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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 | cing | in_recoord | stage | position | program | type |
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6408 |
1iyg ![]() ![]() |
cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLY 1 H GLY 1 -16.749 14.970 15.283 2 1HA GLY 1 1HA GLY 1 -16.689 15.284 17.562 3 2HA GLY 1 2HA GLY 1 -18.390 14.944 17.310 4 H SER 2 H SER 2 -15.580 14.018 18.999 5 HA SER 2 HA SER 2 -15.100 12.404 20.367 6 1HB SER 2 1HB SER 2 -18.028 11.566 20.267 7 2HB SER 2 2HB SER 2 -16.888 11.239 21.557 8 HG SER 2 HG SER 2 -17.278 13.967 20.841 9 H SER 3 H SER 3 -13.765 11.201 18.922 10 HA SER 3 HA SER 3 -13.102 9.457 17.814 11 1HB SER 3 1HB SER 3 -15.612 8.301 19.049 12 2HB SER 3 2HB SER 3 -14.700 7.344 17.900 13 HG SER 3 HG SER 3 -12.767 7.937 19.342 14 H GLY 4 H GLY 4 -12.992 9.473 15.600 15 1HA GLY 4 1HA GLY 4 -15.449 10.035 14.101 16 2HA GLY 4 2HA GLY 4 -13.798 10.215 13.539 17 H SER 5 H SER 5 -12.696 8.462 12.591 18 HA SER 5 HA SER 5 -12.548 6.635 11.418 19 1HB SER 5 1HB SER 5 -13.823 5.575 13.960 20 2HB SER 5 2HB SER 5 -13.397 4.485 12.655 21 HG SER 5 HG SER 5 -11.340 4.610 13.225 22 H SER 6 H SER 6 -14.228 7.785 9.964 23 HA SER 6 HA SER 6 -16.895 7.073 10.084 24 1HB SER 6 1HB SER 6 -15.899 8.979 8.766 25 2HB SER 6 2HB SER 6 -15.269 7.818 7.613 26 HG SER 6 HG SER 6 -17.258 8.615 6.825 27 H GLY 7 H GLY 7 -14.449 5.968 7.615 28 1HA GLY 7 1HA GLY 7 -14.866 3.229 7.946 29 2HA GLY 7 2HA GLY 7 -16.005 3.787 6.736 30 H MET 8 H MET 8 -15.052 5.217 4.919 31 HA MET 8 HA MET 8 -12.379 4.211 4.314 32 1HB MET 8 1HB MET 8 -14.006 3.195 2.801 33 2HB MET 8 2HB MET 8 -14.824 4.723 2.545 34 1HG MET 8 1HG MET 8 -13.490 5.121 0.753 35 2HG MET 8 2HG MET 8 -12.094 5.163 1.811 36 1HE MET 8 1HE MET 8 -10.444 3.433 2.147 37 2HE MET 8 2HE MET 8 -10.115 2.236 0.870 38 3HE MET 8 3HE MET 8 -10.207 3.968 0.466 39 H GLU 9 H GLU 9 -14.740 6.913 3.844 40 HA GLU 9 HA GLU 9 -13.003 8.626 2.573 41 1HB GLU 9 1HB GLU 9 -15.651 8.689 3.428 42 2HB GLU 9 2HB GLU 9 -14.915 9.938 4.412 43 1HG GLU 9 1HG GLU 9 -13.956 10.992 2.349 44 2HG GLU 9 2HG GLU 9 -14.702 9.746 1.369 45 H ALA 10 H ALA 10 -12.944 7.426 5.803 46 HA ALA 10 HA ALA 10 -11.499 9.753 6.804 47 1HB ALA 10 1HB ALA 10 -12.043 7.243 8.381 48 2HB ALA 10 2HB ALA 10 -11.970 8.935 8.932 49 3HB ALA 10 3HB ALA 10 -13.385 8.356 8.018 50 H VAL 11 H VAL 11 -11.107 6.299 5.910 51 HA VAL 11 HA VAL 11 -8.513 6.000 6.908 52 HB VAL 11 HB VAL 11 -10.260 4.630 4.913 53 1HG1 VAL 11 1HG1 VAL 11 -7.288 4.113 5.237 54 2HG1 VAL 11 2HG1 VAL 11 -8.428 2.953 4.515 55 3HG1 VAL 11 3HG1 VAL 11 -8.164 4.537 3.746 56 1HG2 VAL 11 1HG2 VAL 11 -10.437 3.005 6.500 57 2HG2 VAL 11 2HG2 VAL 11 -8.757 3.203 7.055 58 3HG2 VAL 11 3HG2 VAL 11 -10.009 4.357 7.575 59 H LEU 12 H LEU 12 -9.785 7.071 3.697 60 HA LEU 12 HA LEU 12 -7.197 7.366 2.584 61 1HB LEU 12 1HB LEU 12 -9.997 7.911 1.810 62 2HB LEU 12 2HB LEU 12 -8.789 8.924 1.045 63 HG LEU 12 HG LEU 12 -9.017 5.911 0.924 64 1HD1 LEU 12 1HD1 LEU 12 -9.926 6.177 -1.095 65 2HD1 LEU 12 2HD1 LEU 12 -10.179 7.876 -0.628 66 3HD1 LEU 12 3HD1 LEU 12 -8.737 7.416 -1.567 67 1HD2 LEU 12 1HD2 LEU 12 -6.994 6.190 -0.677 68 2HD2 LEU 12 2HD2 LEU 12 -6.696 7.691 0.232 69 3HD2 LEU 12 3HD2 LEU 12 -6.716 6.125 1.080 70 H ASN 13 H ASN 13 -9.550 9.562 4.206 71 HA ASN 13 HA ASN 13 -8.274 11.914 3.701 72 1HB ASN 13 1HB ASN 13 -10.248 10.886 5.619 73 2HB ASN 13 2HB ASN 13 -9.226 12.086 6.383 74 1HD2 ASN 13 1HD2 ASN 13 -11.253 11.429 3.566 75 2HD2 ASN 13 2HD2 ASN 13 -11.742 13.060 3.246 76 H GLU 14 H GLU 14 -8.087 9.922 6.760 77 HA GLU 14 HA GLU 14 -5.964 11.327 7.823 78 1HB GLU 14 1HB GLU 14 -7.616 9.162 8.576 79 2HB GLU 14 2HB GLU 14 -5.989 8.516 8.644 80 1HG GLU 14 1HG GLU 14 -5.541 10.914 9.856 81 2HG GLU 14 2HG GLU 14 -7.232 10.716 10.267 82 H LEU 15 H LEU 15 -3.716 11.122 7.701 83 HA LEU 15 HA LEU 15 -2.750 9.043 5.866 84 1HB LEU 15 1HB LEU 15 -0.985 10.730 5.234 85 2HB LEU 15 2HB LEU 15 -2.602 10.990 4.610 86 HG LEU 15 HG LEU 15 -2.784 12.526 6.800 87 1HD1 LEU 15 1HD1 LEU 15 -0.389 13.762 6.639 88 2HD1 LEU 15 2HD1 LEU 15 -0.795 12.534 7.862 89 3HD1 LEU 15 3HD1 LEU 15 0.115 12.071 6.405 90 1HD2 LEU 15 1HD2 LEU 15 -1.682 14.351 5.143 91 2HD2 LEU 15 2HD2 LEU 15 -1.971 13.021 3.996 92 3HD2 LEU 15 3HD2 LEU 15 -3.321 13.689 4.945 93 H VAL 16 H VAL 16 -0.291 8.664 6.209 94 HA VAL 16 HA VAL 16 0.041 7.893 8.893 95 HB VAL 16 HB VAL 16 1.175 7.346 6.401 96 1HG1 VAL 16 1HG1 VAL 16 3.508 7.666 6.553 97 2HG1 VAL 16 2HG1 VAL 16 2.799 9.231 7.018 98 3HG1 VAL 16 3HG1 VAL 16 3.421 8.127 8.269 99 1HG2 VAL 16 1HG2 VAL 16 1.635 6.348 9.210 100 2HG2 VAL 16 2HG2 VAL 16 0.763 5.572 7.866 101 3HG2 VAL 16 3HG2 VAL 16 2.540 5.671 7.835 102 H SER 17 H SER 17 2.017 8.540 10.235 103 HA SER 17 HA SER 17 2.441 11.408 9.916 