 -12.995 10.270 0.596 371 HA HIS 27 HA HIS 27 -12.189 12.133 0.738 372 HA HIS 27 HA HIS 27 -11.574 12.668 1.365 373 HB2 HIS 27 HB2 HIS 27 -14.063 12.608 -0.751 374 HB2 HIS 27 HB2 HIS 27 -13.545 13.816 0.286 375 HB3 HIS 27 HB3 HIS 27 -13.156 11.218 -1.340 376 HB3 HIS 27 HB3 HIS 27 -12.637 12.739 -0.772 377 HD1 HIS 27 HD1 HIS 27 -16.292 11.901 0.699 378 HD1 HIS 27 HD1 HIS 27 -13.774 10.319 -1.159 379 HD2 HIS 27 HD2 HIS 27 -14.712 9.074 -1.903 380 HD2 HIS 27 HD2 HIS 27 -16.212 13.278 0.445 381 HE1 HIS 27 HE1 HIS 27 -18.137 10.237 0.313 382 HE1 HIS 27 HE1 HIS 27 -16.129 9.504 -1.493 383 H ILE 28 H ILE 28 -13.975 10.157 2.726 384 H ILE 28 H ILE 28 -14.216 10.754 2.528 385 HA ILE 28 HA ILE 28 -15.763 12.266 3.667 386 HA ILE 28 HA ILE 28 -15.341 12.780 4.216 387 HB ILE 28 HB ILE 28 -15.529 9.400 4.590 388 HB ILE 28 HB ILE 28 -15.715 9.788 4.161 389 HG12 ILE 28 HG12 ILE 28 -17.271 10.766 2.556 390 HG12 ILE 28 HG12 ILE 28 -17.456 12.095 3.268 391 HG13 ILE 28 HG13 ILE 28 -16.353 9.272 2.397 392 HG13 ILE 28 HG13 ILE 28 -16.627 10.948 2.223 393 HG21 ILE 28 HG21 ILE 28 -17.552 9.757 5.803 394 HG21 ILE 28 HG21 ILE 28 -17.639 10.182 5.663 395 HG22 ILE 28 HG22 ILE 28 -16.423 11.035 6.256 396 HG22 ILE 28 HG22 ILE 28 -16.088 10.542 6.419 397 HG23 ILE 28 HG23 ILE 28 -17.735 11.377 5.128 398 HG23 ILE 28 HG23 ILE 28 -17.117 11.855 5.847 399 HD11 ILE 28 HD11 ILE 28 -18.671 8.734 2.494 400 HD11 ILE 28 HD11 ILE 28 -18.941 10.368 2.336 401 HD12 ILE 28 HD12 ILE 28 -17.924 8.216 4.006 402 HD12 ILE 28 HD12 ILE 28 -18.012 9.142 3.202 403 HD13 ILE 28 HD13 ILE 28 -18.885 9.693 3.958 404 HD13 ILE 28 HD13 ILE 28 -18.903 10.373 4.100 405 H THR 29 H THR 29 -13.236 10.110 4.941 406 H THR 29 H THR 29 -12.821 10.415 4.497 407 HA THR 29 HA THR 29 -13.011 11.820 7.313 408 HA THR 29 HA THR 29 -12.674 10.696 7.395 409 HB THR 29 HB THR 29 -11.610 10.020 8.257 410 HB THR 29 HB THR 29 -10.919 9.021 7.322 411 HG1 THR 29 HG1 THR 29 -11.384 8.086 7.092 412 HG1 THR 29 HG1 THR 29 -9.932 8.462 5.490 413 HG21 THR 29 HG21 THR 29 -13.457 8.213 8.209 414 HG21 THR 29 HG21 THR 29 -12.426 7.448 5.571 415 HG22 THR 29 HG22 THR 29 -14.358 9.377 7.238 416 HG22 THR 29 HG22 THR 29 -13.565 8.618 6.238 417 HG23 THR 29 HG23 THR 29 -13.848 9.798 8.873 418 HG23 THR 29 HG23 THR 29 -12.627 7.584 7.317 419 H ASN 30 H ASN 30 -11.773 11.817 4.333 420 H ASN 30 H ASN 30 -11.048 11.783 4.506 421 HA ASN 30 HA ASN 30 -9.817 12.463 3.343 422 HA ASN 30 HA ASN 30 -9.460 13.375 4.160 423 HB2 ASN 30 HB2 ASN 30 -9.206 14.128 5.752 424 HB2 ASN 30 HB2 ASN 30 -10.863 14.300 6.321 425 HB3 ASN 30 HB3 ASN 30 -9.088 14.545 4.045 426 HB3 ASN 30 HB3 ASN 30 -9.223 14.250 6.959 427 HD21 ASN 30 HD21 ASN 30 -11.531 13.977 3.081 428 HD21 ASN 30 HD21 ASN 30 -7.771 14.854 4.702 429 HD22 ASN 30 HD22 ASN 30 -12.732 14.958 3.844 430 HD22 ASN 30 HD22 ASN 30 -8.117 16.477 4.218 431 H ALA 31 H ALA 31 -9.651 10.119 5.093 432 H ALA 31 H ALA 31 -8.675 10.726 4.743 433 HA ALA 31 HA ALA 31 -6.921 10.330 6.141 434 HA ALA 31 HA ALA 31 -5.919 11.187 5.419 435 HB1 ALA 31 HB1 ALA 31 -9.019 8.201 6.527 436 HB1 ALA 31 HB1 ALA 31 -6.978 9.024 7.097 437 HB2 ALA 31 HB2 ALA 31 -7.396 8.156 7.217 438 HB2 ALA 31 HB2 ALA 31 -5.765 10.253 7.456 439 HB3 ALA 31 HB3 ALA 31 -8.522 9.424 7.698 440 HB3 ALA 31 HB3 ALA 31 -7.481 10.647 7.568 441 H SER 32 H SER 32 -5.316 8.805 5.572 442 H SER 32 H SER 32 -4.552 9.496 4.775 443 HA SER 32 HA SER 32 -5.853 7.174 3.194 444 HA SER 32 HA SER 32 -5.862 7.499 3.055 445 HB2 SER 32 HB2 SER 32 -4.165 8.099 1.912 446 HB2 SER 32 HB2 SER 32 -3.147 7.513 2.422 447 HB3 SER 32 HB3 SER 32 -4.739 9.529 2.768 448 HB3 SER 32 HB3 SER 32 -4.439 8.290 1.507 449 HG SER 32 HG SER 32 -2.304 8.519 2.769 450 HG SER 32 HG SER 32 -3.766 10.170 2.173 451 H GLN 33 H GLN 33 -4.762 5.265 3.115 452 H GLN 33 H GLN 33 -4.897 5.367 2.929 453 HA GLN 33 HA GLN 33 -2.434 4.729 4.680 454 HA GLN 33 HA GLN 33 -3.112 4.557 5.060 455 HB2 GLN 33 HB2 GLN 33 -3.315 3.221 6.280 456 HB2 GLN 33 HB2 GLN 33 -5.858 4.440 5.517 457 HB3 GLN 33 HB3 GLN 33 -4.312 4.667 6.376 458 HB3 GLN 33 HB3 GLN 33 -5.422 2.796 5.068 459 HG2 GLN 33 HG2 GLN 33 -6.040 3.586 5.056 460 HG2 GLN 33 HG2 GLN 33 -3.923 2.585 6.857 461 HG3 GLN 33 HG3 GLN 33 -5.034 2.146 4.896 462 HG3 GLN 33 HG3 GLN 33 -3.906 4.322 7.156 463 HE21 GLN 33 HE21 GLN 33 -7.585 2.028 5.924 464 HE21 GLN 33 HE21 GLN 33 -6.390 1.801 6.845 465 HE22 GLN 33 HE22 GLN 33 -7.507 1.629 7.604 466 HE22 GLN 33 HE22 GLN 33 -7.238 2.222 8.289 467 H PHE 34 H PHE 34 -1.749 2.435 4.484 468 H PHE 34 H PHE 34 -2.111 2.581 4.687 469 HA PHE 34 HA PHE 34 -2.646 1.350 1.904 470 HA PHE 34 HA PHE 34 -2.131 1.717 1.942 471 HB2 PHE 34 HB2 PHE 34 -0.108 0.455 3.198 472 HB2 PHE 34 HB2 PHE 34 -0.544 0.878 4.366 473 HB3 PHE 34 HB3 PHE 34 -0.496 0.625 1.490 474 HB3 PHE 34 HB3 PHE 34 -0.376 0.079 2.807 475 HD1 PHE 34 HD1 PHE 34 -1.251 3.285 1.048 476 HD1 PHE 34 HD1 PHE 34 0.125 1.652 0.787 477 HD2 PHE 34 HD2 PHE 34 1.622 1.810 3.822 478 HD2 PHE 34 HD2 PHE 34 0.802 2.677 4.861 479 HE1 PHE 34 HE1 PHE 34 -0.096 5.458 1.002 480 HE1 PHE 34 HE1 PHE 34 1.746 3.365 0.083 481 HE2 PHE 34 HE2 PHE 34 2.780 3.981 3.781 482 HE2 PHE 34 HE2 PHE 34 2.422 4.391 4.165 483 HZ PHE 34 HZ PHE 34 1.921 5.809 2.371 484 HZ PHE 34 HZ PHE 34 2.895 4.737 1.773 485 H GLU 35 H GLU 35 -4.362 0.688 3.804 486 H GLU 35 H GLU 35 -3.173 0.428 5.050 487 HA GLU 35 HA GLU 35 -3.894 -2.168 4.140 488 HA GLU 35 HA GLU 35 -3.930 -2.121 3.923 489 HB2 GLU 35 HB2 GLU 35 -4.126 -0.214 6.363 490 HB2 GLU 35 HB2 GLU 35 -4.689 -1.047 6.636 491 HB3 GLU 35 HB3 GLU 35 -5.008 -1.724 6.542 492 HB3 GLU 35 HB3 GLU 35 -4.600 -2.728 6.126 493 HG2 GLU 35 HG2 GLU 35 -2.993 -2.199 7.548 494 HG2 GLU 35 HG2 GLU 35 -2.588 -2.749 7.066 495 HG3 GLU 35 HG3 GLU 35 -2.763 -2.838 5.922 496 HG3 GLU 35 HG3 GLU 35 -2.053 -1.820 5.667 497 H ARG 36 H ARG 36 -5.732 -3.387 4.035 498 H ARG 36 H ARG 36 -6.211 -2.935 4.408 499 HA ARG 36 HA ARG 36 -7.963 -2.435 2.729 500 HA ARG 36 HA ARG 36 -8.076 -1.021 3.254 501 HB2 ARG 36 HB2 ARG 36 -7.275 -4.847 3.057 502 HB2 ARG 36 HB2 ARG 36 -7.860 -3.331 2.337 503 HB3 ARG 36 HB3 ARG 36 -8.012 -4.761 4.650 504 HB3 ARG 36 HB3 ARG 36 -8.485 -3.953 3.858 505 HG2 ARG 36 HG2 ARG 36 -9.722 -5.658 3.432 506 HG2 ARG 36 HG2 ARG 36 -10.427 -2.199 3.239 507 HG3 ARG 36 HG3 ARG 36 -10.101 -3.939 3.306 508 HG3 ARG 36 HG3 ARG 36 -9.885 -2.648 1.623 509 HD2 ARG 36 HD2 ARG 36 -9.099 -3.825 1.125 510 HD2 ARG 36 HD2 ARG 36 -10.736 -4.561 3.794 511 HD3 ARG 36 HD3 ARG 36 -8.515 -5.484 1.262 512 HD3 ARG 36 HD3 ARG 36 -11.711 -4.085 2.404 513 HE ARG 36 HE ARG 36 -11.125 -4.646 0.472 514 HE ARG 36 HE ARG 36 -9.271 -5.115 1.485 515 HH11 ARG 36 HH11 ARG 36 -9.353 -7.184 2.065 516 HH11 ARG 36 HH11 ARG 36 -12.184 -6.167 3.074 517 HH12 ARG 36 HH12 ARG 36 -10.522 -8.409 1.701 518 HH12 ARG 36 HH12 ARG 36 -12.102 -7.779 2.444 519 HH21 ARG 36 HH21 ARG 36 -12.672 -6.251 -0.015 520 HH21 ARG 36 HH21 ARG 36 -9.152 -7.234 0.648 521 HH22 ARG 36 HH22 ARG 36 -12.409 -7.877 0.516 522 HH22 ARG 36 HH22 ARG 36 -10.375 -8.385 1.065 523 HA PRO 37 HA PRO 37 -9.758 -0.072 6.107 524 HA PRO 37 HA PRO 37 -9.560 -0.235 7.423 525 HB2 PRO 37 HB2 PRO 37 -11.634 1.141 4.562 526 HB2 PRO 37 HB2 PRO 37 -11.183 1.819 6.706 527 HB3 PRO 37 HB3 PRO 37 -9.948 1.671 4.621 528 HB3 PRO 37 HB3 PRO 37 -9.436 2.000 6.910 529 HG2 PRO 37 HG2 PRO 37 -11.328 -0.042 2.588 530 HG2 PRO 37 HG2 PRO 37 -11.021 1.646 4.397 531 HG3 PRO 37 HG3 PRO 37 -10.174 1.282 2.339 532 HG3 PRO 37 HG3 PRO 37 -9.666 2.742 4.718 533 HD2 PRO 37 HD2 PRO 37 -9.450 -1.324 2.217 534 HD2 PRO 37 HD2 PRO 37 -9.364 0.408 3.380 535 HD3 PRO 37 HD3 PRO 37 -8.350 -0.055 2.792 536 HD3 PRO 37 HD3 PRO 37 -8.089 1.087 4.413 537 H SER 38 H SER 38 -11.317 -0.685 7.472 538 H SER 38 H SER 38 -11.575 -0.443 8.492 539 HA SER 38 HA SER 38 -13.006 -2.895 6.866 540 HA SER 38 HA SER 38 -13.617 -1.841 6.897 541 HB2 SER 38 HB2 SER 38 -13.938 -2.500 9.139 542 HB2 SER 38 HB2 SER 38 -12.438 -3.115 8.750 543 HB3 SER 38 HB3 SER 38 -12.174 -2.568 9.130 544 HB3 SER 38 HB3 SER 38 -13.247 -2.039 9.890 545 HG SER 38 HG SER 38 -12.594 -0.785 10.282 546 HG SER 38 HG SER 38 -14.639 -3.555 7.945 547 H GLY 39 H GLY 39 -14.052 0.265 8.136 548 H GLY 39 H GLY 39 -15.873 -1.653 7.817 549 HA2 GLY 39 HA2 GLY 39 -15.578 1.707 6.961 550 HA2 GLY 39 HA2 GLY 39 -16.768 0.966 7.712 551 HA3 GLY 39 HA3 GLY 39 -16.182 0.295 6.103 552 HA3 GLY 39 HA3 GLY 39 -17.686 -0.368 8.395 Start of MODEL 12 1 H1 SER 5 H SER 5 -13.018 -0.375 -7.316 2 H1 SER 5 H SER 5 -13.007 -1.429 -7.411 3 HA SER 5 HA SER 5 -13.552 -2.620 -7.906 4 HA SER 5 HA SER 5 -13.419 -3.711 -7.024 5 HB2 SER 5 HB2 SER 5 -11.235 -2.160 -8.437 6 HB2 SER 5 HB2 SER 5 -11.722 -3.929 -8.570 7 HB3 SER 5 HB3 SER 5 -10.743 -2.507 -6.777 8 HB3 SER 5 HB3 SER 5 -10.539 -3.114 -7.548 9 HG SER 5 HG SER 5 -11.258 -4.652 -7.095 10 HG SER 5 HG SER 5 -10.196 -4.951 -6.446 11 H LYS 6 H LYS 6 -12.326 -2.261 -4.619 12 H LYS 6 H LYS 6 -14.154 -4.493 -5.155 13 HA LYS 6 HA LYS 6 -14.095 -4.363 -3.716 14 HA LYS 6 HA LYS 6 -14.238 -5.270 -3.017 15 HB2 LYS 6 HB2 LYS 6 -11.099 -4.615 -3.595 16 HB2 LYS 6 HB2 LYS 6 -11.290 -5.829 -3.337 17 HB3 LYS 6 HB3 LYS 6 -12.137 -5.452 -2.450 18 HB3 LYS 6 HB3 LYS 6 -12.442 -6.677 -2.312 19 HG2 LYS 6 HG2 LYS 6 -13.313 -6.453 -4.453 20 HG2 LYS 6 HG2 LYS 6 -13.552 -7.597 -4.246 21 HG3 LYS 6 HG3 LYS 6 -11.985 -5.817 -5.427 22 HG3 LYS 6 HG3 LYS 6 -12.510 -6.666 -5.322 23 HD2 LYS 6 HD2 LYS 6 -10.532 -7.371 -4.682 24 HD2 LYS 6 HD2 LYS 6 -11.301 -8.572 -5.369 25 HD3 LYS 6 HD3 LYS 6 -11.170 -7.324 -3.036 26 HD3 LYS 6 HD3 LYS 6 -10.653 -7.956 -3.847 27 HE2 LYS 6 HE2 LYS 6 -12.891 -8.829 -3.541 28 HE2 LYS 6 HE2 LYS 6 -12.148 -9.306 -2.575 29 HE3 LYS 6 HE3 LYS 6 -12.714 -8.588 -5.278 30 HE3 LYS 6 HE3 LYS 6 -13.061 -9.756 -4.015 31 HZ1 LYS 6 HZ1 LYS 6 -11.714 -10.676 -3.976 32 HZ1 LYS 6 HZ1 LYS 6 -10.295 -10.567 -3.317 33 HZ2 LYS 6 HZ2 LYS 6 -10.382 -9.637 -3.900 34 HZ2 LYS 6 HZ2 LYS 6 -10.995 -10.850 -4.830 35 HZ3 LYS 6 HZ3 LYS 6 -11.037 -10.062 -5.401 36 HZ3 LYS 6 HZ3 LYS 6 -11.656 -11.564 -3.446 37 H LEU 7 H LEU 7 -13.964 -1.550 -3.287 38 H LEU 7 H LEU 7 -14.627 -3.233 -2.069 39 HA LEU 7 HA LEU 7 -13.289 -1.460 -0.419 40 HA LEU 7 HA LEU 7 -12.825 -2.502 -0.032 41 HB2 LEU 7 HB2 LEU 7 -13.016 0.550 -2.598 42 HB2 LEU 7 HB2 LEU 7 -12.206 -0.268 -0.770 43 HB3 LEU 7 HB3 LEU 7 -13.364 1.120 -0.967 44 HB3 LEU 7 HB3 LEU 7 -11.567 -1.503 -1.854 45 HG LEU 7 HG LEU 7 -11.311 0.214 -0.139 46 HG LEU 7 HG LEU 7 -13.797 -0.900 -3.191 47 HD11 LEU 7 HD11 LEU 7 -9.736 -0.804 -1.955 48 HD11 LEU 7 HD11 LEU 7 -13.225 1.451 -1.442 49 HD12 LEU 7 HD12 LEU 7 -11.251 -1.183 -2.774 50 HD12 LEU 7 HD12 LEU 7 -14.773 0.753 -1.915 51 HD13 LEU 7 HD13 LEU 7 -10.942 -1.813 -1.155 52 HD13 LEU 7 HD13 LEU 7 -13.840 1.697 -3.076 53 HD21 LEU 7 HD21 LEU 7 -11.463 2.284 -1.926 54 HD21 LEU 7 HD21 LEU 7 -11.152 0.536 -3.233 55 HD22 LEU 7 HD22 LEU 7 -10.166 1.297 -2.597 56 HD22 LEU 7 HD22 LEU 7 -12.391 0.747 -4.472 57 HD23 LEU 7 HD23 LEU 7 -10.057 1.886 -0.939 58 HD23 LEU 7 HD23 LEU 7 -11.660 -0.838 -4.216 59 HA PRO 8 HA PRO 8 -17.486 -0.619 0.549 60 HA PRO 8 HA PRO 8 -16.506 -0.764 1.608 61 HB2 PRO 8 HB2 PRO 8 -17.228 1.081 2.650 62 HB2 PRO 8 HB2 PRO 8 -15.504 1.109 3.298 63 HB3 PRO 8 HB3 PRO 8 -16.864 -0.645 2.761 64 HB3 PRO 8 HB3 PRO 8 -15.406 -0.624 3.620 65 HG2 PRO 8 HG2 PRO 8 -14.996 1.667 2.398 66 HG2 PRO 8 HG2 PRO 8 -13.325 1.216 2.504 67 HG3 PRO 8 HG3 PRO 8 -14.826 0.243 3.444 68 HG3 PRO 8 HG3 PRO 8 -13.150 -0.065 3.718 69 HD2 PRO 8 HD2 PRO 8 -13.564 0.455 1.057 70 HD2 PRO 8 HD2 PRO 8 -12.452 -0.410 1.124 71 HD3 PRO 8 HD3 PRO 8 -14.112 -1.101 1.713 72 HD3 PRO 8 HD3 PRO 8 -13.077 -1.734 2.129 73 HA PRO 9 HA PRO 9 -18.989 3.143 -1.163 74 HA PRO 9 HA PRO 9 -17.677 2.874 -0.572 75 HB2 PRO 9 HB2 PRO 9 -21.020 3.847 0.495 76 HB2 PRO 9 HB2 PRO 9 -19.545 3.921 1.097 77 HB3 PRO 9 HB3 PRO 9 -21.118 2.473 -0.611 78 HB3 PRO 9 HB3 PRO 9 -19.826 2.467 0.135 79 HG2 PRO 9 HG2 PRO 9 -20.509 2.504 2.319 80 HG2 PRO 9 HG2 PRO 9 -19.065 2.710 3.018 81 HG3 PRO 9 HG3 PRO 9 -21.552 1.399 1.405 82 HG3 PRO 9 HG3 PRO 9 -20.251 1.632 2.262 83 HD2 PRO 9 HD2 PRO 9 -19.036 0.739 2.158 84 HD2 PRO 9 HD2 PRO 9 -17.772 0.804 2.964 85 HD3 PRO 9 HD3 PRO 9 -19.774 0.136 0.659 86 HD3 PRO 9 HD3 PRO 9 -18.641 0.139 1.567 87 H GLY 10 H GLY 10 -17.599 4.826 -1.092 88 H GLY 10 H GLY 10 -17.207 5.036 -0.738 89 HA2 GLY 10 HA2 GLY 10 -17.648 7.135 -0.068 90 HA2 GLY 10 HA2 GLY 10 -16.624 7.180 0.020 91 HA3 GLY 10 HA3 GLY 10 -17.374 6.306 1.455 92 HA3 GLY 10 HA3 GLY 10 -16.398 6.523 1.634 93 H TRP 11 H TRP 11 -15.561 4.354 0.129 94 H TRP 11 H TRP 11 -14.707 4.322 0.590 95 HA TRP 11 HA TRP 11 -13.171 6.013 0.262 96 HA TRP 11 HA TRP 11 -12.219 5.829 0.537 97 HB2 TRP 11 HB2 TRP 11 -13.721 3.078 0.472 98 HB2 TRP 11 HB2 TRP 11 -12.668 2.840 0.689 99 HB3 TRP 11 HB3 TRP 11 -12.099 3.620 0.055 100 HB3 TRP 11 HB3 TRP 11 -11.133 3.672 0.924 101 HD1 TRP 11 HD1 TRP 11 -14.639 3.733 2.931 102 HD1 TRP 11 HD1 TRP 11 -14.559 3.217 2.631 103 HE1 TRP 11 HE1 TRP 11 -13.381 4.294 5.105 104 HE1 TRP 11 HE1 TRP 11 -14.281 3.712 5.141 105 HE3 TRP 11 HE3 TRP 11 -10.023 4.725 0.968 106 HE3 TRP 11 HE3 TRP 11 -9.711 4.834 2.606 107 HZ2 TRP 11 HZ2 TRP 11 -10.778 5.057 5.886 108 HZ2 TRP 11 HZ2 TRP 11 -12.272 4.664 6.881 109 HZ3 TRP 11 HZ3 TRP 11 -8.204 5.364 2.497 110 HZ3 TRP 11 HZ3 TRP 11 -8.684 5.519 4.735 111 HH2 TRP 11 HH2 TRP 11 -8.576 5.525 4.905 112 HH2 TRP 11 HH2 TRP 11 -9.941 5.436 6.827 113 H GLU 12 H GLU 12 -11.417 5.692 -1.297 114 H GLU 12 H GLU 12 -10.816 5.919 -1.145 115 HA GLU 12 HA GLU 12 -12.361 4.890 -3.965 116 HA GLU 12 HA GLU 12 -11.688 4.645 -3.653 117 HB2 GLU 12 HB2 GLU 12 -10.701 7.350 -3.398 118 HB2 GLU 12 HB2 GLU 12 -11.089 7.338 -3.070 119 HB3 GLU 12 HB3 GLU 12 -11.279 6.817 -4.969 120 HB3 GLU 12 HB3 GLU 12 -9.762 6.745 -4.061 121 HG2 GLU 12 HG2 GLU 12 -13.494 7.075 -3.184 122 HG2 GLU 12 HG2 GLU 12 -11.347 6.016 -5.762 123 HG3 GLU 12 HG3 GLU 12 -12.535 8.553 -3.153 124 HG3 GLU 12 HG3 GLU 12 -12.684 6.593 -4.768 125 H LYS 13 H LYS 13 -11.024 3.556 -4.995 126 H LYS 13 H LYS 13 -10.378 3.232 -4.622 127 HA LYS 13 HA LYS 13 -8.499 2.862 -3.763 128 HA LYS 13 HA LYS 13 -7.749 2.753 -3.429 129 HB2 LYS 13 HB2 LYS 13 -10.008 1.109 -4.610 130 HB2 LYS 13 HB2 LYS 13 -9.217 0.821 -3.573 131 HB3 LYS 13 HB3 LYS 13 -9.840 1.755 -6.237 132 HB3 LYS 13 HB3 LYS 13 -9.428 1.074 -5.301 133 HG2 LYS 13 HG2 LYS 13 -7.724 0.935 -6.496 134 HG2 LYS 13 HG2 LYS 13 -6.937 0.723 -5.528 135 HG3 LYS 13 HG3 LYS 13 -7.380 0.970 -4.764 136 HG3 LYS 13 HG3 LYS 13 -6.957 0.176 -3.850 137 HD2 LYS 13 HD2 LYS 13 -8.557 -1.011 -4.373 138 HD2 LYS 13 HD2 LYS 13 -8.976 -1.301 -4.857 139 HD3 LYS 13 HD3 LYS 13 -9.428 -0.904 -5.906 140 HD3 LYS 13 HD3 LYS 13 -7.964 -1.141 -6.294 141 HE2 LYS 13 HE2 LYS 13 -7.877 -2.155 -6.886 142 HE2 LYS 13 HE2 LYS 13 -6.472 -1.781 -3.864 143 HE3 LYS 13 HE3 LYS 13 -6.639 -0.974 -6.462 144 HE3 LYS 13 HE3 LYS 13 -7.649 -3.013 -4.316 145 HZ1 LYS 13 HZ1 LYS 13 -7.141 -3.544 -5.338 146 HZ1 LYS 13 HZ1 LYS 13 -6.026 -1.992 -6.489 147 HZ2 LYS 13 HZ2 LYS 13 -7.117 -2.347 -4.144 148 HZ2 LYS 13 HZ2 LYS 13 -6.482 -3.582 -6.132 149 HZ3 LYS 13 HZ3 LYS 13 -5.787 -2.546 -5.170 150 HZ3 LYS 13 HZ3 LYS 13 -5.180 -2.871 -5.317 151 H ARG 14 H ARG 14 -6.626 3.764 -4.285 152 H ARG 14 H ARG 14 -6.150 3.865 -4.346 153 HA ARG 14 HA ARG 14 -6.324 4.923 -6.978 154 HA ARG 14 HA ARG 14 -5.991 3.884 -7.285 155 HB2 ARG 14 HB2 ARG 14 -5.005 5.924 -4.451 156 HB2 ARG 14 HB2 ARG 14 -5.069 6.164 -5.538 157 HB3 ARG 14 HB3 ARG 14 -4.930 6.661 -6.045 158 HB3 ARG 14 HB3 ARG 14 -5.182 6.135 -7.291 159 HG2 ARG 14 HG2 ARG 14 -7.660 6.330 -5.153 160 HG2 ARG 14 HG2 ARG 14 -7.756 5.568 -6.445 161 HG3 ARG 14 HG3 ARG 14 -6.703 7.276 -4.011 162 HG3 ARG 14 HG3 ARG 14 -7.184 6.801 -5.317 163 HD2 ARG 14 HD2 ARG 14 -7.688 8.779 -5.597 164 HD2 ARG 14 HD2 ARG 14 -6.783 8.344 -7.035 165 HD3 ARG 14 HD3 ARG 14 -5.955 8.695 -5.913 166 HD3 ARG 14 HD3 ARG 14 -6.830 7.098 -8.281 167 HE ARG 14 HE ARG 14 -6.395 7.724 -7.949 168 HE ARG 14 HE ARG 14 -9.305 7.481 -6.838 169 HH11 ARG 14 HH11 ARG 14 -9.293 7.778 -6.021 170 HH11 ARG 14 HH11 ARG 14 -7.383 8.363 -9.603 171 HH12 ARG 14 HH12 ARG 14 -10.328 7.304 -7.327 172 HH12 ARG 14 HH12 ARG 14 -8.737 8.913 -10.534 173 HH21 ARG 14 HH21 ARG 14 -7.746 7.098 -9.677 174 HH21 ARG 14 HH21 ARG 14 -11.096 8.203 -8.052 175 HH22 ARG 14 HH22 ARG 14 -9.446 6.916 -9.407 176 HH22 ARG 14 HH22 ARG 14 -10.848 8.823 -9.649 177 H MET 15 H MET 15 -4.050 5.059 -7.721 178 H MET 15 H MET 15 -3.819 4.060 -8.144 179 HA MET 15 HA MET 15 -2.356 2.942 -6.588 180 HA MET 15 HA MET 15 -1.779 3.059 -6.267 181 HB2 MET 15 HB2 MET 15 -3.727 2.464 -8.822 182 HB2 MET 15 HB2 MET 15 -2.765 1.536 -8.185 183 HB3 MET 15 HB3 MET 15 -2.369 3.317 -9.541 184 HB3 MET 15 HB3 MET 15 -1.635 2.439 -9.185 185 HG2 MET 15 HG2 MET 15 -1.486 1.321 -7.650 186 HG2 MET 15 HG2 MET 15 0.146 1.374 -8.356 187 HG3 MET 15 HG3 MET 15 -2.505 0.625 -8.909 188 HG3 MET 15 HG3 MET 15 -0.477 1.410 -6.708 189 HE1 MET 15 HE1 MET 15 0.941 -0.420 -9.810 190 HE1 MET 15 HE1 MET 15 -1.385 -1.612 -9.986 191 HE2 MET 15 HE2 MET 15 -0.672 -0.802 -9.203 192 HE2 MET 15 HE2 MET 15 -0.729 0.019 -10.133 193 HE3 MET 15 HE3 MET 15 -0.407 -0.595 -10.936 194 HE3 MET 15 HE3 MET 15 0.307 -1.303 -9.590 195 H SER 16 H SER 16 -0.155 3.288 -6.686 196 H SER 16 H SER 16 0.080 4.158 -6.149 197 HA SER 16 HA SER 16 0.647 6.040 -7.049 198 HA SER 16 HA SER 16 0.385 6.523 -7.812 199 HB2 SER 16 HB2 SER 16 1.532 3.866 -5.472 200 HB2 SER 16 HB2 SER 16 2.400 6.880 -6.235 201 HB3 SER 16 HB3 SER 16 2.872 4.294 -6.538 202 HB3 SER 16 HB3 SER 16 0.781 6.999 -5.544 203 HG SER 16 HG SER 16 1.602 5.824 -4.562 204 HG SER 16 HG SER 16 2.020 4.499 -5.540 205 H ARG 17 H ARG 17 2.826 6.436 -8.148 206 H ARG 17 H ARG 17 1.891 6.805 -9.358 207 HA ARG 17 HA ARG 17 3.028 4.849 -10.618 208 HA ARG 17 HA ARG 17 3.118 4.618 -10.586 209 HB2 ARG 17 HB2 ARG 17 1.830 7.038 -10.955 210 HB2 ARG 17 HB2 ARG 17 4.095 6.154 -12.073 211 HB3 ARG 17 HB3 ARG 17 3.316 7.852 -10.483 212 HB3 ARG 17 HB3 ARG 17 2.602 6.930 -11.559 213 HG2 ARG 17 HG2 ARG 17 4.370 6.410 -12.388 214 HG2 ARG 17 HG2 ARG 17 4.081 8.087 -9.789 215 HG3 ARG 17 HG3 ARG 17 2.701 6.315 -12.956 216 HG3 ARG 17 HG3 ARG 17 5.421 7.597 -10.828 217 HD2 ARG 17 HD2 ARG 17 3.834 8.173 -14.018 218 HD2 ARG 17 HD2 ARG 17 3.096 9.380 -11.515 219 HD3 ARG 17 HD3 ARG 17 2.575 8.771 -12.938 220 HD3 ARG 17 HD3 ARG 17 4.809 9.798 -11.477 221 HE ARG 17 HE ARG 17 4.757 8.837 -11.370 222 HE ARG 17 HE ARG 17 4.449 7.745 -13.338 223 HH11 ARG 17 HH11 ARG 17 4.143 10.010 -14.589 224 HH11 ARG 17 HH11 ARG 17 3.600 11.091 -12.891 225 HH12 ARG 17 HH12 ARG 17 5.257 11.331 -14.460 226 HH12 ARG 17 HH12 ARG 17 3.547 11.439 -14.588 227 HH21 ARG 17 HH21 ARG 17 6.226 10.572 -11.188 228 HH21 ARG 17 HH21 ARG 17 4.382 8.190 -15.574 229 HH22 ARG 17 HH22 ARG 17 6.443 11.648 -12.526 230 HH22 ARG 17 HH22 ARG 17 3.990 9.789 -16.113 231 H ASN 18 H ASN 18 4.652 4.200 -8.609 232 H ASN 18 H ASN 18 5.688 5.071 -11.139 233 HA ASN 18 HA ASN 18 7.252 5.049 -9.597 234 HA ASN 18 HA ASN 18 7.839 4.899 -10.397 235 HB2 ASN 18 HB2 ASN 18 6.232 6.257 -7.322 236 HB2 ASN 18 HB2 ASN 18 6.631 6.720 -8.569 237 HB3 ASN 18 HB3 ASN 18 7.255 4.976 -6.679 238 HB3 ASN 18 HB3 ASN 18 7.649 5.621 -7.642 239 HD21 ASN 18 HD21 ASN 18 7.162 8.083 -7.915 240 HD21 ASN 18 HD21 ASN 18 8.052 8.419 -8.074 241 HD22 ASN 18 HD22 ASN 18 8.857 8.325 -8.141 242 HD22 ASN 18 HD22 ASN 18 9.560 8.594 -8.898 243 H SER 19 H SER 19 5.426 3.016 -7.347 244 H SER 19 H SER 19 6.095 4.282 -7.359 245 HA SER 19 HA SER 19 7.168 0.773 -8.051 246 HA SER 19 HA SER 19 7.474 1.732 -7.112 247 HB2 SER 19 HB2 SER 19 7.379 0.073 -5.719 248 HB2 SER 19 HB2 SER 19 6.611 1.695 -4.837 249 HB3 SER 19 HB3 SER 19 8.041 1.693 -5.929 250 HB3 SER 19 HB3 SER 19 7.321 3.275 -5.169 251 HG SER 19 HG SER 19 5.609 2.167 -5.332 252 HG SER 19 HG SER 19 5.251 4.104 -5.453 253 H GLY 20 H GLY 20 4.376 1.661 -8.639 254 H GLY 20 H GLY 20 4.252 2.995 -7.666 255 HA2 GLY 20 HA2 GLY 20 2.254 0.780 -8.748 256 HA2 GLY 20 HA2 GLY 20 2.385 1.942 -8.512 257 HA3 GLY 20 HA3 GLY 20 3.093 -0.765 -8.768 258 HA3 GLY 20 HA3 GLY 20 3.358 0.493 -8.720 259 H ARG 21 H ARG 21 3.239 1.433 -6.049 260 H ARG 21 H ARG 21 2.814 2.222 -5.694 261 HA ARG 21 HA ARG 21 2.235 -0.615 -4.298 262 HA ARG 21 HA ARG 21 1.720 -0.238 -4.559 263 HB2 ARG 21 HB2 ARG 21 3.800 1.756 -4.039 264 HB2 ARG 21 HB2 ARG 21 3.085 2.168 -3.468 265 HB3 ARG 21 HB3 ARG 21 2.424 1.883 -2.950 266 HB3 ARG 21 HB3 ARG 21 1.920 1.364 -2.425 267 HG2 ARG 21 HG2 ARG 21 3.077 0.061 -1.698 268 HG2 ARG 21 HG2 ARG 21 3.321 -0.305 -1.986 269 HG3 ARG 21 HG3 ARG 21 4.040 -0.625 -3.008 270 HG3 ARG 21 HG3 ARG 21 3.734 -0.511 -3.688 271 HD2 ARG 21 HD2 ARG 21 5.501 0.246 -1.289 272 HD2 ARG 21 HD2 ARG 21 5.744 0.084 -2.612 273 HD3 ARG 21 HD3 ARG 21 5.654 1.217 -2.752 274 HD3 ARG 21 HD3 ARG 21 5.195 1.543 -3.437 275 HE ARG 21 HE ARG 21 4.413 2.038 -0.235 276 HE ARG 21 HE ARG 21 5.139 1.060 -0.546 277 HH11 ARG 21 HH11 ARG 21 5.312 2.782 -3.514 278 HH11 ARG 21 HH11 ARG 21 4.687 3.191 -3.261 279 HH12 ARG 21 HH12 ARG 21 5.116 4.492 -3.318 280 HH12 ARG 21 HH12 ARG 21 4.617 4.624 -2.290 281 HH21 ARG 21 HH21 ARG 21 4.151 4.287 0.036 282 HH21 ARG 21 HH21 ARG 21 5.048 2.939 0.742 283 HH22 ARG 21 HH22 ARG 21 4.456 5.348 -1.298 284 HH22 ARG 21 HH22 ARG 21 4.823 4.480 -0.014 285 H VAL 22 H VAL 22 0.179 -0.935 -3.784 286 H VAL 22 H VAL 22 -0.394 -0.488 -4.349 287 HA VAL 22 HA VAL 22 -1.863 0.901 -4.641 288 HA VAL 22 HA VAL 22 -2.208 1.700 -4.797 289 HB VAL 22 HB VAL 22 -2.094 -1.646 -3.031 290 HB VAL 22 HB VAL 22 -2.478 -0.838 -5.419 291 HG11 VAL 22 HG11 VAL 22 -4.460 -1.589 -3.636 292 HG11 VAL 22 HG11 VAL 22 -4.054 -0.894 -2.883 293 HG12 VAL 22 HG12 VAL 22 -4.008 -0.169 -2.690 294 HG12 VAL 22 HG12 VAL 22 -3.486 -2.234 -3.884 295 HG13 VAL 22 HG13 VAL 22 -4.222 -0.034 -4.435 296 HG13 VAL 22 HG13 VAL 22 -2.350 -1.346 -2.867 297 HG21 VAL 22 HG21 VAL 22 -2.358 -2.817 -4.986 298 HG21 VAL 22 HG21 VAL 22 -4.794 0.790 -4.375 299 HG22 VAL 22 HG22 VAL 22 -2.914 -1.404 -5.884 300 HG22 VAL 22 HG22 VAL 22 -4.054 0.969 -5.967 301 HG23 VAL 22 HG23 VAL 22 -1.201 -1.592 -5.507 302 HG23 VAL 22 HG23 VAL 22 -4.885 -0.529 -5.542 303 H TYR 23 H TYR 23 -3.084 2.255 -3.429 304 H TYR 23 H TYR 23 -3.616 2.639 -3.348 305 HA TYR 23 HA TYR 23 -2.898 2.188 -0.525 306 HA TYR 23 HA TYR 23 -3.472 1.836 -0.541 307 HB2 TYR 23 HB2 TYR 23 -2.123 4.420 -0.266 308 HB2 TYR 23 HB2 TYR 23 -3.117 4.170 0.182 309 HB3 TYR 23 HB3 TYR 23 -1.024 3.650 -1.405 310 HB3 TYR 23 HB3 TYR 23 -1.761 3.560 -0.762 311 HD1 TYR 23 HD1 TYR 23 -3.641 6.174 -0.987 312 HD1 TYR 23 HD1 TYR 23 -1.303 4.427 -2.990 313 HD2 TYR 23 HD2 TYR 23 -1.000 4.303 -3.750 314 HD2 TYR 23 HD2 TYR 23 -4.555 5.918 -0.689 315 HE1 TYR 23 HE1 TYR 23 -4.062 7.980 -2.601 316 HE1 TYR 23 HE1 TYR 23 -1.486 6.353 -4.509 317 HE2 TYR 23 HE2 TYR 23 -1.413 6.105 -5.371 318 HE2 TYR 23 HE2 TYR 23 -4.749 7.848 -2.201 319 HH TYR 23 HH TYR 23 -3.908 8.452 -4.918 320 HH TYR 23 HH TYR 23 -2.681 8.153 -5.065 321 H TYR 24 H TYR 24 -4.760 2.766 0.425 322 H TYR 24 H TYR 24 -4.993 3.527 0.719 323 HA TYR 24 HA TYR 24 -6.914 3.730 -1.313 324 HA TYR 24 HA TYR 24 -7.463 3.791 -0.863 325 HB2 TYR 24 HB2 TYR 24 -7.191 2.636 1.487 326 HB2 TYR 24 HB2 TYR 24 -7.168 2.821 1.984 327 HB3 TYR 24 HB3 TYR 24 -8.451 2.819 0.272 328 HB3 TYR 24 HB3 TYR 24 -8.710 3.226 1.237 329 HD1 TYR 24 HD1 TYR 24 -7.727 1.551 -2.057 330 HD1 TYR 24 HD1 TYR 24 -9.765 1.733 -0.311 331 HD2 TYR 24 HD2 TYR 24 -6.549 0.466 1.886 332 HD2 TYR 24 HD2 TYR 24 -5.882 0.863 1.199 333 HE1 TYR 24 HE1 TYR 24 -7.335 -0.755 -2.814 334 HE1 TYR 24 HE1 TYR 24 -9.938 -0.553 -1.200 335 HE2 TYR 24 HE2 TYR 24 -6.154 -1.844 1.140 336 HE2 TYR 24 HE2 TYR 24 -6.045 -1.426 0.313 337 HH TYR 24 HH TYR 24 -6.183 -3.257 -0.567 338 HH TYR 24 HH TYR 24 -8.504 -2.385 -1.862 339 H PHE 25 H PHE 25 -7.950 5.623 -0.984 340 H PHE 25 H PHE 25 -8.476 5.702 -0.753 341 HA PHE 25 HA PHE 25 -7.220 7.203 1.387 342 HA PHE 25 HA PHE 25 -7.777 7.553 1.414 343 HB2 PHE 25 HB2 PHE 25 -5.914 8.059 -0.475 344 HB2 PHE 25 HB2 PHE 25 -6.698 7.836 -1.075 345 HB3 PHE 25 HB3 PHE 25 -7.360 8.183 -1.471 346 HB3 PHE 25 HB3 PHE 25 -8.155 8.812 -1.224 347 HD1 PHE 25 HD1 PHE 25 -8.734 10.086 -1.389 348 HD1 PHE 25 HD1 PHE 25 -8.383 9.910 1.503 349 HD2 PHE 25 HD2 PHE 25 -5.689 9.537 1.535 350 HD2 PHE 25 HD2 PHE 25 -4.977 9.388 -0.996 351 HE1 PHE 25 HE1 PHE 25 -9.082 12.390 -0.599 352 HE1 PHE 25 HE1 PHE 25 -7.256 11.767 2.657 353 HE2 PHE 25 HE2 PHE 25 -6.035 11.841 2.329 354 HE2 PHE 25 HE2 PHE 25 -3.844 11.245 0.155 355 HZ PHE 25 HZ PHE 25 -7.734 13.269 1.264 356 HZ PHE 25 HZ PHE 25 -4.984 12.436 1.984 357 H ASN 26 H ASN 26 -8.837 8.372 2.316 358 H ASN 26 H ASN 26 -9.595 8.049 2.430 359 HA ASN 26 HA ASN 26 -11.528 7.914 1.247 360 HA ASN 26 HA ASN 26 -12.092 8.191 0.878 361 HB2 ASN 26 HB2 ASN 26 -10.840 7.283 3.647 362 HB2 ASN 26 HB2 ASN 26 -12.081 6.520 2.687 363 HB3 ASN 26 HB3 ASN 26 -10.893 9.012 3.979 364 HB3 ASN 26 HB3 ASN 26 -11.710 7.786 3.854 365 HD21 ASN 26 HD21 ASN 26 -12.938 6.859 2.040 366 HD21 ASN 26 HD21 ASN 26 -13.773 6.567 4.621 367 HD22 ASN 26 HD22 ASN 26 -14.416 7.264 2.839 368 HD22 ASN 26 HD22 ASN 26 -15.262 7.339 4.205 369 H HIS 27 H HIS 27 -12.668 9.515 0.376 370 H HIS 27 H HIS 27 -12.888 10.140 0.496 371 HA HIS 27 HA HIS 27 -11.560 12.190 0.332 372 HA HIS 27 HA HIS 27 -11.777 12.496 1.624 373 HB2 HIS 27 HB2 HIS 27 -13.256 12.673 -1.331 374 HB2 HIS 27 HB2 HIS 27 -13.703 13.625 0.426 375 HB3 HIS 27 HB3 HIS 27 -12.482 11.139 -1.720 376 HB3 HIS 27 HB3 HIS 27 -12.642 12.652 -0.588 377 HD1 HIS 27 HD1 HIS 27 -15.656 12.419 -0.079 378 HD1 HIS 27 HD1 HIS 27 -13.606 10.251 -1.279 379 HD2 HIS 27 HD2 HIS 27 -14.216 9.075 -2.079 380 HD2 HIS 27 HD2 HIS 27 -16.343 12.911 0.362 381 HE1 HIS 27 HE1 HIS 27 -17.648 10.919 -0.401 382 HE1 HIS 27 HE1 HIS 27 -15.872 9.335 -1.870 383 H ILE 28 H ILE 28 -13.721 10.485 2.255 384 H ILE 28 H ILE 28 -14.072 10.323 2.775 385 HA ILE 28 HA ILE 28 -15.355 12.798 2.939 386 HA ILE 28 HA ILE 28 -15.639 12.235 4.274 387 HB ILE 28 HB ILE 28 -15.413 9.962 3.972 388 HB ILE 28 HB ILE 28 -15.584 9.223 4.488 389 HG12 ILE 28 HG12 ILE 28 -17.123 11.499 2.016 390 HG12 ILE 28 HG12 ILE 28 -17.196 11.123 2.801 391 HG13 ILE 28 HG13 ILE 28 -16.208 10.024 1.724 392 HG13 ILE 28 HG13 ILE 28 -16.316 9.683 2.298 393 HG21 ILE 28 HG21 ILE 28 -17.469 10.565 5.114 394 HG21 ILE 28 HG21 ILE 28 -17.632 9.401 5.696 395 HG22 ILE 28 HG22 ILE 28 -16.137 11.572 5.678 396 HG22 ILE 28 HG22 ILE 28 -16.462 10.471 6.466 397 HG23 ILE 28 HG23 ILE 28 -17.318 12.228 4.546 398 HG23 ILE 28 HG23 ILE 28 -17.710 11.142 5.417 399 HD11 ILE 28 HD11 ILE 28 -18.667 10.306 3.434 400 HD11 ILE 28 HD11 ILE 28 -18.634 9.197 2.193 401 HD12 ILE 28 HD12 ILE 28 -18.550 9.515 1.861 402 HD12 ILE 28 HD12 ILE 28 -17.975 8.330 3.582 403 HD13 ILE 28 HD13 ILE 28 -17.720 8.826 3.257 404 HD13 ILE 28 HD13 ILE 28 -18.900 9.811 3.823 405 H THR 29 H THR 29 -13.049 10.598 4.504 406 H THR 29 H THR 29 -13.025 9.951 4.881 407 HA THR 29 HA THR 29 -12.928 12.370 6.827 408 HA THR 29 HA THR 29 -12.987 10.637 7.716 409 HB THR 29 HB THR 29 -11.559 10.596 7.870 410 HB THR 29 HB THR 29 -11.210 8.940 7.905 411 HG1 THR 29 HG1 THR 29 -11.368 8.600 6.723 412 HG1 THR 29 HG1 THR 29 -10.206 8.295 6.166 413 HG21 THR 29 HG21 THR 29 -13.849 10.403 8.353 414 HG21 THR 29 HG21 THR 29 -12.683 6.994 6.896 415 HG22 THR 29 HG22 THR 29 -13.382 8.791 7.807 416 HG22 THR 29 HG22 THR 29 -13.851 8.297 6.683 417 HG23 THR 29 HG23 THR 29 -14.240 9.879 6.716 418 HG23 THR 29 HG23 THR 29 -13.233 7.921 8.290 419 H ASN 30 H ASN 30 -11.254 11.713 3.944 420 H ASN 30 H ASN 30 -11.298 11.332 4.769 421 HA ASN 30 HA ASN 30 -9.341 12.555 3.045 422 HA ASN 30 HA ASN 30 -9.650 12.820 4.266 423 HB2 ASN 30 HB2 ASN 30 -8.864 14.280 5.446 424 HB2 ASN 30 HB2 ASN 30 -11.027 14.065 6.216 425 HB3 ASN 30 HB3 ASN 30 -8.597 14.640 3.743 426 HB3 ASN 30 HB3 ASN 30 -9.467 13.914 7.019 427 HD21 ASN 30 HD21 ASN 30 -10.985 14.069 2.616 428 HD21 ASN 30 HD21 ASN 30 -7.754 14.189 4.889 429 HD22 ASN 30 HD22 ASN 30 -12.210 15.112 3.245 430 HD22 ASN 30 HD22 ASN 30 -7.887 15.788 4.251 431 H ALA 31 H ALA 31 -9.406 10.358 5.128 432 H ALA 31 H ALA 31 -8.821 10.305 4.837 433 HA ALA 31 HA ALA 31 -6.698 10.520 6.213 434 HA ALA 31 HA ALA 31 -6.122 10.766 5.724 435 HB1 ALA 31 HB1 ALA 31 -8.453 9.779 7.724 436 HB1 ALA 31 HB1 ALA 31 -6.052 9.494 7.637 437 HB2 ALA 31 HB2 ALA 31 -8.852 8.452 6.632 438 HB2 ALA 31 HB2 ALA 31 -7.645 10.240 7.787 439 HB3 ALA 31 HB3 ALA 31 -7.288 8.485 7.446 440 HB3 ALA 31 HB3 ALA 31 -7.500 8.580 7.212 441 H SER 32 H SER 32 -5.105 8.961 5.789 442 H SER 32 H SER 32 -4.725 9.418 4.730 443 HA SER 32 HA SER 32 -5.559 7.364 3.354 444 HA SER 32 HA SER 32 -5.881 7.358 2.994 445 HB2 SER 32 HB2 SER 32 -3.608 8.087 2.419 446 HB2 SER 32 HB2 SER 32 -3.121 7.655 2.457 447 HB3 SER 32 HB3 SER 32 -3.897 9.487 3.449 448 HB3 SER 32 HB3 SER 32 -4.475 8.216 1.476 449 HG SER 32 HG SER 32 -1.883 8.915 3.978 450 HG SER 32 HG SER 32 -3.046 9.917 2.069 451 H GLN 33 H GLN 33 -5.288 5.250 3.591 452 H GLN 33 H GLN 33 -4.620 5.348 2.688 453 HA GLN 33 HA GLN 33 -3.532 4.281 5.746 454 HA GLN 33 HA GLN 33 -2.690 4.472 4.541 455 HB2 GLN 33 HB2 GLN 33 -6.344 3.975 5.578 456 HB2 GLN 33 HB2 GLN 33 -4.013 2.959 5.914 457 HB3 GLN 33 HB3 GLN 33 -5.633 2.401 5.247 458 HB3 GLN 33 HB3 GLN 33 -4.566 4.615 6.127 459 HG2 GLN 33 HG2 GLN 33 -4.967 2.116 7.360 460 HG2 GLN 33 HG2 GLN 33 -6.428 4.178 4.593 461 HG3 GLN 33 HG3 GLN 33 -4.447 