104 1HB SER 17 1HB SER 17 2.385 10.001 12.608 105 2HB SER 17 2HB SER 17 2.299 11.722 12.290 106 HG SER 17 HG SER 17 0.279 9.737 11.688 107 H VAL 18 H VAL 18 4.588 12.111 10.068 108 HA VAL 18 HA VAL 18 6.655 10.504 9.520 109 HB VAL 18 HB VAL 18 6.557 13.013 9.622 110 1HG1 VAL 18 1HG1 VAL 18 7.346 12.604 12.526 111 2HG1 VAL 18 2HG1 VAL 18 7.205 14.153 11.662 112 3HG1 VAL 18 3HG1 VAL 18 5.752 13.172 11.971 113 1HG2 VAL 18 1HG2 VAL 18 8.969 11.555 10.742 114 2HG2 VAL 18 2HG2 VAL 18 8.627 11.957 9.041 115 3HG2 VAL 18 3HG2 VAL 18 8.997 13.252 10.206 116 H GLU 19 H GLU 19 5.623 11.461 12.869 117 HA GLU 19 HA GLU 19 7.491 10.188 14.292 118 1HB GLU 19 1HB GLU 19 5.211 11.475 14.920 119 2HB GLU 19 2HB GLU 19 4.643 9.841 15.200 120 1HG GLU 19 1HG GLU 19 6.736 9.478 16.650 121 2HG GLU 19 2HG GLU 19 7.039 11.199 16.511 122 H ASP 20 H ASP 20 4.567 8.711 12.769 123 HA ASP 20 HA ASP 20 5.139 6.162 13.840 124 1HB ASP 20 1HB ASP 20 3.185 7.367 11.916 125 2HB ASP 20 2HB ASP 20 3.492 5.655 11.705 126 H LEU 21 H LEU 21 5.160 7.591 10.478 127 HA LEU 21 HA LEU 21 6.185 5.545 9.067 128 1HB LEU 21 1HB LEU 21 5.493 7.907 8.367 129 2HB LEU 21 2HB LEU 21 7.150 8.373 8.700 130 HG LEU 21 HG LEU 21 6.670 7.904 6.302 131 1HD1 LEU 21 1HD1 LEU 21 8.675 5.862 7.188 132 2HD1 LEU 21 2HD1 LEU 21 8.765 7.062 5.876 133 3HD1 LEU 21 3HD1 LEU 21 8.943 7.580 7.570 134 1HD2 LEU 21 1HD2 LEU 21 5.220 5.791 7.135 135 2HD2 LEU 21 2HD2 LEU 21 5.896 5.943 5.495 136 3HD2 LEU 21 3HD2 LEU 21 6.746 4.972 6.721 137 H LYS 22 H LYS 22 8.007 7.821 11.188 138 HA LYS 22 HA LYS 22 10.541 6.834 10.526 139 1HB LYS 22 1HB LYS 22 9.419 8.392 12.851 140 2HB LYS 22 2HB LYS 22 11.090 7.867 12.844 141 1HG LYS 22 1HG LYS 22 10.038 9.232 10.369 142 2HG LYS 22 2HG LYS 22 10.342 10.224 11.781 143 1HD LYS 22 1HD LYS 22 12.654 8.770 11.761 144 2HD LYS 22 2HD LYS 22 12.285 8.734 10.048 145 1HE LYS 22 1HE LYS 22 11.812 11.399 10.643 146 2HE LYS 22 2HE LYS 22 13.111 11.028 11.758 147 1HZ LYS 22 1HZ LYS 22 13.701 9.898 9.283 148 2HZ LYS 22 2HZ LYS 22 13.297 11.462 9.042 149 3HZ LYS 22 3HZ LYS 22 14.504 11.081 10.074 150 H ASN 23 H ASN 23 8.161 5.944 13.092 151 HA ASN 23 HA ASN 23 9.713 4.210 14.479 152 1HB ASN 23 1HB ASN 23 6.886 4.787 14.183 153 2HB ASN 23 2HB ASN 23 7.076 3.044 14.222 154 1HD2 ASN 23 1HD2 ASN 23 5.755 3.769 16.232 155 2HD2 ASN 23 2HD2 ASN 23 6.648 3.920 17.708 156 H PHE 24 H PHE 24 7.721 3.691 11.495 157 HA PHE 24 HA PHE 24 8.340 0.918 11.340 158 1HB PHE 24 1HB PHE 24 7.138 3.085 9.536 159 2HB PHE 24 2HB PHE 24 7.376 1.462 8.921 160 HD1 PHE 24 1HD PHE 24 5.318 3.597 10.976 161 HD2 PHE 24 2HD PHE 24 6.147 -0.443 9.979 162 HE1 PHE 24 1HE PHE 24 3.112 2.904 11.953 163 HE2 PHE 24 2HE PHE 24 3.941 -1.137 10.957 164 HZ PHE 24 HZ PHE 24 2.451 0.545 11.931 165 H GLU 25 H GLU 25 9.363 3.874 9.489 166 HA GLU 25 HA GLU 25 10.990 2.664 7.706 167 1HB GLU 25 1HB GLU 25 10.339 5.194 8.106 168 2HB GLU 25 2HB GLU 25 11.837 5.259 9.013 169 1HG GLU 25 1HG GLU 25 13.162 4.679 7.099 170 2HG GLU 25 2HG GLU 25 11.772 4.097 6.204 171 H ARG 26 H ARG 26 11.480 3.135 11.174 172 HA ARG 26 HA ARG 26 14.265 2.793 11.099 173 1HB ARG 26 1HB ARG 26 13.715 3.736 13.132 174 2HB ARG 26 2HB ARG 26 12.124 3.002 13.155 175 1HG ARG 26 1HG ARG 26 12.955 0.933 14.030 176 2HG ARG 26 2HG ARG 26 14.608 1.307 13.588 177 1HD ARG 26 1HD ARG 26 14.898 2.070 15.712 178 2HD ARG 26 2HD ARG 26 13.894 3.440 15.279 179 HE ARG 26 HE ARG 26 12.154 2.529 16.549 180 1HH1 ARG 26 1HH1 ARG 26 14.495 0.000 15.839 181 2HH1 ARG 26 2HH1 ARG 26 13.726 -1.174 16.855 182 1HH2 ARG 26 1HH2 ARG 26 11.139 0.982 17.889 183 2HH2 ARG 26 2HH2 ARG 26 11.804 -0.612 18.029 184 H LYS 27 H LYS 27 11.435 0.635 11.797 185 HA LYS 27 HA LYS 27 12.931 -1.636 12.426 186 1HB LYS 27 1HB LYS 27 10.283 -0.931 12.469 187 2HB LYS 27 2HB LYS 27 10.311 -2.064 11.134 188 1HG LYS 27 1HG LYS 27 10.708 -3.854 12.501 189 2HG LYS 27 2HG LYS 27 11.917 -2.994 13.434 190 1HD LYS 27 1HD LYS 27 10.252 -1.953 14.834 191 2HD LYS 27 2HD LYS 27 8.949 -2.391 13.747 192 1HE LYS 27 1HE LYS 27 9.323 -4.807 14.256 193 2HE LYS 27 2HE LYS 27 10.649 -4.386 15.321 194 1HZ LYS 27 1HZ LYS 27 8.763 -4.626 16.648 195 2HZ LYS 27 2HZ LYS 27 8.993 -3.012 16.553 196 3HZ LYS 27 3HZ LYS 27 7.816 -3.722 15.670 197 H PHE 28 H PHE 28 11.503 -0.482 9.303 198 HA PHE 28 HA PHE 28 12.229 -2.638 7.761 199 1HB PHE 28 1HB PHE 28 10.839 -0.459 7.289 200 2HB PHE 28 2HB PHE 28 12.374 0.331 6.984 201 HD1 PHE 28 1HD PHE 28 10.390 -2.632 5.889 202 HD2 PHE 28 2HD PHE 28 13.231 0.338 4.832 203 HE1 PHE 28 1HE PHE 28 10.317 -3.411 3.504 204 HE2 PHE 28 2HE PHE 28 13.160 -0.443 2.447 205 HZ PHE 28 HZ PHE 28 11.704 -2.309 1.812 206 H GLN 29 H GLN 29 14.093 0.412 8.413 207 HA GLN 29 HA GLN 29 16.258 -0.327 6.849 208 1HB GLN 29 1HB GLN 29 15.911 1.619 9.153 209 2HB GLN 29 2HB GLN 29 17.471 1.406 8.383 210 1HG GLN 29 1HG GLN 29 16.047 1.743 6.137 211 2HG GLN 29 2HG GLN 29 14.917 2.530 7.221 212 1HE2 GLN 29 1HE2 GLN 29 15.339 4.464 6.074 213 2HE2 GLN 29 2HE2 GLN 29 16.738 5.431 6.402 214 H SER 30 H SER 30 15.884 -0.385 10.472 215 HA SER 30 HA SER 30 18.245 -1.530 11.075 216 1HB SER 30 1HB SER 30 16.084 -0.792 12.510 217 2HB SER 30 2HB SER 30 15.817 -2.524 12.547 218 HG SER 30 HG SER 30 18.401 -1.435 13.199 219 H GLU 31 H GLU 31 15.106 -3.296 10.518 220 HA GLU 31 HA GLU 31 16.011 -5.815 10.768 221 1HB GLU 31 1HB GLU 31 13.896 -4.592 8.976 222 2HB GLU 31 2HB GLU 31 14.202 -6.317 8.918 223 1HG GLU 31 1HG GLU 31 13.752 -4.933 11.585 224 2HG GLU 31 2HG GLU 31 12.385 -5.389 10.587 225 H GLN 32 H GLN 32 16.434 -3.584 8.002 226 HA GLN 32 HA GLN 32 17.289 -5.485 6.175 227 1HB GLN 32 1HB GLN 32 16.685 -2.882 5.986 228 2HB GLN 32 2HB GLN 32 18.420 -2.691 6.136 229 1HG GLN 32 1HG GLN 32 18.792 -4.194 4.205 230 2HG GLN 32 2HG GLN 32 17.073 -4.513 4.087 231 1HE2 GLN 32 1HE2 GLN 32 15.669 -2.959 3.321 232 2HE2 GLN 32 2HE2 GLN 32 16.184 -1.548 2.460 233 H ALA 33 H ALA 33 19.243 -3.178 8.210 234 HA ALA 33 HA ALA 33 21.693 -4.404 7.534 235 1HB ALA 33 1HB ALA 33 22.254 -2.376 8.339 236 2HB ALA 33 2HB ALA 33 20.687 -2.195 9.165 237 3HB ALA 33 3HB ALA 33 22.023 -3.056 9.969 238 H ALA 34 H ALA 34 19.070 -5.452 9.440 239 HA ALA 34 HA ALA 34 20.554 -6.723 11.512 240 1HB ALA 34 1HB ALA 34 17.951 -6.006 11.155 241 2HB ALA 34 2HB ALA 34 17.861 -7.737 10.754 242 3HB ALA 34 3HB ALA 34 18.486 -7.223 12.338 243 H GLY 35 H GLY 35 19.285 -7.623 8.273 244 1HA GLY 35 1HA GLY 35 21.173 -9.483 7.649 245 2HA GLY 35 2HA GLY 35 19.984 -10.396 8.556 246 H SER 36 H SER 36 17.687 -8.658 7.715 247 HA SER 36 HA SER 36 17.458 -8.348 5.043 248 1HB SER 36 1HB SER 36 16.099 -10.475 4.462 249 2HB SER 36 2HB SER 36 17.846 -10.615 4.498 250 HG SER 36 HG SER 36 17.598 -12.147 5.960 251 H VAL 37 H VAL 37 15.520 -7.257 4.733 252 HA VAL 37 HA VAL 37 13.850 -6.841 6.957 253 HB VAL 37 HB VAL 37 13.732 -6.128 4.034 254 1HG1 VAL 37 1HG1 VAL 37 11.517 -5.843 4.206 255 2HG1 VAL 37 2HG1 VAL 37 11.539 -6.105 5.966 256 3HG1 VAL 37 3HG1 VAL 37 11.879 -4.489 5.303 257 1HG2 VAL 37 1HG2 VAL 37 15.058 -5.036 6.267 258 2HG2 VAL 37 2HG2 VAL 37 14.885 -4.317 4.648 259 3HG2 VAL 37 3HG2 VAL 37 13.703 -3.935 5.923 260 H SER 38 H SER 38 11.941 -7.786 7.592 261 HA SER 38 HA SER 38 11.270 -10.200 6.181 262 1HB SER 38 1HB SER 38 10.072 -9.063 8.746 263 2HB SER 38 2HB SER 38 9.868 -10.695 8.142 264 HG SER 38 HG SER 38 12.478 -10.449 8.226 265 H LYS 39 H LYS 39 9.293 -10.572 5.099 266 HA LYS 39 HA LYS 39 8.059 -8.586 3.787 267 1HB LYS 39 1HB LYS 39 6.597 -10.175 3.053 268 2HB LYS 39 2HB LYS 39 7.819 -11.220 3.749 269 1HG LYS 39 1HG LYS 39 5.422 -10.239 5.357 270 2HG LYS 39 2HG LYS 39 5.363 -11.705 4.399 271 1HD LYS 39 1HD LYS 39 6.841 -12.854 5.794 272 2HD LYS 39 2HD LYS 39 7.697 -11.402 6.272 273 1HE LYS 39 1HE LYS 39 6.303 -11.013 8.050 274 2HE LYS 39 2HE LYS 39 4.862 -11.391 7.127 275 1HZ LYS 39 1HZ LYS 39 5.574 -12.951 8.983 276 2HZ LYS 39 2HZ LYS 39 5.094 -13.620 7.572 277 3HZ LYS 39 3HZ LYS 39 6.684 -13.525 7.932 278 H SER 40 H SER 40 7.384 -9.693 7.130 279 HA SER 40 HA SER 40 5.031 -8.525 7.616 280 1HB SER 40 1HB SER 40 6.216 -7.969 9.966 281 2HB SER 40 2HB SER 40 5.819 -9.608 9.487 282 HG SER 40 HG SER 40 8.177 -8.845 10.215 283 H THR 41 H THR 41 8.168 -6.870 8.451 284 HA THR 41 HA THR 41 7.043 -4.346 8.760 285 HB THR 41 HB THR 41 9.879 -5.196 7.967 286 HG1 THR 41 1HG THR 41 9.962 -5.682 10.148 287 1HG2 THR 41 1HG2 THR 41 10.626 -3.120 8.886 288 2HG2 THR 41 2HG2 THR 41 9.225 -2.648 7.895 289 3HG2 THR 41 3HG2 THR 41 9.055 -2.802 9.660 290 H GLN 42 H GLN 42 8.205 -6.041 5.837 291 HA GLN 42 HA GLN 42 8.455 -3.961 4.145 292 1HB GLN 42 1HB GLN 42 8.742 -6.513 3.755 293 2HB GLN 42 2HB GLN 42 7.040 -6.528 3.339 294 1HG GLN 42 1HG GLN 42 7.409 -4.894 1.535 295 2HG GLN 42 2HG GLN 42 9.083 -4.690 2.008 296 1HE2 GLN 42 1HE2 GLN 42 7.687 -5.677 -0.465 297 2HE2 GLN 42 2HE2 GLN 42 8.434 -7.190 -0.857 298 H PHE 43 H PHE 43 5.392 -5.888 4.586 299 HA PHE 43 HA PHE 43 3.803 -4.185 3.087 300 1HB PHE 43 1HB PHE 43 2.989 -6.378 3.676 301 2HB PHE 43 2HB PHE 43 3.454 -6.192 5.356 302 HD1 PHE 43 1HD PHE 43 0.978 -5.119 2.824 303 HD2 PHE 43 2HD PHE 43 1.929 -5.349 6.954 304 HE1 PHE 43 1HE PHE 43 -1.374 -4.460 3.403 305 HE2 PHE 43 2HE PHE 43 -0.423 -4.692 7.533 306 HZ PHE 43 HZ PHE 43 -2.047 -4.255 5.750 307 H GLU 44 H GLU 44 4.772 -4.095 6.539 308 HA GLU 44 HA GLU 44 2.885 -2.277 7.385 309 1HB GLU 44 1HB GLU 44 5.733 -2.807 8.327 310 2HB GLU 44 2HB GLU 44 4.633 -1.744 9.182 311 1HG GLU 44 1HG GLU 44 3.074 -4.028 8.779 312 2HG GLU 44 2HG GLU 44 4.669 -4.702 9.051 313 H TYR 45 H TYR 45 6.395 -1.464 6.903 314 HA TYR 45 HA TYR 45 6.165 1.226 6.826 315 1HB TYR 45 1HB TYR 45 8.265 -0.168 6.717 