3.792 7.527 462 HG3 GLN 33 HG3 GLN 33 -5.881 2.510 4.425 463 HE21 GLN 33 HE21 GLN 33 -7.510 2.065 7.021 464 HE21 GLN 33 HE21 GLN 33 -6.467 1.046 5.913 465 HE22 GLN 33 HE22 GLN 33 -8.384 2.910 8.248 466 HE22 GLN 33 HE22 GLN 33 -7.398 1.397 7.326 467 H PHE 34 H PHE 34 -2.766 2.055 5.424 468 H PHE 34 H PHE 34 -1.752 2.633 3.830 469 HA PHE 34 HA PHE 34 -2.493 1.428 2.558 470 HA PHE 34 HA PHE 34 -2.502 1.598 1.301 471 HB2 PHE 34 HB2 PHE 34 -0.517 1.748 4.660 472 HB2 PHE 34 HB2 PHE 34 -0.608 0.286 3.250 473 HB3 PHE 34 HB3 PHE 34 -0.389 0.169 3.891 474 HB3 PHE 34 HB3 PHE 34 -0.607 0.161 1.494 475 HD1 PHE 34 HD1 PHE 34 0.554 3.549 3.713 476 HD1 PHE 34 HD1 PHE 34 0.907 1.692 4.241 477 HD2 PHE 34 HD2 PHE 34 -0.404 0.192 1.278 478 HD2 PHE 34 HD2 PHE 34 -0.331 2.476 0.244 479 HE1 PHE 34 HE1 PHE 34 1.768 4.570 1.833 480 HE1 PHE 34 HE1 PHE 34 2.504 3.559 4.116 481 HE2 PHE 34 HE2 PHE 34 0.811 1.207 -0.606 482 HE2 PHE 34 HE2 PHE 34 1.265 4.342 0.112 483 HZ PHE 34 HZ PHE 34 1.899 3.398 -0.331 484 HZ PHE 34 HZ PHE 34 2.687 4.886 2.049 485 H GLU 35 H GLU 35 -4.515 0.494 4.536 486 H GLU 35 H GLU 35 -2.944 0.481 4.606 487 HA GLU 35 HA GLU 35 -4.172 -2.365 4.030 488 HA GLU 35 HA GLU 35 -3.935 -2.099 3.902 489 HB2 GLU 35 HB2 GLU 35 -4.340 -1.073 6.694 490 HB2 GLU 35 HB2 GLU 35 -4.191 -0.491 6.448 491 HB3 GLU 35 HB3 GLU 35 -5.294 -2.533 6.466 492 HB3 GLU 35 HB3 GLU 35 -4.715 -2.159 6.276 493 HG2 GLU 35 HG2 GLU 35 -3.253 -3.254 7.353 494 HG2 GLU 35 HG2 GLU 35 -2.618 -2.276 7.298 495 HG3 GLU 35 HG3 GLU 35 -3.169 -3.625 5.632 496 HG3 GLU 35 HG3 GLU 35 -2.330 -2.691 5.607 497 H ARG 36 H ARG 36 -6.147 -3.561 4.037 498 H ARG 36 H ARG 36 -6.079 -2.866 4.003 499 HA ARG 36 HA ARG 36 -8.265 -2.422 2.736 500 HA ARG 36 HA ARG 36 -8.038 -0.890 3.157 501 HB2 ARG 36 HB2 ARG 36 -7.688 -4.932 3.421 502 HB2 ARG 36 HB2 ARG 36 -7.635 -3.156 2.025 503 HB3 ARG 36 HB3 ARG 36 -8.896 -4.606 4.658 504 HB3 ARG 36 HB3 ARG 36 -8.491 -3.857 3.392 505 HG2 ARG 36 HG2 ARG 36 -9.266 -4.454 1.677 506 HG2 ARG 36 HG2 ARG 36 -10.447 -2.462 2.852 507 HG3 ARG 36 HG3 ARG 36 -9.962 -5.639 2.782 508 HG3 ARG 36 HG3 ARG 36 -9.585 -1.842 1.441 509 HD2 ARG 36 HD2 ARG 36 -10.527 -2.675 2.790 510 HD2 ARG 36 HD2 ARG 36 -11.121 -3.641 0.829 511 HD3 ARG 36 HD3 ARG 36 -11.588 -3.921 2.133 512 HD3 ARG 36 HD3 ARG 36 -9.445 -4.092 0.520 513 HE ARG 36 HE ARG 36 -11.313 -3.178 4.869 514 HE ARG 36 HE ARG 36 -9.699 -5.803 2.005 515 HH11 ARG 36 HH11 ARG 36 -11.965 -5.866 2.755 516 HH11 ARG 36 HH11 ARG 36 -12.147 -3.413 2.642 517 HH12 ARG 36 HH12 ARG 36 -12.883 -6.740 3.935 518 HH12 ARG 36 HH12 ARG 36 -12.945 -4.364 3.851 519 HH21 ARG 36 HH21 ARG 36 -12.520 -4.320 6.432 520 HH21 ARG 36 HH21 ARG 36 -10.741 -7.065 3.594 521 HH22 ARG 36 HH22 ARG 36 -13.199 -5.860 6.026 522 HH22 ARG 36 HH22 ARG 36 -12.144 -6.441 4.391 523 HA PRO 37 HA PRO 37 -9.828 0.145 6.096 524 HA PRO 37 HA PRO 37 -9.636 -0.692 7.324 525 HB2 PRO 37 HB2 PRO 37 -11.455 1.622 4.503 526 HB2 PRO 37 HB2 PRO 37 -11.567 1.134 6.773 527 HB3 PRO 37 HB3 PRO 37 -9.718 1.919 4.640 528 HB3 PRO 37 HB3 PRO 37 -9.865 1.566 6.972 529 HG2 PRO 37 HG2 PRO 37 -11.225 0.440 2.517 530 HG2 PRO 37 HG2 PRO 37 -11.431 1.149 4.456 531 HG3 PRO 37 HG3 PRO 37 -9.896 1.599 2.343 532 HG3 PRO 37 HG3 PRO 37 -10.252 2.414 4.842 533 HD2 PRO 37 HD2 PRO 37 -9.523 -1.079 2.196 534 HD2 PRO 37 HD2 PRO 37 -9.629 0.253 3.337 535 HD3 PRO 37 HD3 PRO 37 -8.289 0.022 2.841 536 HD3 PRO 37 HD3 PRO 37 -8.451 1.046 4.403 537 H SER 38 H SER 38 -11.543 -0.213 7.371 538 H SER 38 H SER 38 -11.490 -1.404 8.402 539 HA SER 38 HA SER 38 -13.831 -1.679 6.228 540 HA SER 38 HA SER 38 -13.028 -3.372 7.038 541 HB2 SER 38 HB2 SER 38 -12.428 -2.938 7.897 542 HB2 SER 38 HB2 SER 38 -14.204 -3.616 9.218 543 HB3 SER 38 HB3 SER 38 -12.912 -1.751 9.108 544 HB3 SER 38 HB3 SER 38 -12.449 -3.684 9.376 545 HG SER 38 HG SER 38 -14.296 -3.869 8.102 546 HG SER 38 HG SER 38 -13.398 -2.329 10.956 547 H GLY 39 H GLY 39 -15.862 -1.404 7.650 548 H GLY 39 H GLY 39 -14.262 -0.639 8.965 549 HA2 GLY 39 HA2 GLY 39 -16.065 1.344 8.679 550 HA2 GLY 39 HA2 GLY 39 -15.629 0.947 7.423 551 HA3 GLY 39 HA3 GLY 39 -17.172 0.817 7.420 552 HA3 GLY 39 HA3 GLY 39 -16.567 -0.511 7.152 Start of MODEL 13 1 H1 SER 5 H SER 5 -10.609 -1.110 -6.853 2 H1 SER 5 H SER 5 -10.245 -3.150 -6.289 3 HA SER 5 HA SER 5 -12.714 -2.021 -7.894 4 HA SER 5 HA SER 5 -13.022 -3.412 -7.205 5 HB2 SER 5 HB2 SER 5 -10.637 -3.988 -6.908 6 HB2 SER 5 HB2 SER 5 -11.783 -5.026 -8.336 7 HB3 SER 5 HB3 SER 5 -11.874 -4.376 -8.105 8 HB3 SER 5 HB3 SER 5 -10.735 -5.336 -6.952 9 HG SER 5 HG SER 5 -10.168 -2.162 -8.466 10 HG SER 5 HG SER 5 -12.195 -7.039 -7.217 11 H LYS 6 H LYS 6 -11.898 -3.008 -4.627 12 H LYS 6 H LYS 6 -11.144 -5.233 -4.803 13 HA LYS 6 HA LYS 6 -14.675 -3.885 -4.263 14 HA LYS 6 HA LYS 6 -13.446 -5.370 -3.063 15 HB2 LYS 6 HB2 LYS 6 -12.300 -5.357 -3.115 16 HB2 LYS 6 HB2 LYS 6 -10.660 -6.345 -2.446 17 HB3 LYS 6 HB3 LYS 6 -13.992 -5.812 -2.976 18 HB3 LYS 6 HB3 LYS 6 -12.177 -6.900 -1.753 19 HG2 LYS 6 HG2 LYS 6 -14.124 -6.394 -5.262 20 HG2 LYS 6 HG2 LYS 6 -12.810 -7.770 -3.995 21 HG3 LYS 6 HG3 LYS 6 -12.573 -5.631 -5.617 22 HG3 LYS 6 HG3 LYS 6 -11.196 -7.340 -4.564 23 HD2 LYS 6 HD2 LYS 6 -11.651 -7.644 -5.349 24 HD2 LYS 6 HD2 LYS 6 -10.608 -9.402 -3.927 25 HD3 LYS 6 HD3 LYS 6 -11.990 -7.473 -3.624 26 HD3 LYS 6 HD3 LYS 6 -10.664 -8.766 -2.281 27 HE2 LYS 6 HE2 LYS 6 -14.194 -8.518 -3.986 28 HE2 LYS 6 HE2 LYS 6 -12.213 -10.305 -1.844 29 HE3 LYS 6 HE3 LYS 6 -13.794 -8.734 -5.688 30 HE3 LYS 6 HE3 LYS 6 -13.305 -9.388 -2.880 31 HZ1 LYS 6 HZ1 LYS 6 -12.520 -10.496 -5.242 32 HZ1 LYS 6 HZ1 LYS 6 -11.771 -10.894 -4.592 33 HZ2 LYS 6 HZ2 LYS 6 -13.333 -10.551 -3.760 34 HZ2 LYS 6 HZ2 LYS 6 -13.384 -11.178 -4.165 35 HZ3 LYS 6 HZ3 LYS 6 -11.825 -9.793 -3.868 36 HZ3 LYS 6 HZ3 LYS 6 -12.137 -11.944 -3.316 37 H LEU 7 H LEU 7 -14.371 -1.498 -3.499 38 H LEU 7 H LEU 7 -13.929 -3.621 -1.894 39 HA LEU 7 HA LEU 7 -13.705 -1.562 -0.629 40 HA LEU 7 HA LEU 7 -12.225 -2.702 0.154 41 HB2 LEU 7 HB2 LEU 7 -13.191 0.496 -2.723 42 HB2 LEU 7 HB2 LEU 7 -11.638 -0.532 -0.572 43 HB3 LEU 7 HB3 LEU 7 -13.481 1.021 -1.067 44 HB3 LEU 7 HB3 LEU 7 -11.151 -1.644 -1.852 45 HG LEU 7 HG LEU 7 -11.538 -0.108 -0.282 46 HG LEU 7 HG LEU 7 -13.753 -0.744 -2.485 47 HD11 LEU 7 HD11 LEU 7 -10.094 -1.274 -2.123 48 HD11 LEU 7 HD11 LEU 7 -13.708 1.568 -2.382 49 HD12 LEU 7 HD12 LEU 7 -11.649 -1.467 -2.935 50 HD12 LEU 7 HD12 LEU 7 -11.965 1.626 -2.119 51 HD13 LEU 7 HD13 LEU 7 -11.402 -2.150 -1.328 52 HD13 LEU 7 HD13 LEU 7 -13.036 1.101 -0.819 53 HD21 LEU 7 HD21 LEU 7 -11.336 1.682 -2.604 54 HD21 LEU 7 HD21 LEU 7 -11.055 -0.026 -3.629 55 HD22 LEU 7 HD22 LEU 7 -9.869 0.782 -2.221 56 HD22 LEU 7 HD22 LEU 7 -12.609 0.212 -4.431 57 HD23 LEU 7 HD23 LEU 7 -10.617 1.814 -1.001 58 HD23 LEU 7 HD23 LEU 7 -12.039 -1.420 -4.075 59 HA PRO 8 HA PRO 8 -17.803 -0.299 0.300 60 HA PRO 8 HA PRO 8 -16.061 -1.285 1.744 61 HB2 PRO 8 HB2 PRO 8 -17.408 1.330 2.436 62 HB2 PRO 8 HB2 PRO 8 -15.262 0.731 3.378 63 HB3 PRO 8 HB3 PRO 8 -17.223 -0.425 2.520 64 HB3 PRO 8 HB3 PRO 8 -14.987 -0.975 3.752 65 HG2 PRO 8 HG2 PRO 8 -15.124 1.689 2.227 66 HG2 PRO 8 HG2 PRO 8 -13.103 1.036 2.583 67 HG3 PRO 8 HG3 PRO 8 -15.118 0.240 3.249 68 HG3 PRO 8 HG3 PRO 8 -12.802 -0.184 3.833 69 HD2 PRO 8 HD2 PRO 8 -13.800 0.362 0.887 70 HD2 PRO 8 HD2 PRO 8 -12.063 -0.531 1.252 71 HD3 PRO 8 HD3 PRO 8 -14.516 -1.141 1.505 72 HD3 PRO 8 HD3 PRO 8 -12.552 -1.882 2.294 73 HA PRO 9 HA PRO 9 -18.882 3.623 -1.374 74 HA PRO 9 HA PRO 9 -17.595 2.151 -0.533 75 HB2 PRO 9 HB2 PRO 9 -20.872 4.493 0.254 76 HB2 PRO 9 HB2 PRO 9 -19.553 3.060 1.111 77 HB3 PRO 9 HB3 PRO 9 -21.078 3.156 -0.883 78 HB3 PRO 9 HB3 PRO 9 -19.691 1.556 0.196 79 HG2 PRO 9 HG2 PRO 9 -20.541 3.073 2.060 80 HG2 PRO 9 HG2 PRO 9 -18.951 1.964 3.067 81 HG3 PRO 9 HG3 PRO 9 -21.666 2.095 1.100 82 HG3 PRO 9 HG3 PRO 9 -20.028 0.750 2.350 83 HD2 PRO 9 HD2 PRO 9 -19.246 1.174 1.893 84 HD2 PRO 9 HD2 PRO 9 -17.475 0.195 3.065 85 HD3 PRO 9 HD3 PRO 9 -20.003 0.676 0.367 86 HD3 PRO 9 HD3 PRO 9 -18.276 -0.595 1.692 87 H GLY 10 H GLY 10 -17.573 5.339 -1.303 88 H GLY 10 H GLY 10 -17.385 4.358 -0.757 89 HA2 GLY 10 HA2 GLY 10 -17.328 7.552 -0.233 90 HA2 GLY 10 HA2 GLY 10 -17.035 6.570 -0.037 91 HA3 GLY 10 HA3 GLY 10 -17.205 6.695 1.297 92 HA3 GLY 10 HA3 GLY 10 -16.663 5.964 1.570 93 H TRP 11 H TRP 11 -15.556 4.600 -0.195 94 H TRP 11 H TRP 11 -14.721 4.039 0.811 95 HA TRP 11 HA TRP 11 -13.011 6.015 0.127 96 HA TRP 11 HA TRP 11 -12.458 5.798 0.504 97 HB2 TRP 11 HB2 TRP 11 -13.849 3.146 0.311 98 HB2 TRP 11 HB2 TRP 11 -12.511 2.781 0.722 99 HB3 TRP 11 HB3 TRP 11 -12.170 3.528 -0.055 100 HB3 TRP 11 HB3 TRP 11 -11.107 3.823 0.939 101 HD1 TRP 11 HD1 TRP 11 -14.729 3.671 2.764 102 HD1 TRP 11 HD1 TRP 11 -14.422 2.902 2.670 103 HE1 TRP 11 HE1 TRP 11 -13.510 4.195 4.969 104 HE1 TRP 11 HE1 TRP 11 -14.210 3.470 5.171 105 HE3 TRP 11 HE3 TRP 11 -10.089 4.724 0.896 106 HE3 TRP 11 HE3 TRP 11 -9.864 5.215 2.595 107 HZ2 TRP 11 HZ2 TRP 11 -10.923 4.953 5.807 108 HZ2 TRP 11 HZ2 TRP 11 -12.356 4.732 6.887 109 HZ3 TRP 11 HZ3 TRP 11 -8.298 5.340 2.466 110 HZ3 TRP 11 HZ3 TRP 11 -8.943 6.076 4.709 111 HH2 TRP 11 HH2 TRP 11 -8.708 5.453 4.871 112 HH2 TRP 11 HH2 TRP 11 -10.165 5.839 6.810 113 H GLU 12 H GLU 12 -11.323 5.798 -1.408 114 H GLU 12 H GLU 12 -10.881 5.698 -1.126 115 HA GLU 12 HA GLU 12 -12.172 4.904 -4.079 116 HA GLU 12 HA GLU 12 -11.782 4.410 -3.620 117 HB2 GLU 12 HB2 GLU 12 -12.322 7.339 -4.010 118 HB2 GLU 12 HB2 GLU 12 -10.998 6.246 -4.884 119 HB3 GLU 12 HB3 GLU 12 -10.667 7.443 -3.426 120 HB3 GLU 12 HB3 GLU 12 -11.884 6.949 -3.536 121 HG2 GLU 12 HG2 GLU 12 -10.009 6.260 -5.584 122 HG2 GLU 12 HG2 GLU 12 -10.109 8.103 -2.914 123 HG3 GLU 12 HG3 GLU 12 -11.641 6.628 -6.140 124 HG3 GLU 12 HG3 GLU 12 -9.145 6.632 -2.798 125 H LYS 13 H LYS 13 -10.893 3.320 -4.732 126 H LYS 13 H LYS 13 -10.187 3.558 -5.004 127 HA LYS 13 HA LYS 13 -8.338 2.831 -3.525 128 HA LYS 13 HA LYS 13 -7.659 2.935 -3.637 129 HB2 LYS 13 HB2 LYS 13 -9.769 0.971 -4.195 130 HB2 LYS 13 HB2 LYS 13 -8.973 0.964 -4.136 131 HB3 LYS 13 HB3 LYS 13 -9.711 1.503 -5.870 132 HB3 LYS 13 HB3 LYS 13 -9.142 1.457 -5.817 133 HG2 LYS 13 HG2 LYS 13 -7.554 0.774 -6.172 134 HG2 LYS 13 HG2 LYS 13 -6.650 1.266 -6.024 135 HG3 LYS 13 HG3 LYS 13 -7.166 0.871 -4.453 136 HG3 LYS 13 HG3 LYS 13 -6.646 0.540 -4.415 137 HD2 LYS 13 HD2 LYS 13 -8.032 -1.183 -4.006 138 HD2 LYS 13 HD2 LYS 13 -7.678 -1.382 -5.132 139 HD3 LYS 13 HD3 LYS 13 -9.280 -1.047 -5.248 140 HD3 LYS 13 HD3 LYS 13 -8.480 -0.575 -6.482 141 HE2 LYS 13 HE2 LYS 13 -7.093 -1.123 -6.803 142 HE2 LYS 13 HE2 LYS 13 -6.894 -1.387 -7.812 143 HE3 LYS 13 HE3 LYS 13 -6.511 -2.065 -5.430 144 HE3 LYS 13 HE3 LYS 13 -5.745 -0.328 -6.993 145 HZ1 LYS 13 HZ1 LYS 13 -8.224 -3.628 -5.705 146 HZ1 LYS 13 HZ1 LYS 13 -5.875 -3.136 -6.955 147 HZ2 LYS 13 HZ2 LYS 13 -7.632 -3.346 -7.263 148 HZ2 LYS 13 HZ2 LYS 13 -6.118 -2.567 -5.379 149 HZ3 LYS 13 HZ3 LYS 13 -9.088 -2.640 -6.773 150 HZ3 LYS 13 HZ3 LYS 13 -4.727 -2.123 -6.234 151 H ARG 14 H ARG 14 -6.513 3.801 -4.083 152 H ARG 14 H ARG 14 -5.764 3.545 -4.494 153 HA ARG 14 HA ARG 14 -6.183 4.676 -6.878 154 HA ARG 14 HA ARG 14 -5.727 4.517 -7.269 155 HB2 ARG 14 HB2 ARG 14 -4.850 5.965 -4.499 156 HB2 ARG 14 HB2 ARG 14 -4.603 5.892 -4.830 157 HB3 ARG 14 HB3 ARG 14 -4.946 6.575 -6.145 158 HB3 ARG 14 HB3 ARG 14 -4.123 6.309 -6.470 159 HG2 ARG 14 HG2 ARG 14 -7.593 6.187 -5.190 160 HG2 ARG 14 HG2 ARG 14 -6.919 6.340 -6.475 161 HG3 ARG 14 HG3 ARG 14 -6.681 7.082 -3.971 162 HG3 ARG 14 HG3 ARG 14 -6.429 7.135 -4.977 163 HD2 ARG 14 HD2 ARG 14 -7.794 8.555 -5.610 164 HD2 ARG 14 HD2 ARG 14 -4.993 8.645 -6.221 165 HD3 ARG 14 HD3 ARG 14 -6.041 8.735 -5.610 166 HD3 ARG 14 HD3 ARG 14 -5.390 7.817 -7.725 167 HE ARG 14 HE ARG 14 -6.426 6.942 -7.570 168 HE ARG 14 HE ARG 14 -7.659 8.890 -6.295 169 HH11 ARG 14 HH11 ARG 14 -7.922 10.009 -6.885 170 HH11 ARG 14 HH11 ARG 14 -5.210 9.464 -8.702 171 HH12 ARG 14 HH12 ARG 14 -8.241 10.375 -8.547 172 HH12 ARG 14 HH12 ARG 14 -6.101 10.719 -9.498 173 HH21 ARG 14 HH21 ARG 14 -6.841 7.410 -9.764 174 HH21 ARG 14 HH21 ARG 14 -8.842 10.540 -7.336 175 HH22 ARG 14 HH22 ARG 14 -7.626 8.894 -10.185 176 HH22 ARG 14 HH22 ARG 14 -8.167 11.329 -8.719 177 H MET 15 H MET 15 -3.943 4.739 -7.649 178 H MET 15 H MET 15 -3.510 4.662 -8.169 179 HA MET 15 HA MET 15 -2.175 2.851 -6.249 180 HA MET 15 HA MET 15 -1.656 2.757 -6.911 181 HB2 MET 15 HB2 MET 15 -3.532 2.020 -8.376 182 HB2 MET 15 HB2 MET 15 -3.119 2.306 -9.271 183 HB3 MET 15 HB3 MET 15 -2.227 2.834 -9.229 184 HB3 MET 15 HB3 MET 15 -1.476 2.656 -9.788 185 HG2 MET 15 HG2 MET 15 -0.971 1.040 -8.972 186 HG2 MET 15 HG2 MET 15 -1.604 0.325 -9.525 187 HG3 MET 15 HG3 MET 15 -1.022 1.279 -7.226 188 HG3 MET 15 HG3 MET 15 -0.704 0.927 -8.137 189 HE1 MET 15 HE1 MET 15 -1.768 -1.831 -9.653 190 HE1 MET 15 HE1 MET 15 -4.190 -0.997 -9.138 191 HE2 MET 15 HE2 MET 15 -3.464 -1.408 -9.889 192 HE2 MET 15 HE2 MET 15 -2.538 -1.614 -9.140 193 HE3 MET 15 HE3 MET 15 -2.200 -0.242 -10.282 194 HE3 MET 15 HE3 MET 15 -3.665 -2.114 -7.877 195 H SER 16 H SER 16 -0.016 3.311 -6.314 196 H SER 16 H SER 16 -0.013 4.031 -6.312 197 HA SER 16 HA SER 16 0.698 5.994 -7.091 198 HA SER 16 HA SER 16 0.764 6.372 -7.745 199 HB2 SER 16 HB2 SER 16 1.980 3.796 -5.547 200 HB2 SER 16 HB2 SER 16 1.120 5.559 -5.189 201 HB3 SER 16 HB3 SER 16 3.045 4.989 -6.291 202 HB3 SER 16 HB3 SER 16 2.700 5.160 -5.860 203 HG SER 16 HG SER 16 1.656 5.221 -4.054 204 HG SER 16 HG SER 16 2.742 7.273 -5.123 205 H ARG 17 H ARG 17 2.587 6.484 -8.408 206 H ARG 17 H ARG 17 2.160 6.589 -9.372 207 HA ARG 17 HA ARG 17 2.521 5.071 -10.886 208 HA ARG 17 HA ARG 17 3.311 4.285 -10.603 209 HB2 ARG 17 HB2 ARG 17 2.851 7.463 -10.893 210 HB2 ARG 17 HB2 ARG 17 3.972 5.717 -12.342 211 HB3 ARG 17 HB3 ARG 17 4.290 7.310 -9.895 212 HB3 ARG 17 HB3 ARG 17 2.479 6.426 -11.740 213 HG2 ARG 17 HG2 ARG 17 5.330 6.006 -11.769 214 HG2 ARG 17 HG2 ARG 17 4.299 7.730 -10.224 215 HG3 ARG 17 HG3 ARG 17 3.939 6.459 -12.755 216 HG3 ARG 17 HG3 ARG 17 5.216 7.478 -11.711 217 HD2 ARG 17 HD2 ARG 17 5.907 8.330 -11.445 218 HD2 ARG 17 HD2 ARG 17 2.552 8.850 -11.406 219 HD3 ARG 17 HD3 ARG 17 5.774 7.982 -13.168 220 HD3 ARG 17 HD3 ARG 17 4.086 9.582 -11.872 221 HE ARG 17 HE ARG 17 3.367 9.029 -11.977 222 HE ARG 17 HE ARG 17 3.351 7.522 -13.678 223 HH11 ARG 17 HH11 ARG 17 6.386 9.794 -13.532 224 HH11 ARG 17 HH11 ARG 17 2.635 10.814 -12.798 225 HH12 ARG 17 HH12 ARG 17 5.860 11.350 -14.081 226 HH12 ARG 17 HH12 ARG 17 2.082 11.253 -14.378 227 HH21 ARG 17 HH21 ARG 17 2.661 11.074 -12.695 228 HH21 ARG 17 HH21 ARG 17 2.625 8.089 -15.765 229 HH22 ARG 17 HH22 ARG 17 3.740 12.079 -13.604 230 HH22 ARG 17 HH22 ARG 17 2.076 9.702 -16.066 231 H ASN 18 H ASN 18 5.313 5.817 -8.791 232 H ASN 18 H ASN 18 5.719 4.576 -11.397 233 HA ASN 18 HA ASN 18 6.798 3.608 -9.916 234 HA ASN 18 HA ASN 18 7.892 4.271 -10.776 235 HB2 ASN 18 HB2 ASN 18 7.544 5.480 -7.657 236 HB2 ASN 18 HB2 ASN 18 7.125 6.875 -9.497 237 HB3 ASN 18 HB3 ASN 18 8.634 4.389 -8.506 238 HB3 ASN 18 HB3 ASN 18 8.731 6.205 -9.221 239 HD21 ASN 18 HD21 ASN 18 9.036 7.144 -8.282 240 HD21 ASN 18 HD21 ASN 18 9.666 7.962 -10.295 241 HD22 ASN 18 HD22 ASN 18 8.936 7.840 -9.859 242 HD22 ASN 18 HD22 ASN 18 9.632 8.090 -12.017 243 H SER 19 H SER 19 7.206 1.671 -8.993 244 H SER 19 H SER 19 5.932 2.857 -9.215 245 HA SER 19 HA SER 19 7.153 -0.066 -7.518 246 HA SER 19 HA SER 19 7.577 1.911 -7.128 247 HB2 SER 19 HB2 SER 19 7.378 2.230 -5.842 248 HB2 SER 19 HB2 SER 19 6.314 2.618 -5.175 249 HB3 SER 19 HB3 SER 19 6.219 1.128 -5.100 250 HB3 SER 19 HB3 SER 19 6.849 4.043 -6.067 251 HG SER 19 HG SER 19 8.893 0.578 -5.864 252 HG SER 19 HG SER 19 4.754 4.155 -6.980 253 H GLY 20 H GLY 20 4.616 1.685 -8.539 254 H GLY 20 H GLY 20 4.331 2.225 -8.451 255 HA2 GLY 20 HA2 GLY 20 2.313 1.482 -8.424 256 HA2 GLY 20 HA2 GLY 20 2.719 0.647 -8.876 257 HA3 GLY 20 HA3 GLY 20 2.706 -0.225 -8.562 258 HA3 GLY 20 HA3 GLY 20 3.970 -0.569 -8.661 259 H ARG 21 H ARG 21 3.428 1.881 -5.824 260 H ARG 21 H ARG 21 2.661 1.797 -6.357 261 HA ARG 21 HA ARG 21 2.437 0.031 -3.938 262 HA ARG 21 HA ARG 21 2.128 -0.420 -4.513 263 HB2 ARG 21 HB2 ARG 21 3.369 2.869 -3.833 264 HB2 ARG 21 HB2 ARG 21 3.248 2.151 -4.178 265 HB3 ARG 21 HB3 ARG 21 2.525 2.203 -2.440 266 HB3 ARG 21 HB3 ARG 21 1.699 2.169 -3.345 267 HG2 ARG 21 HG2 ARG 21 4.237 0.826 -1.885 268 HG2 ARG 21 HG2 ARG 21 2.425 0.827 -1.711 269 HG3 ARG 21 HG3 ARG 21 4.739 0.592 -3.561 270 HG3 ARG 21 HG3 ARG 21 3.302 -0.220 -2.829 271 HD2 ARG 21 HD2 ARG 21 6.431 1.846 -2.387 272 HD2 ARG 21 HD2 ARG 21 4.915 0.801 -1.410 273 HD3 ARG 21 HD3 ARG 21 5.645 2.890 -3.570 274 HD3 ARG 21 HD3 ARG 21 5.047 1.571 -2.989 275 HE ARG 21 HE ARG 21 5.357 3.034 -0.661 276 HE ARG 21 HE ARG 21 3.931 2.773 -0.560 277 HH11 ARG 21 HH11 ARG 21 4.650 4.305 -3.823 278 HH11 ARG 21 HH11 ARG 21 4.918 3.053 -3.887 279 HH12 ARG 21 HH12 ARG 21 4.072 5.825 -3.227 280 HH12 ARG 21 HH12 ARG 21 4.884 4.785 -3.888 281 HH21 ARG 21 HH21 ARG 21 4.597 5.032 0.138 282 HH21 ARG 21 HH21 ARG 21 3.884 5.053 -0.548 283 HH22 ARG 21 HH22 ARG 21 4.043 6.237 -0.973 284 HH22 ARG 21 HH22 ARG 21 4.296 5.923 -1.988 285 H VAL 22 H VAL 22 0.438 -0.352 -3.254 286 H VAL 22 H VAL 22 0.230 0.372 -2.895 287 HA VAL 22 HA VAL 22 -1.760 1.222 -4.259 288 HA VAL 22 HA VAL 22 -2.018 1.519 -4.312 289 HB VAL 22 HB VAL 22 -1.763 -1.168 -2.411 290 HB VAL 22 HB VAL 22 -2.020 -0.880 -5.012 291 HG11 VAL 22 HG11 VAL 22 -4.141 -1.342 -2.943 292 HG11 VAL 22 HG11 VAL 22 -2.700 -2.567 -3.350 293 HG12 VAL 22 HG12 VAL 22 -3.777 0.196 -2.160 294 HG12 VAL 22 HG12 VAL 22 -1.111 -1.881 -3.002 295 HG13 VAL 22 HG13 VAL 22 -4.039 0.134 -3.904 296 HG13 VAL 22 HG13 VAL 22 -2.519 -1.361 -2.077 297 HG21 VAL 22 HG21 VAL 22 -2.027 -2.534 -4.249 298 HG21 VAL 22 HG21 VAL 22 -4.335 0.043 -3.313 299 HG22 VAL 22 HG22 VAL 22 -2.631 -1.226 -5.268 300 HG22 VAL 22 HG22 VAL 22 -4.080 0.394 -5.022 301 HG23 VAL 22 HG23 VAL 22 -0.912 -1.319 -4.877 302 HG23 VAL 22 HG23 VAL 22 -4.404 -1.259 -4.499 303 H TYR 23 H TYR 23 -3.089 2.563 -3.134 304 H TYR 23 H TYR 23 -3.504 2.395 -2.954 305 HA TYR 23 HA TYR 23 -2.889 2.777 -0.251 306 HA TYR 23 HA TYR 23 -3.565 1.625 -0.152 307 HB2 TYR 23 HB2 TYR 23 -2.234 5.087 -0.192 308 HB2 TYR 23 HB2 TYR 23 -3.209 3.922 0.648 309 HB3 TYR 23 HB3 TYR 23 -1.042 4.214 -1.148 310 HB3 TYR 23 HB3 TYR 23 -1.794 3.314 -0.205 311 HD1 TYR 23 HD1 TYR 23 -3.577 6.807 -1.159 312 HD1 TYR 23 HD1 TYR 23 -1.155 4.231 -2.369 313 HD2 TYR 23 HD2 TYR 23 -1.017 4.461 -3.617 314 HD2 TYR 23 HD2 TYR 23 -4.544 5.723 -0.276 315 HE1 TYR 23 HE1 TYR 23 -3.918 8.388 -3.012 316 HE1 TYR 23 HE1 TYR 23 -1.189 6.200 -3.842 317 HE2 TYR 23 HE2 TYR 23 -1.349 6.036 -5.476 318 HE2 TYR 23 HE2 TYR 23 -4.590 7.696 -1.743 319 HH TYR 23 HH TYR 23 -2.036 8.693 -5.537 320 HH TYR 23 HH TYR 23 -2.016 8.481 -3.847 321 H TYR 24 H TYR 24 -4.770 3.406 0.637 322 H TYR 24 H TYR 24 -5.203 3.172 1.019 323 HA TYR 24 HA TYR 24 -6.928 4.162 -1.199 324 HA TYR 24 HA TYR 24 -7.485 3.600 -0.799 325 HB2 TYR 24 HB2 TYR 24 -7.233 3.285 1.671 326 HB2 TYR 24 HB2 TYR 24 -7.557 2.582 2.050 327 HB3 TYR 24 HB3 TYR 24 -8.463 3.314 0.413 328 HB3 TYR 24 HB3 TYR 24 -8.967 2.918 1.054 329 HD1 TYR 24 HD1 TYR 24 -6.362 1.227 2.227 330 HD1 TYR 24 HD1 TYR 24 -6.344 0.545 1.826 331 HD2 TYR 24 HD2 TYR 24 -7.787 1.839 -1.735 332 HD2 TYR 24 HD2 TYR 24 -9.423 1.507 -0.949 333 HE1 TYR 24 HE1 TYR 24 -5.862 -1.120 1.692 334 HE1 TYR 24 HE1 TYR 24 -6.267 -1.751 0.953 335 HE2 TYR 24 HE2 TYR 24 -7.293 -0.508 -2.281 336 HE2 TYR 24 HE2 TYR 24 -9.356 -0.788 -1.829 337 HH TYR 24 HH TYR 24 -6.195 -2.776 0.182 338 HH TYR 24 HH TYR 24 -6.977 -2.806 -1.519 339 H PHE 25 H PHE 25 -8.231 5.943 -0.841 340 H PHE 25 H PHE 25 -8.280 5.592 -0.817 341 HA PHE 25 HA PHE 25 -7.514 7.740 1.358 342 HA PHE 25 HA PHE 25 -7.751 7.339 1.495 343 HB2 PHE 25 HB2 PHE 25 -6.468 8.195 -1.090 344 HB2 PHE 25 HB2 PHE 25 -6.328 8.047 -0.328 345 HB3 PHE 25 HB3 PHE 25 -7.996 9.051 -1.253 346 HB3 PHE 25 HB3 PHE 25 -7.690 8.047 -1.444 347 HD1 PHE 25 HD1 PHE 25 -8.415 11.078 -0.070 348 HD1 PHE 25 HD1 PHE 25 -9.080 9.929 -1.664 349 HD2 PHE 25 HD2 PHE 25 -4.829 8.887 0.597 350 HD2 PHE 25 HD2 PHE 25 -6.276 9.723 1.532 351 HE1 PHE 25 HE1 PHE 25 -7.465 13.005 1.129 352 HE1 PHE 25 HE1 PHE 25 -9.506 12.295 -1.142 353 HE2 PHE 25 HE2 PHE 25 -3.872 10.809 1.798 354 HE2 PHE 25 HE2 PHE 25 -6.699 12.090 2.060 355 HZ PHE 25 HZ PHE 25 -5.191 12.871 2.066 356 HZ PHE 25 HZ PHE 25 -8.317 13.378 0.723 357 H ASN 26 H ASN 26 -9.288 8.308 2.411 358 H ASN 26 H ASN 26 -9.455 8.381 2.337 359 HA ASN 26 HA ASN 26 -11.889 7.957 1.164 360 HA ASN 26 HA ASN 26 -11.966 8.397 0.799 361 HB2 ASN 26 HB2 ASN 26 -11.339 7.187 3.517 362 HB2 ASN 26 HB2 ASN 26 -12.198 6.687 2.475 363 HB3 ASN 26 HB3 ASN 26 -11.319 8.886 3.981 364 HB3 ASN 26 HB3 ASN 26 -11.576 7.757 3.728 365 HD21 ASN 26 HD21 ASN 26 -13.041 7.047 5.120 366 HD21 ASN 26 HD21 ASN 26 -14.016 8.159 1.184 367 HD22 ASN 26 HD22 ASN 26 -14.662 7.436 4.662 368 HD22 ASN 26 HD22 ASN 26 -15.290 8.636 2.248 369 H HIS 27 H HIS 27 -13.000 9.549 0.254 370 H HIS 27 H HIS 27 -12.862 10.339 0.577 371 HA HIS 27 HA HIS 27 -12.032 12.258 0.364 372 HA HIS 27 HA HIS 27 -11.654 12.645 1.765 373 HB2 HIS 27 HB2 HIS 27 -13.535 12.721 -1.377 374 HB2 HIS 27 HB2 HIS 27 -13.592 13.836 0.596 375 HB3 HIS 27 HB3 HIS 27 -13.061 11.051 -1.667 376 HB3 HIS 27 HB3 HIS 27 -12.467 12.952 -0.431 377 HD1 HIS 27 HD1 HIS 27 -15.930 13.031 -0.179 378 HD1 HIS 27 HD1 HIS 27 -15.734 12.110 1.348 379 HD2 HIS 27 HD2 HIS 27 -15.138 9.285 -1.790 380 HD2 HIS 27 HD2 HIS 27 -13.799 11.523 -2.281 381 HE1 HIS 27 HE1 HIS 27 -18.165 11.894 -0.369 382 HE1 HIS 27 HE1 HIS 27 -17.342 10.788 -0.063 383 H ILE 28 H ILE 28 -13.963 10.462 2.360 384 H ILE 28 H ILE 28 -14.263 10.569 2.596 385 HA ILE 28 HA ILE 28 -15.727 12.675 3.094 386 HA ILE 28 HA ILE 28 -15.713 12.435 4.208 387 HB ILE 28 HB ILE 28 -15.668 9.858 4.181 388 HB ILE 28 HB ILE 28 -15.786 9.441 3.951 389 HG12 ILE 28 HG12 ILE 28 -17.180 11.139 1.925 390 HG12 ILE 28 HG12 ILE 28 -17.741 11.663 3.329 391 HG13 ILE 28 HG13 ILE 28 -16.332 9.598 1.953 392 HG13 ILE 28 HG13 ILE 28 -16.854 10.686 2.166 393 HG21 ILE 28 HG21 ILE 28 -17.749 10.357 5.222 394 HG21 ILE 28 HG21 ILE 28 -16.205 9.826 6.273 395 HG22 ILE 28 HG22 ILE 28 -16.628 11.647 5.655 396 HG22 ILE 28 HG22 ILE 28 -17.302 11.157 5.907 397 HG23 ILE 28 HG23 ILE 28 -17.848 11.921 4.412 398 HG23 ILE 28 HG23 ILE 28 -17.751 9.504 5.489 399 HD11 ILE 28 HD11 ILE 28 -18.082 8.740 3.493 400 HD11 ILE 28 HD11 ILE 28 -18.103 8.714 3.363 401 HD12 ILE 28 HD12 ILE 28 -18.958 10.252 3.259 402 HD12 ILE 28 HD12 ILE 28 -19.231 9.997 3.800 403 HD13 ILE 28 HD13 ILE 28 -18.674 9.174 1.891 404 HD13 ILE 28 HD13 ILE 28 -18.887 9.667 2.104 405 H THR 29 H THR 29 -13.356 10.489 4.589 406 H THR 29 H THR 29 -13.053 10.240 4.718 407 HA THR 29 HA THR 29 -13.173 12.314 6.881 408 HA THR 29 HA THR 29 -13.136 10.698 7.611 409 HB THR 29 HB THR 29 -11.976 10.501 8.031 410 HB THR 29 HB THR 29 -11.353 8.989 7.740 411 HG1 THR 29 HG1 THR 29 -11.849 8.455 6.981 412 HG1 THR 29 HG1 THR 29 -10.408 8.272 5.977 413 HG21 THR 29 HG21 THR 29 -14.648 9.859 6.807 414 HG21 THR 29 HG21 THR 29 -13.304 7.874 8.067 415 HG22 THR 29 HG22 THR 29 -14.298 10.478 8.421 416 HG22 THR 29 HG22 THR 29 -12.875 7.141 6.522 417 HG23 THR 29 HG23 THR 29 -13.892 8.813 8.007 418 HG23 THR 29 HG23 THR 29 -14.024 8.478 6.575 419 H ASN 30 H ASN 30 -11.767 12.022 3.987 420 H ASN 30 H ASN 30 -11.323 11.495 4.753 421 HA ASN 30 HA ASN 30 -9.719 12.482 3.081 422 HA ASN 30 HA ASN 30 -9.672 13.020 4.380 423 HB2 ASN 30 HB2 ASN 30 -9.067 14.253 5.387 424 HB2 ASN 30 HB2 ASN 30 -11.082 14.101 6.461 425 HB3 ASN 30 HB3 ASN 30 -8.948 14.568 3.658 426 HB3 ASN 30 HB3 ASN 30 -9.462 14.004 7.144 427 HD21 ASN 30 HD21 ASN 30 -11.372 14.174 2.688 428 HD21 ASN 30 HD21 ASN 30 -7.930 14.438 4.898 429 HD22 ASN 30 HD22 ASN 30 -12.532 15.220 3.429 430 HD22 ASN 30 HD22 ASN 30 -8.184 16.054 4.341 431 H ALA 31 H ALA 31 -9.829 10.267 5.023 432 H ALA 31 H ALA 31 -9.005 10.377 5.058 433 HA ALA 31 HA ALA 31 -7.175 10.364 6.250 434 HA ALA 31 HA ALA 31 -6.260 10.761 5.851 435 HB1 ALA 31 HB1 ALA 31 -9.444 8.397 6.518 436 HB1 ALA 31 HB1 ALA 31 -7.575 8.650 7.457 437 HB2 ALA 31 HB2 ALA 31 -7.871 8.203 7.294 438 HB2 ALA 31 HB2 ALA 31 -6.219 9.704 7.858 439 HB3 ALA 31 HB3 ALA 31 -8.894 9.577 7.709 440 HB3 ALA 31 HB3 ALA 31 -7.869 10.323 7.937 441 H SER 32 H SER 32 -5.667 8.620 5.945 442 H SER 32 H SER 32 -4.955 9.329 4.860 443 HA SER 32 HA SER 32 -6.012 7.154 3.416 444 HA SER 32 HA SER 32 -6.250 7.140 3.383 445 HB2 SER 32 HB2 SER 32 -4.065 7.920 2.529 446 HB2 SER 32 HB2 SER 32 -3.595 7.541 2.456 447 HB3 SER 32 HB3 SER 32 -4.347 9.284 3.609 448 HB3 SER 32 HB3 SER 32 -5.103 7.893 1.613 449 HG SER 32 HG SER 32 -2.341 7.503 3.634 450 HG SER 32 HG SER 32 -4.105 9.821 1.733 451 H GLN 33 H GLN 33 -5.472 5.051 3.475 452 H GLN 33 H GLN 33 -4.795 5.217 2.987 453 HA GLN 33 HA GLN 33 -3.869 4.064 5.728 454 HA GLN 33 HA GLN 33 -2.648 4.613 4.703 455 HB2 GLN 33 HB2 GLN 33 -6.642 3.728 5.519 456 HB2 GLN 33 HB2 GLN 33 -3.712 3.052 6.243 457 HB3 GLN 33 HB3 GLN 33 -5.956 2.186 5.025 458 HB3 GLN 33 HB3 GLN 33 -4.384 4.665 6.440 459 HG2 GLN 33 HG2 GLN 33 -4.975 1.811 7.085 460 HG2 GLN 33 HG2 GLN 33 -6.422 4.076 5.593 461 HG3 GLN 33 HG3 GLN 33 -5.010 3.519 7.523 462 HG3 GLN 33 HG3 GLN 33 -5.760 2.765 4.617 463 HE21 GLN 33 HE21 GLN 33 -7.052 0.702 6.967 464 HE21 GLN 33 HE21 GLN 33 -7.550 3.474 7.286 465 HE22 GLN 33 HE22 GLN 33 -8.312 1.175 8.051 466 HE22 GLN 33 HE22 GLN 33 -7.392 1.981 8.143 467 H PHE 34 H PHE 34 -2.977 1.911 5.374 468 H PHE 34 H PHE 34 -1.721 2.621 4.240 469 HA PHE 34 HA PHE 34 -2.566 1.374 2.508 470 HA PHE 34 HA PHE 34 -2.421 1.495 1.723 471 HB2 PHE 34 HB2 PHE 34 -0.706 1.761 4.650 472 HB2 PHE 34 HB2 PHE 34 -0.480 0.465 3.805 473 HB3 PHE 34 HB3 PHE 34 -0.542 0.115 4.046 474 HB3 PHE 34 HB3 PHE 34 -0.556 -0.045 2.121 475 HD1 PHE 34 HD1 PHE 34 0.323 -0.328 1.864 476 HD1 PHE 34 HD1 PHE 34 -0.205 1.785 0.339 477 HD2 PHE 34 HD2 PHE 34 -0.294 3.671 3.180 478 HD2 PHE 34 HD2 PHE 34 0.908 2.207 4.425 479 HE1 PHE 34 HE1 PHE 34 1.655 0.497 -0.033 480 HE1 PHE 34 HE1 PHE 34 1.364 3.577 -0.275 481 HE2 PHE 34 HE2 PHE 34 1.035 4.504 1.286 482 HE2 PHE 34 HE2 PHE 34 2.477 4.001 3.818 483 HZ PHE 34 HZ PHE 34 2.011 2.918 -0.325 484 HZ PHE 34 HZ PHE 34 2.706 4.689 1.463 485 H GLU 35 H GLU 35 -4.667 0.328 4.359 486 H GLU 35 H GLU 35 -2.924 0.552 5.067 487 HA GLU 35 HA GLU 35 -4.292 -2.489 3.700 488 HA GLU 35 HA GLU 35 -3.845 -2.084 4.492 489 HB2 GLU 35 HB2 GLU 35 -5.188 -1.686 6.465 490 HB2 GLU 35 HB2 GLU 35 -3.785 -0.310 6.881 491 HB3 GLU 35 HB3 GLU 35 -4.795 -3.298 5.885 492 HB3 GLU 35 HB3 GLU 35 -4.914 -1.656 6.896 493 HG2 GLU 35 HG2 GLU 35 -2.927 -2.763 7.107 494 HG2 GLU 35 HG2 GLU 35 -3.060 -2.576 7.888 495 HG3 GLU 35 HG3 GLU 35 -2.437 -2.302 5.478 496 HG3 GLU 35 HG3 GLU 35 -2.853 -3.067 6.208 497 H ARG 36 H ARG 36 -6.306 -3.733 3.876 498 H ARG 36 H ARG 36 -6.000 -2.881 4.681 499 HA ARG 36 HA ARG 36 -8.424 -2.594 2.550 500 HA ARG 36 HA ARG 36 -7.952 -1.045 3.562 501 HB2 ARG 36 HB2 ARG 36 -8.118 -5.017 2.813 502 HB2 ARG 36 HB2 ARG 36 -7.497 -3.479 2.799 503 HB3 ARG 36 HB3 ARG 36 -8.543 -4.890 4.514 504 HB3 ARG 36 HB3 ARG 36 -8.464 -3.938 4.195 505 HG2 ARG 36 HG2 ARG 36 -10.438 -5.704 3.313 506 HG2 ARG 36 HG2 ARG 36 -10.296 -2.491 3.284 507 HG3 ARG 36 HG3 ARG 36 -10.777 -4.052 3.835 508 HG3 ARG 36 HG3 ARG 36 -9.327 -2.311 1.818 509 HD2 ARG 36 HD2 ARG 36 -10.620 -3.201 1.698 510 HD2 ARG 36 HD2 ARG 36 -11.033 -4.089 1.633 511 HD3 ARG 36 HD3 ARG 36 -9.603 -4.528 1.134 512 HD3 ARG 36 HD3 ARG 36 -9.387 -4.691 1.437 513 HE ARG 36 HE ARG 36 -11.498 -5.625 0.512 514 HE ARG 36 HE ARG 36 -9.631 -5.916 3.366 515 HH11 ARG 36 HH11 ARG 36 -12.330 -3.280 2.949 516 HH11 ARG 36 HH11 ARG 36 -12.251 -3.642 3.082 517 HH12 ARG 36 HH12 ARG 36 -14.034 -3.586 2.847 518 HH12 ARG 36 HH12 ARG 36 -13.160 -4.327 4.388 519 HH21 ARG 36 HH21 ARG 36 -13.738 -6.038 0.372 520 HH21 ARG 36 HH21 ARG 36 -10.819 -6.829 5.085 521 HH22 ARG 36 HH22 ARG 36 -14.832 -5.156 1.382 522 HH22 ARG 36 HH22 ARG 36 -12.345 -6.141 5.527 523 HA PRO 37 HA PRO 37 -9.941 0.059 5.856 524 HA PRO 37 HA PRO 37 -9.613 -0.301 7.645 525 HB2 PRO 37 HB2 PRO 37 -11.624 1.466 4.257 526 HB2 PRO 37 HB2 PRO 37 -11.511 1.460 6.828 527 HB3 PRO 37 HB3 PRO 37 -9.888 1.782 4.337 528 HB3 PRO 37 HB3 PRO 37 -9.808 1.897 7.005 529 HG2 PRO 37 HG2 PRO 37 -11.437 0.216 2.310 530 HG2 PRO 37 HG2 PRO 37 -11.333 1.179 4.532 531 HG3 PRO 37 HG3 PRO 37 -10.123 1.379 2.059 532 HG3 PRO 37 HG3 PRO 37 -10.145 2.472 4.777 533 HD2 PRO 37 HD2 PRO 37 -9.731 -1.300 1.996 534 HD2 PRO 37 HD2 PRO 37 -9.519 0.132 3.571 535 HD3 PRO 37 HD3 PRO 37 -8.489 -0.166 2.568 536 HD3 PRO 37 HD3 PRO 37 -8.353 1.043 4.550 537 H SER 38 H SER 38 -11.296 -0.955 7.208 538 H SER 38 H SER 38 -11.177 -1.328 8.743 539 HA SER 38 HA SER 38 -13.546 -2.482 6.280 540 HA SER 38 HA SER 38 -13.479 -2.382 7.235 541 HB2 SER 38 HB2 SER 38 -12.190 -3.064 8.315 542 HB2 SER 38 HB2 SER 38 -11.844 -4.170 7.801 543 HB3 SER 38 HB3 SER 38 -12.899 -1.666 9.122 544 HB3 SER 38 HB3 SER 38 -12.047 -3.780 9.509 545 HG SER 38 HG SER 38 -14.172 -3.375 9.658 546 HG SER 38 HG SER 38 -13.708 -5.049 9.467 547 H GLY 39 H GLY 39 -15.640 -2.064 7.806 548 H GLY 39 H GLY 39 -14.089 -0.103 8.178 549 HA2 GLY 39 HA2 GLY 39 -16.318 0.794 7.472 550 HA2 GLY 39 HA2 GLY 39 -14.611 0.339 10.855 551 HA3 GLY 39 HA3 GLY 39 -17.421 -0.490 6.998 552 HA3 GLY 39 HA3 GLY 39 -15.570 1.004 9.541 Start of MODEL 14 1 H1 SER 5 H SER 5 -10.506 -3.425 -7.123 2 H1 SER 5 H SER 5 -11.250 -4.449 -7.298 3 HA SER 5 HA SER 5 -12.761 -1.737 -6.993 4 HA SER 5 HA SER 5 -12.861 -2.337 -6.618 5 HB2 SER 5 HB2 SER 5 -13.060 -4.023 -8.952 6 HB2 SER 5 HB2 SER 5 -13.270 -4.230 -8.321 7 HB3 SER 5 HB3 SER 5 -14.287 -2.834 -8.515 8 HB3 SER 5 HB3 SER 5 -14.010 -5.099 -6.978 9 HG SER 5 HG SER 5 -12.267 -2.657 -10.330 10 HG SER 5 HG SER 5 -15.175 -2.890 -6.784 11 H LYS 6 H LYS 6 -12.500 -2.447 -4.829 12 H LYS 6 H LYS 6 -12.311 -5.306 -4.825 13 HA LYS 6 HA LYS 6 -14.165 -4.609 -4.105 14 HA LYS 6 HA LYS 6 -14.385 -5.018 -2.940 15 HB2 LYS 6 HB2 LYS 6 -12.055 -5.809 -4.870 16 HB2 LYS 6 HB2 LYS 6 -13.023 -6.570 -1.544 17 HB3 LYS 6 HB3 LYS 6 -11.254 -5.092 -3.479 18 HB3 LYS 6 HB3 LYS 6 -13.275 -7.139 -3.189 19 HG2 LYS 6 HG2 LYS 6 -12.588 -6.292 -1.958 20 HG2 LYS 6 HG2 LYS 6 -10.962 -5.945 -3.596 21 HG3 LYS 6 HG3 LYS 6 -13.738 -6.755 -3.215 22 HG3 LYS 6 HG3 LYS 6 -10.785 -6.215 -1.860 23 HD2 LYS 6 HD2 LYS 6 -10.852 -7.623 -3.187 24 HD2 LYS 6 HD2 LYS 6 -9.826 -8.091 -2.972 25 HD3 LYS 6 HD3 LYS 6 -12.165 -8.574 -2.487 26 HD3 LYS 6 HD3 LYS 6 -11.355 -8.623 -2.272 27 HE2 LYS 6 HE2 LYS 6 -12.454 -9.477 -4.500 28 HE2 LYS 6 HE2 LYS 6 -12.417 -8.690 -4.347 29 HE3 LYS 6 HE3 LYS 6 -13.059 -7.910 -5.035 30 HE3 LYS 6 HE3 LYS 6 -11.214 -7.647 -5.102 31 HZ1 LYS 6 HZ1 LYS 6 -10.526 -7.430 -5.336 32 HZ1 LYS 6 HZ1 LYS 6 -9.667 -9.664 -4.455 33 HZ2 LYS 6 HZ2 LYS 6 -11.388 -8.264 -6.528 34 HZ2 LYS 6 HZ2 LYS 6 -10.538 -9.641 -5.902 35 HZ3 LYS 6 HZ3 LYS 6 -10.415 -9.115 -5.435 36 HZ3 LYS 6 HZ3 LYS 6 -11.121 -10.519 -4.581 37 H LEU 7 H LEU 7 -14.008 -1.903 -3.446 38 H LEU 7 H LEU 7 -14.627 -3.221 -1.767 39 HA LEU 7 HA LEU 7 -13.282 -2.026 -0.594 40 HA LEU 7 HA LEU 7 -12.804 -2.540 0.270 41 HB2 LEU 7 HB2 LEU 7 -12.946 0.124 -2.625 42 HB2 LEU 7 HB2 LEU 7 -11.949 -0.457 -0.453 43 HB3 LEU 7 HB3 LEU 7 -13.261 0.586 -0.952 44 HB3 LEU 7 HB3 LEU 7 -11.604 -1.625 -1.726 45 HG LEU 7 HG LEU 7 -11.235 -0.417 -0.209 46 HG LEU 7 HG LEU 7 -14.067 -0.405 -2.375 47 HD11 LEU 7 HD11 LEU 7 -9.729 -1.419 -2.105 48 HD11 LEU 7 HD11 LEU 7 -12.005 1.729 -2.015 49 HD12 LEU 7 HD12 LEU 7 -11.280 -1.724 -2.884 50 HD12 LEU 7 HD12 LEU 7 -13.117 1.336 -0.704 51 HD13 LEU 7 HD13 LEU 7 -10.941 -2.413 -1.297 52 HD13 LEU 7 HD13 LEU 7 -13.746 1.880 -2.261 53 HD21 LEU 7 HD21 LEU 7 -10.481 1.593 -0.885 54 HD21 LEU 7 HD21 LEU 7 -12.825 0.369 -4.323 55 HD22 LEU 7 HD22 LEU 7 -11.173 1.430 -2.500 56 HD22 LEU 7 HD22 LEU 7 -12.414 -1.301 -3.940 57 HD23 LEU 7 HD23 LEU 7 -9.642 0.644 -2.112 58 HD23 LEU 7 HD23 LEU 7 -11.302 -0.000 -3.513 59 HA PRO 8 HA PRO 8 -17.420 -1.053 0.492 60 HA PRO 8 HA PRO 8 -16.414 -0.641 1.887 61 HB2 PRO 8 HB2 PRO 8 -17.084 0.606 2.613 62 HB2 PRO 8 HB2 PRO 8 -15.347 1.233 3.536 63 HB3 PRO 8 HB3 PRO 8 -16.758 -1.130 2.689 64 HB3 PRO 8 HB3 PRO 8 -15.302 -0.498 3.893 65 HG2 PRO 8 HG2 PRO 8 -14.843 1.144 2.327 66 HG2 PRO 8 HG2 PRO 8 -13.168 1.253 2.734 67 HG3 PRO 8 HG3 PRO 8 -14.688 -0.298 3.347 68 HG3 PRO 8 HG3 PRO 8 -13.032 -0.010 3.973 69 HD2 PRO 8 HD2 PRO 8 -13.464 -0.078 0.942 70 HD2 PRO 8 HD2 PRO 8 -12.353 -0.429 1.385 71 HD3 PRO 8 HD3 PRO 8 -14.038 -1.631 1.585 72 HD3 PRO 8 HD3 PRO 8 -13.017 -1.710 2.417 73 HA PRO 9 HA PRO 9 -18.864 2.767 -1.138 74 HA PRO 9 HA PRO 9 -17.463 2.978 -0.389 75 HB2 PRO 9 HB2 PRO 9 -20.852 3.488 0.565 76 HB2 PRO 9 HB2 PRO 9 -19.345 4.083 1.227 77 HB3 PRO 9 HB3 PRO 9 -20.997 2.135 -0.563 78 HB3 PRO 9 HB3 PRO 9 -19.633 2.621 0.276 79 HG2 PRO 9 HG2 PRO 9 -20.343 2.104 2.357 80 HG2 PRO 9 HG2 PRO 9 -18.927 2.890 3.173 81 HG3 PRO 9 HG3 PRO 9 -21.425 1.038 1.442 82 HG3 PRO 9 HG3 PRO 9 -20.119 1.824 2.406 83 HD2 PRO 9 HD2 PRO 9 -18.912 0.311 2.141 84 HD2 PRO 9 HD2 PRO 9 -17.671 0.957 3.171 85 HD3 PRO 9 HD3 PRO 9 -19.688 -0.251 0.647 86 HD3 PRO 9 HD3 PRO 9 -18.523 0.291 1.764 87 H GLY 10 H GLY 10 -17.654 4.560 -1.115 88 H GLY 10 H GLY 10 -17.016 5.159 -0.554 89 HA2 GLY 10 HA2 GLY 10 -17.539 6.797 -0.068 90 HA2 GLY 10 HA2 GLY 10 -16.456 7.304 0.259 91 HA3 GLY 10 HA3 GLY 10 -17.318 5.964 1.464 92 HA3 GLY 10 HA3 GLY 10 -16.117 6.596 1.831 93 H TRP 11 H TRP 11 -15.570 3.979 -0.090 94 H TRP 11 H TRP 11 -14.412 4.497 0.878 95 HA TRP 11 HA TRP 11 -13.123 5.576 0.150 96 HA TRP 11 HA TRP 11 -11.983 6.041 0.595 97 HB2 TRP 11 HB2 TRP 11 -13.736 2.652 0.402 98 HB2 TRP 11 HB2 TRP 11 -12.345 3.043 0.760 99 HB3 TRP 11 HB3 TRP 11 -12.096 3.167 0.016 100 HB3 TRP 11 HB3 TRP 11 -10.828 3.921 0.937 101 HD1 TRP 11 HD1 TRP 11 -14.668 3.236 2.845 102 HD1 TRP 11 HD1 TRP 11 -14.127 3.259 2.793 103 HE1 TRP 11 HE1 TRP 11 -13.466 3.856 5.036 104 HE1 TRP 11 HE1 TRP 11 -13.775 3.783 5.288 105 HE3 TRP 11 HE3 TRP 11 -10.072 4.420 0.944 106 HE3 TRP 11 HE3 TRP 11 -9.424 5.246 2.547 107 HZ2 TRP 11 HZ2 TRP 11 -10.911 4.732 5.849 108 HZ2 TRP 11 HZ2 TRP 11 -11.769 4.895 6.935 109 HZ3 TRP 11 HZ3 TRP 11 -8.305 5.140 2.496 110 HZ3 TRP 11 HZ3 TRP 11 -8.358 6.017 4.628 111 HH2 TRP 11 HH2 TRP 11 -8.718 5.293 4.898 112 HH2 TRP 11 HH2 TRP 11 -9.509 5.843 6.774 113 H GLU 12 H GLU 12 -11.416 5.316 -1.412 114 H GLU 12 H GLU 12 -10.620 6.081 -1.145 115 HA GLU 12 HA GLU 12 -12.308 4.359 -4.043 116 HA GLU 12 HA GLU 12 -11.645 4.844 -3.612 117 HB2 GLU 12 HB2 GLU 12 -12.523 6.842 -3.888 118 HB2 GLU 12 HB2 GLU 12 -10.173 7.419 -3.121 119 HB3 GLU 12 HB3 GLU 12 -10.795 6.935 -3.579 120 HB3 GLU 12 HB3 GLU 12 -10.185 6.670 -4.711 121 HG2 GLU 12 HG2 GLU 12 -10.391 5.860 -5.774 122 HG2 GLU 12 HG2 GLU 12 -12.712 7.299 -3.222 123 HG3 GLU 12 HG3 GLU 12 -12.126 5.922 -6.080 124 HG3 GLU 12 HG3 GLU 12 -11.908 8.473 -4.263 125 H LYS 13 H LYS 13 -10.963 2.859 -4.757 126 H LYS 13 H LYS 13 -10.260 3.738 -4.959 127 HA LYS 13 HA LYS 13 -8.346 2.524 -3.602 128 HA LYS 13 HA LYS 13 -7.724 2.930 -3.736 129 HB2 LYS 13 HB2 LYS 13 -9.677 0.557 -4.102 130 HB2 LYS 13 HB2 LYS 13 -9.224 1.111 -4.296 131 HB3 LYS 13 HB3 LYS 13 -9.781 1.019 -5.796 132 HB3 LYS 13 HB3 LYS 13 -9.360 1.688 -5.952 133 HG2 LYS 13 HG2 LYS 13 -7.062 0.709 -4.699 134 HG2 LYS 13 HG2 LYS 13 -6.842 1.316 -6.110 135 HG3 LYS 13 HG3 LYS 13 -8.023 -0.763 -4.852 136 HG3 LYS 13 HG3 LYS 13 -7.008 0.402 -4.608 137 HD2 LYS 13 HD2 LYS 13 -8.521 0.289 -7.247 138 HD2 LYS 13 HD2 LYS 13 -7.955 -1.349 -5.646 139 HD3 LYS 13 HD3 LYS 13 -6.952 1.043 -6.949 140 HD3 LYS 13 HD3 LYS 13 -8.970 -0.316 -6.657 141 HE2 LYS 13 HE2 LYS 13 -5.841 -0.896 -7.188 142 HE2 LYS 13 HE2 LYS 13 -6.457 0.136 -7.661 143 HE3 LYS 13 HE3 LYS 13 -7.070 -1.819 -6.321 144 HE3 LYS 13 HE3 LYS 13 -6.395 -1.571 -7.234 145 HZ1 LYS 13 HZ1 LYS 13 -7.279 -0.911 -9.143 146 HZ1 LYS 13 HZ1 LYS 13 -8.421 -0.283 -8.981 147 HZ2 LYS 13 HZ2 LYS 13 -8.428 -1.831 -8.310 148 HZ2 LYS 13 HZ2 LYS 13 -8.413 -1.916 -8.544 149 HZ3 LYS 13 HZ3 LYS 13 -6.904 -2.485 -8.646 150 HZ3 LYS 13 HZ3 LYS 13 -7.161 -1.287 -9.492 151 H ARG 14 H ARG 14 -6.649 3.650 -4.266 152 H ARG 14 H ARG 14 -5.910 3.826 -4.439 153 HA ARG 14 HA ARG 14 -6.486 4.403 -7.111 154 HA ARG 14 HA ARG 14 -5.712 4.587 -7.272 155 HB2 ARG 14 HB2 ARG 14 -5.217 5.788 -4.740 156 HB2 ARG 14 HB2 ARG 14 -4.377 6.214 -5.132 157 HB3 ARG 14 HB3 ARG 14 -5.114 6.304 -6.418 158 HB3 ARG 14 HB3 ARG 14 -4.756 6.665 -6.789 159 HG2 ARG 14 HG2 ARG 14 -7.848 6.063 -5.848 160 HG2 ARG 14 HG2 ARG 14 -7.227 6.147 -5.656 161 HG3 ARG 14 HG3 ARG 14 -7.121 6.879 -4.463 162 HG3 ARG 14 HG3 ARG 14 -6.326 6.969 -4.381 163 HD2 ARG 14 HD2 ARG 14 -6.063 8.486 -6.003 164 HD2 ARG 14 HD2 ARG 14 -7.557 8.547 -5.802 165 HD3 ARG 14 HD3 ARG 14 -6.864 7.690 -7.356 166 HD3 ARG 14 HD3 ARG 14 -5.814 8.800 -5.888 167 HE ARG 14 HE ARG 14 -8.648 8.610 -5.287 168 HE ARG 14 HE ARG 14 -6.248 7.191 -7.989 169 HH11 ARG 14 HH11 ARG 14 -7.003 9.407 -8.249 170 HH11 ARG 14 HH11 ARG 14 -7.841 10.096 -6.916 171 HH12 ARG 14 HH12 ARG 14 -8.121 10.657 -8.685 172 HH12 ARG 14 HH12 ARG 14 -8.285 10.597 -8.514 173 HH21 ARG 14 HH21 ARG 14 -10.126 10.251 -5.847 174 HH21 ARG 14 HH21 ARG 14 -6.826 7.842 -10.097 175 HH22 ARG 14 HH22 ARG 14 -9.896 11.139 -7.319 176 HH22 ARG 14 HH22 ARG 14 -7.710 9.313 -10.322 177 H MET 15 H MET 15 -4.184 4.702 -7.881 178 H MET 15 H MET 15 -3.688 4.348 -8.224 179 HA MET 15 HA MET 15 -2.366 2.760 -6.633 180 HA MET 15 HA MET 15 -1.626 3.052 -6.574 181 HB2 MET 15 HB2 MET 15 -3.710 2.074 -8.833 182 HB2 MET 15 HB2 MET 15 -3.099 1.618 -8.280 183 HB3 MET 15 HB3 MET 15 -2.395 2.951 -9.603 184 HB3 MET 15 HB3 MET 15 -1.903 2.225 -9.419 185 HG2 MET 15 HG2 MET 15 -1.390 1.143 -7.601 186 HG2 MET 15 HG2 MET 15 -0.226 0.994 -8.531 187 HG3 MET 15 HG3 MET 15 -2.401 0.297 -8.769 188 HG3 MET 15 HG3 MET 15 -0.883 1.071 -6.898 189 HE1 MET 15 HE1 MET 15 -0.858 -0.864 -10.910 190 HE1 MET 15 HE1 MET 15 -2.036 -1.616 -10.338 191 HE2 MET 15 HE2 MET 15 0.798 -0.774 -10.312 192 HE2 MET 15 HE2 MET 15 -0.927 -0.245 -10.292 193 HE3 MET 15 HE3 MET 15 -0.526 -1.116 -9.196 194 HE3 MET 15 HE3 MET 15 -0.397 -1.827 -9.719 195 H SER 16 H SER 16 -0.204 3.261 -6.711 196 H SER 16 H SER 16 0.345 3.907 -6.763 197 HA SER 16 HA SER 16 0.417 5.984 -7.603 198 HA SER 16 HA SER 16 0.761 6.192 -8.427 199 HB2 SER 16 HB2 SER 16 0.970 4.681 -5.226 200 HB2 SER 16 HB2 SER 16 2.348 4.712 -6.383 201 HB3 SER 16 HB3 SER 16 2.502 4.591 -6.095 202 HB3 SER 16 HB3 SER 16 3.228 5.740 -7.513 203 HG SER 16 HG SER 16 1.980 6.974 -6.492 204 HG SER 16 HG SER 16 1.809 6.452 -5.362 205 H ARG 17 H ARG 17 2.496 6.393 -8.624 206 H ARG 17 H ARG 17 2.295 6.448 -10.094 207 HA ARG 17 HA ARG 17 3.165 4.255 -10.507 208 HA ARG 17 HA ARG 17 2.710 4.010 -11.653 209 HB2 ARG 17 HB2 ARG 17 3.890 7.189 -10.572 210 HB2 ARG 17 HB2 ARG 17 3.001 5.415 -13.551 211 HB3 ARG 17 HB3 ARG 17 4.221 6.019 -11.843 212 HB3 ARG 17 HB3 ARG 17 1.633 6.061 -12.653 213 HG2 ARG 17 HG2 ARG 17 2.083 6.013 -12.592 214 HG2 ARG 17 HG2 ARG 17 3.994 7.329 -11.711 215 HG3 ARG 17 HG3 ARG 17 1.405 6.304 -10.988 216 HG3 ARG 17 HG3 ARG 17 3.991 7.388 -13.474 217 HD2 ARG 17 HD2 ARG 17 2.797 8.336 -12.731 218 HD2 ARG 17 HD2 ARG 17 2.871 9.339 -12.670 219 HD3 ARG 17 HD3 ARG 17 1.061 8.226 -12.447 220 HD3 ARG 17 HD3 ARG 17 1.661 8.265 -13.372 221 HE ARG 17 HE ARG 17 3.024 9.387 -10.712 222 HE ARG 17 HE ARG 17 0.729 7.990 -11.287 223 HH11 ARG 17 HH11 ARG 17 -0.088 7.832 -10.840 224 HH11 ARG 17 HH11 ARG 17 3.812 9.578 -10.998 225 HH12 ARG 17 HH12 ARG 17 -0.648 8.539 -9.362 226 HH12 ARG 17 HH12 ARG 17 3.596 9.979 -9.326 227 HH21 ARG 17 HH21 ARG 17 2.299 10.324 -8.764 228 HH21 ARG 17 HH21 ARG 17 0.431 8.512 -9.086 229 HH22 ARG 17 HH22 ARG 17 0.710 9.959 -8.182 230 HH22 ARG 17 HH22 ARG 17 1.672 9.371 -8.240 231 H ASN 18 H ASN 18 5.600 4.499 -11.274 232 H ASN 18 H ASN 18 4.344 4.470 -9.338 233 HA ASN 18 HA ASN 18 7.807 4.206 -10.800 234 HA ASN 18 HA ASN 18 6.951 4.345 -10.631 235 HB2 ASN 18 HB2 ASN 18 6.943 6.226 -8.930 236 HB2 ASN 18 HB2 ASN 18 6.075 6.528 -8.859 237 HB3 ASN 18 HB3 ASN 18 8.148 5.184 -8.179 238 HB3 ASN 18 HB3 ASN 18 7.616 5.802 -8.414 239 HD21 ASN 18 HD21 ASN 18 8.245 7.999 -9.090 240 HD21 ASN 18 HD21 ASN 18 7.081 8.460 -9.420 241 HD22 ASN 18 HD22 ASN 18 9.604 8.084 -10.153 242 HD22 ASN 18 HD22 ASN 18 7.991 8.623 -10.880 243 H SER 19 H SER 19 6.541 4.035 -7.486 244 H SER 19 H SER 19 5.084 4.083 -7.637 245 HA SER 19 HA SER 19 7.872 1.547 -7.015 246 HA SER 19 HA SER 19 6.950 2.001 -6.719 247 HB2 SER 19 HB2 SER 19 6.610 3.582 -5.435 248 HB2 SER 19 HB2 SER 19 6.130 2.441 -4.457 249 HB3 SER 19 HB3 SER 19 5.956 2.010 -4.976 250 HB3 SER 19 HB3 SER 19 6.710 3.934 -5.195 251 HG SER 19 HG SER 19 7.767 1.616 -4.008 252 HG SER 19 HG SER 19 4.686 4.664 -5.364 253 H GLY 20 H GLY 20 4.725 2.490 -8.082 254 H GLY 20 H GLY 20 3.772 2.611 -7.820 255 HA2 GLY 20 HA2 GLY 20 2.922 1.256 -8.785 256 HA2 GLY 20 HA2 GLY 20 1.921 1.274 -8.068 257 HA3 GLY 20 HA3 GLY 20 3.998 -0.134 -8.816 258 HA3 GLY 20 HA3 GLY 20 3.064 -0.060 -8.093 259 H ARG 21 H ARG 21 3.409 1.721 -5.911 260 H ARG 21 H ARG 21 2.740 2.032 -5.319 261 HA ARG 21 HA ARG 21 2.402 -0.664 -4.606 262 HA ARG 21 HA ARG 21 1.941 -0.257 -3.714 263 HB2 ARG 21 HB2 ARG 21 3.592 1.883 -3.772 264 HB2 ARG 21 HB2 ARG 21 3.234 2.333 -3.229 265 HB3 ARG 21 HB3 ARG 21 2.278 1.345 -2.734 266 HB3 ARG 21 HB3 ARG 21 2.082 1.869 -1.986 267 HG2 ARG 21 HG2 ARG 21 3.476 -0.347 -1.879 268 HG2 ARG 21 HG2 ARG 21 3.359 0.162 -1.241 269 HG3 ARG 21 HG3 ARG 21 4.231 -0.733 -3.428 270 HG3 ARG 21 HG3 ARG 21 3.993 -0.208 -2.846 271 HD2 ARG 21 HD2 ARG 21 5.939 0.025 -1.934 272 HD2 ARG 21 HD2 ARG 21 5.788 0.629 -1.496 273 HD3 ARG 21 HD3 ARG 21 5.674 1.280 -3.143 274 HD3 ARG 21 HD3 ARG 21 5.384 1.845 -2.706 275 HE ARG 21 HE ARG 21 4.891 1.395 -0.322 276 HE ARG 21 HE ARG 21 4.840 2.001 0.167 277 HH11 ARG 21 HH11 ARG 21 5.181 2.921 -3.437 278 HH11 ARG 21 HH11 ARG 21 4.768 3.454 -2.996 279 HH12 ARG 21 HH12 ARG 21 4.923 4.520 -2.823 280 HH12 ARG 21 HH12 ARG 21 4.488 5.057 -2.396 281 HH21 ARG 21 HH21 ARG 21 4.551 3.494 0.500 282 HH21 ARG 21 HH21 ARG 21 4.472 4.104 0.969 283 HH22 ARG 21 HH22 ARG 21 4.566 4.846 -0.584 284 HH22 ARG 21 HH22 ARG 21 4.323 5.425 -0.141 285 H VAL 22 H VAL 22 0.543 -0.311 -2.999 286 H VAL 22 H VAL 22 -0.209 -0.450 -4.577 287 HA VAL 22 HA VAL 22 -1.628 1.094 -4.411 288 HA VAL 22 HA VAL 22 -2.177 1.471 -4.659 289 HB VAL 22 HB VAL 22 -1.797 -1.296 -2.570 290 HB VAL 22 HB VAL 22 -2.353 -0.948 -5.401 291 HG11 VAL 22 HG11 VAL 22 -3.740 0.163 -2.338 292 HG11 VAL 22 HG11 VAL 22 -3.596 -1.667 -2.831 293 HG12 VAL 22 HG12 VAL 22 -3.975 0.138 -4.087 294 HG12 VAL 22 HG12 VAL 22 -2.644 -2.647 -3.948 295 HG13 VAL 22 HG13 VAL 22 -4.170 -1.343 -3.149 296 HG13 VAL 22 HG13 VAL 22 -1.836 -1.556 -2.823 297 HG21 VAL 22 HG21 VAL 22 -0.919 -1.460 -5.033 298 HG21 VAL 22 HG21 VAL 22 -4.239 0.575 -5.524 299 HG22 VAL 22 HG22 VAL 22 -2.076 -2.637 -4.415 300 HG22 VAL 22 HG22 VAL 22 -4.788 -1.030 -5.042 301 HG23 VAL 22 HG23 VAL 22 -2.631 -1.309 -5.433 302 HG23 VAL 22 HG23 VAL 22 -4.639 0.249 -3.837 303 H TYR 23 H TYR 23 -2.965 2.464 -3.310 304 H TYR 23 H TYR 23 -3.587 2.391 -3.235 305 HA TYR 23 HA TYR 23 -2.749 2.710 -0.424 306 HA TYR 23 HA TYR 23 -3.567 1.550 -0.445 307 HB2 TYR 23 HB2 TYR 23 -2.098 5.014 -0.411 308 HB2 TYR 23 HB2 TYR 23 -3.147 3.841 0.361 309 HB3 TYR 23 HB3 TYR 23 -0.931 4.148 -1.402 310 HB3 TYR 23 HB3 TYR 23 -1.775 3.204 -0.541 311 HD1 TYR 23 HD1 TYR 23 -3.538 6.684 -1.358 312 HD1 TYR 23 HD1 TYR 23 -4.270 5.805 -0.340 313 HD2 TYR 23 HD2 TYR 23 -0.947 4.411 -3.854 314 HD2 TYR 23 HD2 TYR 23 -1.393 3.987 -2.893 315 HE1 TYR 23 HE1 TYR 23 -3.957 8.250 -3.208 316 HE1 TYR 23 HE1 TYR 23 -4.320 7.787 -1.797 317 HE2 TYR 23 HE2 TYR 23 -1.358 5.972 -5.710 318 HE2 TYR 23 HE2 TYR 23 -1.434 5.965 -4.355 319 HH TYR 23 HH TYR 23 -2.917 8.979 -5.274 320 HH TYR 23 HH TYR 23 -2.016 8.452 -4.075 321 H TYR 24 H TYR 24 -4.577 3.493 0.510 322 H TYR 24 H TYR 24 -5.107 3.169 0.810 323 HA TYR 24 HA TYR 24 -6.794 4.121 -1.311 324 HA TYR 24 HA TYR 24 -7.458 3.666 -0.895 325 HB2 TYR 24 HB2 TYR 24 -6.973 3.305 1.592 326 HB2 TYR 24 HB2 TYR 24 -7.418 2.504 1.898 327 HB3 TYR 24 HB3 TYR 24 -8.289 3.388 0.425 328 HB3 TYR 24 HB3 TYR 24 -8.873 2.968 1.026 329 HD1 TYR 24 HD1 TYR 24 -7.621 1.941 -1.833 330 HD1 TYR 24 HD1 TYR 24 -6.097 0.559 1.171 331 HD2 TYR 24 HD2 TYR 24 -6.352 1.167 2.154 332 HD2 TYR 24 HD2 TYR 24 -9.759 1.590 -0.733 333 HE1 TYR 24 HE1 TYR 24 -7.256 -0.420 -2.413 334 HE1 TYR 24 HE1 TYR 24 -6.188 -1.677 0.155 335 HE2 TYR 24 HE2 TYR 24 -5.983 -1.197 1.584 336 HE2 TYR 24 HE2 TYR 24 -9.863 -0.647 -1.754 337 HH TYR 24 HH TYR 24 -6.166 -2.345 -1.703 338 HH TYR 24 HH TYR 24 -7.461 -2.595 -2.160 339 H PHE 25 H PHE 25 -8.261 5.815 -0.783 340 H PHE 25 H PHE 25 -8.106 5.705 -0.861 341 HA PHE 25 HA PHE 25 -7.282 7.790 1.154 342 HA PHE 25 HA PHE 25 -7.583 7.315 1.549 343 HB2 PHE 25 HB2 PHE 25 -6.830 8.121 -1.509 344 HB2 PHE 25 HB2 PHE 25 -6.016 8.001 -0.176 345 HB3 PHE 25 HB3 PHE 25 -8.390 8.920 -1.333 346 HB3 PHE 25 HB3 PHE 25 -7.327 8.180 -1.337 347 HD1 PHE 25 HD1 PHE 25 -4.863 8.954 -0.325 348 HD1 PHE 25 HD1 PHE 25 -5.729 9.609 1.638 349 HD2 PHE 25 HD2 PHE 25 -8.603 10.976 -0.133 350 HD2 PHE 25 HD2 PHE 25 -8.743 10.110 -1.324 351 HE1 PHE 25 HE1 PHE 25 -3.730 10.962 0.536 352 HE1 PHE 25 HE1 PHE 25 -5.990 11.962 2.308 353 HE2 PHE 25 HE2 PHE 25 -7.475 12.987 0.729 354 HE2 PHE 25 HE2 PHE 25 -9.008 12.464 -0.660 355 HZ PHE 25 HZ PHE 25 -5.035 12.982 1.064 356 HZ PHE 25 HZ PHE 25 -7.632 13.393 1.158 357 H ASN 26 H ASN 26 -8.841 8.572 2.419 358 H ASN 26 H ASN 26 -9.357 8.136 2.428 359 HA ASN 26 HA ASN 26 -11.609 7.874 1.796 360 HA ASN 26 HA ASN 26 -11.816 8.204 0.831 361 HB2 ASN 26 HB2 ASN 26 -10.619 7.294 4.024 362 HB2 ASN 26 HB2 ASN 26 -11.880 6.910 2.930 363 HB3 ASN 26 HB3 ASN 26 -10.489 9.018 4.362 364 HB3 ASN 26 HB3 ASN 26 -11.456 8.362 3.831 365 HD21 ASN 26 HD21 ASN 26 -12.811 6.506 3.478 366 HD21 ASN 26 HD21 ASN 26 -13.570 7.420 4.806 367 HD22 ASN 26 HD22 ASN 26 -14.149 7.200 4.324 368 HD22 ASN 26 HD22 ASN 26 -15.023 8.157 4.228 369 H HIS 27 H HIS 27 -12.791 9.332 0.762 370 H HIS 27 H HIS 27 -12.481 10.085 0.055 371 HA HIS 27 HA HIS 27 -12.086 12.138 0.812 372 HA HIS 27 HA HIS 27 -11.264 12.553 0.761 373 HB2 HIS 27 HB2 HIS 27 -13.636 12.421 -0.948 374 HB2 HIS 27 HB2 HIS 27 -13.189 13.497 -0.669 375 HB3 HIS 27 HB3 HIS 27 -12.892 10.852 -1.242 376 HB3 HIS 27 HB3 HIS 27 -12.023 12.437 -1.456 377 HD1 HIS 27 HD1 HIS 27 -14.422 8.869 -1.377 378 HD1 HIS 27 HD1 HIS 27 -15.488 12.245 0.088 379 HD2 HIS 27 HD2 HIS 27 -16.315 12.246 0.132 380 HD2 HIS 27 HD2 HIS 27 -13.139 10.327 -2.753 381 HE1 HIS 27 HE1 HIS 27 -16.860 8.267 -1.237 382 HE1 HIS 27 HE1 HIS 27 -17.000 10.562 -1.009 383 H ILE 28 H ILE 28 -13.653 10.275 2.936 384 H ILE 28 H ILE 28 -13.676 10.749 2.236 385 HA ILE 28 HA ILE 28 -15.859 12.104 3.487 386 HA ILE 28 HA ILE 28 -15.199 12.980 3.273 387 HB ILE 28 HB ILE 28 -15.072 9.467 4.718 388 HB ILE 28 HB ILE 28 -15.290 10.065 4.063 389 HG12 ILE 28 HG12 ILE 28 -17.404 10.370 3.019 390 HG12 ILE 28 HG12 ILE 28 -16.738 11.669 1.976 391 HG13 ILE 28 HG13 ILE 28 -16.137 9.236 2.565 392 HG13 ILE 28 HG13 ILE 28 -15.965 10.095 1.821 393 HG21 ILE 28 HG21 ILE 28 -17.349 11.290 5.479 394 HG21 ILE 28 HG21 ILE 28 -16.153 11.707 5.741 395 HG22 ILE 28 HG22 ILE 28 -17.119 9.643 6.067 396 HG22 ILE 28 HG22 ILE 28 -17.343 12.214 4.543 397 HG23 ILE 28 HG23 ILE 28 -15.945 10.896 6.472 398 HG23 ILE 28 HG23 ILE 28 -17.355 10.559 5.152 399 HD11 ILE 28 HD11 ILE 28 -18.245 8.804 4.667 400 HD11 ILE 28 HD11 ILE 28 -18.305 9.753 1.732 401 HD12 ILE 28 HD12 ILE 28 -18.182 8.061 3.068 402 HD12 ILE 28 HD12 ILE 28 -17.758 9.178 3.306 403 HD13 ILE 28 HD13 ILE 28 -16.951 7.673 4.270 404 HD13 ILE 28 HD13 ILE 28 -18.570 10.736 3.172 405 H THR 29 H THR 29 -12.784 11.074 4.830 406 H THR 29 H THR 29 -12.901 10.588 4.541 407 HA THR 29 HA THR 29 -12.902 13.341 6.688 408 HA THR 29 HA THR 29 -12.823 11.934 7.117 409 HB THR 29 HB THR 29 -11.608 11.794 8.329 410 HB THR 29 HB THR 29 -11.222 10.148 7.756 411 HG1 THR 29 HG1 THR 29 -13.121 9.835 6.920 412 HG1 THR 29 HG1 THR 29 -10.397 8.865 6.277 413 HG21 THR 29 HG21 THR 29 -13.681 12.641 9.036 414 HG21 THR 29 HG21 THR 29 -13.373 9.536 8.324 415 HG22 THR 29 HG22 THR 29 -13.852 10.894 9.192 416 HG22 THR 29 HG22 THR 29 -12.912 8.205 7.261 417 HG23 THR 29 HG23 THR 29 -14.569 11.730 7.817 418 HG23 THR 29 HG23 THR 29 -13.923 9.515 6.650 419 H ASN 30 H ASN 30 -11.494 12.519 4.096 420 H ASN 30 H ASN 30 -11.030 11.820 4.167 421 HA ASN 30 HA ASN 30 -9.424 12.647 3.141 422 HA ASN 30 HA ASN 30 -9.244 13.025 3.430 423 HB2 ASN 30 HB2 ASN 30 -8.540 14.523 5.287 424 HB2 ASN 30 HB2 ASN 30 -10.420 14.725 5.156 425 HB3 ASN 30 HB3 ASN 30 -8.363 14.655 3.539 426 HB3 ASN 30 HB3 ASN 30 -8.876 14.510 5.974 427 HD21 ASN 30 HD21 ASN 30 -10.836 14.455 2.583 428 HD21 ASN 30 HD21 ASN 30 -7.183 14.227 3.826 429 HD22 ASN 30 HD22 ASN 30 -11.847 15.719 3.188 430 HD22 ASN 30 HD22 ASN 30 -7.128 15.711 2.943 431 H ALA 31 H ALA 31 -9.795 10.678 5.336 432 H ALA 31 H ALA 31 -8.791 10.531 4.531 433 HA ALA 31 HA ALA 31 -7.229 10.554 6.668 434 HA ALA 31 HA ALA 31 -6.046 10.861 5.481 435 HB1 ALA 31 HB1 ALA 31 -8.270 8.207 7.299 436 HB1 ALA 31 HB1 ALA 31 -7.813 8.848 6.826 437 HB2 ALA 31 HB2 ALA 31 -8.804 9.697 8.079 438 HB2 ALA 31 HB2 ALA 31 -6.252 9.480 7.348 439 HB3 ALA 31 HB3 ALA 31 -9.757 8.996 6.771 440 HB3 ALA 31 HB3 ALA 31 -7.686 10.504 7.423 441 H SER 32 H SER 32 -5.674 8.923 6.384 442 H SER 32 H SER 32 -4.649 9.273 4.809 443 HA SER 32 HA SER 32 -5.884 7.380 3.887 444 HA SER 32 HA SER 32 -5.758 7.353 2.884 445 HB2 SER 32 HB2 SER 32 -4.335 8.803 3.048 446 HB2 SER 32 HB2 SER 32 -3.057 7.271 2.483 447 HB3 SER 32 HB3 SER 32 -3.878 9.397 4.645 448 HB3 SER 32 HB3 SER 32 -4.162 8.331 1.609 449 HG SER 32 HG SER 32 -2.134 8.274 4.129 450 HG SER 32 HG SER 32 -2.240 9.299 2.696 451 H GLN 33 H GLN 33 -4.966 5.351 3.898 452 H GLN 33 H GLN 33 -4.823 5.208 2.782 453 HA GLN 33 HA GLN 33 -3.498 4.473 6.258 454 HA GLN 33 HA GLN 33 -3.279 4.242 5.014 455 HB2 GLN 33 HB2 GLN 33 -5.500 2.494 5.579 456 HB2 GLN 33 HB2 GLN 33 -5.596 4.343 5.929 457 HB3 GLN 33 HB3 GLN 33 -5.109 3.197 7.142 458 HB3 GLN 33 HB3 GLN 33 -6.107 3.232 4.666 459 HG2 GLN 33 HG2 GLN 33 -6.502 5.163 6.539 460 HG2 GLN 33 HG2 GLN 33 -4.875 1.460 5.565 461 HG3 GLN 33 HG3 GLN 33 -6.986 4.308 5.075 462 HG3 GLN 33 HG3 GLN 33 -3.915 2.533 6.585 463 HE21 GLN 33 HE21 GLN 33 -6.753 3.719 8.568 464 HE21 GLN 33 HE21 GLN 33 -6.694 0.604 6.356 465 HE22 GLN 33 HE22 GLN 33 -8.274 2.911 8.705 466 HE22 GLN 33 HE22 GLN 33 -7.376 0.977 7.898 467 H PHE 34 H PHE 34 -2.965 2.015 5.951 468 H PHE 34 H PHE 34 -2.076 2.553 4.402 469 HA PHE 34 HA PHE 34 -2.354 1.517 3.117 470 HA PHE 34 HA PHE 34 -2.204 1.610 1.722 471 HB2 PHE 34 HB2 PHE 34 -0.499 2.000 5.258 472 HB2 PHE 34 HB2 PHE 34 -0.605 0.576 4.076 473 HB3 PHE 34 HB3 PHE 34 -0.289 0.360 4.658 474 HB3 PHE 34 HB3 PHE 34 -0.349 0.119 2.395 475 HD1 PHE 34 HD1 PHE 34 -0.373 0.244 1.965 476 HD1 PHE 34 HD1 PHE 34 -0.032 2.204 0.767 477 HD2 PHE 34 HD2 PHE 34 0.799 3.613 4.290 478 HD2 PHE 34 HD2 PHE 34 0.751 2.199 4.951 479 HE1 PHE 34 HE1 PHE 34 0.922 1.107 0.058 480 HE1 PHE 34 HE1 PHE 34 1.499 4.110 0.481 481 HE2 PHE 34 HE2 PHE 34 2.094 4.480 2.386 482 HE2 PHE 34 HE2 PHE 34 2.282 4.105 4.671 483 HZ PHE 34 HZ PHE 34 2.157 3.228 0.267 484 HZ PHE 34 HZ PHE 34 2.658 5.062 2.434 485 H GLU 35 H GLU 35 -4.512 0.476 4.708 486 H GLU 35 H GLU 35 -3.210 0.313 4.833 487 HA GLU 35 HA GLU 35 -3.986 -2.354 4.320 488 HA GLU 35 HA GLU 35 -3.956 -2.241 3.695 489 HB2 GLU 35 HB2 GLU 35 -4.434 -1.096 6.977 490 HB2 GLU 35 HB2 GLU 35 -4.674 -1.246 6.443 491 HB3 GLU 35 HB3 GLU 35 -5.243 -2.624 6.663 492 HB3 GLU 35 HB3 GLU 35 -4.507 -2.909 5.899 493 HG2 GLU 35 HG2 GLU 35 -3.300 -3.364 7.595 494 HG2 GLU 35 HG2 GLU 35 -2.475 -2.852 6.781 495 HG3 GLU 35 HG3 GLU 35 -2.862 -3.378 5.886 496 HG3 GLU 35 HG3 GLU 35 -2.021 -1.837 5.415 497 H ARG 36 H ARG 36 -5.910 -3.635 4.206 498 H ARG 36 H ARG 36 -6.205 -3.087 4.185 499 HA ARG 36 HA ARG 36 -7.988 -2.541 2.775 500 HA ARG 36 HA ARG 36 -8.120 -1.179 3.128 501 HB2 ARG 36 HB2 ARG 36 -7.721 -4.900 2.756 502 HB2 ARG 36 HB2 ARG 36 -7.946 -3.462 2.179 503 HB3 ARG 36 HB3 ARG 36 -7.880 -5.005 4.506 504 HB3 ARG 36 HB3 ARG 36 -8.457 -4.122 3.728 505 HG2 ARG 36 HG2 ARG 36 -10.183 -4.698 4.441 506 HG2 ARG 36 HG2 ARG 36 -10.474 -2.403 3.259 507 HG3 ARG 36 HG3 ARG 36 -10.141 -4.011 2.816 508 HG3 ARG 36 HG3 ARG 36 -10.029 -2.827 1.605 509 HD2 ARG 36 HD2 ARG 36 -9.162 -6.394 2.223 510 HD2 ARG 36 HD2 ARG 36 -10.419 -4.944 3.688 511 HD3 ARG 36 HD3 ARG 36 -10.031 -6.853 3.686 512 HD3 ARG 36 HD3 ARG 36 -11.796 -4.257 2.828 513 HE ARG 36 HE ARG 36 -11.669 -5.328 1.929 514 HE ARG 36 HE ARG 36 -10.116 -4.963 0.832 515 HH11 ARG 36 HH11 ARG 36 -10.358 -8.509 2.462 516 HH11 ARG 36 HH11 ARG 36 -11.400 -6.664 3.585 517 HH12 ARG 36 HH12 ARG 36 -11.639 -9.319 1.624 518 HH12 ARG 36 HH12 ARG 36 -11.376 -8.212 2.805 519 HH21 ARG 36 HH21 ARG 36 -13.363 -6.385 0.826 520 HH21 ARG 36 HH21 ARG 36 -10.080 -6.994 -0.207 521 HH22 ARG 36 HH22 ARG 36 -13.349 -8.110 0.694 522 HH22 ARG 36 HH22 ARG 36 -10.624 -8.398 0.649 523 HA PRO 37 HA PRO 37 -9.932 -0.194 6.082 524 HA PRO 37 HA PRO 37 -9.483 -0.400 7.337 525 HB2 PRO 37 HB2 PRO 37 -11.608 1.167 4.437 526 HB2 PRO 37 HB2 PRO 37 -11.151 1.634 6.667 527 HB3 PRO 37 HB3 PRO 37 -9.909 1.605 4.652 528 HB3 PRO 37 HB3 PRO 37 -9.401 1.836 6.814 529 HG2 PRO 37 HG2 PRO 37 -11.198 0.036 2.452 530 HG2 PRO 37 HG2 PRO 37 -11.063 1.456 4.354 531 HG3 PRO 37 HG3 PRO 37 -9.963 1.304 2.347 532 HG3 PRO 37 HG3 PRO 37 -9.709 2.569 4.629 533 HD2 PRO 37 HD2 PRO 37 -9.363 -1.332 2.186 534 HD2 PRO 37 HD2 PRO 37 -9.426 0.233 3.288 535 HD3 PRO 37 HD3 PRO 37 -8.254 -0.143 2.896 536 HD3 PRO 37 HD3 PRO 37 -8.127 0.930 4.277 537 H SER 38 H SER 38 -11.431 -1.113 7.320 538 H SER 38 H SER 38 -11.502 -0.545 8.460 539 HA SER 38 HA SER 38 -13.309 -3.006 6.337 540 HA SER 38 HA SER 38 -13.563 -1.999 6.938 541 HB2 SER 38 HB2 SER 38 -14.199 -2.973 8.662 542 HB2 SER 38 HB2 SER 38 -12.331 -3.264 8.754 543 HB3 SER 38 HB3 SER 38 -12.452 -3.197 8.602 544 HB3 SER 38 HB3 SER 38 -13.085 -2.177 9.918 545 HG SER 38 HG SER 38 -12.949 -1.651 10.154 546 HG SER 38 HG SER 38 -14.265 -4.135 9.609 547 H GLY 39 H GLY 39 -14.069 -0.064 8.197 548 H GLY 39 H GLY 39 -15.797 -1.766 7.770 549 HA2 GLY 39 HA2 GLY 39 -15.469 1.563 6.740 550 HA2 GLY 39 HA2 GLY 39 -17.603 -0.398 8.146 551 HA3 GLY 39 HA3 GLY 39 -16.543 0.176 6.630 552 HA3 GLY 39 HA3 GLY 39 -16.686 0.162 9.535 Start of MODEL 15 1 H1 SER 5 H SER 5 -15.092 -3.758 -7.161 2 H1 SER 5 H SER 5 -14.066 -2.254 -8.139 3 HA SER 5 HA SER 5 -12.671 -4.499 -6.846 4 HA SER 5 HA SER 5 -11.360 -2.791 -7.194 5 HB2 SER 5 HB2 SER 5 -12.530 -1.509 -6.789 6 HB2 SER 5 HB2 SER 5 -12.985 -0.477 -6.111 7 HB3 SER 5 HB3 SER 5 -11.404 -2.438 -5.799 8 HB3 SER 5 HB3 SER 5 -11.385 -0.982 -5.568 9 HG SER 5 HG SER 5 -10.416 -3.132 -7.549 10 HG SER 5 HG SER 5 -12.044 -0.018 -8.158 11 H LYS 6 H LYS 6 -12.750 -5.558 -4.990 12 H LYS 6 H LYS 6 -11.716 -2.587 -4.515 13 HA LYS 6 HA LYS 6 -14.574 -5.144 -2.962 14 HA LYS 6 HA LYS 6 -14.129 -4.095 -3.841 15 HB2 LYS 6 HB2 LYS 6 -13.075 -6.580 -1.563 16 HB2 LYS 6 HB2 LYS 6 -12.639 -5.642 -2.447 17 HB3 LYS 6 HB3 LYS 6 -13.443 -7.249 -3.148 18 HB3 LYS 6 HB3 LYS 6 -12.663 -5.899 -4.188 19 HG2 LYS 6 HG2 LYS 6 -11.234 -6.258 -3.913 20 HG2 LYS 6 HG2 LYS 6 -10.566 -4.587 -4.360 21 HG3 LYS 6 HG3 LYS 6 -10.883 -6.004 -2.201 22 HG3 LYS 6 HG3 LYS 6 -10.525 -4.495 -2.598 23 HD2 LYS 6 HD2 LYS 6 -10.832 -8.288 -1.749 24 HD2 LYS 6 HD2 LYS 6 -9.283 -6.365 -2.773 25 HD3 LYS 6 HD3 LYS 6 -11.747 -8.693 -3.203 26 HD3 LYS 6 HD3 LYS 6 -10.848 -7.159 -2.955 27 HE2 LYS 6 HE2 LYS 6 -9.876 -8.937 -4.380 28 HE2 LYS 6 HE2 LYS 6 -10.597 -7.431 -5.225 29 HE3 LYS 6 HE3 LYS 6 -9.305 -7.341 -3.897 30 HE3 LYS 6 HE3 LYS 6 -9.502 -6.058 -5.375 31 HZ1 LYS 6 HZ1 LYS 6 -8.002 -9.498 -3.248 32 HZ1 LYS 6 HZ1 LYS 6 -8.847 -8.755 -5.158 33 HZ2 LYS 6 HZ2 LYS 6 -9.104 -9.534 -1.965 34 HZ2 LYS 6 HZ2 LYS 6 -8.312 -8.007 -3.737 35 HZ3 LYS 6 HZ3 LYS 6 -8.099 -8.191 -2.178 36 HZ3 LYS 6 HZ3 LYS 6 -7.792 -7.435 -5.242 37 H LEU 7 H LEU 7 -14.808 -3.341 -1.810 38 H LEU 7 H LEU 7 -13.916 -1.525 -3.194 39 HA LEU 7 HA LEU 7 -12.865 -2.501 0.050 40 HA LEU 7 HA LEU 7 -13.104 -1.518 -0.361 41 HB2 LEU 7 HB2 LEU 7 -12.296 -0.323 -0.823 42 HB2 LEU 7 HB2 LEU 7 -12.959 0.560 -2.490 43 HB3 LEU 7 HB3 LEU 7 -11.789 -1.582 -1.946 44 HB3 LEU 7 HB3 LEU 7 -13.207 1.073 -0.821 45 HG LEU 7 HG LEU 7 -14.220 -0.929 -2.964 46 HG LEU 7 HG LEU 7 -11.108 0.138 -0.152 47 HD11 LEU 7 HD11 LEU 7 -14.912 0.944 -1.944 48 HD11 LEU 7 HD11 LEU 7 -11.178 -1.128 -2.856 49 HD12 LEU 7 HD12 LEU 7 -13.729 1.738 -2.984 50 HD12 LEU 7 HD12 LEU 7 -10.826 -1.850 -1.287 51 HD13 LEU 7 HD13 LEU 7 -13.306 1.325 -1.324 52 HD13 LEU 7 HD13 LEU 7 -9.633 -0.811 -2.066 53 HD21 LEU 7 HD21 LEU 7 -12.911 0.456 -4.592 54 HD21 LEU 7 HD21 LEU 7 -9.851 1.269 -2.408 55 HD22 LEU 7 HD22 LEU 7 -12.265 -1.161 -4.305 56 HD22 LEU 7 HD22 LEU 7 -10.182 2.029 -0.851 57 HD23 LEU 7 HD23 LEU 7 -11.505 0.240 -3.548 58 HD23 LEU 7 HD23 LEU 7 -11.357 2.152 -2.161 59 HA PRO 8 HA PRO 8 -16.433 -0.727 1.889 60 HA PRO 8 HA PRO 8 -17.233 -0.681 0.867 61 HB2 PRO 8 HB2 PRO 8 -15.332 1.235 3.410 62 HB2 PRO 8 HB2 PRO 8 -16.872 1.056 2.923 63 HB3 PRO 8 HB3 PRO 8 -15.184 -0.482 3.803 64 HB3 PRO 8 HB3 PRO 8 -16.475 -0.663 3.037 65 HG2 PRO 8 HG2 PRO 8 -13.222 1.326 2.445 66 HG2 PRO 8 HG2 PRO 8 -14.667 1.667 2.526 67 HG3 PRO 8 HG3 PRO 8 -12.937 0.105 3.700 68 HG3 PRO 8 HG3 PRO 8 -14.414 0.264 3.579 69 HD2 PRO 8 HD2 PRO 8 -12.433 -0.354 1.079 70 HD2 PRO 8 HD2 PRO 8 -13.303 0.458 1.119 71 HD3 PRO 8 HD3 PRO 8 -12.961 -1.635 2.188 72 HD3 PRO 8 HD3 PRO 8 -13.787 -1.096 1.829 73 HA PRO 9 HA PRO 9 -17.811 2.784 -0.377 74 HA PRO 9 HA PRO 9 -18.899 3.036 -0.792 75 HB2 PRO 9 HB2 PRO 9 -19.600 3.861 1.358 76 HB2 PRO 9 HB2 PRO 9 -20.812 3.755 0.995 77 HB3 PRO 9 HB3 PRO 9 -19.905 2.362 0.472 78 HB3 PRO 9 HB3 PRO 9 -20.974 2.359 -0.077 79 HG2 PRO 9 HG2 PRO 9 -18.980 2.741 3.294 80 HG2 PRO 9 HG2 PRO 9 -20.158 2.452 2.802 81 HG3 PRO 9 HG3 PRO 9 -20.184 1.609 2.653 82 HG3 PRO 9 HG3 PRO 9 -21.253 1.321 1.986 83 HD2 PRO 9 HD2 PRO 9 -17.648 0.861 3.239 84 HD2 PRO 9 HD2 PRO 9 -18.682 0.697 2.567 85 HD3 PRO 9 HD3 PRO 9 -18.582 0.121 1.922 86 HD3 PRO 9 HD3 PRO 9 -19.521 0.059 1.138 87 H GLY 10 H GLY 10 -17.373 4.934 -0.669 88 H GLY 10 H GLY 10 -17.459 4.692 -0.831 89 HA2 GLY 10 HA2 GLY 10 -16.776 7.117 -0.061 90 HA2 GLY 10 HA2 GLY 10 -17.458 7.037 0.117 91 HA3 GLY 10 HA3 GLY 10 -16.503 6.560 1.583 92 HA3 GLY 10 HA3 GLY 10 -17.119 6.253 1.653 93 H TRP 11 H TRP 11 -14.867 4.286 0.339 94 H TRP 11 H TRP 11 -15.322 4.276 0.577 95 HA TRP 11 HA TRP 11 -12.369 5.804 0.271 