316 2HB TYR 45 2HB TYR 45 7.832 -0.718 5.111 317 HD1 TYR 45 1HD TYR 45 8.203 2.598 6.850 318 HD2 TYR 45 2HD TYR 45 9.056 0.226 3.394 319 HE1 TYR 45 1HE TYR 45 9.496 4.536 5.830 320 HE2 TYR 45 2HE TYR 45 10.347 2.171 2.385 321 HH TYR 45 HH TYR 45 11.618 4.416 3.807 322 H ALA 46 H ALA 46 5.764 -1.044 4.030 323 HA ALA 46 HA ALA 46 5.476 0.838 2.047 324 1HB ALA 46 1HB ALA 46 5.604 -1.753 1.977 325 2HB ALA 46 2HB ALA 46 3.837 -1.704 2.181 326 3HB ALA 46 3HB ALA 46 4.591 -0.934 0.764 327 H TRP 47 H TRP 47 2.866 -0.718 4.047 328 HA TRP 47 HA TRP 47 0.789 0.800 2.993 329 1HB TRP 47 1HB TRP 47 0.326 -1.201 4.183 330 2HB TRP 47 2HB TRP 47 1.146 -0.630 5.623 331 HD1 TRP 47 HD TRP 47 -0.665 -0.127 7.428 332 HE1 TRP 47 1HE TRP 47 -3.050 0.991 7.590 333 HE3 TRP 47 3HE TRP 47 -1.136 0.825 2.455 334 HZ2 TRP 47 2HZ TRP 47 -4.825 2.123 5.664 335 HZ3 TRP 47 3HZ TRP 47 -3.226 1.938 1.679 336 HH2 TRP 47 HH TRP 47 -5.033 2.583 3.193 337 H CYS 48 H CYS 48 3.228 1.409 5.538 338 HA CYS 48 HA CYS 48 1.964 3.635 6.665 339 1HB CYS 48 1HB CYS 48 4.917 2.931 6.579 340 2HB CYS 48 2HB CYS 48 4.194 4.144 7.617 341 HG CYS 48 HG CYS 48 4.521 1.053 7.956 342 H LEU 49 H LEU 49 4.296 3.146 3.954 343 HA LEU 49 HA LEU 49 4.827 5.839 3.470 344 1HB LEU 49 1HB LEU 49 4.953 3.341 1.805 345 2HB LEU 49 2HB LEU 49 5.326 4.908 1.115 346 HG LEU 49 HG LEU 49 6.726 3.804 3.561 347 1HD1 LEU 49 1HD1 LEU 49 7.253 3.355 0.648 348 2HD1 LEU 49 2HD1 LEU 49 8.625 3.497 1.774 349 3HD1 LEU 49 3HD1 LEU 49 7.393 2.235 2.024 350 1HD2 LEU 49 1HD2 LEU 49 6.683 6.327 3.005 351 2HD2 LEU 49 2HD2 LEU 49 8.247 5.552 3.357 352 3HD2 LEU 49 3HD2 LEU 49 7.783 5.897 1.674 353 H VAL 50 H VAL 50 2.652 3.653 1.539 354 HA VAL 50 HA VAL 50 1.453 5.496 0.002 355 HB VAL 50 HB VAL 50 -0.597 3.991 0.195 356 1HG1 VAL 50 1HG1 VAL 50 0.512 2.140 -0.984 357 2HG1 VAL 50 2HG1 VAL 50 1.121 3.720 -1.534 358 3HG1 VAL 50 3HG1 VAL 50 2.096 2.728 -0.423 359 1HG2 VAL 50 1HG2 VAL 50 -0.611 2.975 2.253 360 2HG2 VAL 50 2HG2 VAL 50 0.203 1.711 1.301 361 3HG2 VAL 50 3HG2 VAL 50 1.161 2.818 2.314 362 H ARG 51 H ARG 51 0.769 4.809 3.466 363 HA ARG 51 HA ARG 51 -1.485 6.392 3.629 364 1HB ARG 51 1HB ARG 51 0.576 5.396 5.616 365 2HB ARG 51 2HB ARG 51 -0.622 6.555 6.158 366 1HG ARG 51 1HG ARG 51 -2.457 5.071 5.501 367 2HG ARG 51 2HG ARG 51 -1.347 3.964 4.717 368 1HD ARG 51 1HD ARG 51 -1.947 3.056 6.913 369 2HD ARG 51 2HD ARG 51 -0.254 3.506 6.934 370 HE ARG 51 HE ARG 51 -1.640 5.789 7.816 371 1HH1 ARG 51 1HH1 ARG 51 -1.281 2.451 8.871 372 2HH1 ARG 51 2HH1 ARG 51 -1.519 2.821 10.546 373 1HH2 ARG 51 1HH2 ARG 51 -1.955 6.277 10.026 374 2HH2 ARG 51 2HH2 ARG 51 -1.906 5.011 11.208 375 H SER 52 H SER 52 2.027 7.106 4.059 376 HA SER 52 HA SER 52 2.064 9.483 5.183 377 1HB SER 52 1HB SER 52 4.044 8.292 4.251 378 2HB SER 52 2HB SER 52 3.570 8.758 2.630 379 HG SER 52 HG SER 52 4.913 10.224 4.566 380 H LYS 53 H LYS 53 2.153 11.770 4.328 381 HA LYS 53 HA LYS 53 -0.093 12.202 2.584 382 1HB LYS 53 1HB LYS 53 0.239 14.570 3.179 383 2HB LYS 53 2HB LYS 53 0.101 13.538 4.588 384 1HG LYS 53 1HG LYS 53 2.070 14.388 5.323 385 2HG LYS 53 2HG LYS 53 2.867 13.546 4.009 386 1HD LYS 53 1HD LYS 53 3.532 15.676 3.432 387 2HD LYS 53 2HD LYS 53 1.979 15.702 2.619 388 1HE LYS 53 1HE LYS 53 1.249 16.452 5.184 389 2HE LYS 53 2HE LYS 53 2.855 17.147 5.072 390 1HZ LYS 53 1HZ LYS 53 1.495 18.745 4.179 391 2HZ LYS 53 2HZ LYS 53 2.040 17.998 2.832 392 3HZ LYS 53 3HZ LYS 53 0.536 17.686 3.388 393 H TYR 54 H TYR 54 3.315 11.779 2.276 394 HA TYR 54 HA TYR 54 3.536 13.454 -0.072 395 1HB TYR 54 1HB TYR 54 5.217 11.661 1.716 396 2HB TYR 54 2HB TYR 54 5.817 11.922 0.092 397 HD1 TYR 54 1HD TYR 54 4.591 13.843 3.070 398 HD2 TYR 54 2HD TYR 54 7.169 13.774 -0.345 399 HE1 TYR 54 1HE TYR 54 5.628 16.046 3.800 400 HE2 TYR 54 2HE TYR 54 8.197 15.978 0.398 401 HH TYR 54 HH TYR 54 8.005 17.143 3.373 402 H ASN 55 H ASN 55 3.796 12.728 -2.212 403 HA ASN 55 HA ASN 55 2.418 10.373 -2.805 404 1HB ASN 55 1HB ASN 55 4.235 12.114 -4.555 405 2HB ASN 55 2HB ASN 55 3.163 10.875 -5.177 406 1HD2 ASN 55 1HD2 ASN 55 2.234 12.608 -6.406 407 2HD2 ASN 55 2HD2 ASN 55 1.019 13.633 -5.716 408 H GLU 56 H GLU 56 5.898 11.399 -2.901 409 HA GLU 56 HA GLU 56 7.089 9.371 -4.106 410 1HB GLU 56 1HB GLU 56 7.812 11.181 -1.879 411 2HB GLU 56 2HB GLU 56 8.761 9.709 -1.911 412 1HG GLU 56 1HG GLU 56 8.486 10.730 -4.621 413 2HG GLU 56 2HG GLU 56 9.056 12.016 -3.576 414 H ASP 57 H ASP 57 6.004 9.349 -0.645 415 HA ASP 57 HA ASP 57 6.963 6.921 0.061 416 1HB ASP 57 1HB ASP 57 4.272 8.169 0.791 417 2HB ASP 57 2HB ASP 57 5.008 6.841 1.665 418 H ILE 58 H ILE 58 3.757 7.767 -1.445 419 HA ILE 58 HA ILE 58 2.668 5.247 -1.534 420 HB ILE 58 HB ILE 58 2.373 7.675 -3.281 421 1HG1 ILE 58 1HG1 ILE 58 0.330 6.456 -1.430 422 2HG1 ILE 58 2HG1 ILE 58 1.589 7.506 -0.813 423 1HG2 ILE 58 1HG2 ILE 58 0.547 