96 HA TRP 11 HA TRP 11 -12.946 5.923 0.459 97 HB2 TRP 11 HB2 TRP 11 -12.896 2.840 0.562 98 HB2 TRP 11 HB2 TRP 11 -13.445 2.966 0.703 99 HB3 TRP 11 HB3 TRP 11 -11.296 3.572 0.552 100 HB3 TRP 11 HB3 TRP 11 -11.829 3.590 0.377 101 HD1 TRP 11 HD1 TRP 11 -14.456 3.330 2.720 102 HD1 TRP 11 HD1 TRP 11 -14.557 3.673 3.097 103 HE1 TRP 11 HE1 TRP 11 -13.837 3.974 5.134 104 HE1 TRP 11 HE1 TRP 11 -13.436 4.238 5.344 105 HE3 TRP 11 HE3 TRP 11 -9.644 4.871 1.943 106 HE3 TRP 11 HE3 TRP 11 -9.822 4.633 1.424 107 HZ2 TRP 11 HZ2 TRP 11 -11.605 5.000 6.525 108 HZ2 TRP 11 HZ2 TRP 11 -10.884 4.992 6.285 109 HZ3 TRP 11 HZ3 TRP 11 -8.335 5.670 3.866 110 HZ3 TRP 11 HZ3 TRP 11 -8.100 5.270 3.062 111 HH2 TRP 11 HH2 TRP 11 -9.298 5.733 6.110 112 HH2 TRP 11 HH2 TRP 11 -8.621 5.446 5.442 113 H GLU 12 H GLU 12 -10.755 5.393 -1.329 114 H GLU 12 H GLU 12 -11.290 5.658 -1.163 115 HA GLU 12 HA GLU 12 -11.700 4.109 -3.790 116 HA GLU 12 HA GLU 12 -12.319 4.734 -3.762 117 HB2 GLU 12 HB2 GLU 12 -11.596 5.963 -5.064 118 HB2 GLU 12 HB2 GLU 12 -12.074 7.337 -3.235 119 HB3 GLU 12 HB3 GLU 12 -11.740 6.825 -3.537 120 HB3 GLU 12 HB3 GLU 12 -10.407 7.014 -3.687 121 HG2 GLU 12 HG2 GLU 12 -9.272 6.931 -3.414 122 HG2 GLU 12 HG2 GLU 12 -12.670 6.155 -5.444 123 HG3 GLU 12 HG3 GLU 12 -9.196 6.180 -5.006 124 HG3 GLU 12 HG3 GLU 12 -12.049 7.804 -5.495 125 H LYS 13 H LYS 13 -10.186 2.943 -4.830 126 H LYS 13 H LYS 13 -11.006 3.432 -4.886 127 HA LYS 13 HA LYS 13 -7.548 2.776 -3.604 128 HA LYS 13 HA LYS 13 -8.457 2.700 -3.698 129 HB2 LYS 13 HB2 LYS 13 -8.961 0.740 -4.117 130 HB2 LYS 13 HB2 LYS 13 -9.778 0.842 -4.338 131 HB3 LYS 13 HB3 LYS 13 -8.665 1.058 -5.820 132 HB3 LYS 13 HB3 LYS 13 -10.137 1.537 -5.914 133 HG2 LYS 13 HG2 LYS 13 -6.333 0.677 -5.569 134 HG2 LYS 13 HG2 LYS 13 -8.130 0.912 -6.804 135 HG3 LYS 13 HG3 LYS 13 -6.468 0.636 -3.810 136 HG3 LYS 13 HG3 LYS 13 -7.301 0.954 -5.246 137 HD2 LYS 13 HD2 LYS 13 -6.689 -1.575 -3.970 138 HD2 LYS 13 HD2 LYS 13 -8.246 -1.118 -4.585 139 HD3 LYS 13 HD3 LYS 13 -8.263 -1.295 -4.716 140 HD3 LYS 13 HD3 LYS 13 -9.397 -1.101 -5.924 141 HE2 LYS 13 HE2 LYS 13 -5.814 -1.157 -6.408 142 HE2 LYS 13 HE2 LYS 13 -7.880 -1.874 -7.406 143 HE3 LYS 13 HE3 LYS 13 -6.426 -2.737 -5.922 144 HE3 LYS 13 HE3 LYS 13 -6.555 -0.962 -6.686 145 HZ1 LYS 13 HZ1 LYS 13 -7.396 -0.997 -7.931 146 HZ1 LYS 13 HZ1 LYS 13 -6.165 -3.285 -6.369 147 HZ2 LYS 13 HZ2 LYS 13 -8.615 -1.294 -6.795 148 HZ2 LYS 13 HZ2 LYS 13 -7.698 -3.516 -5.694 149 HZ3 LYS 13 HZ3 LYS 13 -7.862 -2.587 -7.583 150 HZ3 LYS 13 HZ3 LYS 13 -6.536 -2.607 -4.864 151 H ARG 14 H ARG 14 -5.686 3.392 -4.551 152 H ARG 14 H ARG 14 -6.785 3.970 -4.199 153 HA ARG 14 HA ARG 14 -5.821 4.359 -7.331 154 HA ARG 14 HA ARG 14 -6.466 4.803 -7.007 155 HB2 ARG 14 HB2 ARG 14 -4.244 5.608 -5.072 156 HB2 ARG 14 HB2 ARG 14 -5.126 6.158 -4.683 157 HB3 ARG 14 HB3 ARG 14 -4.295 6.171 -6.738 158 HB3 ARG 14 HB3 ARG 14 -5.403 6.780 -6.305 159 HG2 ARG 14 HG2 ARG 14 -6.963 6.043 -5.882 160 HG2 ARG 14 HG2 ARG 14 -7.944 6.250 -5.300 161 HG3 ARG 14 HG3 ARG 14 -6.050 6.777 -4.562 162 HG3 ARG 14 HG3 ARG 14 -7.056 6.973 -3.956 163 HD2 ARG 14 HD2 ARG 14 -5.068 8.369 -6.186 164 HD2 ARG 14 HD2 ARG 14 -8.208 8.654 -5.334 165 HD3 ARG 14 HD3 ARG 14 -6.090 7.670 -7.441 166 HD3 ARG 14 HD3 ARG 14 -6.459 8.873 -5.330 167 HE ARG 14 HE ARG 14 -7.518 8.629 -5.125 168 HE ARG 14 HE ARG 14 -6.838 7.394 -7.537 169 HH11 ARG 14 HH11 ARG 14 -6.238 9.418 -8.263 170 HH11 ARG 14 HH11 ARG 14 -8.387 10.284 -6.368 171 HH12 ARG 14 HH12 ARG 14 -7.319 10.749 -8.514 172 HH12 ARG 14 HH12 ARG 14 -8.740 10.893 -7.951 173 HH21 ARG 14 HH21 ARG 14 -8.948 10.379 -5.443 174 HH21 ARG 14 HH21 ARG 14 -7.299 8.183 -9.627 175 HH22 ARG 14 HH22 ARG 14 -8.859 11.295 -6.908 176 HH22 ARG 14 HH22 ARG 14 -8.123 9.695 -9.804 177 H MET 15 H MET 15 -3.723 4.414 -8.441 178 H MET 15 H MET 15 -4.227 4.980 -7.772 179 HA MET 15 HA MET 15 -1.863 2.379 -7.404 180 HA MET 15 HA MET 15 -2.407 3.117 -6.401 181 HB2 MET 15 HB2 MET 15 -3.071 2.680 -10.126 182 HB2 MET 15 HB2 MET 15 -3.686 2.544 -8.758 183 HB3 MET 15 HB3 MET 15 -1.472 1.969 -9.965 184 HB3 MET 15 HB3 MET 15 -2.157 3.203 -9.325 185 HG2 MET 15 HG2 MET 15 -3.771 0.944 -8.355 186 HG2 MET 15 HG2 MET 15 -1.202 1.249 -8.957 187 HG3 MET 15 HG3 MET 15 -3.528 0.427 -10.022 188 HG3 MET 15 HG3 MET 15 -1.545 1.420 -7.237 189 HE1 MET 15 HE1 MET 15 -1.927 -2.716 -9.176 190 HE1 MET 15 HE1 MET 15 -0.997 -1.037 -8.161 191 HE2 MET 15 HE2 MET 15 -3.324 -2.229 -8.215 192 HE2 MET 15 HE2 MET 15 -2.303 -2.155 -7.767 193 HE3 MET 15 HE3 MET 15 -3.232 -1.791 -9.921 194 HE3 MET 15 HE3 MET 15 -1.976 -1.739 -9.450 195 H SER 16 H SER 16 -0.172 3.577 -6.745 196 H SER 16 H SER 16 -0.231 3.608 -6.466 197 HA SER 16 HA SER 16 0.668 6.024 -7.711 198 HA SER 16 HA SER 16 0.404 6.308 -7.446 199 HB2 SER 16 HB2 SER 16 1.635 4.092 -5.865 200 HB2 SER 16 HB2 SER 16 1.024 6.522 -5.272 201 HB3 SER 16 HB3 SER 16 2.981 4.545 -6.908 202 HB3 SER 16 HB3 SER 16 1.169 4.778 -5.040 203 HG SER 16 HG SER 16 2.996 6.056 -5.346 204 HG SER 16 HG SER 16 3.229 5.258 -5.050 205 H ARG 17 H ARG 17 2.891 6.400 -8.755 206 H ARG 17 H ARG 17 1.518 6.371 -9.272 207 HA ARG 17 HA ARG 17 3.235 4.569 -11.038 208 HA ARG 17 HA ARG 17 2.718 4.163 -10.502 209 HB2 ARG 17 HB2 ARG 17 3.662 6.491 -12.479 210 HB2 ARG 17 HB2 ARG 17 3.372 5.619 -12.193 211 HB3 ARG 17 HB3 ARG 17 2.066 6.605 -11.754 212 HB3 ARG 17 HB3 ARG 17 1.982 6.440 -11.497 213 HG2 ARG 17 HG2 ARG 17 2.588 8.447 -10.556 214 HG2 ARG 17 HG2 ARG 17 4.008 7.476 -10.015 215 HG3 ARG 17 HG3 ARG 17 4.263 7.946 -10.311 216 HG3 ARG 17 HG3 ARG 17 4.796 7.235 -11.575 217 HD2 ARG 17 HD2 ARG 17 3.896 9.973 -11.786 218 HD2 ARG 17 HD2 ARG 17 2.290 8.812 -11.015 219 HD3 ARG 17 HD3 ARG 17 4.906 8.689 -12.451 220 HD3 ARG 17 HD3 ARG 17 3.856 9.442 -11.525 221 HE ARG 17 HE ARG 17 2.138 8.465 -13.184 222 HE ARG 17 HE ARG 17 2.810 7.571 -13.399 223 HH11 ARG 17 HH11 ARG 17 5.192 9.935 -13.976 224 HH11 ARG 17 HH11 ARG 17 2.561 10.868 -12.311 225 HH12 ARG 17 HH12 ARG 17 4.794 10.170 -15.645 226 HH12 ARG 17 HH12 ARG 17 1.994 11.465 -13.835 227 HH21 ARG 17 HH21 ARG 17 1.602 8.770 -15.379 228 HH21 ARG 17 HH21 ARG 17 2.065 8.345 -15.411 229 HH22 ARG 17 HH22 ARG 17 2.751 9.507 -16.443 230 HH22 ARG 17 HH22 ARG 17 1.713 10.029 -15.597 231 H ASN 18 H ASN 18 4.752 4.192 -8.835 232 H ASN 18 H ASN 18 5.190 4.721 -11.350 233 HA ASN 18 HA ASN 18 7.401 4.877 -9.817 234 HA ASN 18 HA ASN 18 7.408 4.673 -10.831 235 HB2 ASN 18 HB2 ASN 18 6.201 6.121 -7.476 236 HB2 ASN 18 HB2 ASN 18 6.291 6.562 -8.975 237 HB3 ASN 18 HB3 ASN 18 7.695 5.274 -7.079 238 HB3 ASN 18 HB3 ASN 18 7.552 5.630 -8.174 239 HD21 ASN 18 HD21 ASN 18 7.013 8.152 -7.204 240 HD21 ASN 18 HD21 ASN 18 6.856 8.149 -10.314 241 HD22 ASN 18 HD22 ASN 18 8.194 8.852 -8.254 242 HD22 ASN 18 HD22 ASN 18 8.471 8.490 -10.823 243 H SER 19 H SER 19 5.459 3.214 -7.371 244 H SER 19 H SER 19 6.078 4.291 -7.558 245 HA SER 19 HA SER 19 7.221 0.892 -7.639 246 HA SER 19 HA SER 19 7.610 1.858 -7.212 247 HB2 SER 19 HB2 SER 19 7.286 0.543 -5.220 248 HB2 SER 19 HB2 SER 19 6.876 1.957 -4.889 249 HB3 SER 19 HB3 SER 19 7.961 2.121 -5.624 250 HB3 SER 19 HB3 SER 19 7.445 3.547 -5.398 251 HG SER 19 HG SER 19 5.380 1.561 -4.596 252 HG SER 19 HG SER 19 5.425 4.302 -5.377 253 H GLY 20 H GLY 20 4.459 1.703 -8.497 254 H GLY 20 H GLY 20 4.280 2.809 -7.701 255 HA2 GLY 20 HA2 GLY 20 2.337 0.815 -8.588 256 HA2 GLY 20 HA2 GLY 20 2.448 1.549 -8.299 257 HA3 GLY 20 HA3 GLY 20 3.172 -0.718 -8.389 258 HA3 GLY 20 HA3 GLY 20 3.529 0.175 -8.483 259 H ARG 21 H ARG 21 3.157 1.809 -5.961 260 H ARG 21 H ARG 21 2.735 2.154 -5.639 261 HA ARG 21 HA ARG 21 2.277 0.026 -3.939 262 HA ARG 21 HA ARG 21 2.000 -0.332 -4.246 263 HB2 ARG 21 HB2 ARG 21 3.451 2.569 -4.040 264 HB2 ARG 21 HB2 ARG 21 3.271 2.220 -3.357 265 HB3 ARG 21 HB3 ARG 21 1.902 2.808 -3.239 266 HB3 ARG 21 HB3 ARG 21 2.296 1.322 -2.202 267 HG2 ARG 21 HG2 ARG 21 2.529 1.684 -1.392 268 HG2 ARG 21 HG2 ARG 21 3.869 -0.228 -1.912 269 HG3 ARG 21 HG3 ARG 21 3.480 0.507 -2.302 270 HG3 ARG 21 HG3 ARG 21 4.195 -0.350 -3.642 271 HD2 ARG 21 HD2 ARG 21 4.957 1.832 -0.938 272 HD2 ARG 21 HD2 ARG 21 6.183 0.434 -2.588 273 HD3 ARG 21 HD3 ARG 21 5.220 2.237 -2.634 274 HD3 ARG 21 HD3 ARG 21 5.476 1.787 -3.468 275 HE ARG 21 HE ARG 21 3.923 3.927 -0.623 276 HE ARG 21 HE ARG 21 5.524 1.445 -0.555 277 HH11 ARG 21 HH11 ARG 21 5.147 3.479 -3.852 278 HH11 ARG 21 HH11 ARG 21 4.819 3.385 -3.360 279 HH12 ARG 21 HH12 ARG 21 5.112 5.168 -4.239 280 HH12 ARG 21 HH12 ARG 21 4.630 4.853 -2.458 281 HH21 ARG 21 HH21 ARG 21 3.872 6.154 -1.123 282 HH21 ARG 21 HH21 ARG 21 5.276 3.369 0.643 283 HH22 ARG 21 HH22 ARG 21 4.388 6.688 -2.686 284 HH22 ARG 21 HH22 ARG 21 4.891 4.842 -0.181 285 H VAL 22 H VAL 22 0.312 -0.243 -2.979 286 H VAL 22 H VAL 22 -0.154 -0.562 -4.537 287 HA VAL 22 HA VAL 22 -1.960 1.180 -4.206 288 HA VAL 22 HA VAL 22 -2.080 1.377 -4.860 289 HB VAL 22 HB VAL 22 -1.887 -1.662 -3.184 290 HB VAL 22 HB VAL 22 -2.372 -1.134 -5.070 291 HG11 VAL 22 HG11 VAL 22 -4.161 -0.099 -4.402 292 HG11 VAL 22 HG11 VAL 22 -1.626 -1.250 -2.492 293 HG12 VAL 22 HG12 VAL 22 -4.196 -1.810 -3.980 294 HG12 VAL 22 HG12 VAL 22 -3.380 -1.242 -2.297 295 HG13 VAL 22 HG13 VAL 22 -4.029 -0.592 -2.715 296 HG13 VAL 22 HG13 VAL 22 -2.604 -2.490 -3.276 297 HG21 VAL 22 HG21 VAL 22 -1.734 -2.388 -5.324 298 HG21 VAL 22 HG21 VAL 22 -4.452 0.531 -3.661 299 HG22 VAL 22 HG22 VAL 22 -2.630 -1.014 -5.972 300 HG22 VAL 22 HG22 VAL 22 -4.248 0.311 -5.398 301 HG23 VAL 22 HG23 VAL 22 -0.928 -0.834 -5.544 302 HG23 VAL 22 HG23 VAL 22 -4.779 -1.040 -4.396 303 H TYR 23 H TYR 23 -3.526 1.995 -2.887 304 H TYR 23 H TYR 23 -3.256 2.690 -3.567 305 HA TYR 23 HA TYR 23 -3.613 1.327 -0.076 306 HA TYR 23 HA TYR 23 -3.034 2.421 -0.665 307 HB2 TYR 23 HB2 TYR 23 -3.250 3.629 0.703 308 HB2 TYR 23 HB2 TYR 23 -2.437 4.755 -0.357 309 HB3 TYR 23 HB3 TYR 23 -1.824 2.997 -0.109 310 HB3 TYR 23 HB3 TYR 23 -1.231 3.968 -1.371 311 HD1 TYR 23 HD1 TYR 23 -4.312 5.593 -0.056 312 HD1 TYR 23 HD1 TYR 23 -3.833 6.510 -1.219 313 HD2 TYR 23 HD2 TYR 23 -1.359 3.721 -2.482 314 HD2 TYR 23 HD2 TYR 23 -1.109 4.474 -3.776 315 HE1 TYR 23 HE1 TYR 23 -4.303 7.551 -1.545 316 HE1 TYR 23 HE1 TYR 23 -4.151 8.248 -2.930 317 HE2 TYR 23 HE2 TYR 23 -1.341 5.675 -3.976 318 HE2 TYR 23 HE2 TYR 23 -1.418 6.207 -5.493 319 HH TYR 23 HH TYR 23 -1.976 8.285 -3.601 320 HH TYR 23 HH TYR 23 -2.360 9.021 -5.122 321 H TYR 24 H TYR 24 -5.249 2.963 1.019 322 H TYR 24 H TYR 24 -4.909 2.796 0.337 323 HA TYR 24 HA TYR 24 -7.486 3.355 -0.858 324 HA TYR 24 HA TYR 24 -7.130 3.835 -1.266 325 HB2 TYR 24 HB2 TYR 24 -7.565 2.337 1.986 326 HB2 TYR 24 HB2 TYR 24 -7.329 2.511 1.437 327 HB3 TYR 24 HB3 TYR 24 -8.993 2.814 1.077 328 HB3 TYR 24 HB3 TYR 24 -8.598 2.716 0.233 329 HD1 TYR 24 HD1 TYR 24 -9.816 1.443 -0.757 330 HD1 TYR 24 HD1 TYR 24 -6.852 0.274 1.721 331 HD2 TYR 24 HD2 TYR 24 -6.367 0.292 1.455 332 HD2 TYR 24 HD2 TYR 24 -7.535 1.735 -2.217 333 HE1 TYR 24 HE1 TYR 24 -9.969 -0.820 -1.707 334 HE1 TYR 24 HE1 TYR 24 -6.340 -1.954 0.811 335 HE2 TYR 24 HE2 TYR 24 -6.511 -1.974 0.508 336 HE2 TYR 24 HE2 TYR 24 -7.028 -0.488 -3.136 337 HH TYR 24 HH TYR 24 -9.231 -3.125 -1.103 338 HH TYR 24 HH TYR 24 -7.173 -2.998 -2.068 339 H PHE 25 H PHE 25 -8.214 5.368 -0.974 340 H PHE 25 H PHE 25 -8.078 5.731 -0.848 341 HA PHE 25 HA PHE 25 -7.627 7.201 1.258 342 HA PHE 25 HA PHE 25 -7.726 6.996 1.758 343 HB2 PHE 25 HB2 PHE 25 -6.407 7.690 -0.869 344 HB2 PHE 25 HB2 PHE 25 -6.155 8.405 1.005 345 HB3 PHE 25 HB3 PHE 25 -7.962 7.934 -1.657 346 HB3 PHE 25 HB3 PHE 25 -6.334 7.811 -0.641 347 HD1 PHE 25 HD1 PHE 25 -8.574 10.114 -1.953 348 HD1 PHE 25 HD1 PHE 25 -7.741 8.949 -2.230 349 HD2 PHE 25 HD2 PHE 25 -6.271 9.076 1.473 350 HD2 PHE 25 HD2 PHE 25 -7.384 10.349 1.773 351 HE1 PHE 25 HE1 PHE 25 -8.563 12.472 -1.249 352 HE1 PHE 25 HE1 PHE 25 -8.775 11.082 -2.886 353 HE2 PHE 25 HE2 PHE 25 -6.257 11.430 2.183 354 HE2 PHE 25 HE2 PHE 25 -8.418 12.485 1.123 355 HZ PHE 25 HZ PHE 25 -7.404 13.132 0.822 356 HZ PHE 25 HZ PHE 25 -9.115 12.854 -1.209 357 H ASN 26 H ASN 26 -9.284 8.212 2.207 358 H ASN 26 H ASN 26 -9.532 7.974 2.429 359 HA ASN 26 HA ASN 26 -11.965 7.759 1.111 360 HA ASN 26 HA ASN 26 -11.671 8.405 0.450 361 HB2 ASN 26 HB2 ASN 26 -11.366 7.101 3.493 362 HB2 ASN 26 HB2 ASN 26 -12.206 6.695 2.131 363 HB3 ASN 26 HB3 ASN 26 -11.283 8.822 3.854 364 HB3 ASN 26 HB3 ASN 26 -11.903 7.857 3.418 365 HD21 ASN 26 HD21 ASN 26 -13.021 7.178 5.180 366 HD21 ASN 26 HD21 ASN 26 -14.220 6.826 3.664 367 HD22 ASN 26 HD22 ASN 26 -14.644 7.562 4.726 368 HD22 ASN 26 HD22 ASN 26 -15.498 7.827 3.068 369 H HIS 27 H HIS 27 -13.141 9.358 0.275 370 H HIS 27 H HIS 27 -12.334 10.418 0.102 371 HA HIS 27 HA HIS 27 -12.023 12.031 0.193 372 HA HIS 27 HA HIS 27 -11.113 12.641 1.326 373 HB2 HIS 27 HB2 HIS 27 -13.535 12.476 -1.551 374 HB2 HIS 27 HB2 HIS 27 -12.999 13.924 0.162 375 HB3 HIS 27 HB3 HIS 27 -13.090 10.788 -1.786 376 HB3 HIS 27 HB3 HIS 27 -11.925 12.976 -0.863 377 HD1 HIS 27 HD1 HIS 27 -15.918 12.858 -0.338 378 HD1 HIS 27 HD1 HIS 27 -15.182 12.224 0.978 379 HD2 HIS 27 HD2 HIS 27 -15.198 9.060 -1.859 380 HD2 HIS 27 HD2 HIS 27 -13.375 11.684 -2.724 381 HE1 HIS 27 HE1 HIS 27 -18.171 11.755 -0.484 382 HE1 HIS 27 HE1 HIS 27 -16.870 10.991 -0.421 383 H ILE 28 H ILE 28 -14.081 10.360 2.214 384 H ILE 28 H ILE 28 -13.722 10.686 2.306 385 HA ILE 28 HA ILE 28 -15.744 12.665 2.875 386 HA ILE 28 HA ILE 28 -15.034 12.695 3.910 387 HB ILE 28 HB ILE 28 -15.765 9.914 4.118 388 HB ILE 28 HB ILE 28 -15.402 9.700 3.816 389 HG12 ILE 28 HG12 ILE 28 -17.338 11.080 1.822 390 HG12 ILE 28 HG12 ILE 28 -16.831 12.020 2.532 391 HG13 ILE 28 HG13 ILE 28 -16.332 9.637 1.816 392 HG13 ILE 28 HG13 ILE 28 -16.138 10.600 1.757 393 HG21 ILE 28 HG21 ILE 28 -16.720 11.808 5.450 394 HG21 ILE 28 HG21 ILE 28 -17.400 10.024 5.127 395 HG22 ILE 28 HG22 ILE 28 -17.901 12.034 4.161 396 HG22 ILE 28 HG22 ILE 28 -16.016 10.680 5.998 397 HG23 ILE 28 HG23 ILE 28 -17.865 10.521 5.068 398 HG23 ILE 28 HG23 ILE 28 -17.131 11.766 5.168 399 HD11 ILE 28 HD11 ILE 28 -18.648 9.011 1.803 400 HD11 ILE 28 HD11 ILE 28 -17.899 9.276 3.054 401 HD12 ILE 28 HD12 ILE 28 -17.934 8.565 3.353 402 HD12 ILE 28 HD12 ILE 28 -18.677 10.837 3.317 403 HD13 ILE 28 HD13 ILE 28 -18.959 9.995 3.234 404 HD13 ILE 28 HD13 ILE 28 -18.428 10.239 1.676 405 H THR 29 H THR 29 -13.330 10.550 4.379 406 H THR 29 H THR 29 -12.723 10.095 4.384 407 HA THR 29 HA THR 29 -13.143 12.425 6.633 408 HA THR 29 HA THR 29 -12.719 10.463 7.268 409 HB THR 29 HB THR 29 -11.864 10.621 7.777 410 HB THR 29 HB THR 29 -11.074 8.652 7.321 411 HG1 THR 29 HG1 THR 29 -11.855 8.558 6.808 412 HG1 THR 29 HG1 THR 29 -10.994 9.191 4.587 413 HG21 THR 29 HG21 THR 29 -14.070 10.614 8.456 414 HG21 THR 29 HG21 THR 29 -13.047 7.556 7.400 415 HG22 THR 29 HG22 THR 29 -13.908 8.980 7.814 416 HG22 THR 29 HG22 THR 29 -12.592 7.019 5.784 417 HG23 THR 29 HG23 THR 29 -14.676 10.235 6.845 418 HG23 THR 29 HG23 THR 29 -13.684 8.389 5.983 419 H ASN 30 H ASN 30 -11.777 12.064 3.732 420 H ASN 30 H ASN 30 -10.752 11.244 4.475 421 HA ASN 30 HA ASN 30 -9.747 12.507 2.784 422 HA ASN 30 HA ASN 30 -8.991 12.656 4.202 423 HB2 ASN 30 HB2 ASN 30 -9.076 14.304 5.070 424 HB2 ASN 30 HB2 ASN 30 -10.512 13.914 6.032 425 HB3 ASN 30 HB3 ASN 30 -8.922 14.587 3.339 426 HB3 ASN 30 HB3 ASN 30 -9.057 13.664 6.992 427 HD21 ASN 30 HD21 ASN 30 -11.364 14.158 2.364 428 HD21 ASN 30 HD21 ASN 30 -7.115 13.910 5.059 429 HD22 ASN 30 HD22 ASN 30 -12.511 15.251 3.055 430 HD22 ASN 30 HD22 ASN 30 -7.102 15.533 4.465 431 H ALA 31 H ALA 31 -9.822 10.298 4.705 432 H ALA 31 H ALA 31 -8.489 10.012 4.982 433 HA ALA 31 HA ALA 31 -7.120 10.393 5.844 434 HA ALA 31 HA ALA 31 -5.793 10.271 5.918 435 HB1 ALA 31 HB1 ALA 31 -7.839 8.276 7.001 436 HB1 ALA 31 HB1 ALA 31 -7.557 10.088 7.950 437 HB2 ALA 31 HB2 ALA 31 -8.730 9.728 7.453 438 HB2 ALA 31 HB2 ALA 31 -7.242 8.379 7.648 439 HB3 ALA 31 HB3 ALA 31 -9.453 8.559 6.348 440 HB3 ALA 31 HB3 ALA 31 -5.907 9.469 8.021 441 H SER 32 H SER 32 -5.659 8.636 5.515 442 H SER 32 H SER 32 -4.586 8.760 4.960 443 HA SER 32 HA SER 32 -6.217 6.967 3.163 444 HA SER 32 HA SER 32 -5.964 6.434 3.796 445 HB2 SER 32 HB2 SER 32 -3.444 7.641 3.167 446 HB2 SER 32 HB2 SER 32 -4.576 6.542 1.954 447 HB3 SER 32 HB3 SER 32 -4.655 7.997 1.937 448 HB3 SER 32 HB3 SER 32 -4.659 8.251 2.379 449 HG SER 32 HG SER 32 -3.747 9.914 2.697 450 HG SER 32 HG SER 32 -2.625 8.214 2.963 451 H GLN 33 H GLN 33 -5.069 4.994 3.072 452 H GLN 33 H GLN 33 -4.773 4.417 3.699 453 HA GLN 33 HA GLN 33 -3.255 4.231 5.156 454 HA GLN 33 HA GLN 33 -2.465 4.086 5.397 455 HB2 GLN 33 HB2 GLN 33 -5.817 4.078 5.954 456 HB2 GLN 33 HB2 GLN 33 -3.422 2.698 7.046 457 HB3 GLN 33 HB3 GLN 33 -5.667 2.509 5.175 458 HB3 GLN 33 HB3 GLN 33 -4.492 4.086 6.933 459 HG2 GLN 33 HG2 GLN 33 -3.529 2.266 6.600 460 HG2 GLN 33 HG2 GLN 33 -5.792 2.577 5.247 461 HG3 GLN 33 HG3 GLN 33 -4.218 3.576 7.558 462 HG3 GLN 33 HG3 GLN 33 -4.939 1.272 6.069 463 HE21 GLN 33 HE21 GLN 33 -6.855 3.011 7.568 464 HE21 GLN 33 HE21 GLN 33 -7.322 0.808 6.465 465 HE22 GLN 33 HE22 GLN 33 -7.149 1.500 8.351 466 HE22 GLN 33 HE22 GLN 33 -7.985 1.435 7.933 467 H PHE 34 H PHE 34 -2.322 2.157 4.816 468 H PHE 34 H PHE 34 -1.707 1.809 5.418 469 HA PHE 34 HA PHE 34 -2.296 1.389 2.041 470 HA PHE 34 HA PHE 34 -2.237 0.591 2.813 471 HB2 PHE 34 HB2 PHE 34 -0.788 0.435 4.471 472 HB2 PHE 34 HB2 PHE 34 -0.072 -0.324 4.673 473 HB3 PHE 34 HB3 PHE 34 -0.607 -0.327 2.895 474 HB3 PHE 34 HB3 PHE 34 -0.112 -0.356 2.912 475 HD1 PHE 34 HD1 PHE 34 -0.173 1.437 0.928 476 HD1 PHE 34 HD1 PHE 34 -0.109 1.953 1.730 477 HD2 PHE 34 HD2 PHE 34 0.746 2.034 5.042 478 HD2 PHE 34 HD2 PHE 34 1.114 1.328 5.759 479 HE1 PHE 34 HE1 PHE 34 1.509 3.122 0.305 480 HE1 PHE 34 HE1 PHE 34 1.176 4.050 1.663 481 HE2 PHE 34 HE2 PHE 34 2.428 3.720 4.424 482 HE2 PHE 34 HE2 PHE 34 2.400 3.425 5.698 483 HZ PHE 34 HZ PHE 34 2.810 4.268 2.055 484 HZ PHE 34 HZ PHE 34 2.432 4.789 3.648 485 H GLU 35 H GLU 35 -3.470 0.045 5.072 486 H GLU 35 H GLU 35 -4.309 0.181 4.510 487 HA GLU 35 HA GLU 35 -4.268 -2.446 3.830 488 HA GLU 35 HA GLU 35 -4.205 -2.703 4.868 489 HB2 GLU 35 HB2 GLU 35 -5.071 -1.504 6.575 490 HB2 GLU 35 HB2 GLU 35 -4.441 -0.748 7.094 491 HB3 GLU 35 HB3 GLU 35 -4.926 -3.155 5.988 492 HB3 GLU 35 HB3 GLU 35 -5.491 -2.155 7.156 493 HG2 GLU 35 HG2 GLU 35 -2.920 -3.199 6.918 494 HG2 GLU 35 HG2 GLU 35 -3.676 -2.903 8.325 495 HG3 GLU 35 HG3 GLU 35 -2.391 -2.095 5.651 496 HG3 GLU 35 HG3 GLU 35 -3.286 -3.470 6.702 497 H ARG 36 H ARG 36 -6.607 -3.186 4.421 498 H ARG 36 H ARG 36 -6.084 -3.660 4.342 499 HA ARG 36 HA ARG 36 -8.395 -1.191 3.264 500 HA ARG 36 HA ARG 36 -8.066 -2.410 2.935 501 HB2 ARG 36 HB2 ARG 36 -8.276 -3.478 2.289 502 HB2 ARG 36 HB2 ARG 36 -7.789 -4.840 2.989 503 HB3 ARG 36 HB3 ARG 36 -8.895 -4.123 3.804 504 HB3 ARG 36 HB3 ARG 36 -8.346 -4.879 4.657 505 HG2 ARG 36 HG2 ARG 36 -10.752 -2.215 3.180 506 HG2 ARG 36 HG2 ARG 36 -10.387 -5.228 3.870 507 HG3 ARG 36 HG3 ARG 36 -10.302 -2.846 1.596 508 HG3 ARG 36 HG3 ARG 36 -10.367 -3.565 3.276 509 HD2 ARG 36 HD2 ARG 36 -10.785 -4.825 3.742 510 HD2 ARG 36 HD2 ARG 36 -9.975 -4.193 1.127 511 HD3 ARG 36 HD3 ARG 36 -12.192 -3.957 3.129 512 HD3 ARG 36 HD3 ARG 36 -9.031 -5.605 1.599 513 HE ARG 36 HE ARG 36 -10.960 -4.790 0.875 514 HE ARG 36 HE ARG 36 -11.843 -5.812 2.184 515 HH11 ARG 36 HH11 ARG 36 -11.952 -6.421 3.787 516 HH11 ARG 36 HH11 ARG 36 -9.346 -6.335 -0.183 517 HH12 ARG 36 HH12 ARG 36 -12.236 -7.936 2.997 518 HH12 ARG 36 HH12 ARG 36 -10.235 -7.550 -1.043 519 HH21 ARG 36 HH21 ARG 36 -11.330 -6.781 -0.177 520 HH21 ARG 36 HH21 ARG 36 -13.025 -7.408 1.062 521 HH22 ARG 36 HH22 ARG 36 -11.882 -8.140 0.742 522 HH22 ARG 36 HH22 ARG 36 -12.328 -8.157 -0.334 523 HA PRO 37 HA PRO 37 -9.818 -0.455 7.470 524 HA PRO 37 HA PRO 37 -9.931 -0.061 6.295 525 HB2 PRO 37 HB2 PRO 37 -11.302 1.725 6.826 526 HB2 PRO 37 HB2 PRO 37 -11.418 1.517 4.662 527 HB3 PRO 37 HB3 PRO 37 -9.549 1.786 7.040 528 HB3 PRO 37 HB3 PRO 37 -9.701 1.800 4.969 529 HG2 PRO 37 HG2 PRO 37 -11.144 1.625 4.511 530 HG2 PRO 37 HG2 PRO 37 -11.013 0.460 2.635 531 HG3 PRO 37 HG3 PRO 37 -9.723 2.621 4.875 532 HG3 PRO 37 HG3 PRO 37 -9.676 1.624 2.649 533 HD2 PRO 37 HD2 PRO 37 -9.565 0.322 3.454 534 HD2 PRO 37 HD2 PRO 37 -9.284 -1.040 2.368 535 HD3 PRO 37 HD3 PRO 37 -8.254 0.882 4.513 536 HD3 PRO 37 HD3 PRO 37 -8.116 0.016 3.188 537 H SER 38 H SER 38 -11.887 -0.471 8.514 538 H SER 38 H SER 38 -11.520 -0.994 7.411 539 HA SER 38 HA SER 38 -13.980 -1.744 6.879 540 HA SER 38 HA SER 38 -13.525 -2.623 6.225 541 HB2 SER 38 HB2 SER 38 -12.927 -3.099 8.749 542 HB2 SER 38 HB2 SER 38 -14.475 -2.714 8.522 543 HB3 SER 38 HB3 SER 38 -13.673 -1.969 9.877 544 HB3 SER 38 HB3 SER 38 -12.750 -3.077 8.484 545 HG SER 38 HG SER 38 -15.212 -3.264 7.906 546 HG SER 38 HG SER 38 -13.000 -1.640 10.116 547 H GLY 39 H GLY 39 -16.230 -1.368 7.634 548 H GLY 39 H GLY 39 -14.071 0.218 8.306 549 HA2 GLY 39 HA2 GLY 39 -17.954 0.121 7.938 550 HA2 GLY 39 HA2 GLY 39 -15.291 2.072 6.971 551 HA3 GLY 39 HA3 GLY 39 -17.048 0.631 9.356 552 HA3 GLY 39 HA3 GLY 39 -16.478 0.799 6.717 Start of MODEL 16 1 H1 SER 5 H SER 5 -10.425 -3.568 -7.397 2 H1 SER 5 H SER 5 -10.891 -4.229 -7.504 3 HA SER 5 HA SER 5 -12.668 -1.755 -6.855 4 HA SER 5 HA SER 5 -12.506 -2.125 -6.833 5 HB2 SER 5 HB2 SER 5 -12.135 -2.786 -9.195 6 HB2 SER 5 HB2 SER 5 -13.226 -4.941 -7.651 7 HB3 SER 5 HB3 SER 5 -12.884 -4.239 -8.532 8 HB3 SER 5 HB3 SER 5 -14.442 -3.679 -7.448 9 HG SER 5 HG SER 5 -14.022 -1.729 -9.071 10 HG SER 5 HG SER 5 -12.200 -3.147 -9.040 11 H LYS 6 H LYS 6 -12.101 -2.676 -4.545 12 H LYS 6 H LYS 6 -12.091 -5.156 -5.104 13 HA LYS 6 HA LYS 6 -14.228 -4.523 -3.918 14 HA LYS 6 HA LYS 6 -14.242 -4.893 -3.310 15 HB2 LYS 6 HB2 LYS 6 -11.333 -5.248 -3.579 16 HB2 LYS 6 HB2 LYS 6 -11.602 -6.231 -2.716 17 HB3 LYS 6 HB3 LYS 6 -12.550 -5.903 -2.491 18 HB3 LYS 6 HB3 LYS 6 -13.168 -6.591 -2.001 19 HG2 LYS 6 HG2 LYS 6 -13.764 -6.637 -4.639 20 HG2 LYS 6 HG2 LYS 6 -13.964 -7.365 -4.202 21 HG3 LYS 6 HG3 LYS 6 -12.208 -6.361 -5.427 22 HG3 LYS 6 HG3 LYS 6 -12.350 -7.077 -4.858 23 HD2 LYS 6 HD2 LYS 6 -11.550 -8.375 -4.758 24 HD2 LYS 6 HD2 LYS 6 -11.825 -9.152 -4.247 25 HD3 LYS 6 HD3 LYS 6 -11.677 -7.832 -3.084 26 HD3 LYS 6 HD3 LYS 6 -11.935 -8.615 -2.568 27 HE2 LYS 6 HE2 LYS 6 -13.174 -9.504 -2.913 28 HE2 LYS 6 HE2 LYS 6 -14.316 -9.194 -2.548 29 HE3 LYS 6 HE3 LYS 6 -14.274 -8.338 -3.646 30 HE3 LYS 6 HE3 LYS 6 -14.199 -9.733 -4.222 31 HZ1 LYS 6 HZ1 LYS 6 -13.488 -10.818 -4.646 32 HZ1 LYS 6 HZ1 LYS 6 -13.484 -11.700 -3.541 33 HZ2 LYS 6 HZ2 LYS 6 -12.841 -9.645 -5.678 34 HZ2 LYS 6 HZ2 LYS 6 -13.738 -11.227 -1.936 35 HZ3 LYS 6 HZ3 LYS 6 -14.505 -9.680 -5.375 36 HZ3 LYS 6 HZ3 LYS 6 -12.222 -11.006 -2.654 37 H LEU 7 H LEU 7 -13.988 -1.853 -3.312 38 H LEU 7 H LEU 7 -14.530 -3.101 -2.135 39 HA LEU 7 HA LEU 7 -13.404 -1.893 -0.424 40 HA LEU 7 HA LEU 7 -12.823 -2.484 0.020 41 HB2 LEU 7 HB2 LEU 7 -12.977 0.193 -2.510 42 HB2 LEU 7 HB2 LEU 7 -11.890 -0.409 -0.610 43 HB3 LEU 7 HB3 LEU 7 -13.322 0.698 -0.858 44 HB3 LEU 7 HB3 LEU 7 -11.500 -1.548 -1.896 45 HG LEU 7 HG LEU 7 -11.330 -0.312 -0.043 46 HG LEU 7 HG LEU 7 -13.902 -0.274 -2.646 47 HD11 LEU 7 HD11 LEU 7 -11.062 -2.345 -1.079 48 HD11 LEU 7 HD11 LEU 7 -11.848 1.825 -2.096 49 HD12 LEU 7 HD12 LEU 7 -9.794 -1.398 -1.856 50 HD12 LEU 7 HD12 LEU 7 -13.040 1.404 -0.865 51 HD13 LEU 7 HD13 LEU 7 -11.320 -1.681 -2.692 52 HD13 LEU 7 HD13 LEU 7 -13.570 2.000 -2.439 53 HD21 LEU 7 HD21 LEU 7 -10.451 1.623 -0.740 54 HD21 LEU 7 HD21 LEU 7 -11.070 0.130 -3.602 55 HD22 LEU 7 HD22 LEU 7 -11.226 1.518 -2.320 56 HD22 LEU 7 HD22 LEU 7 -12.534 0.557 -4.487 57 HD23 LEU 7 HD23 LEU 7 -9.713 0.662 -2.020 58 HD23 LEU 7 HD23 LEU 7 -12.175 -1.136 -4.142 59 HA PRO 8 HA PRO 8 -17.584 -0.871 0.436 60 HA PRO 8 HA PRO 8 -16.490 -0.553 1.460 61 HB2 PRO 8 HB2 PRO 8 -17.320 0.776 2.578 62 HB2 PRO 8 HB2 PRO 8 -15.496 1.295 3.181 63 HB3 PRO 8 HB3 PRO 8 -17.035 -0.966 2.665 64 HB3 PRO 8 HB3 PRO 8 -15.487 -0.438 3.525 65 HG2 PRO 8 HG2 PRO 8 -15.058 1.267 2.409 66 HG2 PRO 8 HG2 PRO 8 -13.278 1.301 2.498 67 HG3 PRO 8 HG3 PRO 8 -14.984 -0.180 3.430 68 HG3 PRO 8 HG3 PRO 8 -13.218 0.026 3.731 69 HD2 PRO 8 HD2 PRO 8 -13.637 0.021 1.090 70 HD2 PRO 8 HD2 PRO 8 -12.406 -0.376 1.180 71 HD3 PRO 8 HD3 PRO 8 -14.273 -1.521 1.697 72 HD3 PRO 8 HD3 PRO 8 -13.136 -1.660 2.163 73 HA PRO 9 HA PRO 9 -18.861 2.983 -1.253 74 HA PRO 9 HA PRO 9 -17.382 3.095 -0.834 75 HB2 PRO 9 HB2 PRO 9 -20.924 3.737 0.342 76 HB2 PRO 9 HB2 PRO 9 -19.335 4.207 0.690 77 HB3 PRO 9 HB3 PRO 9 -21.034 2.391 -0.797 78 HB3 PRO 9 HB3 PRO 9 -19.588 2.756 -0.285 79 HG2 PRO 9 HG2 PRO 9 -20.539 2.337 2.153 80 HG2 PRO 9 HG2 PRO 9 -19.033 2.992 2.647 81 HG3 PRO 9 HG3 PRO 9 -21.591 1.295 1.177 82 HG3 PRO 9 HG3 PRO 9 -20.193 1.945 1.810 83 HD2 PRO 9 HD2 PRO 9 -19.134 0.514 2.008 84 HD2 PRO 9 HD2 PRO 9 -17.797 1.048 2.693 85 HD3 PRO 9 HD3 PRO 9 -19.838 -0.026 0.470 86 HD3 PRO 9 HD3 PRO 9 -18.580 0.403 1.238 87 H GLY 10 H GLY 10 -17.520 4.684 -1.130 88 H GLY 10 H GLY 10 -16.903 5.273 -0.955 89 HA2 GLY 10 HA2 GLY 10 -17.481 6.942 -0.046 90 HA2 GLY 10 HA2 GLY 10 -16.355 7.403 -0.107 91 HA3 GLY 10 HA3 GLY 10 -17.293 6.073 1.471 92 HA3 GLY 10 HA3 GLY 10 -16.131 6.688 1.482 93 H TRP 11 H TRP 11 -15.513 4.091 0.053 94 H TRP 11 H TRP 11 -14.435 4.528 0.409 95 HA TRP 11 HA TRP 11 -13.069 5.675 0.323 96 HA TRP 11 HA TRP 11 -11.951 6.042 0.371 97 HB2 TRP 11 HB2 TRP 11 -13.722 2.761 0.540 98 HB2 TRP 11 HB2 TRP 11 -12.379 3.048 0.483 99 HB3 TRP 11 HB3 TRP 11 -12.071 3.241 0.154 100 HB3 TRP 11 HB3 TRP 11 -10.858 3.896 0.753 101 HD1 TRP 11 HD1 TRP 11 -14.627 3.319 2.991 102 HD1 TRP 11 HD1 TRP 11 -14.313 3.405 2.396 103 HE1 TRP 11 HE1 TRP 11 -13.414 3.917 5.181 104 HE1 TRP 11 HE1 TRP 11 -14.072 3.850 4.921 105 HE3 TRP 11 HE3 TRP 11 -10.035 4.495 1.078 106 HE3 TRP 11 HE3 TRP 11 -9.457 5.001 2.479 107 HZ2 TRP 11 HZ2 TRP 11 -10.849 4.775 5.989 108 HZ2 TRP 11 HZ2 TRP 11 -12.086 4.757 6.710 109 HZ3 TRP 11 HZ3 TRP 11 -8.256 5.195 2.627 110 HZ3 TRP 11 HZ3 TRP 11 -8.461 5.640 4.638 111 HH2 TRP 11 HH2 TRP 11 -8.657 5.331 5.031 112 HH2 TRP 11 HH2 TRP 11 -9.752 5.521 6.708 113 H GLU 12 H GLU 12 -11.344 5.478 -1.206 114 H GLU 12 H GLU 12 -10.452 6.009 -1.268 115 HA GLU 12 HA GLU 12 -12.177 4.569 -3.877 116 HA GLU 12 HA GLU 12 -11.365 4.825 -3.809 117 HB2 GLU 12 HB2 GLU 12 -10.625 7.098 -3.309 118 HB2 GLU 12 HB2 GLU 12 -10.640 7.499 -3.173 119 HB3 GLU 12 HB3 GLU 12 -11.129 6.515 -4.888 120 HB3 GLU 12 HB3 GLU 12 -9.402 6.858 -4.243 121 HG2 GLU 12 HG2 GLU 12 -13.418 6.712 -3.202 122 HG2 GLU 12 HG2 GLU 12 -11.035 6.318 -5.909 123 HG3 GLU 12 HG3 GLU 12 -12.514 8.224 -3.130 124 HG3 GLU 12 HG3 GLU 12 -12.352 6.756 -4.822 125 H LYS 13 H LYS 13 -10.857 3.040 -4.576 126 H LYS 13 H LYS 13 -9.992 3.567 -4.959 127 HA LYS 13 HA LYS 13 -8.269 2.633 -3.375 128 HA LYS 13 HA LYS 13 -7.414 2.944 -3.692 129 HB2 LYS 13 HB2 LYS 13 -9.785 0.757 -4.014 130 HB2 LYS 13 HB2 LYS 13 -8.938 1.052 -3.917 131 HB3 LYS 13 HB3 LYS 13 -9.537 1.178 -5.702 132 HB3 LYS 13 HB3 LYS 13 -9.081 1.345 -5.644 133 HG2 LYS 13 HG2 LYS 13 -7.082 0.748 -4.146 134 HG2 LYS 13 HG2 LYS 13 -6.526 1.003 -5.688 135 HG3 LYS 13 HG3 LYS 13 -8.104 -0.675 -4.368 136 HG3 LYS 13 HG3 LYS 13 -6.759 0.259 -4.105 137 HD2 LYS 13 HD2 LYS 13 -8.109 0.390 -6.873 138 HD2 LYS 13 HD2 LYS 13 -8.724 -0.923 -5.605 139 HD3 LYS 13 HD3 LYS 13 -6.490 0.818 -6.315 140 HD3 LYS 13 HD3 LYS 13 -7.411 -0.748 -6.773 141 HE2 LYS 13 HE2 LYS 13 -5.798 -1.343 -6.242 142 HE2 LYS 13 HE2 LYS 13 -6.543 -1.715 -4.156 143 HE3 LYS 13 HE3 LYS 13 -7.388 -1.948 -5.777 144 HE3 LYS 13 HE3 LYS 13 -7.683 -2.790 -4.963 145 HZ1 LYS 13 HZ1 LYS 13 -6.703 -2.633 -8.024 146 HZ1 LYS 13 HZ1 LYS 13 -5.630 -1.806 -6.709 147 HZ2 LYS 13 HZ2 LYS 13 -6.680 -1.012 -8.504 148 HZ2 LYS 13 HZ2 LYS 13 -6.155 -3.393 -6.450 149 HZ3 LYS 13 HZ3 LYS 13 -8.136 -1.733 -8.030 150 HZ3 LYS 13 HZ3 LYS 13 -5.011 -2.700 -5.413 151 H ARG 14 H ARG 14 -6.468 3.588 -4.029 152 H ARG 14 H ARG 14 -5.784 4.045 -4.564 153 HA ARG 14 HA ARG 14 -6.249 4.392 -6.856 154 HA ARG 14 HA ARG 14 -5.575 4.116 -7.496 155 HB2 ARG 14 HB2 ARG 14 -5.076 5.782 -4.440 156 HB2 ARG 14 HB2 ARG 14 -4.606 6.404 -5.811 157 HB3 ARG 14 HB3 ARG 14 -4.832 6.264 -6.113 158 HB3 ARG 14 HB3 ARG 14 -4.940 6.371 -7.538 159 HG2 ARG 14 HG2 ARG 14 -7.643 6.028 -5.372 160 HG2 ARG 14 HG2 ARG 14 -7.385 5.786 -6.427 161 HG3 ARG 14 HG3 ARG 14 -6.758 7.236 -4.436 162 HG3 ARG 14 HG3 ARG 14 -6.702 6.965 -5.306 163 HD2 ARG 14 HD2 ARG 14 -7.688 8.294 -6.383 164 HD2 ARG 14 HD2 ARG 14 -6.636 8.630 -6.886 165 HD3 ARG 14 HD3 ARG 14 -5.938 8.210 -6.565 166 HD3 ARG 14 HD3 ARG 14 -6.514 7.496 -8.229 167 HE ARG 14 HE ARG 14 -6.744 5.991 -7.840 168 HE ARG 14 HE ARG 14 -8.927 8.488 -7.000 169 HH11 ARG 14 HH11 ARG 14 -7.798 9.304 -8.030 170 HH11 ARG 14 HH11 ARG 14 -7.494 5.990 -8.956 171 HH12 ARG 14 HH12 ARG 14 -8.261 9.197 -9.697 172 HH12 ARG 14 HH12 ARG 14 -8.990 5.539 -9.705 173 HH21 ARG 14 HH21 ARG 14 -7.349 5.838 -10.034 174 HH21 ARG 14 HH21 ARG 14 -10.901 7.904 -7.980 175 HH22 ARG 14 HH22 ARG 14 -8.006 7.226 -10.835 176 HH22 ARG 14 HH22 ARG 14 -10.927 6.628 -9.151 177 H MET 15 H MET 15 -3.942 4.621 -7.589 178 H MET 15 H MET 15 -3.438 4.149 -8.331 179 HA MET 15 HA MET 15 -2.186 2.668 -6.267 180 HA MET 15 HA MET 15 -1.366 3.383 -6.381 181 HB2 MET 15 HB2 MET 15 -3.464 1.980 -8.491 182 HB2 MET 15 HB2 MET 15 -2.412 1.620 -8.086 183 HB3 MET 15 HB3 MET 15 -2.146 2.870 -9.241 184 HB3 MET 15 HB3 MET 15 -1.226 2.338 -9.166 185 HG2 MET 15 HG2 MET 15 -1.188 1.041 -7.218 186 HG2 MET 15 HG2 MET 15 0.560 1.564 -7.945 187 HG3 MET 15 HG3 MET 15 -2.130 0.218 -8.459 188 HG3 MET 15 HG3 MET 15 -0.379 1.431 -6.459 189 HE1 MET 15 HE1 MET 15 -1.197 -0.395 -10.802 190 HE1 MET 15 HE1 MET 15 -0.024 0.340 -9.998 191 HE2 MET 15 HE2 MET 15 0.557 -0.570 -10.829 192 HE2 MET 15 HE2 MET 15 -0.149 -1.419 -9.978 193 HE3 MET 15 HE3 MET 15 -0.372 -1.205 -9.471 194 HE3 MET 15 HE3 MET 15 -1.610 -0.432 -10.035 195 H SER 16 H SER 16 0.016 3.083 -6.370 196 H SER 16 H SER 16 0.398 4.609 -6.408 197 HA SER 16 HA SER 16 0.697 5.836 -7.086 198 HA SER 16 HA SER 16 0.663 6.853 -8.069 199 HB2 SER 16 HB2 SER 16 1.683 3.875 -5.114 200 HB2 SER 16 HB2 SER 16 3.136 5.757 -6.851 201 HB3 SER 16 HB3 SER 16 2.934 4.854 -5.879 202 HB3 SER 16 HB3 SER 16 2.464 7.386 -6.772 203 HG SER 16 HG SER 16 1.145 5.552 -3.988 204 HG SER 16 HG SER 16 2.042 5.205 -5.119 205 H ARG 17 H ARG 17 1.482 6.146 -9.056 206 H ARG 17 H ARG 17 2.692 7.289 -9.390 207 HA ARG 17 HA ARG 17 2.339 4.259 -10.857 208 HA ARG 17 HA ARG 17 3.150 4.997 -11.180 209 HB2 ARG 17 HB2 ARG 17 1.888 6.423 -11.681 210 HB2 ARG 17 HB2 ARG 17 3.441 7.927 -11.853 211 HB3 ARG 17 HB3 ARG 17 3.025 7.174 -10.569 212 HB3 ARG 17 HB3 ARG 17 3.496 6.571 -12.971 213 HG2 ARG 17 HG2 ARG 17 4.884 6.137 -11.786 214 HG2 ARG 17 HG2 ARG 17 1.184 6.158 -12.738 215 HG3 ARG 17 HG3 ARG 17 3.731 5.424 -12.915 216 HG3 ARG 17 HG3 ARG 17 1.063 7.222 -11.335 217 HD2 ARG 17 HD2 ARG 17 4.375 8.330 -12.491 218 HD2 ARG 17 HD2 ARG 17 0.192 8.152 -13.521 219 HD3 ARG 17 HD3 ARG 17 4.560 7.374 -13.961 220 HD3 ARG 17 HD3 ARG 17 1.352 9.157 -12.655 221 HE ARG 17 HE ARG 17 1.891 7.277 -13.440 222 HE ARG 17 HE ARG 17 2.576 7.448 -14.605 223 HH11 ARG 17 HH11 ARG 17 4.209 9.845 -13.836 224 HH11 ARG 17 HH11 ARG 17 0.955 10.488 -14.102 225 HH12 ARG 17 HH12 ARG 17 3.051 10.966 -14.475 226 HH12 ARG 17 HH12 ARG 17 1.665 11.245 -15.490 227 HH21 ARG 17 HH21 ARG 17 0.360 8.743 -14.280 228 HH21 ARG 17 HH21 ARG 17 3.516 8.434 -16.436 229 HH22 ARG 17 HH22 ARG 17 0.863 10.338 -14.727 230 HH22 ARG 17 HH22 ARG 17 3.121 10.076 -16.817 231 H ASN 18 H ASN 18 4.140 5.772 -8.275 232 H ASN 18 H ASN 18 4.751 4.738 -9.171 233 HA ASN 18 HA ASN 18 6.661 4.649 -9.190 234 HA ASN 18 HA ASN 18 7.362 5.307 -10.245 235 HB2 ASN 18 HB2 ASN 18 6.472 6.939 -8.131 236 HB2 ASN 18 HB2 ASN 18 6.528 7.307 -8.737 237 HB3 ASN 18 HB3 ASN 18 6.125 6.126 -6.607 238 HB3 ASN 18 HB3 ASN 18 6.993 6.228 -7.424 239 HD21 ASN 18 HD21 ASN 18 7.770 5.492 -5.384 240 HD21 ASN 18 HD21 ASN 18 9.175 5.563 -7.264 241 HD22 ASN 18 HD22 ASN 18 9.430 5.486 -5.866 242 HD22 ASN 18 HD22 ASN 18 10.440 6.509 -7.968 243 H SER 19 H SER 19 7.305 2.678 -8.659 244 H SER 19 H SER 19 5.970 4.496 -7.059 245 HA SER 19 HA SER 19 7.609 0.725 -7.529 246 HA SER 19 HA SER 19 7.755 2.177 -6.935 247 HB2 SER 19 HB2 SER 19 7.324 2.703 -5.476 248 HB2 SER 19 HB2 SER 19 6.776 4.051 -5.003 249 HB3 SER 19 HB3 SER 19 6.505 1.230 -4.960 250 HB3 SER 19 HB3 SER 19 6.254 2.432 -4.537 251 HG SER 19 HG SER 19 8.417 0.092 -5.304 252 HG SER 19 HG SER 19 8.240 2.554 -3.697 253 H GLY 20 H GLY 20 4.841 1.852 -8.529 254 H GLY 20 H GLY 20 4.407 3.049 -7.209 255 HA2 GLY 20 HA2 GLY 20 2.655 1.119 -8.625 256 HA2 GLY 20 HA2 GLY 20 2.592 1.743 -7.782 257 HA3 GLY 20 HA3 GLY 20 3.415 -0.465 -8.643 258 HA3 GLY 20 HA3 GLY 20 3.682 0.369 -7.901 259 H ARG 21 H ARG 21 3.576 1.744 -5.924 260 H ARG 21 H ARG 21 2.794 2.499 -5.191 261 HA ARG 21 HA ARG 21 2.631 -0.245 -4.122 262 HA ARG 21 HA ARG 21 2.173 0.085 -3.632 263 HB2 ARG 21 HB2 ARG 21 3.396 2.638 -3.891 264 HB2 ARG 21 HB2 ARG 21 3.533 2.588 -3.016 265 HB3 ARG 21 HB3 ARG 21 2.543 1.869 -2.561 266 HB3 ARG 21 HB3 ARG 21 2.274 2.206 -1.849 267 HG2 ARG 21 HG2 ARG 21 4.303 0.516 -2.027 268 HG2 ARG 21 HG2 ARG 21 3.512 0.631 -0.902 269 HG3 ARG 21 HG3 ARG 21 4.935 0.504 -3.674 270 HG3 ARG 21 HG3 ARG 21 3.885 -0.112 -2.458 271 HD2 ARG 21 HD2 ARG 21 6.416 1.761 -2.229 272 HD2 ARG 21 HD2 ARG 21 5.956 0.557 -1.539 273 HD3 ARG 21 HD3 ARG 21 5.650 2.840 -3.395 274 HD3 ARG 21 HD3 ARG 21 5.573 1.735 -2.793 275 HE ARG 21 HE ARG 21 5.110 2.716 -0.521 276 HE ARG 21 HE ARG 21 5.465 2.189 0.100 277 HH11 ARG 21 HH11 ARG 21 4.526 4.171 -3.631 278 HH11 ARG 21 HH11 ARG 21 5.280 3.398 -3.160 279 HH12 ARG 21 HH12 ARG 21 3.754 5.577 -2.974 280 HH12 ARG 21 HH12 ARG 21 5.384 5.062 -2.687 281 HH21 ARG 21 HH21 ARG 21 4.098 4.563 0.356 282 HH21 ARG 21 HH21 ARG 21 5.602 4.376 0.735 283 HH22 ARG 21 HH22 ARG 21 3.513 5.799 -0.706 284 HH22 ARG 21 HH22 ARG 21 5.569 5.617 -0.472 285 H VAL 22 H VAL 22 0.764 -0.073 -2.728 286 H VAL 22 H VAL 22 0.046 -0.082 -4.515 287 HA VAL 22 HA VAL 22 -1.525 1.145 -4.119 288 HA VAL 22 HA VAL 22 -1.901 1.873 -4.598 289 HB VAL 22 HB VAL 22 -1.486 -1.156 -2.159 290 HB VAL 22 HB VAL 22 -2.050 -0.537 -5.427 291 HG11 VAL 22 HG11 VAL 22 -3.528 0.168 -1.970 292 HG11 VAL 22 HG11 VAL 22 -3.447 -1.253 -2.925 293 HG12 VAL 22 HG12 VAL 22 -3.783 0.034 -3.711 294 HG12 VAL 22 HG12 VAL 22 -2.511 -2.259 -4.034 295 HG13 VAL 22 HG13 VAL 22 -3.858 -1.406 -2.694 296 HG13 VAL 22 HG13 VAL 22 -1.684 -1.232 -2.861 297 HG21 VAL 22 HG21 VAL 22 -1.689 -2.609 -3.928 298 HG21 VAL 22 HG21 VAL 22 -4.427 0.612 -3.968 299 HG22 VAL 22 HG22 VAL 22 -2.359 -1.383 -5.001 300 HG22 VAL 22 HG22 VAL 22 -3.889 1.083 -5.579 301 HG23 VAL 22 HG23 VAL 22 -0.634 -1.382 -4.631 302 HG23 VAL 22 HG23 VAL 22 -4.479 -0.552 -5.290 303 H TYR 23 H TYR 23 -2.909 2.492 -3.062 304 H TYR 23 H TYR 23 -3.385 2.707 -3.183 305 HA TYR 23 HA TYR 23 -2.705 2.864 -0.193 306 HA TYR 23 HA TYR 23 -3.402 1.774 -0.421 307 HB2 TYR 23 HB2 TYR 23 -2.121 5.182 -0.251 308 HB2 TYR 23 HB2 TYR 23 -3.076 4.057 0.459 309 HB3 TYR 23 HB3 TYR 23 -0.930 4.330 -1.225 310 HB3 TYR 23 HB3 TYR 23 -1.666 3.486 -0.427 311 HD1 TYR 23 HD1 TYR 23 -3.713 6.700 -1.268 312 HD1 TYR 23 HD1 TYR 23 -4.162 6.050 -0.157 313 HD2 TYR 23 HD2 TYR 23 -0.879 4.602 -3.648 314 HD2 TYR 23 HD2 TYR 23 -1.333 4.297 -2.808 315 HE1 TYR 23 HE1 TYR 23 -4.195 8.203 -3.155 316 HE1 TYR 23 HE1 TYR 23 -4.239 8.067 -1.561 317 HE2 TYR 23 HE2 TYR 23 -1.351 6.099 -5.542 318 HE2 TYR 23 HE2 TYR 23 -1.401 6.311 -4.219 319 HH TYR 23 HH TYR 23 -2.298 8.625 -5.699 320 HH TYR 23 HH TYR 23 -2.490 8.239 -4.626 321 H TYR 24 H TYR 24 -4.530 3.753 0.710 322 H TYR 24 H TYR 24 -5.019 3.296 0.851 323 HA TYR 24 HA TYR 24 -6.788 4.117 -1.131 324 HA TYR 24 HA TYR 24 -7.362 3.739 -0.883 325 HB2 TYR 24 HB2 TYR 24 -6.834 3.580 1.844 326 HB2 TYR 24 HB2 TYR 24 -7.291 2.559 1.901 327 HB3 TYR 24 HB3 TYR 24 -8.227 3.614 0.768 328 HB3 TYR 24 HB3 TYR 24 -8.764 3.008 1.050 329 HD1 TYR 24 HD1 TYR 24 -7.699 2.007 -1.442 330 HD1 TYR 24 HD1 TYR 24 -9.674 1.613 -0.664 331 HD2 TYR 24 HD2 TYR 24 -6.280 1.457 2.533 332 HD2 TYR 24 HD2 TYR 24 -5.909 0.673 1.081 333 HE1 TYR 24 HE1 TYR 24 -7.431 -0.399 -1.877 334 HE1 TYR 24 HE1 TYR 24 -9.747 -0.610 -1.718 335 HE2 TYR 24 HE2 TYR 24 -6.006 -0.951 2.108 336 HE2 TYR 24 HE2 TYR 24 -5.970 -1.549 0.032 337 HH TYR 24 HH TYR 24 -7.198 -2.657 0.360 338 HH TYR 24 HH TYR 24 -8.241 -2.378 -2.389 339 H PHE 25 H PHE 25 -8.278 5.828 -0.807 340 H PHE 25 H PHE 25 -7.968 5.787 -0.908 341 HA PHE 25 HA PHE 25 -7.367 8.027 0.906 342 HA PHE 25 HA PHE 25 -7.522 7.420 1.506 343 HB2 PHE 25 HB2 PHE 25 -6.761 8.125 -1.697 344 HB2 PHE 25 HB2 PHE 25 -6.042 8.225 -0.193 345 HB3 PHE 25 HB3 PHE 25 -8.403 8.754 -1.786 346 HB3 PHE 25 HB3 PHE 25 -7.319 8.194 -1.405 347 HD1 PHE 25 HD1 PHE 25 -8.917 10.607 0.067 348 HD1 PHE 25 HD1 PHE 25 -6.261 9.858 1.735 349 HD2 PHE 25 HD2 PHE 25 -5.066 9.642 -1.465 350 HD2 PHE 25 HD2 PHE 25 -8.646 10.072 -1.783 351 HE1 PHE 25 HE1 PHE 25 -8.102 12.833 0.724 352 HE1 PHE 25 HE1 PHE 25 -6.784 12.208 2.237 353 HE2 PHE 25 HE2 PHE 25 -4.244 11.867 -0.810 354 HE2 PHE 25 HE2 PHE 25 -9.172 12.425 -1.288 355 HZ PHE 25 HZ PHE 25 -5.762 13.466 0.286 356 HZ PHE 25 HZ PHE 25 -8.239 13.496 0.724 357 H ASN 26 H ASN 26 -8.989 8.405 2.253 358 H ASN 26 H ASN 26 -9.281 8.257 2.413 359 HA ASN 26 HA ASN 26 -11.737 7.917 1.405 360 HA ASN 26 HA ASN 26 -11.753 8.365 0.810 361 HB2 ASN 26 HB2 ASN 26 -10.858 7.065 3.606 362 HB2 ASN 26 HB2 ASN 26 -11.841 6.687 2.616 363 HB3 ASN 26 HB3 ASN 26 -10.749 8.738 4.142 364 HB3 ASN 26 HB3 ASN 26 -11.475 7.942 3.796 365 HD21 ASN 26 HD21 ASN 26 -13.169 6.858 2.348 366 HD21 ASN 26 HD21 ASN 26 -13.596 6.765 4.484 367 HD22 ASN 26 HD22 ASN 26 -14.495 7.264 3.379 368 HD22 ASN 26 HD22 ASN 26 -15.048 7.580 4.025 369 H HIS 27 H HIS 27 -12.884 9.512 0.557 370 H HIS 27 H HIS 27 -12.543 10.324 0.451 371 HA HIS 27 HA HIS 27 -12.068 12.265 0.865 372 HA HIS 27 HA HIS 27 -11.376 12.652 1.593 373 HB2 HIS 27 HB2 HIS 27 -13.996 12.724 -0.659 374 HB2 HIS 27 HB2 HIS 27 -13.237 13.839 0.369 375 HB3 HIS 27 HB3 HIS 27 -12.830 11.578 -1.313 376 HB3 HIS 27 HB3 HIS 27 -12.222 12.810 -0.638 377 HD1 HIS 27 HD1 HIS 27 -16.172 11.504 0.504 378 HD1 HIS 27 HD1 HIS 27 -13.296 10.439 -1.289 379 HD2 HIS 27 HD2 HIS 27 -13.959 9.292 -2.230 380 HD2 HIS 27 HD2 HIS 27 -15.905 13.256 0.289 381 HE1 HIS 27 HE1 HIS 27 -17.676 9.621 -0.214 382 HE1 HIS 27 HE1 HIS 27 -15.600 9.625 -1.880 383 H ILE 28 H ILE 28 -13.675 10.287 2.851 384 H ILE 28 H ILE 28 -13.870 10.567 2.601 385 HA ILE 28 HA ILE 28 -15.734 12.209 3.645 386 HA ILE 28 HA ILE 28 -15.371 12.493 4.113 387 HB ILE 28 HB ILE 28 -15.221 9.370 4.528 388 HB ILE 28 HB ILE 28 -15.361 9.479 4.305 389 HG12 ILE 28 HG12 ILE 28 -17.366 10.682 2.854 390 HG12 ILE 28 HG12 ILE 28 -16.941 11.438 2.662 391 HG13 ILE 28 HG13 ILE 28 -16.220 9.446 2.348 392 HG13 ILE 28 HG13 ILE 28 -16.118 9.972 2.139 393 HG21 ILE 28 HG21 ILE 28 -17.387 11.268 5.426 394 HG21 ILE 28 HG21 ILE 28 -17.439 11.419 5.301 395 HG22 ILE 28 HG22 ILE 28 -17.269 9.559 5.848 396 HG22 ILE 28 HG22 ILE 28 -17.406 9.673 5.529 397 HG23 ILE 28 HG23 ILE 28 -16.038 10.692 6.406 398 HG23 ILE 28 HG23 ILE 28 -16.201 10.686 6.320 399 HD11 ILE 28 HD11 ILE 28 -17.305 7.854 3.871 400 HD11 ILE 28 HD11 ILE 28 -17.819 8.691 3.488 401 HD12 ILE 28 HD12 ILE 28 -18.482 9.096 4.300 402 HD12 ILE 28 HD12 ILE 28 -18.702 10.210 3.639 403 HD13 ILE 28 HD13 ILE 28 -18.406 8.486 2.648 404 HD13 ILE 28 HD13 ILE 28 -18.418 9.511 2.045 405 H THR 29 H THR 29 -12.883 10.542 4.905 406 H THR 29 H THR 29 -12.908 10.057 4.843 407 HA THR 29 HA THR 29 -12.834 12.479 7.128 408 HA THR 29 HA THR 29 -12.891 10.759 7.655 409 HB THR 29 HB THR 29 -11.634 10.761 8.467 410 HB THR 29 HB THR 29 -11.081 9.086 7.848 411 HG1 THR 29 HG1 THR 29 -12.512 8.842 6.581 412 HG1 THR 29 HG1 THR 29 -10.099 8.352 6.116 413 HG21 THR 29 HG21 THR 29 -14.417 10.212 7.469 414 HG21 THR 29 HG21 THR 29 -13.682 8.405 6.542 415 HG22 THR 29 HG22 THR 29 -13.913 10.946 8.992 416 HG22 THR 29 HG22 THR 29 -13.126 8.068 8.182 417 HG23 THR 29 HG23 THR 29 -13.672 9.220 8.724 418 HG23 THR 29 HG23 THR 29 -12.499 7.130 6.827 419 H ASN 30 H ASN 30 -11.499 12.055 4.307 420 H ASN 30 H ASN 30 -11.187 11.607 4.774 421 HA ASN 30 HA ASN 30 -9.441 12.334 3.341 422 HA ASN 30 HA ASN 30 -9.566 13.149 4.357 423 HB2 ASN 30 HB2 ASN 30 -10.121 14.555 4.666 424 HB2 ASN 30 HB2 ASN 30 -10.941 14.222 6.438 425 HB3 ASN 30 HB3 ASN 30 -8.646 14.169 5.545 426 HB3 ASN 30 HB3 ASN 30 -9.331 14.102 7.142 427 HD21 ASN 30 HD21 ASN 30 -6.990 13.204 3.688 428 HD21 ASN 30 HD21 ASN 30 -7.764 14.555 4.927 429 HD22 ASN 30 HD22 ASN 30 -6.672 14.386 2.468 430 HD22 ASN 30 HD22 ASN 30 -7.998 16.178 4.386 431 H ALA 31 H ALA 31 -9.580 10.163 5.259 432 H ALA 31 H ALA 31 -8.871 10.488 5.104 433 HA ALA 31 HA ALA 31 -6.979 10.203 6.576 434 HA ALA 31 HA ALA 31 -6.096 10.941 5.814 435 HB1 ALA 31 HB1 ALA 31 -9.334 8.353 6.693 436 HB1 ALA 31 HB1 ALA 31 -5.993 9.755 7.763 437 HB2 ALA 31 HB2 ALA 31 -7.767 7.887 7.356 438 HB2 ALA 31 HB2 ALA 31 -7.605 10.454 7.922 439 HB3 ALA 31 HB3 ALA 31 -8.606 9.305 7.985 440 HB3 ALA 31 HB3 ALA 31 -7.416 8.786 7.381 441 H SER 32 H SER 32 -5.306 8.789 6.105 442 H SER 32 H SER 32 -4.722 9.405 4.988 443 HA SER 32 HA SER 32 -5.589 7.211 3.635 444 HA SER 32 HA SER 32 -5.960 7.456 3.184 445 HB2 SER 32 HB2 SER 32 -3.818 8.212 2.641 446 HB2 SER 32 HB2 SER 32 -3.299 7.377 2.586 447 HB3 SER 32 HB3 SER 32 -4.134 9.522 3.777 448 HB3 SER 32 HB3 SER 32 -4.459 8.452 1.809 449 HG SER 32 HG SER 32 -2.132 7.577 3.804 450 HG SER 32 HG SER 32 -3.592 10.101 2.798 451 H GLN 33 H GLN 33 -4.632 5.227 3.612 452 H GLN 33 H GLN 33 -4.988 5.319 2.985 453 HA GLN 33 HA GLN 33 -2.687 4.429 5.558 454 HA GLN 33 HA GLN 33 -3.343 4.355 5.154 455 HB2 GLN 33 HB2 GLN 33 -3.959 2.880 6.813 456 HB2 GLN 33 HB2 GLN 33 -6.109 4.302 5.504 457 HB3 GLN 33 HB3 GLN 33 -4.901 4.367 6.804 458 HB3 GLN 33 HB3 GLN 33 -5.698 2.665 5.008 459 HG2 GLN 33 HG2 GLN 33 -5.946 3.156 4.652 460 HG2 GLN 33 HG2 GLN 33 -3.802 2.996 6.832 461 HG3 GLN 33 HG3 GLN 33 -5.480 1.742 5.599 462 HG3 GLN 33 HG3 GLN 33 -4.982 4.140 7.471 463 HE21 GLN 33 HE21 GLN 33 -7.038 0.997 6.827 464 HE21 GLN 33 HE21 GLN 33 -7.317 3.135 7.326 465 HE22 GLN 33 HE22 GLN 33 -8.284 1.928 7.579 466 HE22 GLN 33 HE22 GLN 33 -7.451 1.564 8.030 467 H PHE 34 H PHE 34 -2.106 2.105 5.316 468 H PHE 34 H PHE 34 -2.189 2.592 4.578 469 HA PHE 34 HA PHE 34 -2.575 1.233 2.542 470 HA PHE 34 HA PHE 34 -2.271 1.760 1.844 471 HB2 PHE 34 HB2 PHE 34 -0.210 0.316 4.133 472 HB2 PHE 34 HB2 PHE 34 -0.647 0.824 4.212 473 HB3 PHE 34 HB3 PHE 34 -0.380 0.492 2.389 474 HB3 PHE 34 HB3 PHE 34 -0.454 0.164 2.590 475 HD1 PHE 34 HD1 PHE 34 -0.481 2.839 1.432 476 HD1 PHE 34 HD1 PHE 34 -0.242 2.125 0.735 477 HD2 PHE 34 HD2 PHE 34 0.765 1.997 5.414 478 HD2 PHE 34 HD2 PHE 34 0.870 2.416 4.832 479 HE1 PHE 34 HE1 PHE 34 0.632 5.031 1.542 480 HE1 PHE 34 HE1 PHE 34 1.319 3.945 0.179 481 HE2 PHE 34 HE2 PHE 34 1.882 4.188 5.531 482 HE2 PHE 34 HE2 PHE 34 2.431 4.236 4.286 483 HZ PHE 34 HZ PHE 34 1.815 5.708 3.595 484 HZ PHE 34 HZ PHE 34 2.657 5.003 1.956 485 H GLU 35 H GLU 35 -4.470 0.495 4.334 486 H GLU 35 H GLU 35 -3.265 0.361 4.915 487 HA GLU 35 HA GLU 35 -4.101 -2.391 4.416 488 HA GLU 35 HA GLU 35 -3.975 -2.171 3.717 489 HB2 GLU 35 HB2 GLU 35 -4.385 -0.656 6.816 490 HB2 GLU 35 HB2 GLU 35 -4.747 -1.218 6.469 491 HB3 GLU 35 HB3 GLU 35 -5.273 -2.173 6.806 492 HB3 GLU 35 HB3 GLU 35 -4.578 -2.874 5.902 493 HG2 GLU 35 HG2 GLU 35 -3.308 -2.781 7.820 494 HG2 GLU 35 HG2 GLU 35 -2.633 -2.698 7.039 495 HG3 GLU 35 HG3 GLU 35 -2.993 -3.209 6.140 496 HG3 GLU 35 HG3 GLU 35 -2.088 -2.083 5.479 497 H ARG 36 H ARG 36 -6.031 -3.564 4.374 498 H ARG 36 H ARG 36 -6.163 -3.058 3.875 499 HA ARG 36 HA ARG 36 -8.144 -2.515 2.954 500 HA ARG 36 HA ARG 36 -8.108 -1.096 2.993 501 HB2 ARG 36 HB2 ARG 36 -7.600 -4.961 3.408 502 HB2 ARG 36 HB2 ARG 36 -7.779 -3.270 1.808 503 HB3 ARG 36 HB3 ARG 36 -8.453 -4.767 4.933 504 HB3 ARG 36 HB3 ARG 36 -8.408 -4.092 3.231 505 HG2 ARG 36 HG2 ARG 36 -10.061 -5.661 3.528 506 HG2 ARG 36 HG2 ARG 36 -10.433 -2.432 2.836 507 HG3 ARG 36 HG3 ARG 36 -10.412 -3.933 3.490 508 HG3 ARG 36 HG3 ARG 36 -9.823 -2.487 1.182 509 HD2 ARG 36 HD2 ARG 36 -9.679 -3.691 1.337 510 HD2 ARG 36 HD2 ARG 36 -10.255 -4.748 0.959 511 HD3 ARG 36 HD3 ARG 36 -8.532 -5.025 1.463 512 HD3 ARG 36 HD3 ARG 36 -10.222 -5.027 2.699 513 HE ARG 36 HE ARG 36 -10.144 -6.394 0.627 514 HE ARG 36 HE ARG 36 -12.381 -3.450 2.407 515 HH11 ARG 36 HH11 ARG 36 -11.691 -3.607 2.027 516 HH11 ARG 36 HH11 ARG 36 -11.351 -6.352 0.782 517 HH12 ARG 36 HH12 ARG 36 -13.282 -4.076 1.527 518 HH12 ARG 36 HH12 ARG 36 -12.965 -6.895 0.456 519 HH21 ARG 36 HH21 ARG 36 -12.234 -7.022 -0.037 520 HH21 ARG 36 HH21 ARG 36 -14.506 -4.155 1.983 521 HH22 ARG 36 HH22 ARG 36 -13.591 -6.019 0.353 522 HH22 ARG 36 HH22 ARG 36 -14.758 -5.645 1.137 523 HA PRO 37 HA PRO 37 -9.925 0.049 6.188 524 HA PRO 37 HA PRO 37 -9.707 -0.862 7.176 525 HB2 PRO 37 HB2 PRO 37 -11.662 1.326 4.537 526 HB2 PRO 37 HB2 PRO 37 -11.481 1.123 6.642 527 HB3 PRO 37 HB3 PRO 37 -9.951 1.755 4.649 528 HB3 PRO 37 HB3 PRO 37 -9.755 1.417 6.888 529 HG2 PRO 37 HG2 PRO 37 -11.350 0.068 2.611 530 HG2 PRO 37 HG2 PRO 37 -11.294 1.191 4.329 531 HG3 PRO 37 HG3 PRO 37 -10.109 1.313 2.372 532 HG3 PRO 37 HG3 PRO 37 -10.030 2.353 4.776 533 HD2 PRO 37 HD2 PRO 37 -9.541 -1.334 2.351 534 HD2 PRO 37 HD2 PRO 37 -9.539 0.192 3.219 535 HD3 PRO 37 HD3 PRO 37 -8.389 -0.117 2.935 536 HD3 PRO 37 HD3 PRO 37 -8.327 0.863 4.331 537 H SER 38 H SER 38 -11.766 -0.116 7.395 538 H SER 38 H SER 38 -11.541 -1.613 8.182 539 HA SER 38 HA SER 38 -13.822 -1.988 6.415 540 HA SER 38 HA SER 38 -13.252 -3.313 6.672 541 HB2 SER 38 HB2 SER 38 -12.421 -2.820 8.330 542 HB2 SER 38 HB2 SER 38 -14.399 -3.692 8.850 543 HB3 SER 38 HB3 SER 38 -13.071 -1.501 9.306 544 HB3 SER 38 HB3 SER 38 -12.651 -3.901 8.953 545 HG SER 38 HG SER 38 -14.404 -3.740 8.230 546 HG SER 38 HG SER 38 -13.634 -2.619 10.665 547 H GLY 39 H GLY 39 -15.947 -1.694 7.710 548 H GLY 39 H GLY 39 -14.241 -0.708 8.897 549 HA2 GLY 39 HA2 GLY 39 -16.686 1.112 7.421 550 HA2 GLY 39 HA2 GLY 39 -15.548 1.180 8.086 551 HA3 GLY 39 HA3 GLY 39 -17.791 -0.245 7.585 552 HA3 GLY 39 HA3 GLY 39 -16.252 0.099 6.893 Start of MODEL 17 1 H1 SER 5 H SER 5 -10.193 -5.684 -6.224 2 H1 SER 5 H SER 5 -10.219 -6.963 -6.973 3 HA SER 5 HA SER 5 -8.692 -5.170 -3.739 4 HA SER 5 HA SER 5 -9.058 -6.567 -5.042 5 HB2 SER 5 HB2 SER 5 -9.837 -2.739 -4.427 6 HB2 SER 5 HB2 SER 5 -9.662 -3.715 -4.911 7 HB3 SER 5 HB3 SER 5 -8.145 -3.183 -4.646 8 HB3 SER 5 HB3 SER 5 -8.122 -4.526 -5.198 9 HG SER 5 HG SER 5 -10.240 -3.480 -6.538 10 HG SER 5 HG SER 5 -9.917 -3.467 -6.989 11 H LYS 6 H LYS 6 -11.671 -3.829 -5.141 12 H LYS 6 H LYS 6 -12.232 -5.048 -5.127 13 HA LYS 6 HA LYS 6 -13.804 -3.700 -4.360 14 HA LYS 6 HA LYS 6 -13.873 -4.874 -3.561 15 HB2 LYS 6 HB2 LYS 6 -13.171 -6.001 -2.520 16 HB2 LYS 6 HB2 LYS 6 -12.230 -6.645 -1.760 17 HB3 LYS 6 HB3 LYS 6 -14.729 -5.552 -3.204 18 HB3 LYS 6 HB3 LYS 6 -13.976 -6.445 -1.782 19 HG2 LYS 6 HG2 LYS 6 -14.009 -6.236 -5.403 20 HG2 LYS 6 HG2 LYS 6 -13.335 -7.329 -4.339 21 HG3 LYS 6 HG3 LYS 6 -12.387 -6.575 -4.796 22 HG3 LYS 6 HG3 LYS 6 -12.312 -8.278 -3.258 23 HD2 LYS 6 HD2 LYS 6 -13.006 -8.630 -4.220 24 HD2 LYS 6 HD2 LYS 6 -14.099 -9.588 -2.964 25 HD3 LYS 6 HD3 LYS 6 -14.284 -7.978 -3.192 26 HD3 LYS 6 HD3 LYS 6 -14.750 -8.280 -1.975 27 HE2 LYS 6 HE2 LYS 6 -15.658 -9.058 -4.604 28 HE2 LYS 6 HE2 LYS 6 -16.466 -8.684 -3.480 29 HE3 LYS 6 HE3 LYS 6 -15.383 -7.669 -5.655 30 HE3 LYS 6 HE3 LYS 6 -15.612 -7.332 -4.222 31 HZ1 LYS 6 HZ1 LYS 6 -14.932 -10.226 -6.346 32 HZ1 LYS 6 HZ1 LYS 6 -14.837 -10.065 -4.956 33 HZ2 LYS 6 HZ2 LYS 6 -13.385 -9.738 -5.871 34 HZ2 LYS 6 HZ2 LYS 6 -14.779 -8.646 -5.877 35 HZ3 LYS 6 HZ3 LYS 6 -14.203 -8.892 -7.086 36 HZ3 LYS 6 HZ3 LYS 6 -16.258 -9.424 -5.614 37 H LEU 7 H LEU 7 -14.017 -1.851 -3.253 38 H LEU 7 H LEU 7 -14.372 -3.424 -1.979 39 HA LEU 7 HA LEU 7 -13.253 -1.863 -0.407 40 HA LEU 7 HA LEU 7 -12.649 -2.643 0.112 41 HB2 LEU 7 HB2 LEU 7 -12.970 0.227 -2.514 42 HB2 LEU 7 HB2 LEU 7 -11.883 -0.523 -0.597 43 HB3 LEU 7 HB3 LEU 7 -13.241 0.729 -0.845 44 HB3 LEU 7 HB3 LEU 7 -11.445 -1.672 -1.858 45 HG LEU 7 HG LEU 7 -11.191 -0.248 -0.131 46 HG LEU 7 HG LEU 7 -13.948 -0.591 -2.580 47 HD11 LEU 7 HD11 LEU 7 -11.291 -1.614 -2.778 48 HD11 LEU 7 HD11 LEU 7 -13.136 1.197 -0.875 49 HD12 LEU 7 HD12 LEU 7 -10.934 -2.271 -1.182 50 HD12 LEU 7 HD12 LEU 7 -13.779 1.703 -2.439 51 HD13 LEU 7 HD13 LEU 7 -9.728 -1.298 -2.025 52 HD13 LEU 7 HD13 LEU 7 -12.036 1.666 -2.173 53 HD21 LEU 7 HD21 LEU 7 -9.682 0.762 -2.159 54 HD21 LEU 7 HD21 LEU 7 -12.235 -1.376 -4.113 55 HD22 LEU 7 HD22 LEU 7 -10.410 1.721 -0.869 56 HD22 LEU 7 HD22 LEU 7 -11.166 -0.063 -3.620 57 HD23 LEU 7 HD23 LEU 7 -11.224 1.575 -2.428 58 HD23 LEU 7 HD23 LEU 7 -12.665 0.296 -4.474 59 HA PRO 8 HA PRO 8 -17.401 -0.916 0.663 60 HA PRO 8 HA PRO 8 -16.397 -0.927 1.619 61 HB2 PRO 8 HB2 PRO 8 -17.059 0.742 2.785 62 HB2 PRO 8 HB2 PRO 8 -15.478 1.023 3.269 63 HB3 PRO 8 HB3 PRO 8 -16.738 -0.994 2.861 64 HB3 PRO 8 HB3 PRO 8 -15.345 -0.700 3.649 65 HG2 PRO 8 HG2 PRO 8 -14.819 1.275 2.500 66 HG2 PRO 8 HG2 PRO 8 -13.284 1.156 2.521 67 HG3 PRO 8 HG3 PRO 8 -14.665 -0.169 3.520 68 HG3 PRO 8 HG3 PRO 8 -13.107 -0.083 3.778 69 HD2 PRO 8 HD2 PRO 8 -13.444 0.050 1.113 70 HD2 PRO 8 HD2 PRO 8 -12.342 -0.489 1.212 71 HD3 PRO 8 HD3 PRO 8 -14.018 -1.502 1.753 72 HD3 PRO 8 HD3 PRO 8 -12.958 -1.796 2.245 73 HA PRO 9 HA PRO 9 -18.835 2.908 -0.967 74 HA PRO 9 HA PRO 9 -17.605 2.612 -0.697 75 HB2 PRO 9 HB2 PRO 9 -20.827 3.628 0.733 76 HB2 PRO 9 HB2 PRO 9 -19.528 3.671 0.901 77 HB3 PRO 9 HB3 PRO 9 -20.971 2.277 -0.397 78 HB3 PRO 9 HB3 PRO 9 -19.757 2.179 -0.021 79 HG2 PRO 9 HG2 PRO 9 -20.323 2.241 2.524 80 HG2 PRO 9 HG2 PRO 9 -19.060 2.533 2.869 81 HG3 PRO 9 HG3 PRO 9 -21.403 1.177 1.604 82 HG3 PRO 9 HG3 PRO 9 -20.208 1.405 2.125 83 HD2 PRO 9 HD2 PRO 9 -18.894 0.446 2.309 84 HD2 PRO 9 HD2 PRO 9 -17.724 0.656 2.901 85 HD3 PRO 9 HD3 PRO 9 -19.666 -0.112 0.812 86 HD3 PRO 9 HD3 PRO 9 -18.550 -0.074 1.509 87 H GLY 10 H GLY 10 -17.635 4.704 -0.940 88 H GLY 10 H GLY 10 -17.239 4.804 -0.907 89 HA2 GLY 10 HA2 GLY 10 -17.530 6.938 0.124 90 HA2 GLY 10 HA2 GLY 10 -16.751 6.984 -0.161 91 HA3 GLY 10 HA3 GLY 10 -17.285 6.095 1.646 92 HA3 GLY 10 HA3 GLY 10 -16.429 6.339 1.443 93 H TRP 11 H TRP 11 -15.538 4.127 0.096 94 H TRP 11 H TRP 11 -14.613 4.306 0.716 95 HA TRP 11 HA TRP 11 -13.101 5.738 0.311 96 HA TRP 11 HA TRP 11 -12.235 5.897 0.430 97 HB2 TRP 11 HB2 TRP 11 -13.706 2.820 0.571 98 HB2 TRP 11 HB2 TRP 11 -12.512 2.889 0.607 99 HB3 TRP 11 HB3 TRP 11 -12.077 3.317 0.124 100 HB3 TRP 11 HB3 TRP 11 -11.030 3.816 0.829 101 HD1 TRP 11 HD1 TRP 11 -14.541 3.402 3.046 102 HD1 TRP 11 HD1 TRP 11 -14.386 3.098 2.570 103 HE1 TRP 11 HE1 TRP 11 -13.259 4.024 5.188 104 HE1 TRP 11 HE1 TRP 11 -14.129 3.639 5.074 105 HE3 TRP 11 HE3 TRP 11 -10.017 4.575 0.973 106 HE3 TRP 11 HE3 TRP 11 -9.701 5.147 2.485 107 HZ2 TRP 11 HZ2 TRP 11 -10.672 4.897 5.906 108 HZ2 TRP 11 HZ2 TRP 11 -12.198 4.781 6.787 109 HZ3 TRP 11 HZ3 TRP 11 -8.192 5.296 2.457 110 HZ3 TRP 11 HZ3 TRP 11 -8.722 5.939 4.598 111 HH2 TRP 11 HH2 TRP 11 -8.515 5.453 4.873 112 HH2 TRP 11 HH2 TRP 11 -9.947 5.759 6.703 113 H GLU 12 H GLU 12 -11.430 5.563 -1.275 114 H GLU 12 H GLU 12 -10.743 5.857 -1.232 115 HA GLU 12 HA GLU 12 -12.349 4.631 -3.913 116 HA GLU 12 HA GLU 12 -11.666 4.595 -3.730 117 HB2 GLU 12 HB2 GLU 12 -12.510 7.110 -3.716 118 HB2 GLU 12 HB2 GLU 12 -9.901 7.030 -3.597 119 HB3 GLU 12 HB3 GLU 12 -10.782 7.165 -3.401 120 HB3 GLU 12 HB3 GLU 12 -10.812 6.419 -4.971 121 HG2 GLU 12 HG2 GLU 12 -10.391 6.130 -5.614 122 HG2 GLU 12 HG2 GLU 12 -12.845 6.876 -3.320 123 HG3 GLU 12 HG3 GLU 12 -12.123 6.228 -5.925 124 HG3 GLU 12 HG3 GLU 12 -11.704 8.058 -2.679 125 H LYS 13 H LYS 13 -11.045 3.122 -4.682 126 H LYS 13 H LYS 13 -10.174 3.559 -5.032 127 HA LYS 13 HA LYS 13 -8.440 2.671 -3.548 128 HA LYS 13 HA LYS 13 -7.621 2.931 -3.722 129 HB2 LYS 13 HB2 LYS 13 -9.817 0.768 -4.146 130 HB2 LYS 13 HB2 LYS 13 -8.997 0.986 -4.114 131 HB3 LYS 13 HB3 LYS 13 -9.908 1.316 -5.816 132 HB3 LYS 13 HB3 LYS 13 -9.213 1.427 -5.804 133 HG2 LYS 13 HG2 LYS 13 -7.186 0.921 -4.789 134 HG2 LYS 13 HG2 LYS 13 -6.740 1.153 -6.095 135 HG3 LYS 13 HG3 LYS 13 -8.170 -0.541 -4.902 136 HG3 LYS 13 HG3 LYS 13 -6.692 0.486 -4.461 137 HD2 LYS 13 HD2 LYS 13 -8.679 0.040 -7.259 138 HD2 LYS 13 HD2 LYS 13 -7.619 -1.471 -5.097 139 HD3 LYS 13 HD3 LYS 13 -7.584 1.418 -7.123 140 HD3 LYS 13 HD3 LYS 13 -8.713 -0.696 -6.244 141 HE2 LYS 13 HE2 LYS 13 -5.974 -0.555 -6.247 142 HE2 LYS 13 HE2 LYS 13 -7.400 -1.437 -7.877 143 HE3 LYS 13 HE3 LYS 13 -6.995 -1.464 -7.362 144 HE3 LYS 13 HE3 LYS 13 -6.157 -0.327 -7.302 145 HZ1 LYS 13 HZ1 LYS 13 -4.930 -0.471 -8.342 146 HZ1 LYS 13 HZ1 LYS 13 -5.842 -2.383 -5.629 147 HZ2 LYS 13 HZ2 LYS 13 -5.628 1.054 -8.120 148 HZ2 LYS 13 HZ2 LYS 13 -4.977 -2.202 -7.070 149 HZ3 LYS 13 HZ3 LYS 13 -6.366 -0.073 -9.142 150 HZ3 LYS 13 HZ3 LYS 13 -6.341 -3.201 -7.023 151 H ARG 14 H ARG 14 -6.721 3.805 -4.145 152 H ARG 14 H ARG 14 -5.840 3.812 -4.523 153 HA ARG 14 HA ARG 14 -6.533 4.720 -6.938 154 HA ARG 14 HA ARG 14 -5.721 4.400 -7.403 155 HB2 ARG 14 HB2 ARG 14 -5.212 5.853 -4.464 156 HB2 ARG 14 HB2 ARG 14 -4.370 6.207 -5.434 157 HB3 ARG 14 HB3 ARG 14 -5.004 6.464 -6.100 158 HB3 ARG 14 HB3 ARG 14 -4.881 6.541 -7.083 159 HG2 ARG 14 HG2 ARG 14 -7.772 6.389 -5.639 160 HG2 ARG 14 HG2 ARG 14 -7.257 6.027 -5.839 161 HG3 ARG 14 HG3 ARG 14 -7.039 7.069 -4.186 162 HG3 ARG 14 HG3 ARG 14 -6.331 6.832 -4.571 163 HD2 ARG 14 HD2 ARG 14 -6.021 8.816 -5.392 164 HD2 ARG 14 HD2 ARG 14 -6.883 7.864 -7.349 165 HD3 ARG 14 HD3 ARG 14 -6.308 8.020 -6.938 166 HD3 ARG 14 HD3 ARG 14 -7.561 8.476 -5.840 167 HE ARG 14 HE ARG 14 -8.699 8.709 -5.480 168 HE ARG 14 HE ARG 14 -4.688 8.552 -5.939 169 HH11 ARG 14 HH11 ARG 14 -6.330 9.748 -7.811 170 HH11 ARG 14 HH11 ARG 14 -7.630 10.236 -6.730 171 HH12 ARG 14 HH12 ARG 14 -7.375 10.921 -8.542 172 HH12 ARG 14 HH12 ARG 14 -6.885 11.801 -6.742 173 HH21 ARG 14 HH21 ARG 14 -10.084 10.249 -6.436 174 HH21 ARG 14 HH21 ARG 14 -3.695 10.605 -5.952 175 HH22 ARG 14 HH22 ARG 14 -9.509 11.207 -7.760 176 HH22 ARG 14 HH22 ARG 14 -4.646 12.009 -6.301 177 H MET 15 H MET 15 -4.256 4.923 -7.755 178 H MET 15 H MET 15 -3.672 4.248 -8.364 179 HA MET 15 HA MET 15 -2.475 2.873 -6.643 180 HA MET 15 HA MET 15 -1.621 2.943 -6.696 181 HB2 MET 15 HB2 MET 15 -3.975 2.286 -8.791 182 HB2 MET 15 HB2 MET 15 -2.971 1.663 -8.629 183 HB3 MET 15 HB3 MET 15 -2.620 3.060 -9.601 184 HB3 MET 15 HB3 MET 15 -1.693 2.371 -9.608 185 HG2 MET 15 HG2 MET 15 -1.658 1.205 -7.640 186 HG2 MET 15 HG2 MET 15 -0.267 0.815 -8.957 187 HG3 MET 15 HG3 MET 15 -2.813 0.414 -8.710 188 HG3 MET 15 HG3 MET 15 -0.550 1.211 -7.262 189 HE1 MET 15 HE1 MET 15 -1.991 -0.974 -10.010 190 HE1 MET 15 HE1 MET 15 -3.123 -1.192 -9.918 191 HE2 MET 15 HE2 MET 15 -1.013 -0.670 -11.444 192 HE2 MET 15 HE2 MET 15 -1.569 -0.464 -10.324 193 HE3 MET 15 HE3 MET 15 -0.240 -1.180 -9.943 194 HE3 MET 15 HE3 MET 15 -1.644 -2.146 -9.798 195 H SER 16 H SER 16 -0.350 3.388 -6.671 196 H SER 16 H SER 16 0.229 4.020 -6.578 197 HA SER 16 HA SER 16 0.347 6.078 -7.495 198 HA SER 16 HA SER 16 0.696 6.387 -8.072 199 HB2 SER 16 HB2 SER 16 1.199 4.344 -5.453 200 HB2 SER 16 HB2 SER 16 3.055 5.203 -6.791 201 HB3 SER 16 HB3 SER 16 2.588 4.537 -6.523 202 HB3 SER 16 HB3 SER 16 2.307 6.779 -6.537 203 HG SER 16 HG SER 16 1.750 6.221 -4.706 204 HG SER 16 HG SER 16 2.229 4.801 -4.895 205 H ARG 17 H ARG 17 1.898 6.631 -9.009 206 H ARG 17 H ARG 17 2.194 6.819 -9.682 207 HA ARG 17 HA ARG 17 2.130 4.929 -11.259 208 HA ARG 17 HA ARG 17 2.862 4.539 -11.356 209 HB2 ARG 17 HB2 ARG 17 2.132 7.351 -11.497 210 HB2 ARG 17 HB2 ARG 17 3.417 6.193 -13.057 211 HB3 ARG 17 HB3 ARG 17 3.614 7.466 -10.558 212 HB3 ARG 17 HB3 ARG 17 1.835 6.530 -12.369 213 HG2 ARG 17 HG2 ARG 17 4.632 5.967 -12.390 214 HG2 ARG 17 HG2 ARG 17 2.476 8.513 -11.546 215 HG3 ARG 17 HG3 ARG 17 3.222 6.445 -13.340 216 HG3 ARG 17 HG3 ARG 17 4.059 7.909 -11.049 217 HD2 ARG 17 HD2 ARG 17 4.448 8.725 -12.059 218 HD2 ARG 17 HD2 ARG 17 3.228 8.681 -13.845 219 HD3 ARG 17 HD3 ARG 17 5.613 7.847 -13.049 220 HD3 ARG 17 HD3 ARG 17 4.293 9.598 -12.780 221 HE ARG 17 HE ARG 17 3.340 9.360 -13.969 222 HE ARG 17 HE ARG 17 5.554 7.234 -12.952 223 HH11 ARG 17 HH11 ARG 17 5.642 6.862 -14.726 224 HH11 ARG 17 HH11 ARG 17 4.232 9.366 -15.366 225 HH12 ARG 17 HH12 ARG 17 5.469 7.040 -16.442 226 HH12 ARG 17 HH12 ARG 17 5.383 8.917 -16.580 227 HH21 ARG 17 HH21 ARG 17 3.102 9.605 -16.225 228 HH21 ARG 17 HH21 ARG 17 7.076 6.634 -14.543 229 HH22 ARG 17 HH22 ARG 17 4.025 8.602 -17.293 230 HH22 ARG 17 HH22 ARG 17 7.000 7.362 -16.112 231 H ASN 18 H ASN 18 4.892 6.397 -9.574 232 H ASN 18 H ASN 18 4.342 4.339 -9.131 233 HA ASN 18 HA ASN 18 6.575 4.178 -10.292 234 HA ASN 18 HA ASN 18 7.039 4.879 -10.123 235 HB2 ASN 18 HB2 ASN 18 8.292 5.470 -8.922 236 HB2 ASN 18 HB2 ASN 18 5.886 6.361 -8.032 237 HB3 ASN 18 HB3 ASN 18 7.629 6.303 -10.325 238 HB3 ASN 18 HB3 ASN 18 6.977 5.217 -7.255 239 HD21 ASN 18 HD21 ASN 18 7.992 8.346 -9.578 240 HD21 ASN 18 HD21 ASN 18 6.930 8.228 -8.003 241 HD22 ASN 18 HD22 ASN 18 7.152 9.027 -8.230 242 HD22 ASN 18 HD22 ASN 18 8.528 8.492 -8.601 243 H SER 19 H SER 19 7.936 3.063 -8.663 244 H SER 19 H SER 19 5.259 3.426 -7.394 245 HA SER 19 HA SER 19 8.258 1.867 -6.740 246 HA SER 19 HA SER 19 6.793 0.956 -7.818 247 HB2 SER 19 HB2 SER 19 6.867 4.165 -5.829 248 HB2 SER 19 HB2 SER 19 6.924 2.690 -5.519 249 HB3 SER 19 HB3 SER 19 6.117 2.768 -5.057 250 HB3 SER 19 HB3 SER 19 6.281 1.117 -5.051 251 HG SER 19 HG SER 19 8.896 3.356 -5.076 252 HG SER 19 HG SER 19 8.723 1.558 -5.205 253 H GLY 20 H GLY 20 4.843 2.456 -7.524 254 H GLY 20 H GLY 20 4.012 1.926 -8.432 255 HA2 GLY 20 HA2 GLY 20 3.194 0.928 -8.061 256 HA2 GLY 20 HA2 GLY 20 1.844 1.166 -8.311 257 HA3 GLY 20 HA3 GLY 20 4.387 -0.355 -7.914 258 HA3 GLY 20 HA3 GLY 20 2.599 -0.411 -8.145 259 H ARG 21 H ARG 21 3.036 2.043 -5.646 260 H ARG 21 H ARG 21 3.007 2.139 -5.785 261 HA ARG 21 HA ARG 21 2.434 -0.194 -3.823 262 HA ARG 21 HA ARG 21 2.160 0.461 -3.659 263 HB2 ARG 21 HB2 ARG 21 3.802 2.339 -3.406 264 HB2 ARG 21 HB2 ARG 21 3.276 3.142 -3.965 265 HB3 ARG 21 HB3 ARG 21 2.457 2.130 -2.292 266 HB3 ARG 21 HB3 ARG 21 2.111 3.037 -2.651 267 HG2 ARG 21 HG2 ARG 21 3.503 0.525 -1.133 268 HG2 ARG 21 HG2 ARG 21 3.565 1.993 -1.347 269 HG3 ARG 21 HG3 ARG 21 4.168 -0.228 -2.584 270 HG3 ARG 21 HG3 ARG 21 3.916 0.796 -2.596 271 HD2 ARG 21 HD2 ARG 21 5.994 0.601 -1.291 272 HD2 ARG 21 HD2 ARG 21 5.917 2.058 -1.916 273 HD3 ARG 21 HD3 ARG 21 5.817 1.643 -2.700 274 HD3 ARG 21 HD3 ARG 21 5.524 2.288 -3.620 275 HE ARG 21 HE ARG 21 5.146 2.339 0.066 276 HE ARG 21 HE ARG 21 5.145 4.265 -1.481 277 HH11 ARG 21 HH11 ARG 21 5.492 3.251 -3.277 278 HH11 ARG 21 HH11 ARG 21 5.245 3.426 -4.857 279 HH12 ARG 21 HH12 ARG 21 5.423 