6.687 -4.443 424 2HG2 ILE 58 2HG2 ILE 58 1.928 5.575 -4.595 425 3HG2 ILE 58 3HG2 ILE 58 0.618 5.216 -3.443 426 1HD1 ILE 58 1HD1 ILE 58 0.431 9.324 -1.491 427 2HD1 ILE 58 2HD1 ILE 58 0.485 8.745 -3.174 428 3HD1 ILE 58 3HD1 ILE 58 -0.855 8.258 -2.107 429 H ARG 59 H ARG 59 5.019 6.828 -3.749 430 HA ARG 59 HA ARG 59 4.925 4.857 -5.684 431 1HB ARG 59 1HB ARG 59 6.085 7.259 -5.600 432 2HB ARG 59 2HB ARG 59 7.485 6.359 -5.051 433 1HG ARG 59 1HG ARG 59 7.341 4.901 -7.084 434 2HG ARG 59 2HG ARG 59 5.944 5.806 -7.632 435 1HD ARG 59 1HD ARG 59 7.204 7.719 -8.156 436 2HD ARG 59 2HD ARG 59 8.448 7.358 -6.974 437 HE ARG 59 HE ARG 59 8.433 5.293 -8.971 438 1HH1 ARG 59 1HH1 ARG 59 9.309 8.676 -8.561 439 2HH1 ARG 59 2HH1 ARG 59 10.530 8.641 -9.788 440 1HH2 ARG 59 1HH2 ARG 59 10.044 5.246 -10.591 441 2HH2 ARG 59 2HH2 ARG 59 10.951 6.676 -10.951 442 H ARG 60 H ARG 60 7.299 5.416 -2.977 443 HA ARG 60 HA ARG 60 8.580 2.958 -3.486 444 1HB ARG 60 1HB ARG 60 9.780 3.486 -1.306 445 2HB ARG 60 2HB ARG 60 9.870 4.767 -2.497 446 1HG ARG 60 1HG ARG 60 7.502 5.343 -1.090 447 2HG ARG 60 2HG ARG 60 8.591 4.773 0.159 448 1HD ARG 60 1HD ARG 60 8.985 7.116 -1.741 449 2HD ARG 60 2HD ARG 60 8.982 7.136 0.011 450 HE ARG 60 HE ARG 60 11.081 5.403 -0.959 451 1HH1 ARG 60 1HH1 ARG 60 10.254 8.800 -0.566 452 2HH1 ARG 60 2HH1 ARG 60 11.903 9.322 -0.469 453 1HH2 ARG 60 1HH2 ARG 60 13.256 6.090 -0.831 454 2HH2 ARG 60 2HH2 ARG 60 13.622 7.769 -0.620 455 H GLY 61 H GLY 61 5.550 3.560 -2.328 456 1HA GLY 61 1HA GLY 61 5.619 1.621 -0.126 457 2HA GLY 61 2HA GLY 61 4.305 2.701 -0.546 458 H ILE 62 H ILE 62 4.000 2.264 -3.314 459 HA ILE 62 HA ILE 62 2.452 -0.042 -3.328 460 HB ILE 62 HB ILE 62 3.583 1.645 -5.558 461 1HG1 ILE 62 1HG1 ILE 62 0.750 1.579 -4.509 462 2HG1 ILE 62 2HG1 ILE 62 1.973 2.624 -3.812 463 1HG2 ILE 62 1HG2 ILE 62 2.708 0.309 -7.109 464 2HG2 ILE 62 2HG2 ILE 62 2.563 -0.926 -5.837 465 3HG2 ILE 62 3HG2 ILE 62 1.183 0.134 -6.208 466 1HD1 ILE 62 1HD1 ILE 62 2.426 3.457 -6.223 467 2HD1 ILE 62 2HD1 ILE 62 0.908 2.638 -6.660 468 3HD1 ILE 62 3HD1 ILE 62 0.895 3.962 -5.470 469 H VAL 63 H VAL 63 5.691 0.579 -4.854 470 HA VAL 63 HA VAL 63 6.219 -1.744 -6.017 471 HB VAL 63 HB VAL 63 7.916 -0.223 -6.125 472 1HG1 VAL 63 1HG1 VAL 63 7.948 1.434 -4.630 473 2HG1 VAL 63 2HG1 VAL 63 7.098 0.437 -3.426 474 3HG1 VAL 63 3HG1 VAL 63 8.872 0.366 -3.547 475 1HG2 VAL 63 1HG2 VAL 63 9.920 -1.140 -4.926 476 2HG2 VAL 63 2HG2 VAL 63 8.826 -2.219 -4.028 477 3HG2 VAL 63 3HG2 VAL 63 8.964 -2.364 -5.797 478 H LEU 64 H LEU 64 6.955 -1.207 -2.493 479 HA LEU 64 HA LEU 64 7.554 -3.831 -1.923 480 1HB LEU 64 1HB LEU 64 6.153 -2.148 0.102 481 2HB LEU 64 2HB LEU 64 7.538 -3.207 0.284 482 HG LEU 64 HG LEU 64 7.476 -0.424 -0.895 483 1HD1 LEU 64 1HD1 LEU 64 8.281 -1.614 1.671 484 2HD1 LEU 64 2HD1 LEU 64 9.487 -0.516 0.958 485 3HD1 LEU 64 3HD1 LEU 64 7.831 0.059 1.263 486 1HD2 LEU 64 1HD2 LEU 64 9.420 -2.615 -1.342 487 2HD2 LEU 64 2HD2 LEU 64 9.029 -1.193 -2.340 488 3HD2 LEU 64 3HD2 LEU 64 10.105 -1.024 -0.932 489 H LEU 65 H LEU 65 4.361 -2.126 -1.720 490 HA LEU 65 HA LEU 65 2.904 -4.267 -0.771 491 1HB LEU 65 1HB LEU 65 2.439 -1.655 -1.808 492 2HB LEU 65 2HB LEU 65 1.320 -2.752 -2.591 493 HG LEU 65 HG LEU 65 0.267 -3.336 -0.587 494 1HD1 LEU 65 1HD1 LEU 65 1.786 -3.959 0.983 495 2HD1 LEU 65 2HD1 LEU 65 2.849 -2.565 0.679 496 3HD1 LEU 65 3HD1 LEU 65 1.366 -2.359 1.640 497 1HD2 LEU 65 1HD2 LEU 65 0.136 -0.973 0.659 498 2HD2 LEU 65 2HD2 LEU 65 0.925 -0.448 -0.847 499 3HD2 LEU 65 3HD2 LEU 65 -0.645 -1.285 -0.910 500 H GLU 66 H GLU 66 3.818 -3.373 -4.143 501 HA GLU 66 HA GLU 66 2.333 -5.508 -5.238 502 1HB GLU 66 1HB GLU 66 4.385 -3.550 -6.295 503 2HB GLU 66 2HB GLU 66 3.892 -4.908 -7.289 504 1HG GLU 66 1HG GLU 66 1.483 -4.210 -6.990 505 2HG GLU 66 2HG GLU 66 2.023 -2.815 -6.077 506 H GLU 67 H GLU 67 5.324 -5.286 -3.552 507 HA GLU 67 HA GLU 67 6.531 -7.481 -4.942 508 1HB GLU 67 1HB GLU 67 7.316 -5.657 -2.673 509 2HB GLU 67 2HB GLU 67 8.157 -7.187 -2.837 510 1HG GLU 67 1HG GLU 67 8.192 -6.312 -5.451 511 2HG GLU 67 2HG GLU 67 8.234 -4.781 -4.602 512 H LEU 68 H LEU 68 4.495 -6.884 -2.118 513 HA LEU 68 HA LEU 68 5.022 -9.539 -1.064 514 1HB LEU 68 1HB LEU 68 3.163 -7.387 -0.048 515 2HB LEU 68 2HB LEU 68 3.637 -8.850 0.791 516 HG LEU 68 HG LEU 68 5.868 -7.086 -0.046 517 1HD1 LEU 68 1HD1 LEU 68 5.366 -5.745 2.168 518 2HD1 LEU 68 2HD1 LEU 68 4.673 -5.245 0.607 519 3HD1 LEU 68 3HD1 LEU 68 3.680 -6.157 1.770 520 1HD2 LEU 68 1HD2 LEU 68 6.958 -8.189 1.551 521 2HD2 LEU 68 2HD2 LEU 68 5.684 -7.876 2.755 522 3HD2 LEU 68 3HD2 LEU 68 5.537 -9.258 1.641 523 H LEU 69 H LEU 69 2.960 -7.940 -3.322 524 HA LEU 69 HA LEU 69 0.563 -9.255 -2.969 525 1HB LEU 69 1HB LEU 69 1.895 -7.691 -5.000 526 2HB LEU 69 2HB LEU 69 0.974 -8.990 -5.734 527 HG LEU 69 HG LEU 69 -0.450 -7.106 -5.663 528 1HD1 LEU 69 1HD1 LEU 69 -1.853 -8.058 -3.387 529 2HD1 LEU 69 2HD1 LEU 69 -2.144 -8.421 -5.105 530 3HD1 LEU 69 3HD1 LEU 69 -1.057 -9.456 -4.149 531 1HD2 LEU 69 1HD2 LEU 69 0.693 -5.680 -4.126 532 2HD2 LEU 69 2HD2 LEU 69 -0.972 -5.898 -3.533 533 3HD2 LEU 69 3HD2 LEU 69 0.369 -6.784 -2.767 534 HA PRO 70 HA PRO 70 2.237 -12.784 -5.595 535 1HB PRO 70 1HB PRO 70 4.798 -12.753 -6.550 536 2HB PRO 70 2HB PRO 70 3.420 -12.201 -7.482 537 1HG PRO 70 1HG PRO 70 5.510 -10.600 -6.138 538 2HG PRO 70 2HG PRO 70 4.396 -10.113 -7.402 539 1HD PRO 70 1HD PRO 70 4.211 -9.475 -4.610 540 2HD PRO 70 2HD PRO 70 3.038 -9.088 -5.854 541 H LYS 71 H LYS 71 4.260 -11.355 -3.243 542 HA LYS 71 HA LYS 71 5.295 -13.965 -2.483 543 1HB LYS 71 1HB LYS 71 5.961 -11.119 -1.770 544 2HB LYS 71 2HB LYS 71 6.466 -12.426 -0.720 545 1HG LYS 71 1HG LYS 71 7.349 -13.535 -2.964 546 2HG LYS 71 2HG LYS 71 7.257 -11.904 -3.599 547 1HD LYS 71 1HD LYS 71 8.720 -11.087 -1.749 548 2HD LYS 71 2HD LYS 71 8.792 -12.706 -1.082 549 1HE LYS 71 1HE LYS 71 9.554 -13.183 -3.698 550 2HE LYS 71 2HE LYS 71 10.198 -11.572 -3.452 551 1HZ LYS 71 1HZ LYS 71 11.811 -12.474 -2.286 552 2HZ LYS 71 2HZ LYS 71 10.755 -13.066 -1.189 553 3HZ LYS 71 3HZ LYS 71 11.186 -13.971 -2.477 554 H GLY 72 H GLY 72 2.363 -12.935 -2.291 555 1HA GLY 72 1HA GLY 72 2.017 -13.130 0.625 556 2HA GLY 72 2HA GLY 72 0.847 -12.528 -0.533 557 H SER 73 H SER 73 0.018 -14.421 1.314 558 HA SER 73 HA SER 73 0.220 -16.987 0.031 559 1HB SER 73 1HB SER 73 -0.049 -16.153 2.683 560 2HB SER 73 2HB SER 73 -1.658 -16.732 2.300 561 HG SER 73 HG SER 73 -0.946 -18.770 2.162 562 H LYS 74 H LYS 74 -2.617 -15.239 1.490 563 HA LYS 74 HA LYS 74 -4.009 -15.366 -1.038 564 1HB LYS 74 1HB LYS 74 -4.353 -17.425 0.930 565 2HB LYS 74 2HB LYS 74 -5.824 -16.477 0.858 566 1HG LYS 74 1HG LYS 74 -4.558 -17.196 -1.771 567 2HG LYS 74 2HG LYS 74 -5.294 -18.507 -0.871 568 1HD LYS 74 1HD LYS 74 -7.425 -17.194 -0.715 569 2HD LYS 74 2HD LYS 74 -6.688 -15.896 -1.631 570 1HE LYS 74 1HE LYS 74 -6.430 -17.326 -3.598 571 2HE LYS 74 2HE LYS 74 -6.907 -18.749 -2.692 572 1HZ LYS 74 1HZ LYS 74 -9.060 -17.610 -2.322 573 2HZ LYS 74 2HZ LYS 74 -8.597 -16.450 -3.374 574 3HZ LYS 74 3HZ LYS 74 -8.766 -17.992 -3.883 575 H GLU 75 H GLU 75 -5.259 -15.177 2.340 576 HA GLU 75 HA GLU 75 -6.698 -12.888 1.813 577 1HB GLU 75 1HB GLU 75 -7.025 -12.774 4.261 578 2HB GLU 75 2HB GLU 75 -7.199 -14.418 3.681 579 1HG GLU 75 1HG GLU 75 -5.240 -15.144 4.700 580 2HG GLU 75 2HG GLU 75 -4.437 -13.597 4.515 581 H GLU 76 H GLU 76 -3.311 -13.313 2.257 582 HA GLU 76 HA GLU 76 -2.761 -10.882 3.543 583 1HB GLU 76 1HB GLU 76 -1.139 -12.893 1.971 584 2HB GLU 76 2HB GLU 76 -0.412 -11.363 2.416 585 1HG GLU 76 1HG GLU 76 -1.858 -12.625 4.666 586 2HG GLU 76 2HG GLU 76 -0.574 -13.640 4.041 587 H GLN 77 H GLN 77 -3.283 -11.877 0.164 588 HA GLN 77 HA GLN 77 -2.219 -9.485 -0.908 589 1HB GLN 77 1HB GLN 77 -3.866 -11.772 -2.034 590 2HB GLN 77 2HB GLN 77 -3.507 -10.360 -3.007 591 1HG GLN 77 1HG GLN 77 -1.056 -10.708 -2.590 592 2HG GLN 77 2HG GLN 77 -1.427 -12.136 -1.644 593 1HE2 GLN 77 1HE2 GLN 77 -0.308 -13.498 -2.986 594 2HE2 GLN 77 2HE2 GLN 77 -0.854 -13.964 -4.563 595 H ARG 78 H ARG 78 -5.234 -10.441 0.560 596 HA ARG 78 HA ARG 78 -6.898 -8.678 -0.820 597 1HB ARG 78 1HB ARG 78 -7.040 -10.208 1.785 598 2HB ARG 78 2HB ARG 78 -8.233 -8.956 1.506 599 1HG ARG 78 1HG ARG 78 -9.029 -11.185 0.718 600 2HG ARG 78 2HG ARG 78 -8.948 -10.024 -0.592 601 1HD ARG 78 1HD ARG 78 -6.489 -11.689 -0.091 602 2HD ARG 78 2HD ARG 78 -7.875 -12.506 -0.786 603 HE ARG 78 HE ARG 78 -7.367 -10.006 -2.161 604 1HH1 ARG 78 1HH1 ARG 78 -6.227 -13.325 -1.888 605 2HH1 ARG 78 2HH1 ARG 78 -5.561 -13.361 -3.487 606 1HH2 ARG 78 1HH2 ARG 78 -6.488 -10.054 -4.269 607 2HH2 ARG 78 2HH2 ARG 78 -5.710 -11.489 -4.850 608 H ASP 79 H ASP 79 -4.883 -8.443 2.154 609 HA ASP 79 HA ASP 79 -5.904 -5.891 2.828 610 1HB ASP 79 1HB ASP 79 -4.264 -7.895 4.030 611 2HB ASP 79 2HB ASP 79 -3.261 -6.460 3.937 612 H TYR 80 H TYR 80 -3.620 -7.169 0.560 613 HA TYR 80 HA TYR 80 -1.845 -4.903 0.569 614 1HB TYR 80 1HB TYR 80 -2.378 -7.362 -1.204 615 2HB TYR 80 2HB TYR 80 -1.092 -6.227 -1.564 616 HD1 TYR 80 1HD TYR 80 -0.950 -6.045 1.792 617 HD2 TYR 80 2HD TYR 80 -0.339 -8.972 -1.268 618 HE1 TYR 80 1HE TYR 80 0.615 -7.334 3.326 619 HE2 TYR 80 2HE TYR 80 1.223 -10.251 0.276 620 HH TYR 80 HH TYR 80 2.609 -8.965 2.903 621 H VAL 81 H VAL 81 -3.771 -6.388 -2.127 622 HA VAL 81 HA VAL 81 -3.736 -4.366 -3.864 623 HB VAL 81 HB VAL 81 -6.137 -6.056 -3.136 624 1HG1 VAL 81 1HG1 VAL 81 -5.508 -4.298 -5.495 625 2HG1 VAL 81 2HG1 VAL 81 -6.504 -5.757 -5.712 626 3HG1 VAL 81 3HG1 VAL 81 -7.028 -4.481 -4.587 627 1HG2 VAL 81 1HG2 VAL 81 -3.585 -6.626 -4.544 628 2HG2 VAL 81 2HG2 VAL 81 -4.672 -7.712 -3.644 629 3HG2 VAL 81 3HG2 VAL 81 -5.063 -7.249 -5.317 630 H PHE 82 H PHE 82 -6.132 -4.673 -1.151 