4.950 -2.957 280 HH12 ARG 21 HH12 ARG 21 5.225 5.072 -5.401 281 HH21 ARG 21 HH21 ARG 21 5.055 4.576 0.501 282 HH21 ARG 21 HH21 ARG 21 5.119 6.436 -2.183 283 HH22 ARG 21 HH22 ARG 21 5.176 5.705 -0.808 284 HH22 ARG 21 HH22 ARG 21 5.155 6.783 -3.878 285 H VAL 22 H VAL 22 0.390 -0.463 -3.175 286 H VAL 22 H VAL 22 0.044 -0.190 -4.058 287 HA VAL 22 HA VAL 22 -1.666 1.220 -4.293 288 HA VAL 22 HA VAL 22 -2.062 1.709 -4.512 289 HB VAL 22 HB VAL 22 -1.894 -1.167 -2.456 290 HB VAL 22 HB VAL 22 -1.937 -0.821 -5.180 291 HG11 VAL 22 HG11 VAL 22 -4.242 -1.225 -3.145 292 HG11 VAL 22 HG11 VAL 22 -1.780 -1.352 -2.629 293 HG12 VAL 22 HG12 VAL 22 -3.852 0.280 -2.310 294 HG12 VAL 22 HG12 VAL 22 -3.536 -1.187 -2.685 295 HG13 VAL 22 HG13 VAL 22 -4.008 0.261 -4.066 296 HG13 VAL 22 HG13 VAL 22 -2.730 -2.391 -3.692 297 HG21 VAL 22 HG21 VAL 22 -2.088 -2.520 -4.301 298 HG21 VAL 22 HG21 VAL 22 -3.763 0.727 -5.727 299 HG22 VAL 22 HG22 VAL 22 -2.613 -1.201 -5.349 300 HG22 VAL 22 HG22 VAL 22 -4.363 -0.886 -5.343 301 HG23 VAL 22 HG23 VAL 22 -0.918 -1.337 -4.885 302 HG23 VAL 22 HG23 VAL 22 -4.493 0.409 -4.153 303 H TYR 23 H TYR 23 -2.975 2.639 -3.251 304 H TYR 23 H TYR 23 -3.632 2.409 -3.098 305 HA TYR 23 HA TYR 23 -2.815 2.880 -0.347 306 HA TYR 23 HA TYR 23 -3.644 1.512 -0.348 307 HB2 TYR 23 HB2 TYR 23 -2.267 5.215 -0.374 308 HB2 TYR 23 HB2 TYR 23 -3.254 3.751 0.594 309 HB3 TYR 23 HB3 TYR 23 -1.057 4.373 -1.332 310 HB3 TYR 23 HB3 TYR 23 -1.851 3.172 -0.297 311 HD1 TYR 23 HD1 TYR 23 -1.074 4.563 -3.798 312 HD1 TYR 23 HD1 TYR 23 -1.395 4.088 -2.587 313 HD2 TYR 23 HD2 TYR 23 -3.737 6.824 -1.368 314 HD2 TYR 23 HD2 TYR 23 -4.360 5.750 -0.028 315 HE1 TYR 23 HE1 TYR 23 -1.523 6.063 -5.693 316 HE1 TYR 23 HE1 TYR 23 -1.398 6.144 -3.937 317 HE2 TYR 23 HE2 TYR 23 -4.195 8.327 -3.258 318 HE2 TYR 23 HE2 TYR 23 -4.372 7.811 -1.371 319 HH TYR 23 HH TYR 23 -2.439 8.040 -6.301 320 HH TYR 23 HH TYR 23 -3.558 8.854 -3.150 321 H TYR 24 H TYR 24 -4.695 3.501 0.569 322 H TYR 24 H TYR 24 -5.237 3.064 0.923 323 HA TYR 24 HA TYR 24 -6.917 4.112 -1.255 324 HA TYR 24 HA TYR 24 -7.530 3.608 -0.847 325 HB2 TYR 24 HB2 TYR 24 -7.092 3.163 1.609 326 HB2 TYR 24 HB2 TYR 24 -7.597 2.455 1.950 327 HB3 TYR 24 HB3 TYR 24 -8.398 3.243 0.431 328 HB3 TYR 24 HB3 TYR 24 -9.008 2.861 0.980 329 HD1 TYR 24 HD1 TYR 24 -6.493 1.000 2.106 330 HD1 TYR 24 HD1 TYR 24 -9.683 1.464 -0.883 331 HD2 TYR 24 HD2 TYR 24 -7.542 1.957 -1.904 332 HD2 TYR 24 HD2 TYR 24 -6.240 0.502 1.423 333 HE1 TYR 24 HE1 TYR 24 -6.024 -1.320 1.437 334 HE1 TYR 24 HE1 TYR 24 -9.659 -0.789 -1.870 335 HE2 TYR 24 HE2 TYR 24 -7.075 -0.359 -2.586 336 HE2 TYR 24 HE2 TYR 24 -6.206 -1.753 0.442 337 HH TYR 24 HH TYR 24 -5.362 -2.335 -1.333 338 HH TYR 24 HH TYR 24 -7.038 -2.857 -1.666 339 H PHE 25 H PHE 25 -8.290 5.835 -0.881 340 H PHE 25 H PHE 25 -8.230 5.630 -0.792 341 HA PHE 25 HA PHE 25 -7.597 7.668 1.301 342 HA PHE 25 HA PHE 25 -7.729 7.232 1.630 343 HB2 PHE 25 HB2 PHE 25 -6.692 8.170 -1.192 344 HB2 PHE 25 HB2 PHE 25 -6.188 8.010 -0.039 345 HB3 PHE 25 HB3 PHE 25 -8.274 8.933 -1.290 346 HB3 PHE 25 HB3 PHE 25 -7.453 8.061 -1.263 347 HD1 PHE 25 HD1 PHE 25 -8.668 11.025 -0.312 348 HD1 PHE 25 HD1 PHE 25 -9.132 9.832 -1.241 349 HD2 PHE 25 HD2 PHE 25 -5.113 8.882 0.633 350 HD2 PHE 25 HD2 PHE 25 -5.936 9.765 1.569 351 HE1 PHE 25 HE1 PHE 25 -7.779 13.011 0.835 352 HE1 PHE 25 HE1 PHE 25 -9.577 12.187 -0.685 353 HE2 PHE 25 HE2 PHE 25 -4.220 10.867 1.782 354 HE2 PHE 25 HE2 PHE 25 -6.376 12.119 2.130 355 HZ PHE 25 HZ PHE 25 -5.554 12.934 1.886 356 HZ PHE 25 HZ PHE 25 -8.198 13.334 1.003 357 H ASN 26 H ASN 26 -9.343 8.236 2.410 358 H ASN 26 H ASN 26 -9.418 8.343 2.426 359 HA ASN 26 HA ASN 26 -11.977 7.679 1.314 360 HA ASN 26 HA ASN 26 -11.890 8.398 0.822 361 HB2 ASN 26 HB2 ASN 26 -11.289 7.010 3.654 362 HB2 ASN 26 HB2 ASN 26 -12.138 6.832 2.658 363 HB3 ASN 26 HB3 ASN 26 -11.305 8.721 4.070 364 HB3 ASN 26 HB3 ASN 26 -11.578 8.043 3.809 365 HD21 ASN 26 HD21 ASN 26 -12.890 6.912 5.385 366 HD21 ASN 26 HD21 ASN 26 -13.849 8.332 1.116 367 HD22 ASN 26 HD22 ASN 26 -14.548 7.208 4.997 368 HD22 ASN 26 HD22 ASN 26 -15.196 8.830 2.079 369 H HIS 27 H HIS 27 -13.159 9.177 0.345 370 H HIS 27 H HIS 27 -13.105 10.258 0.816 371 HA HIS 27 HA HIS 27 -12.371 11.944 0.380 372 HA HIS 27 HA HIS 27 -11.708 12.667 1.606 373 HB2 HIS 27 HB2 HIS 27 -14.154 12.277 -1.231 374 HB2 HIS 27 HB2 HIS 27 -13.671 13.799 0.481 375 HB3 HIS 27 HB3 HIS 27 -13.234 10.841 -1.667 376 HB3 HIS 27 HB3 HIS 27 -12.712 12.744 -0.555 377 HD1 HIS 27 HD1 HIS 27 -16.459 11.710 0.149 378 HD1 HIS 27 HD1 HIS 27 -13.792 10.290 -0.954 379 HD2 HIS 27 HD2 HIS 27 -14.770 8.654 -2.102 380 HD2 HIS 27 HD2 HIS 27 -16.332 13.230 0.516 381 HE1 HIS 27 HE1 HIS 27 -18.296 10.023 -0.177 382 HE1 HIS 27 HE1 HIS 27 -16.120 9.440 -1.380 383 H ILE 28 H ILE 28 -14.063 10.121 2.514 384 H ILE 28 H ILE 28 -14.321 10.710 2.737 385 HA ILE 28 HA ILE 28 -16.035 12.172 3.179 386 HA ILE 28 HA ILE 28 -15.551 12.725 4.365 387 HB ILE 28 HB ILE 28 -15.599 9.431 4.369 388 HB ILE 28 HB ILE 28 -15.804 9.717 4.411 389 HG12 ILE 28 HG12 ILE 28 -17.477 10.525 2.292 390 HG12 ILE 28 HG12 ILE 28 -17.556 11.908 3.285 391 HG13 ILE 28 HG13 ILE 28 -16.474 9.081 2.221 392 HG13 ILE 28 HG13 ILE 28 -16.671 10.693 2.370 393 HG21 ILE 28 HG21 ILE 28 -16.543 11.109 5.945 394 HG21 ILE 28 HG21 ILE 28 -17.786 10.078 5.814 395 HG22 ILE 28 HG22 ILE 28 -17.891 11.331 4.830 396 HG22 ILE 28 HG22 ILE 28 -16.309 10.627 6.606 397 HG23 ILE 28 HG23 ILE 28 -17.629 9.765 5.597 398 HG23 ILE 28 HG23 ILE 28 -17.412 11.799 5.885 399 HD11 ILE 28 HD11 ILE 28 -18.753 8.417 2.433 400 HD11 ILE 28 HD11 ILE 28 -19.083 10.314 4.110 401 HD12 ILE 28 HD12 ILE 28 -17.935 8.066 3.955 402 HD12 ILE 28 HD12 ILE 28 -18.910 9.994 2.384 403 HD13 ILE 28 HD13 ILE 28 -18.986 9.476 3.824 404 HD13 ILE 28 HD13 ILE 28 -18.084 8.969 3.557 405 H THR 29 H THR 29 -13.367 10.390 4.710 406 H THR 29 H THR 29 -13.112 10.243 4.832 407 HA THR 29 HA THR 29 -13.265 12.466 6.796 408 HA THR 29 HA THR 29 -12.951 10.794 7.687 409 HB THR 29 HB THR 29 -11.974 10.846 8.140 410 HB THR 29 HB THR 29 -11.360 8.983 7.813 411 HG1 THR 29 HG1 THR 29 -12.475 9.144 5.910 412 HG1 THR 29 HG1 THR 29 -10.541 8.008 5.978 413 HG21 THR 29 HG21 THR 29 -13.900 9.101 8.308 414 HG21 THR 29 HG21 THR 29 -12.950 7.432 6.074 415 HG22 THR 29 HG22 THR 29 -14.709 10.147 7.141 416 HG22 THR 29 HG22 THR 29 -13.994 8.697 6.724 417 HG23 THR 29 HG23 THR 29 -14.220 10.786 8.711 418 HG23 THR 29 HG23 THR 29 -13.123 7.623 7.818 419 H ASN 30 H ASN 30 -11.938 11.963 3.939 420 H ASN 30 H ASN 30 -11.255 11.495 4.726 421 HA ASN 30 HA ASN 30 -9.927 12.364 2.927 422 HA ASN 30 HA ASN 30 -9.556 12.933 4.247 423 HB2 ASN 30 HB2 ASN 30 -9.289 14.327 5.091 424 HB2 ASN 30 HB2 ASN 30 -10.852 14.110 6.375 425 HB3 ASN 30 HB3 ASN 30 -9.108 14.488 3.347 426 HB3 ASN 30 HB3 ASN 30 -9.188 14.026 6.943 427 HD21 ASN 30 HD21 ASN 30 -11.553 13.902 2.397 428 HD21 ASN 30 HD21 ASN 30 -7.818 14.353 4.578 429 HD22 ASN 30 HD22 ASN 30 -12.719 15.039 2.975 430 HD22 ASN 30 HD22 ASN 30 -8.105 15.946 3.970 431 H ALA 31 H ALA 31 -9.935 10.305 5.031 432 H ALA 31 H ALA 31 -9.006 10.269 5.111 433 HA ALA 31 HA ALA 31 -7.281 10.541 6.219 434 HA ALA 31 HA ALA 31 -6.210 10.611 5.817 435 HB1 ALA 31 HB1 ALA 31 -9.484 8.515 6.545 436 HB1 ALA 31 HB1 ALA 31 -7.594 8.540 7.423 437 HB2 ALA 31 HB2 ALA 31 -7.896 8.352 7.295 438 HB2 ALA 31 HB2 ALA 31 -6.184 9.525 7.814 439 HB3 ALA 31 HB3 ALA 31 -8.932 9.717 7.713 440 HB3 ALA 31 HB3 ALA 31 -7.801 10.222 7.912 441 H SER 32 H SER 32 -5.675 8.896 5.955 442 H SER 32 H SER 32 -4.920 9.087 4.911 443 HA SER 32 HA SER 32 -5.947 7.299 3.499 444 HA SER 32 HA SER 32 -6.273 6.968 3.380 445 HB2 SER 32 HB2 SER 32 -4.504 9.511 3.406 446 HB2 SER 32 HB2 SER 32 -3.721 7.112 2.359 447 HB3 SER 32 HB3 SER 32 -3.294 8.495 4.189 448 HB3 SER 32 HB3 SER 32 -5.134 7.920 1.680 449 HG SER 32 HG SER 32 -3.412 7.078 2.444 450 HG SER 32 HG SER 32 -3.113 8.970 3.340 451 H GLN 33 H GLN 33 -5.371 5.230 3.708 452 H GLN 33 H GLN 33 -4.956 4.968 3.046 453 HA GLN 33 HA GLN 33 -3.636 4.464 5.952 454 HA GLN 33 HA GLN 33 -2.876 4.297 4.858 455 HB2 GLN 33 HB2 GLN 33 -6.398 3.921 5.762 456 HB2 GLN 33 HB2 GLN 33 -4.060 2.723 6.277 457 HB3 GLN 33 HB3 GLN 33 -5.573 2.406 5.427 458 HB3 GLN 33 HB3 GLN 33 -4.759 4.328 6.450 459 HG2 GLN 33 HG2 GLN 33 -4.234 3.433 7.620 460 HG2 GLN 33 HG2 GLN 33 -6.667 3.748 5.208 461 HG3 GLN 33 HG3 GLN 33 -5.930 3.809 7.928 462 HG3 GLN 33 HG3 GLN 33 -5.917 2.273 4.599 463 HE21 GLN 33 HE21 GLN 33 -7.219 1.699 6.830 464 HE21 GLN 33 HE21 GLN 33 -7.484 3.794 7.292 465 HE22 GLN 33 HE22 GLN 33 -6.795 0.241 7.654 466 HE22 GLN 33 HE22 GLN 33 -7.759 2.356 8.209 467 H PHE 34 H PHE 34 -2.772 2.220 5.705 468 H PHE 34 H PHE 34 -1.883 2.391 4.308 469 HA PHE 34 HA PHE 34 -2.300 1.623 2.858 470 HA PHE 34 HA PHE 34 -2.444 1.332 1.741 471 HB2 PHE 34 HB2 PHE 34 -0.453 2.154 4.981 472 HB2 PHE 34 HB2 PHE 34 -0.649 0.182 3.885 473 HB3 PHE 34 HB3 PHE 34 -0.232 0.494 4.435 474 HB3 PHE 34 HB3 PHE 34 -0.599 -0.198 2.167 475 HD1 PHE 34 HD1 PHE 34 0.691 3.822 3.900 476 HD1 PHE 34 HD1 PHE 34 0.978 1.590 4.651 477 HD2 PHE 34 HD2 PHE 34 -0.158 0.209 1.813 478 HD2 PHE 34 HD2 PHE 34 -0.419 2.042 0.655 479 HE1 PHE 34 HE1 PHE 34 1.988 4.634 1.973 480 HE1 PHE 34 HE1 PHE 34 2.582 3.421 4.301 481 HE2 PHE 34 HE2 PHE 34 1.140 1.015 -0.116 482 HE2 PHE 34 HE2 PHE 34 1.185 3.873 0.299 483 HZ PHE 34 HZ PHE 34 2.215 3.230 -0.037 484 HZ PHE 34 HZ PHE 34 2.689 4.565 2.122 485 H GLU 35 H GLU 35 -4.399 0.574 4.646 486 H GLU 35 H GLU 35 -3.148 0.264 5.011 487 HA GLU 35 HA GLU 35 -3.911 -2.248 4.137 488 HA GLU 35 HA GLU 35 -4.073 -2.333 4.241 489 HB2 GLU 35 HB2 GLU 35 -4.242 -1.059 6.857 490 HB2 GLU 35 HB2 GLU 35 -4.791 -0.902 6.791 491 HB3 GLU 35 HB3 GLU 35 -4.955 -2.633 6.534 492 HB3 GLU 35 HB3 GLU 35 -4.674 -2.634 6.513 493 HG2 GLU 35 HG2 GLU 35 -2.917 -3.257 7.334 494 HG2 GLU 35 HG2 GLU 35 -2.705 -2.371 7.563 495 HG3 GLU 35 HG3 GLU 35 -2.566 -3.178 5.608 496 HG3 GLU 35 HG3 GLU 35 -2.157 -1.937 5.945 497 H ARG 36 H ARG 36 -5.893 -3.556 4.391 498 H ARG 36 H ARG 36 -6.245 -3.096 4.326 499 HA ARG 36 HA ARG 36 -8.036 -2.549 2.996 500 HA ARG 36 HA ARG 36 -8.134 -1.161 3.283 501 HB2 ARG 36 HB2 ARG 36 -7.664 -4.945 3.367 502 HB2 ARG 36 HB2 ARG 36 -7.810 -3.449 2.289 503 HB3 ARG 36 HB3 ARG 36 -8.082 -4.753 5.065 504 HB3 ARG 36 HB3 ARG 36 -8.549 -4.116 3.738 505 HG2 ARG 36 HG2 ARG 36 -10.095 -5.454 4.342 506 HG2 ARG 36 HG2 ARG 36 -10.484 -2.446 3.121 507 HG3 ARG 36 HG3 ARG 36 -10.300 -3.745 3.950 508 HG3 ARG 36 HG3 ARG 36 -9.782 -2.587 1.509 509 HD2 ARG 36 HD2 ARG 36 -9.470 -4.222 1.662 510 HD2 ARG 36 HD2 ARG 36 -10.400 -4.760 1.281 511 HD3 ARG 36 HD3 ARG 36 -9.418 -5.935 2.076 512 HD3 ARG 36 HD3 ARG 36 -10.217 -5.104 3.000 513 HE ARG 36 HE ARG 36 -11.984 -4.688 2.487 514 HE ARG 36 HE ARG 36 -12.378 -3.507 2.962 515 HH11 ARG 36 HH11 ARG 36 -9.909 -6.349 0.239 516 HH11 ARG 36 HH11 ARG 36 -11.524 -6.342 1.131 517 HH12 ARG 36 HH12 ARG 36 -11.214 -6.909 -0.754 518 HH12 ARG 36 HH12 ARG 36 -13.164 -6.861 0.923 519 HH21 ARG 36 HH21 ARG 36 -13.711 -5.417 1.189 520 HH21 ARG 36 HH21 ARG 36 -14.541 -4.179 2.696 521 HH22 ARG 36 HH22 ARG 36 -13.376 -6.377 -0.213 522 HH22 ARG 36 HH22 ARG 36 -14.878 -5.630 1.811 523 HA PRO 37 HA PRO 37 -9.658 0.213 6.158 524 HA PRO 37 HA PRO 37 -9.797 -0.595 7.408 525 HB2 PRO 37 HB2 PRO 37 -11.385 1.477 4.487 526 HB2 PRO 37 HB2 PRO 37 -11.530 1.372 6.700 527 HB3 PRO 37 HB3 PRO 37 -9.659 1.856 4.553 528 HB3 PRO 37 HB3 PRO 37 -9.804 1.656 6.950 529 HG2 PRO 37 HG2 PRO 37 -11.149 0.134 2.607 530 HG2 PRO 37 HG2 PRO 37 -11.307 1.264 4.391 531 HG3 PRO 37 HG3 PRO 37 -9.874 1.328 2.297 532 HG3 PRO 37 HG3 PRO 37 -10.031 2.437 4.771 533 HD2 PRO 37 HD2 PRO 37 -9.389 -1.334 2.372 534 HD2 PRO 37 HD2 PRO 37 -9.553 0.159 3.388 535 HD3 PRO 37 HD3 PRO 37 -8.190 -0.130 2.886 536 HD3 PRO 37 HD3 PRO 37 -8.348 0.891 4.465 537 H SER 38 H SER 38 -11.439 0.085 7.435 538 H SER 38 H SER 38 -11.699 -1.169 8.440 539 HA SER 38 HA SER 38 -13.595 -1.716 6.545 540 HA SER 38 HA SER 38 -13.388 -2.999 7.062 541 HB2 SER 38 HB2 SER 38 -12.169 -2.568 8.431 542 HB2 SER 38 HB2 SER 38 -14.618 -3.117 9.225 543 HB3 SER 38 HB3 SER 38 -12.737 -1.209 9.403 544 HB3 SER 38 HB3 SER 38 -12.879 -3.343 9.412 545 HG SER 38 HG SER 38 -14.476 -3.075 8.168 546 HG SER 38 HG SER 38 -14.209 -1.738 10.805 547 H GLY 39 H GLY 39 -15.666 -1.325 7.901 548 H GLY 39 H GLY 39 -14.402 -0.149 8.951 549 HA2 GLY 39 HA2 GLY 39 -16.403 1.439 7.471 550 HA2 GLY 39 HA2 GLY 39 -15.593 1.609 7.569 551 HA3 GLY 39 HA3 GLY 39 -17.477 0.132 7.949 552 HA3 GLY 39 HA3 GLY 39 -16.541 0.262 6.958 Start of MODEL 18 1 H1 SER 5 H SER 5 -13.285 -2.692 -8.996 2 H1 SER 5 H SER 5 -15.113 -4.335 -7.306 3 HA SER 5 HA SER 5 -11.866 -2.949 -7.233 4 HA SER 5 HA SER 5 -13.011 -4.715 -6.454 5 HB2 SER 5 HB2 SER 5 -13.469 -0.684 -6.023 6 HB2 SER 5 HB2 SER 5 -13.098 -1.727 -6.123 7 HB3 SER 5 HB3 SER 5 -11.819 -1.149 -5.606 8 HB3 SER 5 HB3 SER 5 -11.806 -2.675 -5.388 9 HG SER 5 HG SER 5 -12.121 0.668 -7.135 10 HG SER 5 HG SER 5 -11.566 -3.579 -7.611 11 H LYS 6 H LYS 6 -12.076 -2.759 -4.532 12 H LYS 6 H LYS 6 -12.582 -5.668 -4.554 13 HA LYS 6 HA LYS 6 -14.398 -4.367 -3.754 14 HA LYS 6 HA LYS 6 -14.460 -5.588 -2.454 15 HB2 LYS 6 HB2 LYS 6 -11.538 -5.114 -3.115 16 HB2 LYS 6 HB2 LYS 6 -12.721 -6.931 -1.209 17 HB3 LYS 6 HB3 LYS 6 -12.974 -5.956 -2.547 18 HB3 LYS 6 HB3 LYS 6 -13.218 -7.592 -2.760 19 HG2 LYS 6 HG2 LYS 6 -12.944 -7.228 -4.352 20 HG2 LYS 6 HG2 LYS 6 -10.928 -5.826 -2.997 21 HG3 LYS 6 HG3 LYS 6 -13.122 -5.799 -5.373 22 HG3 LYS 6 HG3 LYS 6 -10.632 -7.184 -1.908 23 HD2 LYS 6 HD2 LYS 6 -11.155 -6.888 -6.104 24 HD2 LYS 6 HD2 LYS 6 -10.643 -8.679 -3.587 25 HD3 LYS 6 HD3 LYS 6 -10.621 -5.496 -5.161 26 HD3 LYS 6 HD3 LYS 6 -12.014 -7.908 -4.389 27 HE2 LYS 6 HE2 LYS 6 -10.332 -6.986 -3.206 28 HE2 LYS 6 HE2 LYS 6 -10.649 -6.974 -5.869 29 HE3 LYS 6 HE3 LYS 6 -10.766 -8.359 -4.224 30 HE3 LYS 6 HE3 LYS 6 -9.756 -6.181 -4.572 31 HZ1 LYS 6 HZ1 LYS 6 -8.309 -7.883 -3.884 32 HZ1 LYS 6 HZ1 LYS 6 -9.091 -8.553 -6.090 33 HZ2 LYS 6 HZ2 LYS 6 -8.524 -6.565 -4.921 34 HZ2 LYS 6 HZ2 LYS 6 -8.803 -8.676 -4.428 35 HZ3 LYS 6 HZ3 LYS 6 -8.828 -8.133 -5.474 36 HZ3 LYS 6 HZ3 LYS 6 -8.077 -7.439 -5.324 37 H LEU 7 H LEU 7 -14.063 -1.686 -3.211 38 H LEU 7 H LEU 7 -14.751 -3.670 -1.444 39 HA LEU 7 HA LEU 7 -13.395 -1.690 -0.341 40 HA LEU 7 HA LEU 7 -12.922 -2.848 0.527 41 HB2 LEU 7 HB2 LEU 7 -12.957 0.331 -2.483 42 HB2 LEU 7 HB2 LEU 7 -12.144 -0.761 -0.304 43 HB3 LEU 7 HB3 LEU 7 -13.265 0.895 -0.842 44 HB3 LEU 7 HB3 LEU 7 -11.743 -1.996 -1.496 45 HG LEU 7 HG LEU 7 -11.293 -0.198 -0.029 46 HG LEU 7 HG LEU 7 -14.247 -0.896 -2.226 47 HD11 LEU 7 HD11 LEU 7 -9.778 -1.296 -1.808 48 HD11 LEU 7 HD11 LEU 7 -12.216 1.292 -2.022 49 HD12 LEU 7 HD12 LEU 7 -11.267 -1.469 -2.737 50 HD12 LEU 7 HD12 LEU 7 -13.347 0.987 -0.703 51 HD13 LEU 7 HD13 LEU 7 -11.129 -2.221 -1.147 52 HD13 LEU 7 HD13 LEU 7 -13.955 1.400 -2.306 53 HD21 LEU 7 HD21 LEU 7 -9.649 0.800 -1.933 54 HD21 LEU 7 HD21 LEU 7 -12.568 -1.881 -3.718 55 HD22 LEU 7 HD22 LEU 7 -10.452 1.776 -0.704 56 HD22 LEU 7 HD22 LEU 7 -11.498 -0.514 -3.410 57 HD23 LEU 7 HD23 LEU 7 -11.150 1.642 -2.318 58 HD23 LEU 7 HD23 LEU 7 -13.037 -0.262 -4.237 59 HA PRO 8 HA PRO 8 -17.519 -0.535 0.618 60 HA PRO 8 HA PRO 8 -16.544 -0.933 2.098 61 HB2 PRO 8 HB2 PRO 8 -17.145 1.135 2.726 62 HB2 PRO 8 HB2 PRO 8 -15.501 1.071 3.604 63 HB3 PRO 8 HB3 PRO 8 -16.909 -0.614 2.833 64 HB3 PRO 8 HB3 PRO 8 -15.399 -0.631 4.068 65 HG2 PRO 8 HG2 PRO 8 -14.875 1.554 2.485 66 HG2 PRO 8 HG2 PRO 8 -13.339 1.102 2.758 67 HG3 PRO 8 HG3 PRO 8 -14.815 0.121 3.527 68 HG3 PRO 8 HG3 PRO 8 -13.141 -0.075 4.070 69 HD2 PRO 8 HD2 PRO 8 -13.530 0.248 1.148 70 HD2 PRO 8 HD2 PRO 8 -12.500 -0.638 1.501 71 HD3 PRO 8 HD3 PRO 8 -14.195 -1.267 1.794 72 HD3 PRO 8 HD3 PRO 8 -13.107 -1.871 2.625 73 HA PRO 9 HA PRO 9 -18.730 3.333 -1.089 74 HA PRO 9 HA PRO 9 -17.751 2.517 -0.350 75 HB2 PRO 9 HB2 PRO 9 -20.718 4.176 0.557 76 HB2 PRO 9 HB2 PRO 9 -19.578 3.709 1.264 77 HB3 PRO 9 HB3 PRO 9 -20.904 2.817 -0.557 78 HB3 PRO 9 HB3 PRO 9 -19.885 2.180 0.432 79 HG2 PRO 9 HG2 PRO 9 -20.317 2.791 2.378 80 HG2 PRO 9 HG2 PRO 9 -19.060 2.661 3.269 81 HG3 PRO 9 HG3 PRO 9 -21.432 1.769 1.452 82 HG3 PRO 9 HG3 PRO 9 -20.267 1.528 2.631 83 HD2 PRO 9 HD2 PRO 9 -18.976 0.925 2.218 84 HD2 PRO 9 HD2 PRO 9 -17.774 0.750 3.348 85 HD3 PRO 9 HD3 PRO 9 -19.746 0.384 0.713 86 HD3 PRO 9 HD3 PRO 9 -18.676 -0.024 2.029 87 H GLY 10 H GLY 10 -17.315 4.978 -1.031 88 H GLY 10 H GLY 10 -17.367 4.696 -0.678 89 HA2 GLY 10 HA2 GLY 10 -17.174 7.256 0.008 90 HA2 GLY 10 HA2 GLY 10 -16.788 6.892 -0.062 91 HA3 GLY 10 HA3 GLY 10 -16.974 6.406 1.535 92 HA3 GLY 10 HA3 GLY 10 -16.402 6.315 1.553 93 H TRP 11 H TRP 11 -15.307 4.345 0.069 94 H TRP 11 H TRP 11 -14.665 4.214 0.853 95 HA TRP 11 HA TRP 11 -12.804 5.855 0.236 96 HA TRP 11 HA TRP 11 -12.276 5.738 0.339 97 HB2 TRP 11 HB2 TRP 11 -13.535 2.973 0.579 98 HB2 TRP 11 HB2 TRP 11 -12.563 2.755 0.743 99 HB3 TRP 11 HB3 TRP 11 -11.883 3.390 0.132 100 HB3 TRP 11 HB3 TRP 11 -11.081 3.697 0.866 101 HD1 TRP 11 HD1 TRP 11 -14.351 3.617 3.033 102 HD1 TRP 11 HD1 TRP 11 -14.363 3.031 2.746 103 HE1 TRP 11 HE1 TRP 11 -13.065 4.266 5.166 104 HE1 TRP 11 HE1 TRP 11 -14.055 3.750 5.198 105 HE3 TRP 11 HE3 TRP 11 -9.797 4.649 0.952 106 HE3 TRP 11 HE3 TRP 11 -9.751 5.208 2.383 107 HZ2 TRP 11 HZ2 TRP 11 -10.463 5.106 5.872 108 HZ2 TRP 11 HZ2 TRP 11 -12.117 5.069 6.770 109 HZ3 TRP 11 HZ3 TRP 11 -7.963 5.370 2.425 110 HZ3 TRP 11 HZ3 TRP 11 -8.741 6.175 4.407 111 HH2 TRP 11 HH2 TRP 11 -8.292 5.593 4.833 112 HH2 TRP 11 HH2 TRP 11 -9.901 6.106 6.554 113 H GLU 12 H GLU 12 -11.124 5.510 -1.332 114 H GLU 12 H GLU 12 -10.850 5.502 -1.376 115 HA GLU 12 HA GLU 12 -12.098 4.588 -3.951 116 HA GLU 12 HA GLU 12 -11.836 3.951 -3.676 117 HB2 GLU 12 HB2 GLU 12 -11.557 7.231 -3.290 118 HB2 GLU 12 HB2 GLU 12 -11.277 5.709 -5.182 119 HB3 GLU 12 HB3 GLU 12 -10.104 6.700 -4.124 120 HB3 GLU 12 HB3 GLU 12 -12.235 6.427 -3.895 121 HG2 GLU 12 HG2 GLU 12 -11.661 5.835 -5.942 122 HG2 GLU 12 HG2 GLU 12 -10.602 7.814 -3.327 123 HG3 GLU 12 HG3 GLU 12 -12.917 6.786 -5.152 124 HG3 GLU 12 HG3 GLU 12 -9.408 6.518 -3.298 125 H LYS 13 H LYS 13 -10.904 2.991 -4.722 126 H LYS 13 H LYS 13 -10.267 3.079 -5.057 127 HA LYS 13 HA LYS 13 -8.301 2.427 -3.580 128 HA LYS 13 HA LYS 13 -7.665 2.704 -3.783 129 HB2 LYS 13 HB2 LYS 13 -9.720 0.533 -3.881 130 HB2 LYS 13 HB2 LYS 13 -8.809 1.275 -6.186 131 HB3 LYS 13 HB3 LYS 13 -10.052 0.964 -5.553 132 HB3 LYS 13 HB3 LYS 13 -7.393 0.806 -5.255 133 HG2 LYS 13 HG2 LYS 13 -8.172 0.003 -6.311 134 HG2 LYS 13 HG2 LYS 13 -9.066 0.689 -3.270 135 HG3 LYS 13 HG3 LYS 13 -7.216 0.526 -4.922 136 HG3 LYS 13 HG3 LYS 13 -10.280 0.585 -4.546 137 HD2 LYS 13 HD2 LYS 13 -7.406 -1.485 -3.991 138 HD2 LYS 13 HD2 LYS 13 -7.871 -1.214 -4.436 139 HD3 LYS 13 HD3 LYS 13 -9.167 -1.393 -4.074 140 HD3 LYS 13 HD3 LYS 13 -9.401 -1.617 -3.653 141 HE2 LYS 13 HE2 LYS 13 -7.461 -2.168 -6.427 142 HE2 LYS 13 HE2 LYS 13 -9.601 -2.672 -5.702 143 HE3 LYS 13 HE3 LYS 13 -8.070 -3.345 -5.268 144 HE3 LYS 13 HE3 LYS 13 -10.429 -1.141 -5.986 145 HZ1 LYS 13 HZ1 LYS 13 -9.638 -1.602 -7.078 146 HZ1 LYS 13 HZ1 LYS 13 -8.995 -0.653 -7.583 147 HZ2 LYS 13 HZ2 LYS 13 -10.338 -2.433 -5.781 148 HZ2 LYS 13 HZ2 LYS 13 -8.310 -2.191 -7.418 149 HZ3 LYS 13 HZ3 LYS 13 -9.600 -3.293 -7.037 150 HZ3 LYS 13 HZ3 LYS 13 -7.670 -0.886 -6.557 151 H ARG 14 H ARG 14 -6.718 3.712 -4.335 152 H ARG 14 H ARG 14 -5.774 3.391 -4.631 153 HA ARG 14 HA ARG 14 -6.461 3.987 -7.258 154 HA ARG 14 HA ARG 14 -5.832 4.644 -7.293 155 HB2 ARG 14 HB2 ARG 14 -5.406 5.835 -5.110 156 HB2 ARG 14 HB2 ARG 14 -4.213 5.762 -5.014 157 HB3 ARG 14 HB3 ARG 14 -5.223 6.061 -6.843 158 HB3 ARG 14 HB3 ARG 14 -4.614 6.524 -6.548 159 HG2 ARG 14 HG2 ARG 14 -7.972 5.753 -6.399 160 HG2 ARG 14 HG2 ARG 14 -7.057 5.944 -5.290 161 HG3 ARG 14 HG3 ARG 14 -7.384 6.824 -5.126 162 HG3 ARG 14 HG3 ARG 14 -6.002 6.635 -4.055 163 HD2 ARG 14 HD2 ARG 14 -6.252 8.176 -6.898 164 HD2 ARG 14 HD2 ARG 14 -7.248 8.391 -5.168 165 HD3 ARG 14 HD3 ARG 14 -7.061 7.170 -8.101 166 HD3 ARG 14 HD3 ARG 14 -5.530 8.532 -5.544 167 HE ARG 14 HE ARG 14 -8.834 8.399 -6.190 168 HE ARG 14 HE ARG 14 -6.448 7.099 -7.618 169 HH11 ARG 14 HH11 ARG 14 -7.205 8.736 -9.248 170 HH11 ARG 14 HH11 ARG 14 -7.575 10.039 -6.133 171 HH12 ARG 14 HH12 ARG 14 -8.327 9.902 -9.866 172 HH12 ARG 14 HH12 ARG 14 -8.236 10.681 -7.600 173 HH21 ARG 14 HH21 ARG 14 -10.320 9.934 -6.991 174 HH21 ARG 14 HH21 ARG 14 -7.317 7.932 -9.556 175 HH22 ARG 14 HH22 ARG 14 -10.098 10.584 -8.581 176 HH22 ARG 14 HH22 ARG 14 -8.090 9.481 -9.547 177 H MET 15 H MET 15 -4.117 4.359 -7.941 178 H MET 15 H MET 15 -3.931 4.516 -8.499 179 HA MET 15 HA MET 15 -2.293 2.697 -6.342 180 HA MET 15 HA MET 15 -1.981 2.556 -7.487 181 HB2 MET 15 HB2 MET 15 -3.377 1.580 -8.425 182 HB2 MET 15 HB2 MET 15 -3.057 3.117 -10.228 183 HB3 MET 15 HB3 MET 15 -2.267 2.592 -9.341 184 HB3 MET 15 HB3 MET 15 -1.477 2.369 -10.044 185 HG2 MET 15 HG2 MET 15 -0.557 1.249 -8.923 186 HG2 MET 15 HG2 MET 15 -4.015 1.284 -8.847 187 HG3 MET 15 HG3 MET 15 -0.914 1.212 -7.198 188 HG3 MET 15 HG3 MET 15 -3.336 0.765 -10.390 189 HE1 MET 15 HE1 MET 15 0.130 -1.266 -9.375 190 HE1 MET 15 HE1 MET 15 -0.522 -1.510 -9.606 191 HE2 MET 15 HE2 MET 15 -1.240 -2.180 -10.008 192 HE2 MET 15 HE2 MET 15 -2.147 -1.662 -10.272 193 HE3 MET 15 HE3 MET 15 -0.974 -0.514 -10.528 194 HE3 MET 15 HE3 MET 15 -1.132 -0.292 -10.727 195 H SER 16 H SER 16 -0.175 3.335 -6.288 196 H SER 16 H SER 16 -0.142 3.456 -6.850 197 HA SER 16 HA SER 16 0.381 5.961 -7.477 198 HA SER 16 HA SER 16 0.662 6.078 -7.483 199 HB2 SER 16 HB2 SER 16 0.909 6.281 -5.280 200 HB2 SER 16 HB2 SER 16 1.593 3.935 -5.822 201 HB3 SER 16 HB3 SER 16 1.243 4.570 -5.001 202 HB3 SER 16 HB3 SER 16 2.958 4.592 -6.728 203 HG SER 16 HG SER 16 2.971 6.546 -5.472 204 HG SER 16 HG SER 16 2.738 5.799 -4.879 205 H ARG 17 H ARG 17 2.155 6.331 -8.756 206 H ARG 17 H ARG 17 2.622 6.736 -8.612 207 HA ARG 17 HA ARG 17 3.277 4.001 -10.057 208 HA ARG 17 HA ARG 17 3.122 5.053 -10.976 209 HB2 ARG 17 HB2 ARG 17 3.939 5.426 -11.765 210 HB2 ARG 17 HB2 ARG 17 1.982 7.298 -11.307 211 HB3 ARG 17 HB3 ARG 17 2.499 6.227 -11.157 212 HB3 ARG 17 HB3 ARG 17 3.498 8.041 -10.816 213 HG2 ARG 17 HG2 ARG 17 4.203 7.518 -9.658 214 HG2 ARG 17 HG2 ARG 17 4.553 6.638 -12.693 215 HG3 ARG 17 HG3 ARG 17 5.360 7.010 -10.893 216 HG3 ARG 17 HG3 ARG 17 2.897 6.437 -13.270 217 HD2 ARG 17 HD2 ARG 17 4.437 9.225 -11.377 218 HD2 ARG 17 HD2 ARG 17 4.474 8.978 -12.960 219 HD3 ARG 17 HD3 ARG 17 3.997 8.053 -12.618 220 HD3 ARG 17 HD3 ARG 17 3.771 8.301 -14.427 221 HE ARG 17 HE ARG 17 1.931 8.089 -10.770 222 HE ARG 17 HE ARG 17 1.605 8.728 -12.895 223 HH11 ARG 17 HH11 ARG 17 3.442 10.292 -13.001 224 HH11 ARG 17 HH11 ARG 17 4.305 10.749 -13.757 225 HH12 ARG 17 HH12 ARG 17 2.001 11.214 -13.269 226 HH12 ARG 17 HH12 ARG 17 3.397 12.222 -13.676 227 HH21 ARG 17 HH21 ARG 17 0.026 9.296 -11.113 228 HH21 ARG 17 HH21 ARG 17 0.398 10.662 -12.785 229 HH22 ARG 17 HH22 ARG 17 0.059 10.649 -12.193 230 HH22 ARG 17 HH22 ARG 17 1.175 12.171 -13.123 231 H ASN 18 H ASN 18 5.765 4.622 -10.776 232 H ASN 18 H ASN 18 4.570 4.524 -8.694 233 HA ASN 18 HA ASN 18 7.947 4.694 -10.128 234 HA ASN 18 HA ASN 18 7.257 5.171 -9.602 235 HB2 ASN 18 HB2 ASN 18 6.647 6.610 -8.426 236 HB2 ASN 18 HB2 ASN 18 6.049 6.393 -7.274 237 HB3 ASN 18 HB3 ASN 18 7.893 5.767 -7.512 238 HB3 ASN 18 HB3 ASN 18 7.452 5.432 -6.815 239 HD21 ASN 18 HD21 ASN 18 7.464 8.497 -8.982 240 HD21 ASN 18 HD21 ASN 18 6.582 8.432 -7.475 241 HD22 ASN 18 HD22 ASN 18 9.000 8.754 -9.728 242 HD22 ASN 18 HD22 ASN 18 8.024 9.045 -8.205 243 H SER 19 H SER 19 6.451 4.396 -6.921 244 H SER 19 H SER 19 5.220 3.460 -7.268 245 HA SER 19 HA SER 19 8.097 2.132 -6.288 246 HA SER 19 HA SER 19 6.909 1.097 -7.612 247 HB2 SER 19 HB2 SER 19 7.025 2.197 -4.110 248 HB2 SER 19 HB2 SER 19 6.933 0.650 -5.199 249 HB3 SER 19 HB3 SER 19 7.426 3.842 -4.601 250 HB3 SER 19 HB3 SER 19 7.702 2.197 -5.554 251 HG SER 19 HG SER 19 5.097 3.659 -5.504 252 HG SER 19 HG SER 19 5.754 3.219 -4.943 253 H GLY 20 H GLY 20 4.809 2.647 -7.353 254 H GLY 20 H GLY 20 4.113 2.147 -8.302 255 HA2 GLY 20 HA2 GLY 20 3.267 1.151 -8.183 256 HA2 GLY 20 HA2 GLY 20 1.955 1.349 -8.388 257 HA3 GLY 20 HA3 GLY 20 4.512 -0.087 -8.103 258 HA3 GLY 20 HA3 GLY 20 2.739 -0.222 -8.425 259 H ARG 21 H ARG 21 3.037 1.883 -5.539 260 H ARG 21 H ARG 21 2.962 1.960 -5.698 261 HA ARG 21 HA ARG 21 2.273 -0.627 -4.200 262 HA ARG 21 HA ARG 21 2.063 -0.041 -3.891 263 HB2 ARG 21 HB2 ARG 21 3.254 2.004 -3.163 264 HB2 ARG 21 HB2 ARG 21 3.475 2.341 -3.686 265 HB3 ARG 21 HB3 ARG 21 2.211 1.015 -2.148 266 HB3 ARG 21 HB3 ARG 21 1.970 2.673 -2.840 267 HG2 ARG 21 HG2 ARG 21 3.849 -0.420 -1.668 268 HG2 ARG 21 HG2 ARG 21 2.689 1.560 -1.070 269 HG3 ARG 21 HG3 ARG 21 4.409 -0.480 -3.340 270 HG3 ARG 21 HG3 ARG 21 2.928 0.109 -2.046 271 HD2 ARG 21 HD2 ARG 21 6.182 0.441 -2.068 272 HD2 ARG 21 HD2 ARG 21 5.042 0.534 -1.171 273 HD3 ARG 21 HD3 ARG 21 5.451 1.778 -2.955 274 HD3 ARG 21 HD3 ARG 21 5.119 1.223 -2.792 275 HE ARG 21 HE ARG 21 5.228 1.278 -0.076 276 HE ARG 21 HE ARG 21 4.368 3.066 -0.689 277 HH11 ARG 21 HH11 ARG 21 4.625 3.301 -2.844 278 HH11 ARG 21 HH11 ARG 21 6.937 1.719 -2.614 279 HH12 ARG 21 HH12 ARG 21 4.203 4.690 -1.899 280 HH12 ARG 21 HH12 ARG 21 8.012 3.051 -2.348 281 HH21 ARG 21 HH21 ARG 21 4.674 3.100 1.179 282 HH21 ARG 21 HH21 ARG 21 5.776 4.827 -0.331 283 HH22 ARG 21 HH22 ARG 21 4.231 4.576 0.388 284 HH22 ARG 21 HH22 ARG 21 7.351 4.817 -1.047 285 H VAL 22 H VAL 22 0.234 -0.835 -3.310 286 H VAL 22 H VAL 22 0.000 -0.691 -3.956 287 HA VAL 22 HA VAL 22 -1.795 0.882 -4.476 288 HA VAL 22 HA VAL 22 -2.161 1.101 -4.577 289 HB VAL 22 HB VAL 22 -2.122 -1.581 -2.758 290 HB VAL 22 HB VAL 22 -1.928 -1.506 -4.983 291 HG11 VAL 22 HG11 VAL 22 -4.315 -1.221 -2.790 292 HG11 VAL 22 HG11 VAL 22 -1.816 -1.941 -2.515 293 HG12 VAL 22 HG12 VAL 22 -3.989 0.374 -3.472 294 HG12 VAL 22 HG12 VAL 22 -3.507 -1.445 -2.418 295 HG13 VAL 22 HG13 VAL 22 -4.303 -0.994 -4.539 296 HG13 VAL 22 HG13 VAL 22 -3.055 -2.856 -3.375 297 HG21 VAL 22 HG21 VAL 22 -2.320 -2.857 -4.705 298 HG21 VAL 22 HG21 VAL 22 -3.723 -0.091 -5.832 299 HG22 VAL 22 HG22 VAL 22 -2.521 -1.434 -5.729 300 HG22 VAL 22 HG22 VAL 22 -4.362 -1.620 -5.232 301 HG23 VAL 22 HG23 VAL 22 -0.945 -1.801 -5.029 302 HG23 VAL 22 HG23 VAL 22 -4.530 -0.157 -4.264 303 H TYR 23 H TYR 23 -2.751 2.506 -3.449 304 H TYR 23 H TYR 23 -3.751 1.866 -3.218 305 HA TYR 23 HA TYR 23 -2.725 2.526 -0.505 306 HA TYR 23 HA TYR 23 -3.821 1.170 -0.430 307 HB2 TYR 23 HB2 TYR 23 -2.255 4.878 -0.479 308 HB2 TYR 23 HB2 TYR 23 -3.326 3.427 0.414 309 HB3 TYR 23 HB3 TYR 23 -1.050 4.109 -1.507 310 HB3 TYR 23 HB3 TYR 23 -1.940 2.731 -0.417 311 HD1 TYR 23 HD1 TYR 23 -1.076 4.450 -3.927 312 HD1 TYR 23 HD1 TYR 23 -4.537 5.311 -0.539 313 HD2 TYR 23 HD2 TYR 23 -3.905 6.385 -1.404 314 HD2 TYR 23 HD2 TYR 23 -1.163 3.650 -2.526 315 HE1 TYR 23 HE1 TYR 23 -1.645 5.990 -5.757 316 HE1 TYR 23 HE1 TYR 23 -4.410 7.303 -1.974 317 HE2 TYR 23 HE2 TYR 23 -4.482 7.930 -3.228 318 HE2 TYR 23 HE2 TYR 23 -1.026 5.637 -3.968 319 HH TYR 23 HH TYR 23 -3.073 8.789 -5.426 320 HH TYR 23 HH TYR 23 -1.750 7.778 -4.227 321 H TYR 24 H TYR 24 -4.396 3.948 0.443 322 H TYR 24 H TYR 24 -5.422 2.677 0.745 323 HA TYR 24 HA TYR 24 -6.783 4.130 -1.275 324 HA TYR 24 HA TYR 24 -7.612 3.340 -1.116 325 HB2 TYR 24 HB2 TYR 24 -6.723 3.349 1.647 326 HB2 TYR 24 HB2 TYR 24 -7.856 2.315 1.721 327 HB3 TYR 24 HB3 TYR 24 -8.161 3.490 0.642 328 HB3 TYR 24 HB3 TYR 24 -9.188 2.677 0.629 329 HD1 TYR 24 HD1 TYR 24 -7.671 2.094 -1.750 330 HD1 TYR 24 HD1 TYR 24 -9.971 1.060 -0.895 331 HD2 TYR 24 HD2 TYR 24 -6.236 1.159 2.147 332 HD2 TYR 24 HD2 TYR 24 -6.275 0.430 1.117 333 HE1 TYR 24 HE1 TYR 24 -7.445 -0.266 -2.405 334 HE1 TYR 24 HE1 TYR 24 -9.913 -1.248 -1.738 335 HE2 TYR 24 HE2 TYR 24 -6.005 -1.203 1.499 336 HE2 TYR 24 HE2 TYR 24 -6.206 -1.880 0.278 337 HH TYR 24 HH TYR 24 -6.615 -2.270 -1.813 338 HH TYR 24 HH TYR 24 -7.416 -3.515 -0.713 339 H PHE 25 H PHE 25 -8.140 5.882 -0.969 340 H PHE 25 H PHE 25 -8.290 5.375 -1.100 341 HA PHE 25 HA PHE 25 -7.355 7.882 1.023 342 HA PHE 25 HA PHE 25 -7.691 7.035 1.259 343 HB2 PHE 25 HB2 PHE 25 -6.522 8.162 -1.543 344 HB2 PHE 25 HB2 PHE 25 -6.206 7.760 -0.465 345 HB3 PHE 25 HB3 PHE 25 -8.084 8.972 -1.626 346 HB3 PHE 25 HB3 PHE 25 -7.491 7.743 -1.669 347 HD1 PHE 25 HD1 PHE 25 -8.464 11.057 -0.515 348 HD1 PHE 25 HD1 PHE 25 -6.186 9.505 1.292 349 HD2 PHE 25 HD2 PHE 25 -4.746 9.021 -0.101 350 HD2 PHE 25 HD2 PHE 25 -8.931 9.598 -1.960 351 HE1 PHE 25 HE1 PHE 25 -7.464 13.084 0.457 352 HE1 PHE 25 HE1 PHE 25 -6.628 11.884 1.735 353 HE2 PHE 25 HE2 PHE 25 -3.742 11.045 0.872 354 HE2 PHE 25 HE2 PHE 25 -9.375 11.978 -1.522 355 HZ PHE 25 HZ PHE 25 -5.103 13.080 1.154 356 HZ PHE 25 HZ PHE 25 -8.223 13.124 0.328 357 H ASN 26 H ASN 26 -9.090 8.351 2.183 358 H ASN 26 H ASN 26 -9.294 8.323 2.027 359 HA ASN 26 HA ASN 26 -11.745 7.876 1.107 360 HA ASN 26 HA ASN 26 -11.836 8.333 0.539 361 HB2 ASN 26 HB2 ASN 26 -11.058 7.159 3.426 362 HB2 ASN 26 HB2 ASN 26 -12.060 6.832 2.426 363 HB3 ASN 26 HB3 ASN 26 -11.011 8.864 3.866 364 HB3 ASN 26 HB3 ASN 26 -11.417 8.052 3.521 365 HD21 ASN 26 HD21 ASN 26 -12.634 7.140 5.205 366 HD21 ASN 26 HD21 ASN 26 -13.791 8.335 0.917 367 HD22 ASN 26 HD22 ASN 26 -14.288 7.478 4.833 368 HD22 ASN 26 HD22 ASN 26 -15.082 8.902 1.918 369 H HIS 27 H HIS 27 -12.921 9.408 0.181 370 H HIS 27 H HIS 27 -13.003 10.223 0.512 371 HA HIS 27 HA HIS 27 -12.068 12.155 0.224 372 HA HIS 27 HA HIS 27 -11.525 12.620 1.187 373 HB2 HIS 27 HB2 HIS 27 -13.875 12.545 -1.351 374 HB2 HIS 27 HB2 HIS 27 -13.490 13.767 0.084 375 HB3 HIS 27 HB3 HIS 27 -12.994 11.093 -1.815 376 HB3 HIS 27 HB3 HIS 27 -12.596 12.652 -0.946 377 HD1 HIS 27 HD1 HIS 27 -16.165 12.012 0.070 378 HD1 HIS 27 HD1 HIS 27 -13.759 10.230 -1.253 379 HD2 HIS 27 HD2 HIS 27 -14.588 8.943 -2.241 380 HD2 HIS 27 HD2 HIS 27 -16.162 13.270 0.248 381 HE1 HIS 27 HE1 HIS 27 -18.043 10.368 -0.236 382 HE1 HIS 27 HE1 HIS 27 -16.125 9.435 -1.567 383 H ILE 28 H ILE 28 -13.724 10.369 2.395 384 H ILE 28 H ILE 28 -14.185 10.780 2.426 385 HA ILE 28 HA ILE 28 -15.651 12.450 3.109 386 HA ILE 28 HA ILE 28 -15.316 12.858 4.030 387 HB ILE 28 HB ILE 28 -15.243 9.700 4.294 388 HB ILE 28 HB ILE 28 -15.606 9.858 4.169 389 HG12 ILE 28 HG12 ILE 28 -17.135 10.809 2.235 390 HG12 ILE 28 HG12 ILE 28 -17.389 12.054 3.101 391 HG13 ILE 28 HG13 ILE 28 -16.133 9.363 2.145 392 HG13 ILE 28 HG13 ILE 28 -16.558 10.823 2.158 393 HG21 ILE 28 HG21 ILE 28 -17.257 10.066 5.537 394 HG21 ILE 28 HG21 ILE 28 -17.525 10.286 5.654 395 HG22 ILE 28 HG22 ILE 28 -16.154 11.402 5.865 396 HG22 ILE 28 HG22 ILE 28 -15.994 10.784 6.371 397 HG23 ILE 28 HG23 ILE 28 -17.508 11.631 4.760 398 HG23 ILE 28 HG23 ILE 28 -17.086 11.993 5.698 399 HD11 ILE 28 HD11 ILE 28 -18.624 9.753 3.784 400 HD11 ILE 28 HD11 ILE 28 -17.929 9.132 3.469 401 HD12 ILE 28 HD12 ILE 28 -18.408 8.699 2.385 402 HD12 ILE 28 HD12 ILE 28 -18.906 10.506 3.989 403 HD13 ILE 28 HD13 ILE 28 -17.571 8.343 3.896 404 HD13 ILE 28 HD13 ILE 28 -18.776 10.112 2.274 405 H THR 29 H THR 29 -12.960 10.627 4.545 406 H THR 29 H THR 29 -12.898 10.360 4.521 407 HA THR 29 HA THR 29 -12.759 12.706 6.622 408 HA THR 29 HA THR 29 -12.650 10.991 7.350 409 HB THR 29 HB THR 29 -11.505 11.037 7.963 410 HB THR 29 HB THR 29 -11.006 9.208 7.450 411 HG1 THR 29 HG1 THR 29 -12.190 9.337 5.784 412 HG1 THR 29 HG1 THR 29 -10.201 8.255 5.643 413 HG21 THR 29 HG21 THR 29 -14.314 10.503 7.070 414 HG21 THR 29 HG21 THR 29 -12.624 7.519 5.947 415 HG22 THR 29 HG22 THR 29 -13.730 11.137 8.610 416 HG22 THR 29 HG22 THR 29 -13.690 8.845 6.414 417 HG23 THR 29 HG23 THR 29 -13.535 9.426 8.230 418 HG23 THR 29 HG23 THR 29 -12.827 7.928 7.650 419 H ASN 30 H ASN 30 -11.523 12.187 3.760 420 H ASN 30 H ASN 30 -11.010 11.608 4.331 421 HA ASN 30 HA ASN 30 -9.512 12.473 2.707 422 HA ASN 30 HA ASN 30 -9.337 13.049 3.775 423 HB2 ASN 30 HB2 ASN 30 -8.688 14.367 4.863 424 HB2 ASN 30 HB2 ASN 30 -10.635 14.322 5.807 425 HB3 ASN 30 HB3 ASN 30 -8.594 14.549 3.114 426 HB3 ASN 30 HB3 ASN 30 -9.002 14.214 6.465 427 HD21 ASN 30 HD21 ASN 30 -11.088 14.149 2.259 428 HD21 ASN 30 HD21 ASN 30 -7.508 14.442 4.164 429 HD22 ASN 30 HD22 ASN 30 -12.169 15.320 2.929 430 HD22 ASN 30 HD22 ASN 30 -7.721 16.022 3.499 431 H ALA 31 H ALA 31 -9.578 10.375 4.746 432 H ALA 31 H ALA 31 -8.724 10.432 4.685 433 HA ALA 31 HA ALA 31 -6.863 10.447 5.836 434 HA ALA 31 HA ALA 31 -5.926 10.810 5.305 435 HB1 ALA 31 HB1 ALA 31 -7.555 8.403 7.063 436 HB1 ALA 31 HB1 ALA 31 -7.173 8.848 7.119 437 HB2 ALA 31 HB2 ALA 31 -8.558 9.812 7.412 438 HB2 ALA 31 HB2 ALA 31 -5.829 9.958 7.392 439 HB3 ALA 31 HB3 ALA 31 -9.153 8.553 6.331 440 HB3 ALA 31 HB3 ALA 31 -7.489 10.547 7.477 441 H SER 32 H SER 32 -5.453 8.600 5.578 442 H SER 32 H SER 32 -4.692 9.263 4.394 443 HA SER 32 HA SER 32 -5.972 7.035 3.140 444 HA SER 32 HA SER 32 -6.100 6.996 3.150 445 HB2 SER 32 HB2 SER 32 -4.415 8.475 2.247 446 HB2 SER 32 HB2 SER 32 -3.630 7.113 1.935 447 HB3 SER 32 HB3 SER 32 -3.631 8.764 3.801 448 HB3 SER 32 HB3 SER 32 -5.114 7.816 1.294 449 HG SER 32 HG SER 32 -2.217 7.374 3.126 450 HG SER 32 HG SER 32 -2.891 9.052 2.206 451 H GLN 33 H GLN 33 -5.217 4.939 3.127 452 H GLN 33 H GLN 33 -4.737 5.009 2.862 453 HA GLN 33 HA GLN 33 -3.624 3.964 5.349 454 HA GLN 33 HA GLN 33 -2.545 4.556 4.633 455 HB2 GLN 33 HB2 GLN 33 -6.309 3.908 5.699 456 HB2 GLN 33 HB2 GLN 33 -3.585 3.029 6.175 457 HB3 GLN 33 HB3 GLN 33 -6.064 2.360 4.898 458 HB3 GLN 33 HB3 GLN 33 -4.460 4.555 6.229 459 HG2 GLN 33 HG2 GLN 33 -4.508 1.674 6.601 460 HG2 GLN 33 HG2 GLN 33 -6.264 3.665 4.976 461 HG3 GLN 33 HG3 GLN 33 -4.603 3.257 7.371 462 HG3 GLN 33 HG3 GLN 33 -5.355 2.207 4.582 463 HE21 GLN 33 HE21 GLN 33 -6.789 0.687 6.262 464 HE21 GLN 33 HE21 GLN 33 -7.386 3.763 6.838 465 HE22 GLN 33 HE22 GLN 33 -7.807 0.718 7.657 466 HE22 GLN 33 HE22 GLN 33 -7.464 2.485 8.000 467 H PHE 34 H PHE 34 -2.583 2.022 4.929 468 H PHE 34 H PHE 34 -1.660 2.423 4.436 469 HA PHE 34 HA PHE 34 -2.471 1.298 2.122 470 HA PHE 34 HA PHE 34 -2.334 1.208 1.871 471 HB2 PHE 34 HB2 PHE 34 -0.806 0.568 4.525 472 HB2 PHE 34 HB2 PHE 34 -0.046 0.282 3.561 473 HB3 PHE 34 HB3 PHE 34 -0.588 -0.221 2.967 474 HB3 PHE 34 HB3 PHE 34 -0.175 0.367 1.808 475 HD1 PHE 34 HD1 PHE 34 -0.332 1.462 0.935 476 HD1 PHE 34 HD1 PHE 34 -0.263 2.732 0.772 477 HD2 PHE 34 HD2 PHE 34 0.504 2.387 5.005 478 HD2 PHE 34 HD2 PHE 34 1.119 1.910 4.713 479 HE1 PHE 34 HE1 PHE 34 1.144 3.293 0.211 480 HE1 PHE 34 HE1 PHE 34 0.962 4.864 0.782 481 HE2 PHE 34 HE2 PHE 34 1.979 4.220 4.287 482 HE2 PHE 34 HE2 PHE 34 2.346 4.042 4.732 483 HZ PHE 34 HZ PHE 34 2.301 4.675 1.889 484 HZ PHE 34 HZ PHE 34 2.267 5.524 2.765 485 H GLU 35 H GLU 35 -3.454 -0.100 5.190 486 H GLU 35 H GLU 35 -4.197 0.776 3.932 487 HA GLU 35 HA GLU 35 -3.896 -2.727 4.124 488 HA GLU 35 HA GLU 35 -4.168 -2.123 4.000 489 HB2 GLU 35 HB2 GLU 35 -5.093 -1.637 6.663 490 HB2 GLU 35 HB2 GLU 35 -3.855 -0.423 6.428 491 HB3 GLU 35 HB3 GLU 35 -4.700 -3.306 6.274 492 HB3 GLU 35 HB3 GLU 35 -4.883 -1.843 6.547 493 HG2 GLU 35 HG2 GLU 35 -2.927 -2.874 7.589 494 HG2 GLU 35 HG2 GLU 35 -3.085 -3.076 6.888 495 HG3 GLU 35 HG3 GLU 35 -2.260 -2.248 6.083 496 HG3 GLU 35 HG3 GLU 35 -2.533 -2.681 5.260 497 H ARG 36 H ARG 36 -6.178 -3.713 4.579 498 H ARG 36 H ARG 36 -6.138 -2.841 3.537 499 HA ARG 36 HA ARG 36 -7.992 -2.360 2.825 500 HA ARG 36 HA ARG 36 -8.308 -1.216 2.996 501 HB2 ARG 36 HB2 ARG 36 -7.956 -4.728 2.679 502 HB2 ARG 36 HB2 ARG 36 -8.000 -3.581 2.236 503 HB3 ARG 36 HB3 ARG 36 -8.161 -4.913 4.416 504 HB3 ARG 36 HB3 ARG 36 -8.460 -4.112 3.848 505 HG2 ARG 36 HG2 ARG 36 -10.435 -4.075 4.259 506 HG2 ARG 36 HG2 ARG 36 -10.577 -2.604 3.339 507 HG3 ARG 36 HG3 ARG 36 -10.234 -3.823 2.524 508 HG3 ARG 36 HG3 ARG 36 -10.122 -2.971 1.673 509 HD2 ARG 36 HD2 ARG 36 -9.647 -6.333 2.455 510 HD2 ARG 36 HD2 ARG 36 -10.423 -5.096 3.782 511 HD3 ARG 36 HD3 ARG 36 -10.390 -6.397 4.054 512 HD3 ARG 36 HD3 ARG 36 -11.770 -4.553 2.782 513 HE ARG 36 HE ARG 36 -12.449 -6.164 3.071 514 HE ARG 36 HE ARG 36 -9.540 -5.285 1.184 515 HH11 ARG 36 HH11 ARG 36 -9.971 -5.380 0.756 516 HH11 ARG 36 HH11 ARG 36 -12.157 -6.611 3.060 517 HH12 ARG 36 HH12 ARG 36 -11.066 -5.294 -0.583 518 HH12 ARG 36 HH12 ARG 36 -12.237 -8.080 2.147 519 HH21 ARG 36 HH21 ARG 36 -13.901 -6.051 1.316 520 HH21 ARG 36 HH21 ARG 36 -9.638 -7.218 -0.025 521 HH22 ARG 36 HH22 ARG 36 -13.301 -5.674 -0.264 522 HH22 ARG 36 HH22 ARG 36 -10.804 -8.426 0.394 523 HA PRO 37 HA PRO 37 -9.842 0.004 6.148 524 HA PRO 37 HA PRO 37 -9.424 -0.220 7.236 525 HB2 PRO 37 HB2 PRO 37 -11.498 1.432 4.537 526 HB2 PRO 37 HB2 PRO 37 -11.236 1.681 6.552 527 HB3 PRO 37 HB3 PRO 37 -9.777 1.801 4.718 528 HB3 PRO 37 HB3 PRO 37 -9.495 1.978 6.567 529 HG2 PRO 37 HG2 PRO 37 -11.172 0.287 2.544 530 HG2 PRO 37 HG2 PRO 37 -11.290 1.353 4.255 531 HG3 PRO 37 HG3 PRO 37 -9.890 1.504 2.415 532 HG3 PRO 37 HG3 PRO 37 -9.984 2.547 4.366 533 HD2 PRO 37 HD2 PRO 37 -9.398 -1.152 2.241 534 HD2 PRO 37 HD2 PRO 37 -9.661 0.143 3.159 535 HD3 PRO 37 HD3 PRO 37 -8.229 -0.008 2.928 536 HD3 PRO 37 HD3 PRO 37 -8.341 0.971 4.013 537 H SER 38 H SER 38 -11.324 -0.913 7.412 538 H SER 38 H SER 38 -11.327 -0.436 8.509 539 HA SER 38 HA SER 38 -13.319 -2.693 6.441 540 HA SER 38 HA SER 38 -13.420 -2.056 7.218 541 HB2 SER 38 HB2 SER 38 -14.124 -2.691 8.799 542 HB2 SER 38 HB2 SER 38 -11.816 -2.839 9.259 543 HB3 SER 38 HB3 SER 38 -12.392 -2.995 8.667 544 HB3 SER 38 HB3 SER 38 -13.166 -2.155 10.163 545 HG SER 38 HG SER 38 -12.742 -1.479 10.277 546 HG SER 38 HG SER 38 -13.588 -3.967 8.044 547 H GLY 39 H GLY 39 -13.878 0.219 8.418 548 H GLY 39 H GLY 39 -15.603 -1.814 8.000 549 HA2 GLY 39 HA2 GLY 39 -15.240 2.060 7.730 550 HA2 GLY 39 HA2 GLY 39 -16.424 0.867 8.190 551 HA3 GLY 39 HA3 GLY 39 -16.010 1.006 6.554 552 HA3 GLY 39 HA3 GLY 39 -17.441 -0.534 8.493 Start of MODEL 19 1 H1 SER 5 H SER 5 -12.586 -2.757 -7.573 2 H1 SER 5 H SER 5 -11.123 -2.884 -7.348 3 HA SER 5 HA SER 5 -15.021 -2.677 -6.603 4 HA SER 5 HA SER 5 -13.621 -1.526 -6.635 5 HB2 SER 5 HB2 SER 5 -15.133 -5.237 -6.738 6 HB2 SER 5 HB2 SER 5 -13.165 -4.032 -8.271 7 HB3 SER 5 HB3 SER 5 -14.586 -4.384 -8.182 8 HB3 SER 5 HB3 SER 5 -14.725 -3.258 -7.996 9 HG SER 5 HG SER 5 -12.760 -5.391 -8.022 10 HG SER 5 HG SER 5 -13.735 -2.670 -10.006 11 H LYS 6 H LYS 6 -12.949 -5.125 -5.069 12 H LYS 6 H LYS 6 -12.000 -2.496 -4.536 13 HA LYS 6 HA LYS 6 -14.508 -5.251 -2.719 14 HA LYS 6 HA LYS 6 -13.817 -4.505 -3.407 15 HB2 LYS 6 HB2 LYS 6 -12.524 -6.509 -1.795 16 HB2 LYS 6 HB2 LYS 6 -10.813 -4.588 -3.080 17 HB3 LYS 6 HB3 LYS 6 -13.200 -7.154 -3.286 18 HB3 LYS 6 HB3 LYS 6 -11.973 -5.730 -2.415 19 HG2 LYS 6 HG2 LYS 6 -11.289 -6.876 -4.384 20 HG2 LYS 6 HG2 LYS 6 -12.480 -6.605 -4.551 21 HG3 LYS 6 HG3 LYS 6 -11.094 -5.226 -3.787 22 HG3 LYS 6 HG3 LYS 6 -11.641 -5.284 -5.368 23 HD2 LYS 6 HD2 LYS 6 -9.295 -6.168 -2.763 24 HD2 LYS 6 HD2 LYS 6 -10.050 -6.919 -5.520 25 HD3 LYS 6 HD3 LYS 6 -10.512 -6.545 -1.543 26 HD3 LYS 6 HD3 LYS 6 -9.588 -6.189 -3.981 27 HE2 LYS 6 HE2 LYS 6 -10.813 -8.761 -2.530 28 HE2 LYS 6 HE2 LYS 6 -9.807 -8.186 -3.030 29 HE3 LYS 6 HE3 LYS 6 -9.610 -8.381 -3.762 30 HE3 LYS 6 HE3 LYS 6 -11.535 -8.112 -3.369 31 HZ1 LYS 6 HZ1 LYS 6 -9.245 -9.118 -0.983 32 HZ1 LYS 6 HZ1 LYS 6 -11.067 -9.105 -5.557 33 HZ2 LYS 6 HZ2 LYS 6 -8.240 -7.872 -1.531 34 HZ2 LYS 6 HZ2 LYS 6 -10.629 -10.120 -4.277 35 HZ3 LYS 6 HZ3 LYS 6 -8.231 -9.372 -2.313 36 HZ3 LYS 6 HZ3 LYS 6 -9.439 -9.268 -5.125 37 H LEU 7 H LEU 7 -14.758 -3.196 -1.851 38 H LEU 7 H LEU 7 -13.783 -1.674 -3.050 39 HA LEU 7 HA LEU 7 -12.768 -2.373 -0.009 40 HA LEU 7 HA LEU 7 -12.979 -1.503 -0.219 41 HB2 LEU 7 HB2 LEU 7 -12.258 -0.181 -0.921 42 HB2 LEU 7 HB2 LEU 7 -12.809 0.465 -2.447 43 HB3 LEU 7 HB3 LEU 7 -11.736 -1.459 -2.016 44 HB3 LEU 7 HB3 LEU 7 -13.098 1.062 -0.814 45 HG LEU 7 HG LEU 7 -14.116 -0.931 -3.107 46 HG LEU 7 HG LEU 7 -11.005 0.178 -0.052 47 HD11 LEU 7 HD11 LEU 7 -13.377 1.483 -1.523 48 HD11 LEU 7 HD11 LEU 7 -9.486 -0.839 -1.903 49 HD12 LEU 7 HD12 LEU 7 -14.963 0.782 -1.839 50 HD12 LEU 7 HD12 LEU 7 -11.016 -1.223 -2.688 51 HD13 LEU 7 HD13 LEU 7 -14.131 1.684 -3.105 52 HD13 LEU 7 HD13 LEU 7 -10.668 -1.857 -1.079 53 HD21 LEU 7 HD21 LEU 7 -12.872 0.679 -4.608 54 HD21 LEU 7 HD21 LEU 7 -9.822 1.227 -2.445 55 HD22 LEU 7 HD22 LEU 7 -12.137 -0.911 -4.399 56 HD22 LEU 7 HD22 LEU 7 -9.949 1.960 -0.847 57 HD23 LEU 7 HD23 LEU 7 -11.493 0.480 -3.527 58 HD23 LEU 7 HD23 LEU 7 -11.254 2.163 -2.015 59 HA PRO 8 HA PRO 8 -16.287 -0.600 1.922 60 HA PRO 8 HA PRO 8 -17.135 -0.643 0.898 61 HB2 PRO 8 HB2 PRO 8 -15.146 1.367 3.406 62 HB2 PRO 8 HB2 PRO 8 -16.822 1.191 2.874 63 HB3 PRO 8 HB3 PRO 8 -14.986 -0.350 3.798 64 HB3 PRO 8 HB3 PRO 8 -16.415 -0.517 3.077 65 HG2 PRO 8 HG2 PRO 8 -13.063 1.455 2.384 66 HG2 PRO 8 HG2 PRO 8 -14.616 1.802 2.485 67 HG3 PRO 8 HG3 PRO 8 -12.741 0.237 3.632 68 HG3 PRO 8 HG3 PRO 8 -14.368 0.454 3.609 69 HD2 PRO 8 HD2 PRO 8 -12.312 -0.226 1.000 70 HD2 PRO 8 HD2 PRO 8 -13.218 0.538 1.160 71 HD3 PRO 8 HD3 PRO 8 -12.809 -1.506 2.127 72 HD3 PRO 8 HD3 PRO 8 -13.703 -0.983 1.936 73 HA PRO 9 HA PRO 9 -17.728 2.901 -0.324 74 HA PRO 9 HA PRO 9 -18.799 2.977 -0.962 75 HB2 PRO 9 HB2 PRO 9 -19.481 3.974 1.451 76 HB2 PRO 9 HB2 PRO 9 -20.746 3.766 0.756 77 HB3 PRO 9 HB3 PRO 9 -19.799 2.472 0.571 78 HB3 PRO 9 HB3 PRO 9 -20.882 2.318 -0.249 79 HG2 PRO 9 HG2 PRO 9 -18.813 2.858 3.373 80 HG2 PRO 9 HG2 PRO 9 -20.112 2.557 2.635 81 HG3 PRO 9 HG3 PRO 9 -20.028 1.719 2.761 82 HG3 PRO 9 HG3 PRO 9 -21.185 1.380 1.858 83 HD2 PRO 9 HD2 PRO 9 -17.477 0.982 3.290 84 HD2 PRO 9 HD2 PRO 9 -18.622 0.804 2.508 85 HD3 PRO 9 HD3 PRO 9 -18.437 0.237 1.994 86 HD3 PRO 9 HD3 PRO 9 -19.432 0.091 1.098 87 H GLY 10 H GLY 10 -17.280 5.043 -0.633 88 H GLY 10 H GLY 10 -17.381 4.646 -1.063 89 HA2 GLY 10 HA2 GLY 10 -16.678 7.231 -0.046 90 HA2 GLY 10 HA2 GLY 10 -17.394 7.029 -0.243 91 HA3 GLY 10 HA3 GLY 10 -16.383 6.684 1.598 92 HA3 GLY 10 HA3 GLY 10 -17.105 6.333 1.345 93 H TRP 11 H TRP 11 -14.762 4.402 0.348 94 H TRP 11 H TRP 11 -15.285 4.289 0.368 95 HA TRP 11 HA TRP 11 -12.266 5.918 0.238 96 HA TRP 11 HA TRP 11 -12.901 5.935 0.260 97 HB2 TRP 11 HB2 TRP 11 -12.767 2.949 0.528 98 HB2 TRP 11 HB2 TRP 11 -13.405 2.994 0.637 99 HB3 TRP 11 HB3 TRP 11 -11.179 3.710 0.542 100 HB3 TRP 11 HB3 TRP 11 -11.781 3.607 0.333 101 HD1 TRP 11 HD1 TRP 11 -14.389 3.483 2.656 102 HD1 TRP 11 HD1 TRP 11 -14.608 3.860 2.948 103 HE1 TRP 11 HE1 TRP 11 -13.797 4.089 5.089 104 HE1 TRP 11 HE1 TRP 11 -13.558 4.521 5.203 105 HE3 TRP 11 HE3 TRP 11 -9.527 4.914 1.978 106 HE3 TRP 11 HE3 TRP 11 -9.796 4.644 1.407 107 HZ2 TRP 11 HZ2 TRP 11 -11.566 5.049 6.527 108 HZ2 TRP 11 HZ2 TRP 11 -11.028 5.278 6.197 109 HZ3 TRP 11 HZ3 TRP 11 -8.234 5.663 3.933 110 HZ3 TRP 11 HZ3 TRP 11 -8.123 5.336 3.072 111 HH2 TRP 11 HH2 TRP 11 -9.234 5.728 6.160 112 HH2 TRP 11 HH2 TRP 11 -8.728 5.646 5.418 113 H GLU 12 H GLU 12 -10.693 5.556 -1.392 114 H GLU 12 H GLU 12 -11.216 5.632 -1.306 115 HA GLU 12 HA GLU 12 -11.666 4.246 -3.833 116 HA GLU 12 HA GLU 12 -12.176 4.582 -3.886 117 HB2 GLU 12 HB2 GLU 12 -11.912 6.844 -3.754 118 HB2 GLU 12 HB2 GLU 12 -10.433 7.018 -3.476 119 HB3 GLU 12 HB3 GLU 12 -10.174 6.839 -4.016 120 HB3 GLU 12 HB3 GLU 12 -10.986 6.386 -5.021 121 HG2 GLU 12 HG2 GLU 12 -10.511 5.506 -6.057 122 HG2 GLU 12 HG2 GLU 12 -13.255 6.816 -3.364 123 HG3 GLU 12 HG3 GLU 12 -12.253 5.606 -5.808 124 HG3 GLU 12 HG3 GLU 12 -12.249 8.263 -3.329 125 H LYS 13 H LYS 13 -10.250 2.776 -4.468 126 H LYS 13 H LYS 13 -10.738 3.439 -5.122 127 HA LYS 13 HA LYS 13 -7.576 2.718 -3.417 128 HA LYS 13 HA LYS 13 -8.271 2.632 -3.766 129 HB2 LYS 13 HB2 LYS 13 -8.845 0.649 -3.736 130 HB2 LYS 13 HB2 LYS 13 -9.684 0.793 -4.379 131 HB3 LYS 13 HB3 LYS 13 -8.928 0.953 -5.466 132 HB3 LYS 13 HB3 LYS 13 -9.847 1.394 -6.024 133 HG2 LYS 13 HG2 LYS 13 -6.250 0.822 -4.188 134 HG2 LYS 13 HG2 LYS 13 -7.088 0.881 -5.178 135 HG3 LYS 13 HG3 LYS 13 -7.143 -0.681 -4.436 136 HG3 LYS 13 HG3 LYS 13 -8.122 -0.546 -5.249 137 HD2 LYS 13 HD2 LYS 13 -7.403 0.714 -6.835 138 HD2 LYS 13 HD2 LYS 13 -8.814 0.505 -7.572 139 HD3 LYS 13 HD3 LYS 13 -5.724 0.959 -6.348 140 HD3 LYS 13 HD3 LYS 13 -7.232 1.274 -7.431 141 HE2 LYS 13 HE2 LYS 13 -5.312 -1.047 -7.227 142 HE2 LYS 13 HE2 LYS 13 -6.596 -1.263 -6.774 143 HE3 LYS 13 HE3 LYS 13 -6.167 -1.720 -5.840 144 HE3 LYS 13 HE3 LYS 13 -7.943 -1.555 -7.874 145 HZ1 LYS 13 HZ1 LYS 13 -6.950 -2.484 -8.080 146 HZ1 LYS 13 HZ1 LYS 13 -6.804 -0.189 -9.534 147 HZ2 LYS 13 HZ2 LYS 13 -7.541 -0.923 -8.341 148 HZ2 LYS 13 HZ2 LYS 13 -5.870 -1.523 -9.078 149 HZ3 LYS 13 HZ3 LYS 13 -8.155 -1.859 -7.073 150 HZ3 LYS 13 HZ3 LYS 13 -5.496 0.016 -8.481 151 H ARG 14 H ARG 14 -5.838 3.626 -4.285 152 H ARG 14 H ARG 14 -6.653 3.991 -4.272 153 HA ARG 14 HA ARG 14 -5.864 4.239 -7.166 154 HA ARG 14 HA ARG 14 -6.224 4.612 -7.121 155 HB2 ARG 14 HB2 ARG 14 -4.391 5.911 -5.146 156 HB2 ARG 14 HB2 ARG 14 -5.156 6.174 -4.768 157 HB3 ARG 14 HB3 ARG 14 -4.833 6.321 -6.798 158 HB3 ARG 14 HB3 ARG 14 -5.125 6.640 -6.463 159 HG2 ARG 14 HG2 ARG 14 -7.260 5.843 -5.551 160 HG2 ARG 14 HG2 ARG 14 -7.824 6.148 -5.687 161 HG3 ARG 14 HG3 ARG 14 -6.306 6.700 -4.340 162 HG3 ARG 14 HG3 ARG 14 -7.072 7.241 -4.523 163 HD2 ARG 14 HD2 ARG 14 -5.848 8.481 -5.929 164 HD2 ARG 14 HD2 ARG 14 -7.880 8.702 -6.127 165 HD3 ARG 14 HD3 ARG 14 -6.728 7.608 -7.185 166 HD3 ARG 14 HD3 ARG 14 -6.203 8.481 -6.626 167 HE ARG 14 HE ARG 14 -8.280 8.177 -4.826 168 HE ARG 14 HE ARG 14 -6.930 7.388 -8.515 169 HH11 ARG 14 HH11 ARG 14 -7.242 9.333 -7.941 170 HH11 ARG 14 HH11 ARG 14 -9.583 7.816 -6.301 171 HH12 ARG 14 HH12 ARG 14 -8.580 10.416 -8.131 172 HH12 ARG 14 HH12 ARG 14 -10.789 7.330 -7.447 173 HH21 ARG 14 HH21 ARG 14 -10.048 9.601 -5.063 174 HH21 ARG 14 HH21 ARG 14 -8.508 6.746 -10.034 175 HH22 ARG 14 HH22 ARG 14 -10.174 10.569 -6.493 176 HH22 ARG 14 HH22 ARG 14 -10.176 6.721 -9.570 177 H MET 15 H MET 15 -3.816 4.212 -8.233 178 H MET 15 H MET 15 -3.904 4.924 -7.719 179 HA MET 15 HA MET 15 -1.727 2.720 -6.788 180 HA MET 15 HA MET 15 -2.114 3.187 -6.161 181 HB2 MET 15 HB2 MET 15 -2.922 1.236 -8.338 182 HB2 MET 15 HB2 MET 15 -3.243 2.463 -8.587 183 HB3 MET 15 HB3 MET 15 -2.577 2.337 -9.665 184 HB3 MET 15 HB3 MET 15 -1.647 3.049 -9.035 185 HG2 MET 15 HG2 MET 15 -0.635 1.351 -10.024 186 HG2 MET 15 HG2 MET 15 -0.873 1.042 -8.516 187 HG3 MET 15 HG3 MET 15 -0.134 1.662 -8.364 188 HG3 MET 15 HG3 MET 15 -1.182 1.444 -6.829 189 HE1 MET 15 HE1 MET 15 -3.322 -0.728 -9.115 190 HE1 MET 15 HE1 MET 15 -2.623 -1.737 -9.327 191 HE2 MET 15 HE2 MET 15 -2.362 -0.505 -10.577 192 HE2 MET 15 HE2 MET 15 -3.672 -0.441 -9.903 193 HE3 MET 15 HE3 MET 15 -2.403 -2.078 -9.780 194 HE3 MET 15 HE3 MET 15 -1.922 -0.220 -9.891 195 H SER 16 H SER 16 0.014 3.951 -6.589 196 H SER 16 H SER 16 0.048 3.750 -6.163 197 HA SER 16 HA SER 16 0.476 6.283 -8.133 198 HA SER 16 HA SER 16 0.621 6.427 -7.230 199 HB2 SER 16 HB2 SER 16 1.394 5.375 -5.733 200 HB2 SER 16 HB2 SER 16 1.539 4.908 -4.840 201 HB3 SER 16 HB3 SER 16 2.806 5.109 -6.754 202 HB3 SER 16 HB3 SER 16 2.691 6.018 -5.584 203 HG SER 16 HG SER 16 1.439 7.563 -6.857 204 HG SER 16 HG SER 16 0.832 6.655 -3.906 205 H ARG 17 H ARG 17 2.673 6.638 -9.218 206 H ARG 17 H ARG 17 1.822 6.556 -8.994 207 HA ARG 17 HA ARG 17 3.012 4.518 -11.200 208 HA ARG 17 HA ARG 17 3.032 4.380 -10.261 209 HB2 ARG 17 HB2 ARG 17 4.050 7.357 -11.191 210 HB2 ARG 17 HB2 ARG 17 3.885 5.927 -11.837 211 HB3 ARG 17 HB3 ARG 17 4.189 6.218 -12.523 212 HB3 ARG 17 HB3 ARG 17 2.355 6.599 -11.289 213 HG2 ARG 17 HG2 ARG 17 2.034 6.479 -13.157 214 HG2 ARG 17 HG2 ARG 17 4.079 7.753 -9.546 215 HG3 ARG 17 HG3 ARG 17 1.466 6.747 -11.507 216 HG3 ARG 17 HG3 ARG 17 5.084 7.624 -10.992 217 HD2 ARG 17 HD2 ARG 17 2.998 8.727 -13.190 218 HD2 ARG 17 HD2 ARG 17 3.893 9.757 -10.915 219 HD3 ARG 17 HD3 ARG 17 1.262 8.766 -12.880 220 HD3 ARG 17 HD3 ARG 17 3.383 8.782 -12.292 221 HE ARG 17 HE ARG 17 2.897 8.784 -10.507 222 HE ARG 17 HE ARG 17 1.553 8.150 -10.427 223 HH11 ARG 17 HH11 ARG 17 1.337 10.710 -12.953 224 HH11 ARG 17 HH11 ARG 17 2.767 11.199 -11.590 225 HH12 ARG 17 HH12 ARG 17 1.270 12.135 -11.973 226 HH12 ARG 17 HH12 ARG 17 1.285 12.049 -11.298 227 HH21 ARG 17 HH21 ARG 17 2.814 10.657 -9.206 228 HH21 ARG 17 HH21 ARG 17 -0.404 9.257 -10.038 229 HH22 ARG 17 HH22 ARG 17 2.110 12.106 -9.842 230 HH22 ARG 17 HH22 ARG 17 -0.517 10.943 -10.415 231 H ASN 18 H ASN 18 4.100 4.168 -8.556 232 H ASN 18 H ASN 18 5.539 4.936 -11.018 233 HA ASN 18 HA ASN 18 6.846 3.616 -9.312 234 HA ASN 18 HA ASN 18 7.744 4.908 -10.430 235 HB2 ASN 18 HB2 ASN 18 6.124 5.805 -7.541 236 HB2 ASN 18 HB2 ASN 18 6.951 6.897 -8.944 237 HB3 ASN 18 HB3 ASN 18 7.176 4.642 -6.743 238 HB3 ASN 18 HB3 ASN 18 7.068 5.736 -7.623 239 HD21 ASN 18 HD21 ASN 18 7.337 7.451 -8.132 240 HD21 ASN 18 HD21 ASN 18 9.112 4.809 -7.157 241 HD22 ASN 18 HD22 ASN 18 8.840 7.348 -8.976 242 HD22 ASN 18 HD22 ASN 18 10.570 5.625 -7.598 243 H SER 19 H SER 19 7.101 1.546 -8.828 244 H SER 19 H SER 19 6.103 4.074 -7.376 245 HA SER 19 HA SER 19 7.093 -0.434 -7.704 246 HA SER 19 HA SER 19 7.646 1.585 -7.304 247 HB2 SER 19 HB2 SER 19 7.194 1.571 -5.652 248 HB2 SER 19 HB2 SER 19 7.040 1.484 -4.935 249 HB3 SER 19 HB3 SER 19 6.180 0.235 -5.106 250 HB3 SER 19 HB3 SER 19 7.748 3.052 -5.319 251 HG SER 19 HG SER 19 7.898 -0.951 -4.920 252 HG SER 19 HG SER 19 5.294 3.512 -5.695 253 H GLY 20 H GLY 20 4.547 1.064 -8.700 254 H GLY 20 H GLY 20 4.399 2.814 -7.559 255 HA2 GLY 20 HA2 GLY 20 2.271 0.697 -8.759 256 HA2 GLY 20 HA2 GLY 20 2.465 1.738 -8.209 257 HA3 GLY 20 HA3 GLY 20 2.752 -0.991 -8.663 258 HA3 GLY 20 HA3 GLY 20 3.416 0.280 -8.443 259 H ARG 21 H ARG 21 3.242 1.408 -6.134 260 H ARG 21 H ARG 21 2.882 2.223 -5.518 261 HA ARG 21 HA ARG 21 2.197 -0.238 -4.115 262 HA ARG 21 HA ARG 21 1.999 -0.223 -4.161 263 HB2 ARG 21 HB2 ARG 21 2.996 2.629 -4.308 264 HB2 ARG 21 HB2 ARG 21 3.500 2.164 -3.355 265 HB3 ARG 21 HB3 ARG 21 2.043 2.129 -2.916 266 HB3 ARG 21 HB3 ARG 21 2.264 1.683 -2.202 267 HG2 ARG 21 HG2 ARG 21 3.723 0.860 -2.044 268 HG2 ARG 21 HG2 ARG 21 3.399 -0.134 -1.550 269 HG3 ARG 21 HG3 ARG 21 4.431 0.513 -3.623 270 HG3 ARG 21 HG3 ARG 21 3.919 -0.521 -3.192 271 HD2 ARG 21 HD2 ARG 21 5.909 1.966 -2.397 272 HD2 ARG 21 HD2 ARG 21 5.872 0.006 -1.942 273 HD3 ARG 21 HD3 ARG 21 5.201 2.863 -3.741 274 HD3 ARG 21 HD3 ARG 21 5.558 1.367 -3.018 275 HE ARG 21 HE ARG 21 4.603 3.224 -0.900 276 HE ARG 21 HE ARG 21 5.186 1.326 -0.110 277 HH11 ARG 21 HH11 ARG 21 4.120 4.168 -4.217 278 HH11 ARG 21 HH11 ARG 21 5.175 3.061 -3.130 279 HH12 ARG 21 HH12 ARG 21 3.381 5.681 -3.815 280 HH12 ARG 21 HH12 ARG 21 5.150 4.623 -2.381 281 HH21 ARG 21 HH21 ARG 21 3.632 5.214 -0.358 282 HH21 ARG 21 HH21 ARG 21 5.151 3.378 0.886 283 HH22 ARG 21 HH22 ARG 21 3.106 6.277 -1.620 284 HH22 ARG 21 HH22 ARG 21 5.138 4.803 -0.098 285 H VAL 22 H VAL 22 0.226 -0.382 -3.148 286 H VAL 22 H VAL 22 -0.153 -0.413 -4.515 287 HA VAL 22 HA VAL 22 -1.954 1.216 -4.330 288 HA VAL 22 HA VAL 22 -2.042 1.553 -4.855 289 HB VAL 22 HB VAL 22 -2.072 -1.652 -3.388 290 HB VAL 22 HB VAL 22 -2.405 -0.922 -5.108 291 HG11 VAL 22 HG11 VAL 22 -4.389 -1.621 -4.158 292 HG11 VAL 22 HG11 VAL 22 -2.542 -2.333 -3.366 293 HG12 VAL 22 HG12 VAL 22 -4.132 -0.437 -2.876 294 HG12 VAL 22 HG12 VAL 22 -1.623 -1.089 -2.517 295 HG13 VAL 22 HG13 VAL 22 -4.241 0.091 -4.555 296 HG13 VAL 22 HG13 VAL 22 -3.378 -1.161 -2.347 297 HG21 VAL 22 HG21 VAL 22 -2.234 -2.301 -5.620 298 HG21 VAL 22 HG21 VAL 22 -4.289 0.482 -5.371 299 HG22 VAL 22 HG22 VAL 22 -2.620 -0.670 -6.167 300 HG22 VAL 22 HG22 VAL 22 -4.800 -0.816 -4.291 301 HG23 VAL 22 HG23 VAL 22 -0.982 -1.060 -5.645 302 HG23 VAL 22 HG23 VAL 22 -4.407 0.775 -3.636 303 H TYR 23 H TYR 23 -3.499 2.045 -2.974 304 H TYR 23 H TYR 23 -3.162 2.925 -3.587 305 HA TYR 23 HA TYR 23 -3.532 1.340 -0.167 306 HA TYR 23 HA TYR 23 -2.953 2.650 -0.675 307 HB2 TYR 23 HB2 TYR 23 -3.136 3.642 0.613 308 HB2 TYR 23 HB2 TYR 23 -2.431 5.009 -0.407 309 HB3 TYR 23 HB3 TYR 23 -1.730 2.988 -0.223 310 HB3 TYR 23 HB3 TYR 23 -1.211 4.246 -1.420 311 HD1 TYR 23 HD1 TYR 23 -1.295 3.707 -2.603 312 HD1 TYR 23 HD1 TYR 23 -1.056 4.773 -3.794 313 HD2 TYR 23 HD2 TYR 23 -4.183 5.619 -0.132 314 HD2 TYR 23 HD2 TYR 23 -3.963 6.650 -1.320 315 HE1 TYR 23 HE1 TYR 23 -1.276 5.657 -4.099 316 HE1 TYR 23 HE1 TYR 23 -1.435 6.467 -5.537 317 HE2 TYR 23 HE2 TYR 23 -4.172 7.575 -1.622 318 HE2 TYR 23 HE2 TYR 23 -4.351 8.349 -3.055 319 HH TYR 23 HH TYR 23 -3.229 8.536 -3.392 320 HH TYR 23 HH TYR 23 -2.386 9.067 -5.397 321 H TYR 24 H TYR 24 -5.124 2.975 0.986 322 H TYR 24 H TYR 24 -4.826 2.981 0.350 323 HA TYR 24 HA TYR 24 -7.424 3.352 -0.820 324 HA TYR 24 HA TYR 24 -7.100 3.929 -1.231 325 HB2 TYR 24 HB2 TYR 24 -7.382 2.460 2.068 326 HB2 TYR 24 HB2 TYR 24 -7.245 2.642 1.490 327 HB3 TYR 24 HB3 TYR 24 -8.848 2.916 1.207 328 HB3 TYR 24 HB3 TYR 24 -8.510 2.763 0.273 329 HD1 TYR 24 HD1 TYR 24 -6.276 0.359 1.625 330 HD1 TYR 24 HD1 TYR 24 -6.561 0.472 1.819 331 HD2 TYR 24 HD2 TYR 24 -9.730 1.500 -0.586 332 HD2 TYR 24 HD2 TYR 24 -7.496 1.739 -2.133 333 HE1 TYR 24 HE1 TYR 24 -6.490 -1.941 0.784 334 HE1 TYR 24 HE1 TYR 24 -5.946 -1.752 0.968 335 HE2 TYR 24 HE2 TYR 24 -9.954 -0.800 -1.431 336 HE2 TYR 24 HE2 TYR 24 -6.883 -0.481 -2.996 337 HH TYR 24 HH TYR 24 -9.157 -2.867 -1.373 338 HH TYR 24 HH TYR 24 -6.434 -3.171 -0.996 339 H PHE 25 H PHE 25 -8.144 5.362 -0.995 340 H PHE 25 H PHE 25 -8.050 5.823 -0.849 341 HA PHE 25 HA PHE 25 -7.455 7.287 1.128 342 HA PHE 25 HA PHE 25 -7.782 7.103 1.755 343 HB2 PHE 25 HB2 PHE 25 -6.297 7.679 -1.047 344 HB2 PHE 25 HB2 PHE 25 -6.193 8.522 1.064 345 HB3 PHE 25 HB3 PHE 25 -7.871 7.880 -1.809 346 HB3 PHE 25 HB3 PHE 25 -6.294 7.912 -0.585 347 HD1 PHE 25 HD1 PHE 25 -6.115 9.180 1.220 348 HD1 PHE 25 HD1 PHE 25 -7.574 9.054 -2.255 349 HD2 PHE 25 HD2 PHE 25 -8.486 10.045 -2.206 350 HD2 PHE 25 HD2 PHE 25 -7.522 10.441 1.769 351 HE1 PHE 25 HE1 PHE 25 -6.085 11.569 1.808 352 HE1 PHE 25 HE1 PHE 25 -8.586 11.178 -2.977 353 HE2 PHE 25 HE2 PHE 25 -8.461 12.436 -1.624 354 HE2 PHE 25 HE2 PHE 25 -8.537 12.565 1.054 355 HZ PHE 25 HZ PHE 25 -7.259 13.201 0.384 356 HZ PHE 25 HZ PHE 25 -9.070 12.935 -1.323 357 H ASN 26 H ASN 26 -9.083 8.288 2.122 358 H ASN 26 H ASN 26 -9.638 8.011 2.362 359 HA ASN 26 HA ASN 26 -11.795 7.874 1.089 360 HA ASN 26 HA ASN 26 -11.692 8.456 0.302 361 HB2 ASN 26 HB2 ASN 26 -11.160 7.195 3.453 362 HB2 ASN 26 HB2 ASN 26 -12.292 6.748 1.957 363 HB3 ASN 26 HB3 ASN 26 -11.027 8.913 3.819 364 HB3 ASN 26 HB3 ASN 26 -12.025 7.902 3.260 365 HD21 ASN 26 HD21 ASN 26 -12.766 7.357 5.206 366 HD21 ASN 26 HD21 ASN 26 -14.348 6.889 3.446 367 HD22 ASN 26 HD22 ASN 26 -14.391 7.761 4.784 368 HD22 ASN 26 HD22 ASN 26 -15.603 7.892 2.811 369 H HIS 27 H HIS 27 -12.941 9.490 0.253 370 H HIS 27 H HIS 27 -12.387 10.458 -0.060 371 HA HIS 27 HA HIS 27 -11.791 12.153 0.190 372 HA HIS 27 HA HIS 27 -11.206 12.703 1.142 373 HB2 HIS 27 HB2 HIS 27 -13.512 12.655 -1.451 374 HB2 HIS 27 HB2 HIS 27 -13.104 13.960 -0.005 375 HB3 HIS 27 HB3 HIS 27 -12.733 11.130 -1.860 376 HB3 HIS 27 HB3 HIS 27 -12.074 12.980 -1.045 377 HD1 HIS 27 HD1 HIS 27 -15.889 12.346 -0.125 378 HD1 HIS 27 HD1 HIS 27 -13.118 10.773 -1.998 379 HD2 HIS 27 HD2 HIS 27 -14.470 9.091 -2.284 380 HD2 HIS 27 HD2 HIS 27 -15.764 13.202 0.090 381 HE1 HIS 27 HE1 HIS 27 -17.878 10.844 -0.462 382 HE1 HIS 27 HE1 HIS 27 -15.411 9.919 -2.576 383 H ILE 28 H ILE 28 -13.800 10.508 2.245 384 H ILE 28 H ILE 28 -13.900 10.774 2.075 385 HA ILE 28 HA ILE 28 -15.478 12.810 2.898 386 HA ILE 28 HA ILE 28 -15.136 12.771 3.741 387 HB ILE 28 HB ILE 28 -15.499 10.071 4.166 388 HB ILE 28 HB ILE 28 -15.557 9.792 3.514 389 HG12 ILE 28 HG12 ILE 28 -17.006 11.187 1.806 390 HG12 ILE 28 HG12 ILE 28 -17.172 12.191 2.628 391 HG13 ILE 28 HG13 ILE 28 -16.051 9.710 1.889 392 HG13 ILE 28 HG13 ILE 28 -16.340 11.039 1.588 393 HG21 ILE 28 HG21 ILE 28 -17.894 11.792 4.126 394 HG21 ILE 28 HG21 ILE 28 -17.035 11.794 5.218 395 HG22 ILE 28 HG22 ILE 28 -17.277 10.731 5.392 396 HG22 ILE 28 HG22 ILE 28 -17.557 10.136 4.921 397 HG23 ILE 28 HG23 ILE 28 -16.567 12.328 5.156 398 HG23 ILE 28 HG23 ILE 28 -16.051 10.445 5.787 399 HD11 ILE 28 HD11 ILE 28 -18.375 9.144 1.837 400 HD11 ILE 28 HD11 ILE 28 -18.858 10.706 3.150 401 HD12 ILE 28 HD12 ILE 28 -17.739 8.774 3.439 402 HD12 ILE 28 HD12 ILE 28 -18.527 10.341 1.456 403 HD13 ILE 28 HD13 ILE 28 -18.712 10.221 3.191 404 HD13 ILE 28 HD13 ILE 28 -17.886 9.296 2.725 405 H THR 29 H THR 29 -13.058 10.690 4.389 406 H THR 29 H THR 29 -12.815 10.179 4.145 407 HA THR 29 HA THR 29 -12.837 12.593 6.623 408 HA THR 29 HA THR 29 -12.821 10.425 7.037 409 HB THR 29 HB THR 29 -11.603 10.768 7.797 410 HB THR 29 HB THR 29 -11.117 8.674 7.019 411 HG1 THR 29 HG1 THR 29 -11.666 8.692 6.876 412 HG1 THR 29 HG1 THR 29 -11.046 9.329 4.298 413 HG21 THR 29 HG21 THR 29 -14.436 10.451 6.893 414 HG21 THR 29 HG21 THR 29 -13.042 7.493 7.004 415 HG22 THR 29 HG22 THR 29 -13.809 10.878 8.485 416 HG22 THR 29 HG22 THR 29 -12.554 7.073 5.362 417 HG23 THR 29 HG23 THR 29 -13.700 9.215 7.911 418 HG23 THR 29 HG23 THR 29 -13.699 8.386 5.635 419 H ASN 30 H ASN 30 -11.495 12.188 3.735 420 H ASN 30 H ASN 30 -10.851 11.382 4.296 421 HA ASN 30 HA ASN 30 -9.458 12.556 2.775 422 HA ASN 30 HA ASN 30 -9.132 12.859 4.096 423 HB2 ASN 30 HB2 ASN 30 -8.663 14.310 5.046 424 HB2 ASN 30 HB2 ASN 30 -10.742 14.016 5.919 425 HB3 ASN 30 HB3 ASN 30 -8.584 14.611 3.312 426 HB3 ASN 30 HB3 ASN 30 -9.301 13.795 6.908 427 HD21 ASN 30 HD21 ASN 30 -11.049 14.328 2.419 428 HD21 ASN 30 HD21 ASN 30 -7.325 14.156 5.024 429 HD22 ASN 30 HD22 ASN 30 -12.141 15.421 3.191 430 HD22 ASN 30 HD22 ASN 30 -7.358 15.793 4.472 431 H ALA 31 H ALA 31 -9.611 10.353 4.716 432 H ALA 31 H ALA 31 -8.511 10.237 4.771 433 HA ALA 31 HA ALA 31 -6.899 10.337 5.831 434 HA ALA 31 HA ALA 31 -5.875 10.590 5.851 435 HB1 ALA 31 HB1 ALA 31 -9.305 8.604 6.334 436 HB1 ALA 31 HB1 ALA 31 -7.322 8.500 7.352 437 HB2 ALA 31 HB2 ALA 31 -7.701 8.225 6.959 438 HB2 ALA 31 HB2 ALA 31 -6.038 9.591 7.872 439 HB3 ALA 31 HB3 ALA 31 -8.508 9.715 7.448 440 HB3 ALA 31 HB3 ALA 31 -7.701 10.170 7.774 441 H SER 32 H SER 32 -5.416 8.707 5.355 442 H SER 32 H SER 32 -4.482 8.982 5.221 443 HA SER 32 HA SER 32 -6.085 6.946 3.099 444 HA SER 32 HA SER 32 -5.628 6.956 3.430 445 HB2 SER 32 HB2 SER 32 -4.446 7.747 1.761 446 HB2 SER 32 HB2 SER 32 -2.747 7.152 3.299 447 HB3 SER 32 HB3 SER 32 -4.527 9.180 2.789 448 HB3 SER 32 HB3 SER 32 -3.940 7.419 2.029 449 HG SER 32 HG SER 32 -2.520 8.739 3.209 450 HG SER 32 HG SER 32 -4.192 9.550 2.828 451 H GLN 33 H GLN 33 -4.882 5.006 2.981 452 H GLN 33 H GLN 33 -4.718 4.809 3.428 453 HA GLN 33 HA GLN 33 -2.839 4.315 4.808 454 HA GLN 33 HA GLN 33 -3.237 4.019 5.812 455 HB2 GLN 33 HB2 GLN 33 -4.034 2.777 6.253 456 HB2 GLN 33 HB2 GLN 33 -5.757 3.884 6.234 457 HB3 GLN 33 HB3 GLN 33 -4.726 4.386 6.403 458 HB3 GLN 33 HB3 GLN 33 -5.771 2.566 5.069 459 HG2 GLN 33 HG2 GLN 33 -6.628 3.793 5.144 460 HG2 GLN 33 HG2 GLN 33 -4.656 1.137 6.458 461 HG3 GLN 33 HG3 GLN 33 -5.888 2.289 4.598 462 HG3 GLN 33 HG3 GLN 33 -3.843 2.438 7.327 463 HE21 GLN 33 HE21 GLN 33 -6.684 3.943 7.637 464 HE21 GLN 33 HE21 GLN 33 -7.010 0.960 6.814 465 HE22 GLN 33 HE22 GLN 33 -7.286 2.539 8.442 466 HE22 GLN 33 HE22 GLN 33 -7.618 1.289 8.399 467 H PHE 34 H PHE 34 -1.996 2.238 4.438 468 H PHE 34 H PHE 34 -2.424 1.804 5.688 469 HA PHE 34 HA PHE 34 -2.511 1.213 1.821 470 HA PHE 34 HA PHE 34 -2.031 0.973 2.891 471 HB2 PHE 34 HB2 PHE 34 -0.788 0.060 4.024 472 HB2 PHE 34 HB2 PHE 34 -0.191 1.375 5.089 473 HB3 PHE 34 HB3 PHE 34 -0.741 -0.402 2.326 474 HB3 PHE 34 HB3 PHE 34 -0.074 -0.269 4.466 475 HD1 PHE 34 HD1 PHE 34 -0.402 1.691 0.689 476 HD1 PHE 34 HD1 PHE 34 -0.528 3.123 2.967 477 HD2 PHE 34 HD2 PHE 34 0.833 1.499 4.757 478 HD2 PHE 34 HD2 PHE 34 1.632 -0.543 2.973 479 HE1 PHE 34 HE1 PHE 34 1.276 3.438 0.260 480 HE1 PHE 34 HE1 PHE 34 0.850 3.935 1.097 481 HE2 PHE 34 HE2 PHE 34 2.511 3.245 4.336 482 HE2 PHE 34 HE2 PHE 34 3.016 0.264 1.104 483 HZ PHE 34 HZ PHE 34 2.735 4.218 2.084 484 HZ PHE 34 HZ PHE 34 2.624 2.507 0.164 485 H GLU 35 H GLU 35 -3.313 0.220 5.092 486 H GLU 35 H GLU 35 -4.230 0.204 4.717 487 HA GLU 35 HA GLU 35 -4.332 -2.348 4.326 488 HA GLU 35 HA GLU 35 -3.970 -2.677 4.364 489 HB2 GLU 35 HB2 GLU 35 -4.994 -0.879 6.871 490 HB2 GLU 35 HB2 GLU 35 -4.264 -1.298 6.992 491 HB3 GLU 35 HB3 GLU 35 -4.958 -2.615 6.595 492 HB3 GLU 35 HB3 GLU 35 -5.134 -2.806 6.745 493 HG2 GLU 35 HG2 GLU 35 -2.912 -2.624 7.433 494 HG2 GLU 35 HG2 GLU 35 -3.192 -3.579 7.655 495 HG3 GLU 35 HG3 GLU 35 -2.385 -1.752 5.996 496 HG3 GLU 35 HG3 GLU 35 -2.802 -3.669 5.938 497 H ARG 36 H ARG 36 -6.613 -2.979 4.755 498 H ARG 36 H ARG 36 -5.953 -3.771 4.194 499 HA ARG 36 HA ARG 36 -8.392 -0.997 3.557 500 HA ARG 36 HA ARG 36 -7.997 -2.539 2.864 501 HB2 ARG 36 HB2 ARG 36 -8.183 -3.362 2.667 502 HB2 ARG 36 HB2 ARG 36 -7.671 -5.005 3.108 503 HB3 ARG 36 HB3 ARG 36 -8.995 -3.898 4.132 504 HB3 ARG 36 HB3 ARG 36 -8.355 -4.891 4.724 505 HG2 ARG 36 HG2 ARG 36 -10.715 -1.997 3.291 506 HG2 ARG 36 HG2 ARG 36 -10.264 -5.415 3.672 507 HG3 ARG 36 HG3 ARG 36 -10.074 -2.563 1.747 508 HG3 ARG 36 HG3 ARG 36 -10.299 -3.691 3.299 509 HD2 ARG 36 HD2 ARG 36 -11.170 -4.379 3.886 510 HD2 ARG 36 HD2 ARG 36 -9.890 -4.029 1.113 511 HD3 ARG 36 HD3 ARG 36 -12.122 -3.764 2.537 512 HD3 ARG 36 HD3 ARG 36 -8.730 -5.317 1.428 513 HE ARG 36 HE ARG 36 -9.719 -5.085 1.707 514 HE ARG 36 HE ARG 36 -11.351 -6.213 1.981 515 HH11 ARG 36 HH11 ARG 36 -13.037 -5.549 2.655 516 HH11 ARG 36 HH11 ARG 36 -9.242 -5.418 -0.673 517 HH12 ARG 36 HH12 ARG 36 -13.205 -7.051 1.810 518 HH12 ARG 36 HH12 ARG 36 -10.020 -6.496 -1.783 519 HH21 ARG 36 HH21 ARG 36 -9.928 -7.063 0.588 520 HH21 ARG 36 HH21 ARG 36 -12.383 -7.636 0.530 521 HH22 ARG 36 HH22 ARG 36 -11.437 -7.911 0.634 522 HH22 ARG 36 HH22 ARG 36 -11.807 -7.758 -1.099 523 HA PRO 37 HA PRO 37 -9.891 -0.246 7.731 524 HA PRO 37 HA PRO 37 -9.615 -0.029 6.240 525 HB2 PRO 37 HB2 PRO 37 -11.397 1.905 7.045 526 HB2 PRO 37 HB2 PRO 37 -11.150 1.534 4.635 527 HB3 PRO 37 HB3 PRO 37 -9.648 1.993 7.284 528 HB3 PRO 37 HB3 PRO 37 -9.412 1.783 4.842 529 HG2 PRO 37 HG2 PRO 37 -11.205 1.788 4.735 530 HG2 PRO 37 HG2 PRO 37 -10.879 0.400 2.627 531 HG3 PRO 37 HG3 PRO 37 -9.802 2.806 5.111 532 HG3 PRO 37 HG3 PRO 37 -9.515 1.531 2.532 533 HD2 PRO 37 HD2 PRO 37 -9.593 0.497 3.713 534 HD2 PRO 37 HD2 PRO 37 -9.203 -1.151 2.320 535 HD3 PRO 37 HD3 PRO 37 -8.304 1.084 4.785 536 HD3 PRO 37 HD3 PRO 37 -7.966 -0.099 3.039 537 H SER 38 H SER 38 -11.668 -1.012 8.722 538 H SER 38 H SER 38 -11.016 -1.255 7.391 539 HA SER 38 HA SER 38 -14.035 -1.583 7.059 540 HA SER 38 HA SER 38 -13.234 -2.626 6.277 541 HB2 SER 38 HB2 SER 38 -12.784 -3.627 7.755 542 HB2 SER 38 HB2 SER 38 -13.907 -2.973 8.656 543 HB3 SER 38 HB3 SER 38 -13.069 -3.189 9.439 544 HB3 SER 38 HB3 SER 38 -12.228 -3.414 8.338 545 HG SER 38 HG SER 38 -14.634 -4.603 7.933 546 HG SER 38 HG SER 38 -11.928 -2.160 10.022 547 H GLY 39 H GLY 39 -14.649 0.628 7.766 548 H GLY 39 H GLY 39 -13.385 -0.073 8.758 549 HA2 GLY 39 HA2 GLY 39 -15.980 2.003 9.032 550 HA2 GLY 39 HA2 GLY 39 -14.682 1.973 7.792 551 HA3 GLY 39 HA3 GLY 39 -16.595 0.540 9.785 552 HA3 GLY 39 HA3 GLY 39 -15.953 0.773 7.615 Start of MODEL 20 1 H1 SER 5 H SER 5 -9.227 -4.586 -6.379 2 H1 SER 5 H SER 5 -10.167 -3.203 -7.075 3 HA SER 5 HA SER 5 -10.863 -2.334 -6.896 4 HA SER 5 HA SER 5 -12.749 -3.613 -6.447 5 HB2 SER 5 HB2 SER 5 -11.615 -4.880 -8.195 6 HB2 SER 5 HB2 SER 5 -12.502 -5.639 -7.429 7 HB3 SER 5 HB3 SER 5 -11.248 -3.313 -8.912 8 HB3 SER 5 HB3 SER 5 -10.842 -5.113 -7.711 9 HG SER 5 HG SER 5 -9.177 -3.824 -9.023 10 HG SER 5 HG SER 5 -10.360 -6.102 -5.630 11 H LYS 6 H LYS 6 -11.371 -3.433 -4.297 12 H LYS 6 H LYS 6 -13.978 -4.465 -4.821 13 HA LYS 6 HA LYS 6 -14.255 -3.664 -4.491 14 HA LYS 6 HA LYS 6 -14.586 -5.036 -2.706 15 HB2 LYS 6 HB2 LYS 6 -12.629 -5.779 -3.067 16 HB2 LYS 6 HB2 LYS 6 -11.830 -6.210 -2.366 17 HB3 LYS 6 HB3 LYS 6 -14.384 -5.677 -3.109 18 HB3 LYS 6 HB3 LYS 6 -13.320 -6.694 -1.565 19 HG2 LYS 6 HG2 LYS 6 -14.357 -6.053 -5.517 20 HG2 LYS 6 HG2 LYS 6 -14.002 -7.103 -4.142 21 HG3 LYS 6 HG3 LYS 6 -12.594 -6.135 -5.489 22 HG3 LYS 6 HG3 LYS 6 -12.268 -7.425 -4.209 23 HD2 LYS 6 HD2 LYS 6 -12.889 -8.344 -5.244 24 HD2 LYS 6 HD2 LYS 6 -12.457 -9.333 -3.033 25 HD3 LYS 6 HD3 LYS 6 -13.287 -7.956 -3.568 26 HD3 LYS 6 HD3 LYS 6 -13.638 -8.639 -1.917 27 HE2 LYS 6 HE2 LYS 6 -15.286 -8.867 -3.914 28 HE2 LYS 6 HE2 LYS 6 -15.057 -10.051 -2.950 29 HE3 LYS 6 HE3 LYS 6 -15.645 -7.528 -5.003 30 HE3 LYS 6 HE3 LYS 6 -15.116 -8.782 -4.170 31 HZ1 LYS 6 HZ1 LYS 6 -14.407 -10.113 -5.782 32 HZ1 LYS 6 HZ1 LYS 6 -13.369 -11.181 -4.229 33 HZ2 LYS 6 HZ2 LYS 6 -14.734 -8.827 -6.830 34 HZ2 LYS 6 HZ2 LYS 6 -13.355 -9.942 -5.381 35 HZ3 LYS 6 HZ3 LYS 6 -16.007 -9.652 -6.082 36 HZ3 LYS 6 HZ3 LYS 6 -14.729 -10.912 -5.197 37 H LEU 7 H LEU 7 -14.224 -1.632 -3.466 38 H LEU 7 H LEU 7 -14.816 -3.154 -1.626 39 HA LEU 7 HA LEU 7 -13.438 -1.719 -0.627 40 HA LEU 7 HA LEU 7 -12.985 -2.472 0.404 41 HB2 LEU 7 HB2 LEU 7 -13.193 0.430 -2.682 42 HB2 LEU 7 HB2 LEU 7 -12.113 -0.401 -0.342 43 HB3 LEU 7 HB3 LEU 7 -13.431 0.880 -0.995 44 HB3 LEU 7 HB3 LEU 7 -11.770 -1.591 -1.597 45 HG LEU 7 HG LEU 7 -11.366 -0.095 -0.351 46 HG LEU 7 HG LEU 7 -14.222 -0.361 -2.273 47 HD11 LEU 7 HD11 LEU 7 -11.161 -2.113 -1.441 48 HD11 LEU 7 HD11 LEU 7 -13.273 1.401 -0.633 49 HD12 LEU 7 HD12 LEU 7 -9.942 -1.141 -2.264 50 HD12 LEU 7 HD12 LEU 7 -13.870 1.925 -2.207 51 HD13 LEU 7 HD13 LEU 7 -11.510 -1.417 -3.024 52 HD13 LEU 7 HD13 LEU 7 -12.136 1.755 -1.933 53 HD21 LEU 7 HD21 LEU 7 -10.626 1.895 -1.090 54 HD21 LEU 7 HD21 LEU 7 -12.966 0.370 -4.231 55 HD22 LEU 7 HD22 LEU 7 -11.430 1.733 -2.651 56 HD22 LEU 7 HD22 LEU 7 -12.577 -1.300 -3.820 57 HD23 LEU 7 HD23 LEU 7 -9.882 0.936 -2.369 58 HD23 LEU 7 HD23 LEU 7 -11.450 -0.006 -3.410 59 HA PRO 8 HA PRO 8 -17.574 -0.805 0.518 60 HA PRO 8 HA PRO 8 -16.567 -0.508 2.003 61 HB2 PRO 8 HB2 PRO 8 -17.211 0.806 2.673 62 HB2 PRO 8 HB2 PRO 8 -15.479 1.386 3.614 63 HB3 PRO 8 HB3 PRO 8 -16.883 -0.930 2.706 64 HB3 PRO 8 HB3 PRO 8 -15.446 -0.338 4.002 65 HG2 PRO 8 HG2 PRO 8 -14.974 1.351 2.369 66 HG2 PRO 8 HG2 PRO 8 -13.303 1.373 2.803 67 HG3 PRO 8 HG3 PRO 8 -14.806 -0.113 3.354 68 HG3 PRO 8 HG3 PRO 8 -13.170 0.133 4.063 69 HD2 PRO 8 HD2 PRO 8 -13.615 0.164 0.939 70 HD2 PRO 8 HD2 PRO 8 -12.506 -0.337 1.480 71 HD3 PRO 8 HD3 PRO 8 -14.178 -1.405 1.552 72 HD3 PRO 8 HD3 PRO 8 -13.177 -1.595 2.537 73 HA PRO 9 HA PRO 9 -19.044 3.052 -0.999 74 HA PRO 9 HA PRO 9 -17.598 3.080 -0.329 75 HB2 PRO 9 HB2 PRO 9 -21.002 3.737 0.751 76 HB2 PRO 9 HB2 PRO 9 -19.458 4.233 1.277 77 HB3 PRO 9 HB3 PRO 9 -21.168 2.411 -0.402 78 HB3 PRO 9 HB3 PRO 9 -19.767 2.756 0.356 79 HG2 PRO 9 HG2 PRO 9 -20.463 2.315 2.505 80 HG2 PRO 9 HG2 PRO 9 -19.040 3.071 3.243 81 HG3 PRO 9 HG3 PRO 9 -21.561 1.271 1.585 82 HG3 PRO 9 HG3 PRO 9 -20.247 2.003 2.505 83 HD2 PRO 9 HD2 PRO 9 -19.040 0.524 2.227 84 HD2 PRO 9 HD2 PRO 9 -17.801 1.128 3.269 85 HD3 PRO 9 HD3 PRO 9 -19.841 -0.003 0.733 86 HD3 PRO 9 HD3 PRO 9 -18.667 0.444 1.880 87 H GLY 10 H GLY 10 -17.763 4.798 -0.947 88 H GLY 10 H GLY 10 -17.099 5.238 -0.547 89 HA2 GLY 10 HA2 GLY 10 -17.641 7.030 0.135 90 HA2 GLY 10 HA2 GLY 10 -16.507 7.394 0.206 91 HA3 GLY 10 HA3 GLY 10 -17.412 6.168 1.649 92 HA3 GLY 10 HA3 GLY 10 -16.203 6.728 1.804 93 H TRP 11 H TRP 11 -15.676 4.178 0.187 94 H TRP 11 H TRP 11 -14.568 4.530 0.729 95 HA TRP 11 HA TRP 11 -13.224 5.766 0.369 96 HA TRP 11 HA TRP 11 -12.086 6.034 0.505 97 HB2 TRP 11 HB2 TRP 11 -13.843 2.842 0.622 98 HB2 TRP 11 HB2 TRP 11 -12.515 3.048 0.747 99 HB3 TRP 11 HB3 TRP 11 -12.201 3.364 0.256 100 HB3 TRP 11 HB3 TRP 11 -10.979 3.896 0.904 101 HD1 TRP 11 HD1 TRP 11 -14.802 3.400 3.057 102 HD1 TRP 11 HD1 TRP 11 -14.324 3.435 2.757 103 HE1 TRP 11 HE1 TRP 11 -13.630 4.028 5.262 104 HE1 TRP 11 HE1 TRP 11 -13.952 3.991 5.243 105 HE3 TRP 11 HE3 TRP 11 -10.202 4.646 1.205 106 HE3 TRP 11 HE3 TRP 11 -9.506 5.123 2.500 107 HZ2 TRP 11 HZ2 TRP 11 -11.093 4.934 6.105 108 HZ2 TRP 11 HZ2 TRP 11 -11.889 5.009 6.879 109 HZ3 TRP 11 HZ3 TRP 11 -8.458 5.384 2.777 110 HZ3 TRP 11 HZ3 TRP 11 -8.405 5.869 4.571 111 HH2 TRP 11 HH2 TRP 11 -8.897 5.525 5.176 112 HH2 TRP 11 HH2 TRP 11 -9.574 5.813 6.712 113 H GLU 12 H GLU 12 -11.526 5.496 -1.197 114 H GLU 12 H GLU 12 -10.645 5.890 -1.195 115 HA GLU 12 HA GLU 12 -12.442 4.542 -3.825 116 HA GLU 12 HA GLU 12 -11.682 4.601 -3.635 117 HB2 GLU 12 HB2 GLU 12 -12.145 6.530 -4.824 118 HB2 GLU 12 HB2 GLU 12 -11.158 7.314 -3.207 119 HB3 GLU 12 HB3 GLU 12 -12.194 7.205 -3.202 120 HB3 GLU 12 HB3 GLU 12 -9.789 6.737 -4.146 121 HG2 GLU 12 HG2 GLU 12 -9.735 7.012 -3.086 122 HG2 GLU 12 HG2 GLU 12 -12.425 5.865 -5.105 123 HG3 GLU 12 HG3 GLU 12 -9.731 6.444 -4.753 124 HG3 GLU 12 HG3 GLU 12 -12.114 7.596 -5.206 125 H LYS 13 H LYS 13 -11.030 3.284 -4.873 126 H LYS 13 H LYS 13 -10.276 3.446 -4.902 127 HA LYS 13 HA LYS 13 -8.480 2.722 -3.601 128 HA LYS 13 HA LYS 13 -7.701 2.804 -3.658 129 HB2 LYS 13 HB2 LYS 13 -9.940 0.877 -4.358 130 HB2 LYS 13 HB2 LYS 13 -9.137 0.898 -4.065 131 HB3 LYS 13 HB3 LYS 13 -9.776 1.443 -6.015 132 HB3 LYS 13 HB3 LYS 13 -9.329 1.357 -5.752 133 HG2 LYS 13 HG2 LYS 13 -7.664 0.637 -6.232 134 HG2 LYS 13 HG2 LYS 13 -6.844 1.033 -6.007 135 HG3 LYS 13 HG3 LYS 13 -7.285 0.861 -4.523 136 HG3 LYS 13 HG3 LYS 13 -6.861 0.314 -4.395 137 HD2 LYS 13 HD2 LYS 13 -8.176 -1.156 -3.919 138 HD2 LYS 13 HD2 LYS 13 -8.946 -0.859 -5.951 139 HD3 LYS 13 HD3 LYS 13 -9.347 -1.156 -5.240 140 HD3 LYS 13 HD3 LYS 13 -7.444 -0.920 -6.875 141 HE2 LYS 13 HE2 LYS 13 -7.958 -2.251 -6.611 142 HE2 LYS 13 HE2 LYS 13 -7.037 -1.621 -4.091 143 HE3 LYS 13 HE3 LYS 13 -6.580 -1.250 -6.156 144 HE3 LYS 13 HE3 LYS 13 -8.231 -2.662 -4.863 145 HZ1 LYS 13 HZ1 LYS 13 -7.454 -3.810 -5.076 146 HZ1 LYS 13 HZ1 LYS 13 -6.701 -3.546 -6.256 147 HZ2 LYS 13 HZ2 LYS 13 -6.838 -2.698 -3.960 148 HZ2 LYS 13 HZ2 LYS 13 -5.655 -3.152 -4.985 149 HZ3 LYS 13 HZ3 LYS 13 -5.890 -3.192 -5.272 150 HZ3 LYS 13 HZ3 LYS 13 -5.765 -2.137 -6.335 151 H ARG 14 H ARG 14 -6.724 3.828 -4.133 152 H ARG 14 H ARG 14 -5.955 3.773 -4.429 153 HA ARG 14 HA ARG 14 -6.478 4.833 -6.894 154 HA ARG 14 HA ARG 14 -5.771 4.266 -7.321 155 HB2 ARG 14 HB2 ARG 14 -5.369 5.970 -4.322 156 HB2 ARG 14 HB2 ARG 14 -4.579 6.212 -5.382 157 HB3 ARG 14 HB3 ARG 14 -4.959 6.567 -5.925 158 HB3 ARG 14 HB3 ARG 14 -5.029 6.455 -7.065 159 HG2 ARG 14 HG2 ARG 14 -7.835 6.410 -5.380 160 HG2 ARG 14 HG2 ARG 14 -7.437 5.891 -5.914 161 HG3 ARG 14 HG3 ARG 14 -6.945 7.549 -4.368 162 HG3 ARG 14 HG3 ARG 14 -6.607 6.774 -4.630 163 HD2 ARG 14 HD2 ARG 14 -7.708 8.722 -6.305 164 HD2 ARG 14 HD2 ARG 14 -6.278 8.664 -6.010 165 HD3 ARG 14 HD3 ARG 14 -5.963 8.514 -6.445 166 HD3 ARG 14 HD3 ARG 14 -6.721 7.770 -7.465 167 HE ARG 14 HE ARG 14 -6.292 7.147 -8.266 168 HE ARG 14 HE ARG 14 -8.808 7.976 -5.478 169 HH11 ARG 14 HH11 ARG 14 -9.327 7.741 -6.668 170 HH11 ARG 14 HH11 ARG 14 -7.339 9.378 -8.306 171 HH12 ARG 14 HH12 ARG 14 -10.281 7.052 -7.939 172 HH12 ARG 14 HH12 ARG 14 -8.761 10.253 -8.772 173 HH21 ARG 14 HH21 ARG 14 -7.537 6.235 -9.947 174 HH21 ARG 14 HH21 ARG 14 -10.687 9.122 -6.080 175 HH22 ARG 14 HH22 ARG 14 -9.261 6.193 -9.803 176 HH22 ARG 14 HH22 ARG 14 -10.665 10.107 -7.504 177 H MET 15 H MET 15 -4.185 5.087 -7.632 178 H MET 15 H MET 15 -3.650 4.258 -8.186 179 HA MET 15 HA MET 15 -2.408 3.050 -6.479 180 HA MET 15 HA MET 15 -1.603 3.118 -6.401 181 HB2 MET 15 HB2 MET 15 -3.778 2.481 -8.701 182 HB2 MET 15 HB2 MET 15 -2.845 1.662 -8.307 183 HB3 MET 15 HB3 MET 15 -2.443 3.353 -9.438 184 HB3 MET 15 HB3 MET 15 -1.529 2.341 -9.255 185 HG2 MET 15 HG2 MET 15 -1.540 1.406 -7.490 186 HG2 MET 15 HG2 MET 15 0.038 1.107 -8.218 187 HG3 MET 15 HG3 MET 15 -2.498 0.678 -8.778 188 HG3 MET 15 HG3 MET 15 -0.770 1.198 -6.655 189 HE1 MET 15 HE1 MET 15 -0.867 -0.742 -9.723 190 HE1 MET 15 HE1 MET 15 -1.535 -1.889 -9.973 191 HE2 MET 15 HE2 MET 15 -1.364 0.082 -11.201 192 HE2 MET 15 HE2 MET 15 -1.656 -0.153 -10.265 193 HE3 MET 15 HE3 MET 15 0.347 -0.226 -10.894 194 HE3 MET 15 HE3 MET 15 -0.105 -0.869 -9.826 195 H SER 16 H SER 16 -0.225 3.486 -6.598 196 H SER 16 H SER 16 0.316 4.109 -6.433 197 HA SER 16 HA SER 16 0.452 6.218 -7.446 198 HA SER 16 HA SER 16 0.674 6.496 -7.936 199 HB2 SER 16 HB2 SER 16 0.973 4.812 -5.055 200 HB2 SER 16 HB2 SER 16 2.091 5.060 -5.820 201 HB3 SER 16 HB3 SER 16 2.522 4.970 -5.881 202 HB3 SER 16 HB3 SER 16 3.182 5.842 -6.964 203 HG SER 16 HG SER 16 2.396 7.122 -5.756 204 HG SER 16 HG SER 16 2.667 7.319 -5.374 205 H ARG 17 H ARG 17 2.325 6.619 -8.646 206 H ARG 17 H ARG 17 2.462 6.946 -9.392 207 HA ARG 17 HA ARG 17 3.163 4.369 -10.305 208 HA ARG 17 HA ARG 17 2.562 5.229 -11.578 209 HB2 ARG 17 HB2 ARG 17 3.720 5.896 -11.939 210 HB2 ARG 17 HB2 ARG 17 3.071 7.607 -11.758 211 HB3 ARG 17 HB3 ARG 17 2.413 6.742 -11.124 212 HB3 ARG 17 HB3 ARG 17 4.515 7.392 -10.774 213 HG2 ARG 17 HG2 ARG 17 4.088 8.000 -9.817 214 HG2 ARG 17 HG2 ARG 17 5.282 5.767 -12.596 215 HG3 ARG 17 HG3 ARG 17 5.363 7.201 -10.738 216 HG3 ARG 17 HG3 ARG 17 4.004 6.482 -13.581 217 HD2 ARG 17 HD2 ARG 17 3.272 9.123 -11.726 218 HD2 ARG 17 HD2 ARG 17 6.395 7.849 -12.365 219 HD3 ARG 17 HD3 ARG 17 5.026 9.303 -11.765 220 HD3 ARG 17 HD3 ARG 17 6.011 7.655 -14.075 221 HE ARG 17 HE ARG 17 4.519 7.076 -13.268 222 HE ARG 17 HE ARG 17 5.083 9.710 -12.344 223 HH11 ARG 17 HH11 ARG 17 3.488 10.401 -13.339 224 HH11 ARG 17 HH11 ARG 17 4.164 7.741 -15.063 225 HH12 ARG 17 HH12 ARG 17 3.283 10.437 -15.059 226 HH12 ARG 17 HH12 ARG 17 3.041 8.901 -15.690 227 HH21 ARG 17 HH21 ARG 17 4.251 7.110 -15.533 228 HH21 ARG 17 HH21 ARG 17 3.607 11.247 -13.159 229 HH22 ARG 17 HH22 ARG 17 3.715 8.564 -16.305 230 HH22 ARG 17 HH22 ARG 17 2.724 10.895 -14.606 231 H ASN 18 H ASN 18 5.581 4.689 -11.095 232 H ASN 18 H ASN 18 5.270 5.953 -9.366 233 HA ASN 18 HA ASN 18 7.802 4.566 -10.608 234 HA ASN 18 HA ASN 18 6.609 3.515 -10.204 235 HB2 ASN 18 HB2 ASN 18 6.820 6.669 -8.905 236 HB2 ASN 18 HB2 ASN 18 7.514 5.597 -8.206 237 HB3 ASN 18 HB3 ASN 18 8.056 5.748 -8.052 238 HB3 ASN 18 HB3 ASN 18 8.506 4.332 -8.925 239 HD21 ASN 18 HD21 ASN 18 10.145 5.962 -8.627 240 HD21 ASN 18 HD21 ASN 18 8.821 7.236 -8.968 241 HD22 ASN 18 HD22 ASN 18 10.708 7.007 -9.882 242 HD22 ASN 18 HD22 ASN 18 8.872 7.681 -10.635 243 H SER 19 H SER 19 6.526 4.552 -7.292 244 H SER 19 H SER 19 7.136 1.802 -8.854 245 HA SER 19 HA SER 19 8.028 2.239 -6.592 246 HA SER 19 HA SER 19 7.021 0.396 -7.052 247 HB2 SER 19 HB2 SER 19 6.679 2.362 -4.458 248 HB2 SER 19 HB2 SER 19 6.890 1.260 -4.939 249 HB3 SER 19 HB3 SER 19 7.560 3.835 -4.867 250 HB3 SER 19 HB3 SER 19 7.132 2.777 -5.805 251 HG SER 19 HG SER 19 4.869 3.451 -5.635 252 HG SER 19 HG SER 19 5.341 3.266 -4.778 253 H GLY 20 H GLY 20 4.833 2.776 -7.829 254 H GLY 20 H GLY 20 4.129 2.437 -7.417 255 HA2 GLY 20 HA2 GLY 20 3.207 1.314 -8.528 256 HA2 GLY 20 HA2 GLY 20 1.940 1.847 -7.825 257 HA3 GLY 20 HA3 GLY 20 4.438 0.061 -8.478 258 HA3 GLY 20 HA3 GLY 20 2.500 0.210 -8.134 259 H ARG 21 H ARG 21 3.036 2.048 -5.885 260 H ARG 21 H ARG 21 2.996 2.004 -5.146 261 HA ARG 21 HA ARG 21 2.330 -0.453 -4.500 262 HA ARG 21 HA ARG 21 1.980 -0.143 -3.576 263 HB2 ARG 21 HB2 ARG 21 3.695 1.905 -3.635 264 HB2 ARG 21 HB2 ARG 21 3.004 2.610 -3.003 265 HB3 ARG 21 HB3 ARG 21 2.193 1.767 -2.731 266 HB3 ARG 21 HB3 ARG 21 2.150 1.732 -1.741 267 HG2 ARG 21 HG2 ARG 21 2.896 -0.032 -1.585 268 HG2 ARG 21 HG2 ARG 21 3.834 0.262 -1.428 269 HG3 ARG 21 HG3 ARG 21 3.746 -0.717 -2.971 270 HG3 ARG 21 HG3 ARG 21 4.297 0.263 -3.132 271 HD2 ARG 21 HD2 ARG 21 5.387 -0.146 -1.346 272 HD2 ARG 21 HD2 ARG 21 6.056 1.273 -1.834 273 HD3 ARG 21 HD3 ARG 21 5.500 1.041 -2.647 274 HD3 ARG 21 HD3 ARG 21 5.279 2.513 -2.818 275 HE ARG 21 HE ARG 21 4.446 1.508 0.046 276 HE ARG 21 HE ARG 21 5.062 2.208 0.088 277 HH11 ARG 21 HH11 ARG 21 5.334 2.718 -3.095 278 HH11 ARG 21 HH11 ARG 21 4.343 3.985 -2.818 279 HH12 ARG 21 HH12 ARG 21 5.303 4.379 -2.608 280 HH12 ARG 21 HH12 ARG 21 3.835 5.412 -1.975 281 HH21 ARG 21 HH21 ARG 21 4.401 3.694 0.699 282 HH21 ARG 21 HH21 ARG 21 4.398 4.079 1.208 283 HH22 ARG 21 HH22 ARG 21 4.772 4.933 -0.449 284 HH22 ARG 21 HH22 ARG 21 3.869 5.464 0.315 285 H VAL 22 H VAL 22 0.462 -0.072 -2.871 286 H VAL 22 H VAL 22 -0.160 -0.369 -4.444 287 HA VAL 22 HA VAL 22 -1.703 1.313 -4.313 288 HA VAL 22 HA VAL 22 -2.142 1.539 -4.570 289 HB VAL 22 HB VAL 22 -1.890 -1.080 -2.477 290 HB VAL 22 HB VAL 22 -2.241 -0.937 -5.249 291 HG11 VAL 22 HG11 VAL 22 -4.044 0.341 -4.040 292 HG11 VAL 22 HG11 VAL 22 -3.218 -2.473 -3.676 293 HG12 VAL 22 HG12 VAL 22 -4.253 -1.138 -3.103 294 HG12 VAL 22 HG12 VAL 22 -1.748 -1.795 -2.970 295 HG13 VAL 22 HG13 VAL 22 -3.843 0.373 -2.289 296 HG13 VAL 22 HG13 VAL 22 -3.329 -1.210 -2.450 297 HG21 VAL 22 HG21 VAL 22 -0.965 -1.246 -4.922 298 HG21 VAL 22 HG21 VAL 22 -4.084 0.629 -5.572 299 HG22 VAL 22 HG22 VAL 22 -2.131 -2.427 -4.326 300 HG22 VAL 22 HG22 VAL 22 -4.687 -0.960 -5.101 301 HG23 VAL 22 HG23 VAL 22 -2.667 -1.101 -5.356 302 HG23 VAL 22 HG23 VAL 22 -4.627 0.346 -3.918 303 H TYR 23 H TYR 23 -3.004 2.721 -3.242 304 H TYR 23 H TYR 23 -3.597 2.435 -3.168 305 HA TYR 23 HA TYR 23 -2.814 2.950 -0.343 306 HA TYR 23 HA TYR 23 -3.584 1.624 -0.371 307 HB2 TYR 23 HB2 TYR 23 -2.210 5.267 -0.345 308 HB2 TYR 23 HB2 TYR 23 -3.207 3.928 0.420 309 HB3 TYR 23 HB3 TYR 23 -1.027 4.418 -1.333 310 HB3 TYR 23 HB3 TYR 23 -1.820 3.308 -0.467 311 HD1 TYR 23 HD1 TYR 23 -0.955 4.747 -3.746 312 HD1 TYR 23 HD1 TYR 23 -1.356 4.126 -2.763 313 HD2 TYR 23 HD2 TYR 23 -3.781 6.825 -1.338 314 HD2 TYR 23 HD2 TYR 23 -4.433 5.822 -0.362 315 HE1 TYR 23 HE1 TYR 23 -1.400 6.288 -5.609 316 HE1 TYR 23 HE1 TYR 23 -1.420 6.090 -4.243 317 HE2 TYR 23 HE2 TYR 23 -4.235 8.373 -3.196 318 HE2 TYR 23 HE2 TYR 23 -4.504 7.791 -1.835 319 HH TYR 23 HH TYR 23 -2.492 9.034 -5.505 320 HH TYR 23 HH TYR 23 -2.164 8.624 -3.905 321 H TYR 24 H TYR 24 -4.686 3.577 0.576 322 H TYR 24 H TYR 24 -5.159 3.243 0.853 323 HA TYR 24 HA TYR 24 -6.907 4.208 -1.232 324 HA TYR 24 HA TYR 24 -7.506 3.673 -0.876 325 HB2 TYR 24 HB2 TYR 24 -7.083 3.383 1.669 326 HB2 TYR 24 HB2 TYR 24 -7.427 2.519 1.917 327 HB3 TYR 24 HB3 TYR 24 -8.382 3.409 0.481 328 HB3 TYR 24 HB3 TYR 24 -8.904 3.022 1.104 329 HD1 TYR 24 HD1 TYR 24 -6.229 1.317 2.202 330 HD1 TYR 24 HD1 TYR 24 -6.191 0.546 1.149 331 HD2 TYR 24 HD2 TYR 24 -7.784 1.935 -1.711 332 HD2 TYR 24 HD2 TYR 24 -9.860 1.699 -0.672 333 HE1 TYR 24 HE1 TYR 24 -5.761 -1.034 1.651 334 HE1 TYR 24 HE1 TYR 24 -6.365 -1.675 0.106 335 HE2 TYR 24 HE2 TYR 24 -7.322 -0.415 -2.271 336 HE2 TYR 24 HE2 TYR 24 -10.043 -0.517 -1.720 337 HH TYR 24 HH TYR 24 -5.335 -2.381 -0.460 338 HH TYR 24 HH TYR 24 -7.524 -2.981 -1.263 339 H PHE 25 H PHE 25 -8.382 5.885 -0.740 340 H PHE 25 H PHE 25 -8.159 5.710 -0.899 341 HA PHE 25 HA PHE 25 -7.557 7.819 1.293 342 HA PHE 25 HA PHE 25 -7.615 7.391 1.458 343 HB2 PHE 25 HB2 PHE 25 -6.793 8.219 -1.282 344 HB2 PHE 25 HB2 PHE 25 -6.190 8.094 -0.369 345 HB3 PHE 25 HB3 PHE 25 -8.360 9.021 -1.282 346 HB3 PHE 25 HB3 PHE 25 -7.566 8.164 -1.464 347 HD1 PHE 25 HD1 PHE 25 -8.708 11.064 -0.105 348 HD1 PHE 25 HD1 PHE 25 -9.038 10.036 -1.491 349 HD2 PHE 25 HD2 PHE 25 -4.994 9.006 0.186 350 HD2 PHE 25 HD2 PHE 25 -5.930 9.771 1.407 351 HE1 PHE 25 HE1 PHE 25 -7.692 13.051 0.931 352 HE1 PHE 25 HE1 PHE 25 -9.387 12.400 -0.904 353 HE2 PHE 25 HE2 PHE 25 -3.973 10.989 1.225 354 HE2 PHE 25 HE2 PHE 25 -6.278 12.133 2.001 355 HZ PHE 25 HZ PHE 25 -5.323 13.015 1.599 356 HZ PHE 25 HZ PHE 25 -8.008 13.451 0.847 357 H ASN 26 H ASN 26 -9.251 8.413 2.462 358 H ASN 26 H ASN 26 -9.320 8.344 2.372 359 HA ASN 26 HA ASN 26 -11.931 7.834 1.492 360 HA ASN 26 HA ASN 26 -11.853 8.390 0.864 361 HB2 ASN 26 HB2 ASN 26 -11.110 7.222 3.820 362 HB2 ASN 26 HB2 ASN 26 -11.883 6.781 2.734 363 HB3 ASN 26 HB3 ASN 26 -11.179 8.942 4.196 364 HB3 ASN 26 HB3 ASN 26 -11.478 8.082 3.851 365 HD21 ASN 26 HD21 ASN 26 -13.307 6.760 2.380 366 HD21 ASN 26 HD21 ASN 26 -13.584 6.922 4.635 367 HD22 ASN 26 HD22 ASN 26 -14.730 7.118 3.290 368 HD22 ASN 26 HD22 ASN 26 -15.047 7.730 4.196 369 H HIS 27 H HIS 27 -13.208 9.318 0.618 370 H HIS 27 H HIS 27 -12.741 10.321 0.537 371 HA HIS 27 HA HIS 27 -12.398 12.088 0.566 372 HA HIS 27 HA HIS 27 -11.484 12.695 1.489 373 HB2 HIS 27 HB2 HIS 27 -13.973 12.386 -1.133 374 HB2 HIS 27 HB2 HIS 27 -13.461 13.823 0.366 375 HB3 HIS 27 HB3 HIS 27 -13.454 10.719 -1.365 376 HB3 HIS 27 HB3 HIS 27 -12.470 12.801 -0.672 377 HD1 HIS 27 HD1 HIS 27 -16.328 12.686 0.117 378 HD1 HIS 27 HD1 HIS 27 -15.505 12.111 1.534 379 HD2 HIS 27 HD2 HIS 27 -15.460 8.865 -1.264 380 HD2 HIS 27 HD2 HIS 27 -14.098 11.425 -2.313 381 HE1 HIS 27 HE1 HIS 27 -18.525 11.463 0.100 382 HE1 HIS 27 HE1 HIS 27 -17.304 10.777 0.389 383 H ILE 28 H ILE 28 -14.120 10.232 2.699 384 H ILE 28 H ILE 28 -13.832 10.634 2.792 385 HA ILE 28 HA ILE 28 -16.005 12.337 3.442 386 HA ILE 28 HA ILE 28 -15.231 12.637 4.330 387 HB ILE 28 HB ILE 28 -15.657 9.555 4.567 388 HB ILE 28 HB ILE 28 -15.273 9.623 4.546 389 HG12 ILE 28 HG12 ILE 28 -17.551 10.747 2.550 390 HG12 ILE 28 HG12 ILE 28 -17.053 11.620 3.148 391 HG13 ILE 28 HG13 ILE 28 -16.522 9.330 2.377 392 HG13 ILE 28 HG13 ILE 28 -16.187 10.262 2.440 393 HG21 ILE 28 HG21 ILE 28 -17.880 11.528 5.065 394 HG21 ILE 28 HG21 ILE 28 -15.882 10.768 6.648 395 HG22 ILE 28 HG22 ILE 28 -17.691 9.932 5.787 396 HG22 ILE 28 HG22 ILE 28 -17.142 11.642 5.779 397 HG23 ILE 28 HG23 ILE 28 -16.550 11.218 6.180 398 HG23 ILE 28 HG23 ILE 28 -17.233 9.888 5.933 399 HD11 ILE 28 HD11 ILE 28 -17.924 8.176 4.062 400 HD11 ILE 28 HD11 ILE 28 -18.626 10.201 4.181 401 HD12 ILE 28 HD12 ILE 28 -18.998 9.576 4.065 402 HD12 ILE 28 HD12 ILE 28 -18.439 9.620 2.526 403 HD13 ILE 28 HD13 ILE 28 -18.793 8.624 2.596 404 HD13 ILE 28 HD13 ILE 28 -17.654 8.767 3.852 405 H THR 29 H THR 29 -13.256 10.543 4.760 406 H THR 29 H THR 29 -12.754 10.182 4.924 407 HA THR 29 HA THR 29 -13.141 12.463 6.990 408 HA THR 29 HA THR 29 -12.532 10.926 7.719 409 HB THR 29 HB THR 29 -11.823 10.818 8.216 410 HB THR 29 HB THR 29 -10.772 9.216 7.839 411 HG1 THR 29 HG1 THR 29 -12.262 9.072 6.005 412 HG1 THR 29 HG1 THR 29 -9.967 8.294 6.062 413 HG21 THR 29 HG21 THR 29 -14.079 10.547 8.709 414 HG21 THR 29 HG21 THR 29 -12.246 7.269 6.905 415 HG22 THR 29 HG22 THR 29 -13.598 8.922 8.219 416 HG22 THR 29 HG22 THR 29 -13.420 8.554 6.620 417 HG23 THR 29 HG23 THR 29 -14.465 9.964 7.091 418 HG23 THR 29 HG23 THR 29 -12.829 8.246 8.252 419 H ASN 30 H ASN 30 -11.875 12.072 4.049 420 H ASN 30 H ASN 30 -10.966 11.621 4.703 421 HA ASN 30 HA ASN 30 -9.912 12.593 2.999 422 HA ASN 30 HA ASN 30 -9.341 13.110 4.137 423 HB2 ASN 30 HB2 ASN 30 -9.231 14.525 5.159 424 HB2 ASN 30 HB2 ASN 30 -10.601 14.286 6.267 425 HB3 ASN 30 HB3 ASN 30 -9.238 14.748 3.412 426 HB3 ASN 30 HB3 ASN 30 -8.930 14.235 6.822 427 HD21 ASN 30 HD21 ASN 30 -11.687 14.176 2.621 428 HD21 ASN 30 HD21 ASN 30 -7.589 14.565 4.439 429 HD22 ASN 30 HD22 ASN 30 -12.859 15.192 3.381 430 HD22 ASN 30 HD22 ASN 30 -7.906 16.148 3.822 431 H ALA 31 H ALA 31 -9.790 10.495 5.073 432 H ALA 31 H ALA 31 -8.627 10.496 4.934 433 HA ALA 31 HA ALA 31 -7.077 10.803 6.121 434 HA ALA 31 HA ALA 31 -5.830 10.935 5.516 435 HB1 ALA 31 HB1 ALA 31 -9.127 8.647 6.625 436 HB1 ALA 31 HB1 ALA 31 -7.098 8.899 7.272 437 HB2 ALA 31 HB2 ALA 31 -7.555 8.782 7.417 438 HB2 ALA 31 HB2 ALA 31 -5.648 9.873 7.528 439 HB3 ALA 31 HB3 ALA 31 -8.781 10.022 7.677 440 HB3 ALA 31 HB3 ALA 31 -7.244 10.600 7.720 441 H SER 32 H SER 32 -5.499 9.120 5.829 442 H SER 32 H SER 32 -4.552 9.440 4.559 443 HA SER 32 HA SER 32 -5.896 7.545 3.372 444 HA SER 32 HA SER 32 -5.914 7.297 3.090 445 HB2 SER 32 HB2 SER 32 -4.020 8.370 2.418 446 HB2 SER 32 HB2 SER 32 -3.293 7.366 2.191 447 HB3 SER 32 HB3 SER 32 -4.185 9.683 3.583 448 HB3 SER 32 HB3 SER 32 -4.674 8.136 1.411 449 HG SER 32 HG SER 32 -2.584 8.883 4.744 450 HG SER 32 HG SER 32 -3.026 9.644 1.767 451 H GLN 33 H GLN 33 -5.485 5.435 3.544 452 H GLN 33 H GLN 33 -4.695 5.239 2.828 453 HA GLN 33 HA GLN 33 -3.877 4.506 5.828 454 HA GLN 33 HA GLN 33 -2.692 4.505 4.706 455 HB2 GLN 33 HB2 GLN 33 -6.631 4.048 5.376 456 HB2 GLN 33 HB2 GLN 33 -4.071 2.887 6.001 457 HB3 GLN 33 HB3 GLN 33 -5.807 2.529 5.049 458 HB3 GLN 33 HB3 GLN 33 -4.482 4.570 6.313 459 HG2 GLN 33 HG2 GLN 33 -4.615 3.290 7.367 460 HG2 GLN 33 HG2 GLN 33 -6.345 4.296 4.636 461 HG3 GLN 33 HG3 GLN 33 -6.244 3.933 7.580 462 HG3 GLN 33 HG3 GLN 33 -6.008 2.568 4.678 463 HE21 GLN 33 HE21 GLN 33 -7.888 2.180 6.545 464 HE21 GLN 33 HE21 GLN 33 -5.972 1.611 6.913 465 HE22 GLN 33 HE22 GLN 33 -7.721 0.619 7.264 466 HE22 GLN 33 HE22 GLN 33 -7.196 2.143 8.011 467 H PHE 34 H PHE 34 -2.937 2.348 5.532 468 H PHE 34 H PHE 34 -1.705 2.632 4.121 469 HA PHE 34 HA PHE 34 -2.352 1.814 2.694 470 HA PHE 34 HA PHE 34 -2.302 1.536 1.579 471 HB2 PHE 34 HB2 PHE 34 -0.599 2.225 4.974 472 HB2 PHE 34 HB2 PHE 34 -0.524 0.273 3.665 473 HB3 PHE 34 HB3 PHE 34 -0.282 0.687 4.183 474 HB3 PHE 34 HB3 PHE 34 -0.417 0.113 1.914 475 HD1 PHE 34 HD1 PHE 34 1.488 0.796 2.741 476 HD1 PHE 34 HD1 PHE 34 1.164 1.494 4.591 477 HD2 PHE 34 HD2 PHE 34 -1.151 4.125 3.010 478 HD2 PHE 34 HD2 PHE 34 -0.314 2.613 0.762 479 HE1 PHE 34 HE1 PHE 34 2.783 1.958 1.001 480 HE1 PHE 34 HE1 PHE 34 2.761 3.364 4.527 481 HE2 PHE 34 HE2 PHE 34 0.137 5.292 1.270 482 HE2 PHE 34 HE2 PHE 34 1.281 4.485 0.689 483 HZ PHE 34 HZ PHE 34 2.106 4.208 0.262 484 HZ PHE 34 HZ PHE 34 2.823 4.862 2.572 485 H GLU 35 H GLU 35 -4.463 0.690 4.470 486 H GLU 35 H GLU 35 -2.952 0.498 4.874 487 HA GLU 35 HA GLU 35 -3.893 -2.117 3.916 488 HA GLU 35 HA GLU 35 -3.926 -2.091 4.120 489 HB2 GLU 35 HB2 GLU 35 -4.252 -0.944 6.614 490 HB2 GLU 35 HB2 GLU 35 -4.330 -0.562 6.698 491 HB3 GLU 35 HB3 GLU 35 -5.111 -2.446 6.295 492 HB3 GLU 35 HB3 GLU 35 -4.636 -2.276 6.453 493 HG2 GLU 35 HG2 GLU 35 -3.102 -3.150 7.206 494 HG2 GLU 35 HG2 GLU 35 -2.587 -2.319 7.471 495 HG3 GLU 35 HG3 GLU 35 -2.852 -3.331 5.470 496 HG3 GLU 35 HG3 GLU 35 -2.131 -2.351 5.769 497 H ARG 36 H ARG 36 -5.803 -3.456 3.877 498 H ARG 36 H ARG 36 -6.084 -2.822 4.180 499 HA ARG 36 HA ARG 36 -7.948 -2.353 2.522 500 HA ARG 36 HA ARG 36 -7.990 -0.839 3.273 501 HB2 ARG 36 HB2 ARG 36 -7.288 -4.805 2.715 502 HB2 ARG 36 HB2 ARG 36 -7.737 -3.076 2.179 503 HB3 ARG 36 HB3 ARG 36 -8.160 -4.821 4.242 504 HB3 ARG 36 HB3 ARG 36 -8.381 -3.813 3.640 505 HG2 ARG 36 HG2 ARG 36 -9.694 -5.641 2.700 506 HG2 ARG 36 HG2 ARG 36 -10.363 -2.130 3.205 507 HG3 ARG 36 HG3 ARG 36 -10.156 -3.951 2.899 508 HG3 ARG 36 HG3 ARG 36 -9.761 -2.223 1.548 509 HD2 ARG 36 HD2 ARG 36 -9.093 -3.348 0.845 510 HD2 ARG 36 HD2 ARG 36 -10.550 -4.573 3.267 511 HD3 ARG 36 HD3 ARG 36 -8.363 -4.945 0.694 512 HD3 ARG 36 HD3 ARG 36 -11.531 -3.869 1.982 513 HE ARG 36 HE ARG 36 -10.998 -4.184 -0.091 514 HE ARG 36 HE ARG 36 -8.929 -4.691 1.101 515 HH11 ARG 36 HH11 ARG 36 -9.077 -6.835 1.097 516 HH11 ARG 36 HH11 ARG 36 -12.187 -5.743 1.730 517 HH12 ARG 36 HH12 ARG 36 -10.109 -8.054 0.424 518 HH12 ARG 36 HH12 ARG 36 -12.105 -7.081 0.631 519 HH21 ARG 36 HH21 ARG 36 -12.363 -5.780 -0.982 520 HH21 ARG 36 HH21 ARG 36 -8.809 -6.449 -0.348 521 HH22 ARG 36 HH22 ARG 36 -11.977 -7.451 -0.759 522 HH22 ARG 36 HH22 ARG 36 -10.183 -7.482 -0.548 523 HA PRO 37 HA PRO 37 -9.873 -0.244 5.993 524 HA PRO 37 HA PRO 37 -9.530 -0.383 7.458 525 HB2 PRO 37 HB2 PRO 37 -11.674 1.103 4.470 526 HB2 PRO 37 HB2 PRO 37 -11.265 1.616 6.857 527 HB3 PRO 37 HB3 PRO 37 -9.988 1.609 4.638 528 HB3 PRO 37 HB3 PRO 37 -9.531 1.880 7.065 529 HG2 PRO 37 HG2 PRO 37 -11.294 0.073 2.425 530 HG2 PRO 37 HG2 PRO 37 -11.109 1.575 4.540 531 HG3 PRO 37 HG3 PRO 37 -10.121 1.399 2.327 532 HG3 PRO 37 HG3 PRO 37 -9.815 2.725 4.916 533 HD2 PRO 37 HD2 PRO 37 -9.411 -1.198 2.034 534 HD2 PRO 37 HD2 PRO 37 -9.394 0.485 3.455 535 HD3 PRO 37 HD3 PRO 37 -8.328 0.013 2.749 536 HD3 PRO 37 HD3 PRO 37 -8.153 1.178 4.518 537 H SER 38 H SER 38 -11.347 -1.173 7.254 538 H SER 38 H SER 38 -11.546 -0.717 8.517 539 HA SER 38 HA SER 38 -13.128 -3.177 6.305 540 HA SER 38 HA SER 38 -13.514 -2.147 6.857 541 HB2 SER 38 HB2 SER 38 -13.994 -3.174 8.637 542 HB2 SER 38 HB2 SER 38 -12.260 -3.465 8.623 543 HB3 SER 38 HB3 SER 38 -12.236 -3.299 8.563 544 HB3 SER 38 HB3 SER 38 -13.104 -2.494 9.830 545 HG SER 38 HG SER 38 -12.824 -1.770 10.108 546 HG SER 38 HG SER 38 -14.079 -4.586 9.185 547 H GLY 39 H GLY 39 -14.033 -0.273 8.158 548 H GLY 39 H GLY 39 -15.772 -2.100 7.724 549 HA2 GLY 39 HA2 GLY 39 -15.522 1.404 7.225 550 HA2 GLY 39 HA2 GLY 39 -16.599 0.609 8.057 551 HA3 GLY 39 HA3 GLY 39 -16.255 0.132 6.260 552 HA3 GLY 39 HA3 GLY 39 -17.642 -0.803 8.080
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