631 HA PHE 82 HA PHE 82 -7.656 -2.527 -1.518 632 1HB PHE 82 1HB PHE 82 -7.692 -4.111 0.435 633 2HB PHE 82 2HB PHE 82 -6.184 -3.441 1.026 634 HD1 PHE 82 1HD PHE 82 -9.124 -1.580 -0.279 635 HD2 PHE 82 2HD PHE 82 -6.795 -2.597 3.118 636 HE1 PHE 82 1HE PHE 82 -10.404 0.085 1.095 637 HE2 PHE 82 2HE PHE 82 -8.075 -0.932 4.494 638 HZ PHE 82 HZ PHE 82 -9.864 0.389 3.465 639 H TYR 83 H TYR 83 -4.273 -2.476 -0.269 640 HA TYR 83 HA TYR 83 -4.349 0.368 0.131 641 1HB TYR 83 1HB TYR 83 -2.243 -1.876 0.102 642 2HB TYR 83 2HB TYR 83 -1.802 -0.215 0.447 643 HD1 TYR 83 1HD TYR 83 -1.026 -1.969 2.470 644 HD2 TYR 83 2HD TYR 83 -4.943 -0.384 1.801 645 HE1 TYR 83 1HE TYR 83 -1.598 -2.328 4.921 646 HE2 TYR 83 2HE TYR 83 -5.502 -0.747 4.255 647 HH TYR 83 HH TYR 83 -4.710 -1.249 6.223 648 H LEU 84 H LEU 84 -2.727 -1.927 -2.171 649 HA LEU 84 HA LEU 84 -1.265 -0.220 -3.638 650 1HB LEU 84 1HB LEU 84 -2.875 -2.641 -4.364 651 2HB LEU 84 2HB LEU 84 -2.031 -1.749 -5.614 652 HG LEU 84 HG LEU 84 0.060 -2.027 -4.079 653 1HD1 LEU 84 1HD1 LEU 84 -0.018 -4.191 -2.800 654 2HD1 LEU 84 2HD1 LEU 84 -0.950 -2.851 -2.089 655 3HD1 LEU 84 3HD1 LEU 84 -1.790 -4.149 -2.971 656 1HD2 LEU 84 1HD2 LEU 84 -0.314 -3.055 -6.320 657 2HD2 LEU 84 2HD2 LEU 84 0.664 -4.051 -5.216 658 3HD2 LEU 84 3HD2 LEU 84 -1.045 -4.458 -5.506 659 H ALA 85 H ALA 85 -4.832 -0.606 -3.708 660 HA ALA 85 HA ALA 85 -5.168 1.128 -5.936 661 1HB ALA 85 1HB ALA 85 -7.231 0.442 -3.820 662 2HB ALA 85 2HB ALA 85 -7.489 0.808 -5.543 663 3HB ALA 85 3HB ALA 85 -6.725 -0.727 -5.064 664 H VAL 86 H VAL 86 -5.423 1.457 -2.341 665 HA VAL 86 HA VAL 86 -6.320 4.060 -2.265 666 HB VAL 86 HB VAL 86 -4.704 2.300 -0.464 667 1HG1 VAL 86 1HG1 VAL 86 -3.686 4.441 -0.048 668 2HG1 VAL 86 2HG1 VAL 86 -5.275 5.241 0.020 669 3HG1 VAL 86 3HG1 VAL 86 -4.803 4.087 1.291 670 1HG2 VAL 86 1HG2 VAL 86 -7.275 3.725 0.197 671 2HG2 VAL 86 2HG2 VAL 86 -7.285 2.274 -0.833 672 3HG2 VAL 86 3HG2 VAL 86 -6.640 2.185 0.824 673 H GLY 87 H GLY 87 -2.917 2.808 -2.368 674 1HA GLY 87 1HA GLY 87 -1.722 5.377 -2.387 675 2HA GLY 87 2HA GLY 87 -0.974 3.853 -2.820 676 H ASN 88 H ASN 88 -2.739 3.045 -4.960 677 HA ASN 88 HA ASN 88 -1.533 4.377 -7.049 678 1HB ASN 88 1HB ASN 88 -3.736 2.371 -6.716 679 2HB ASN 88 2HB ASN 88 -3.762 3.254 -8.230 680 1HD2 ASN 88 1HD2 ASN 88 -2.814 0.491 -6.943 681 2HD2 ASN 88 2HD2 ASN 88 -1.383 0.120 -7.846 682 H TYR 89 H TYR 89 -4.908 4.509 -5.696 683 HA TYR 89 HA TYR 89 -6.046 6.268 -7.454 684 1HB TYR 89 1HB TYR 89 -7.386 5.247 -5.728 685 2HB TYR 89 2HB TYR 89 -6.214 5.619 -4.480 686 HD1 TYR 89 1HD TYR 89 -8.809 7.140 -6.676 687 HD2 TYR 89 2HD TYR 89 -6.412 7.582 -3.160 688 HE1 TYR 89 1HE TYR 89 -10.171 9.176 -5.995 689 HE2 TYR 89 2HE TYR 89 -7.782 9.616 -2.491 690 HH TYR 89 HH TYR 89 -10.121 10.434 -2.935 691 H ARG 90 H ARG 90 -4.051 6.994 -4.523 692 HA ARG 90 HA ARG 90 -4.424 9.670 -4.454 693 1HB ARG 90 1HB ARG 90 -2.778 7.834 -3.166 694 2HB ARG 90 2HB ARG 90 -1.601 8.829 -4.002 695 1HG ARG 90 1HG ARG 90 -3.822 10.241 -2.534 696 2HG ARG 90 2HG ARG 90 -2.567 9.490 -1.569 697 1HD ARG 90 1HD ARG 90 -0.985 11.037 -2.188 698 2HD ARG 90 2HD ARG 90 -1.503 11.044 -3.863 699 HE ARG 90 HE ARG 90 -3.457 12.320 -2.119 700 1HH1 ARG 90 1HH1 ARG 90 -0.440 12.836 -3.854 701 2HH1 ARG 90 2HH1 ARG 90 -0.650 14.551 -3.968 702 1HH2 ARG 90 1HH2 ARG 90 -3.734 14.584 -2.269 703 2HH2 ARG 90 2HH2 ARG 90 -2.536 15.553 -3.060 704 H LEU 91 H LEU 91 -2.437 7.710 -6.673 705 HA LEU 91 HA LEU 91 -1.240 10.109 -7.806 706 1HB LEU 91 1HB LEU 91 -0.772 7.272 -8.685 707 2HB LEU 91 2HB LEU 91 0.249 8.676 -8.927 708 HG LEU 91 HG LEU 91 -0.314 7.620 -6.158 709 1HD1 LEU 91 1HD1 LEU 91 0.519 5.685 -7.210 710 2HD1 LEU 91 2HD1 LEU 91 1.714 6.608 -8.154 711 3HD1 LEU 91 3HD1 LEU 91 1.919 6.423 -6.396 712 1HD2 LEU 91 1HD2 LEU 91 1.388 9.690 -7.349 713 2HD2 LEU 91 2HD2 LEU 91 0.808 9.492 -5.678 714 3HD2 LEU 91 3HD2 LEU 91 2.250 8.606 -6.231 715 H LYS 92 H LYS 92 -4.197 9.424 -7.923 716 HA LYS 92 HA LYS 92 -5.853 9.382 -9.389 717 1HB LYS 92 1HB LYS 92 -5.728 10.923 -11.180 718 2HB LYS 92 2HB LYS 92 -4.698 11.562 -9.914 719 1HG LYS 92 1HG LYS 92 -2.712 11.055 -11.072 720 2HG LYS 92 2HG LYS 92 -3.450 9.757 -11.990 721 1HD LYS 92 1HD LYS 92 -4.845 11.519 -13.206 722 2HD LYS 92 2HD LYS 92 -3.904 12.750 -12.388 723 1HE LYS 92 1HE LYS 92 -1.814 11.865 -13.400 724 2HE LYS 92 2HE LYS 92 -2.711 10.567 -14.164 725 1HZ LYS 92 1HZ LYS 92 -3.962 12.234 -15.371 726 2HZ LYS 92 2HZ LYS 92 -3.107 13.435 -14.670 727 3HZ LYS 92 3HZ LYS 92 -2.364 12.379 -15.671 728 H GLU 93 H GLU 93 -3.755 7.142 -9.355 729 HA GLU 93 HA GLU 93 -3.820 6.239 -12.068 730 1HB GLU 93 1HB GLU 93 -2.732 5.069 -9.481 731 2HB GLU 93 2HB GLU 93 -2.714 4.165 -10.982 732 1HG GLU 93 1HG GLU 93 -1.424 6.902 -10.551 733 2HG GLU 93 2HG GLU 93 -0.566 5.375 -10.609 734 H TYR 94 H TYR 94 -6.403 6.574 -11.606 735 HA TYR 94 HA TYR 94 -7.821 4.697 -10.180 736 1HB TYR 94 1HB TYR 94 -8.465 5.812 -12.975 737 2HB TYR 94 2HB TYR 94 -9.629 5.415 -11.726 738 HD1 TYR 94 1HD TYR 94 -8.281 6.721 -9.358 739 HD2 TYR 94 2HD TYR 94 -8.910 8.096 -13.360 740 HE1 TYR 94 1HE TYR 94 -8.225 9.130 -8.547 741 HE2 TYR 94 2HE TYR 94 -8.853 10.499 -12.535 742 HH TYR 94 HH TYR 94 -9.358 11.408 -9.596 743 H GLU 95 H GLU 95 -6.771 4.565 -13.656 744 HA GLU 95 HA GLU 95 -7.930 2.314 -14.440 745 1HB GLU 95 1HB GLU 95 -5.134 3.367 -14.965 746 2HB GLU 95 2HB GLU 95 -5.689 1.897 -15.741 747 1HG GLU 95 1HG GLU 95 -7.812 3.346 -16.388 748 2HG GLU 95 2HG GLU 95 -6.771 4.713 -16.039 749 H LYS 96 H LYS 96 -4.889 2.515 -12.482 750 HA LYS 96 HA LYS 96 -4.711 -0.338 -12.299 751 1HB LYS 96 1HB LYS 96 -3.181 1.922 -10.981 752 2HB LYS 96 2HB LYS 96 -2.831 0.226 -10.714 753 1HG LYS 96 1HG LYS 96 -1.430 0.475 -12.511 754 2HG LYS 96 2HG LYS 96 -2.892 0.255 -13.452 755 1HD LYS 96 1HD LYS 96 -3.225 2.704 -13.582 756 2HD LYS 96 2HD LYS 96 -1.842 2.975 -12.540 757 1HE LYS 96 1HE LYS 96 -0.306 2.071 -14.210 758 2HE LYS 96 2HE LYS 96 -1.631 1.500 -15.204 759 1HZ LYS 96 1HZ LYS 96 -0.440 3.962 -15.298 760 2HZ LYS 96 2HZ LYS 96 -1.758 3.476 -16.131 761 3HZ LYS 96 3HZ LYS 96 -1.933 4.237 -14.696 762 H ALA 97 H ALA 97 -5.410 2.367 -9.974 763 HA ALA 97 HA ALA 97 -5.888 1.031 -7.719 764 1HB ALA 97 1HB ALA 97 -7.516 2.785 -7.176 765 2HB ALA 97 2HB ALA 97 -6.143 3.477 -8.072 766 3HB ALA 97 3HB ALA 97 -7.689 3.183 -8.903 767 H LEU 98 H LEU 98 -8.495 1.602 -10.197 768 HA LEU 98 HA LEU 98 -10.360 -0.056 -9.034 769 1HB LEU 98 1HB LEU 98 -9.960 1.327 -11.546 770 2HB LEU 98 2HB LEU 98 -10.748 -0.218 -11.801 771 HG LEU 98 HG LEU 98 -12.413 1.498 -11.559 772 1HD1 LEU 98 1HD1 LEU 98 -13.371 0.621 -9.180 773 2HD1 LEU 98 2HD1 LEU 98 -13.477 -0.292 -10.706 774 3HD1 LEU 98 3HD1 LEU 98 -12.179 -0.651 -9.544 775 1HD2 LEU 98 1HD2 LEU 98 -12.118 2.240 -8.795 776 2HD2 LEU 98 2HD2 LEU 98 -10.624 2.617 -9.687 777 3HD2 LEU 98 3HD2 LEU 98 -12.184 3.270 -10.245 778 H LYS 99 H LYS 99 -8.134 -0.861 -11.798 779 HA LYS 99 HA LYS 99 -8.721 -3.447 -12.147 780 1HB LYS 99 1HB LYS 99 -6.923 -1.933 -13.236 781 2HB LYS 99 2HB LYS 99 -5.844 -2.552 -12.002 782 1HG LYS 99 1HG LYS 99 -5.646 -4.566 -13.047 783 2HG LYS 99 2HG LYS 99 -7.381 -4.730 -13.225 784 1HD LYS 99 1HD LYS 99 -6.104 -2.695 -15.006 785 2HD LYS 99 2HD LYS 99 -5.652 -4.358 -15.326 786 1HE LYS 99 1HE LYS 99 -7.674 -4.812 -16.264 787 2HE LYS 99 2HE LYS 99 -8.532 -4.184 -14.871 788 1HZ LYS 99 1HZ LYS 99 -7.713 -1.942 -15.958 789 2HZ LYS 99 2HZ LYS 99 -7.811 -2.846 -17.315 790 3HZ LYS 99 3HZ LYS 99 -9.126 -2.649 -16.367 791 H TYR 100 H TYR 100 -7.190 -1.994 -9.304 792 HA TYR 100 HA TYR 100 -6.554 -4.629 -8.236 793 1HB TYR 100 1HB TYR 100 -5.893 -1.730 -7.848 794 2HB TYR 100 2HB TYR 100 -6.078 -2.591 -6.333 795 HD1 TYR 100 1HD TYR 100 -3.566 -1.310 -7.856 796 HD2 TYR 100 2HD TYR 100 -4.992 -5.291 -7.206 797 HE1 TYR 100 1HE TYR 100 -1.195 -2.203 -8.069 798 HE2 TYR 100 2HE TYR 100 -2.616 -6.170 -7.422 799 HH TYR 100 HH TYR 100 0.026 -4.017 -8.328 800 H VAL 101 H VAL 101 -8.758 -1.832 -7.732 801 HA VAL 101 HA VAL 101 -9.839 -2.885 -5.322 802 HB VAL 101 HB VAL 101 -10.085 -0.535 -7.004 803 1HG1 VAL 101 1HG1 VAL 101 -12.465 -0.031 -6.228 804 2HG1 VAL 101 2HG1 VAL 101 -12.289 -1.189 -7.569 805 3HG1 VAL 101 3HG1 VAL 101 -12.624 -1.778 -5.923 806 1HG2 VAL 101 1HG2 VAL 101 -9.363 0.125 -4.976 807 2HG2 VAL 101 2HG2 VAL 101 -11.086 0.113 -4.531 808 3HG2 VAL 101 3HG2 VAL 101 -10.061 -1.294 -4.158 809 H ARG 102 H ARG 102 -10.232 -3.550 -8.716 810 HA ARG 102 HA ARG 102 -12.901 -4.478 -8.440 811 1HB ARG 102 1HB ARG 102 -10.833 -4.782 -10.674 812 2HB ARG 102 2HB ARG 102 -12.483 -5.359 -10.806 813 1HG ARG 102 1HG ARG 102 -11.723 -2.458 -10.225 814 2HG ARG 102 2HG ARG 102 -12.120 -3.070 -11.818 815 1HD ARG 102 1HD ARG 102 -14.167 -3.820 -9.839 816 2HD ARG 102 2HD ARG 102 -13.940 -2.083 -9.898 817 HE ARG 102 HE ARG 102 -14.060 -2.719 -12.564 818 1HH1 ARG 102 1HH1 ARG 102 -16.126 -3.551 -9.840 819 2HH1 ARG 102 2HH1 ARG 102 -17.562 -3.671 -10.802 820 1HH2 ARG 102 1HH2 ARG 102 -15.953 -2.878 -13.833 821 2HH2 ARG 102 2HH2 ARG 102 -17.463 -3.286 -13.089 822 H GLY 103 H GLY 103 -9.666 -6.013 -9.116 823 1HA GLY 103 1HA GLY 103 -10.530 -8.673 -8.962 824 2HA GLY 103 2HA GLY 103 -8.890 -8.090 -8.751 825 H LEU 104 H LEU 104 -9.743 -6.256 -6.466 826 HA LEU 104 HA LEU 104 -9.372 -8.196 -4.406 827 1HB LEU 104 1HB LEU 104 -8.266 -6.023 -4.387 828 2HB LEU 104 2HB LEU 104 -9.817 -5.209 -4.316 829 HG LEU 104 HG LEU 104 -8.489 -5.416 -2.150 830 1HD1 LEU 104 1HD1 LEU 104 -11.338 -5.723 -2.653 831 2HD1 LEU 104 2HD1 LEU 104 -10.853 -6.425 -1.091 832 3HD1 LEU 104 3HD1 LEU 104 -10.485 -4.721 -1.455 833 1HD2 LEU 104 1HD2 LEU 104 -8.738 -7.505 -0.887 834 2HD2 LEU 104 2HD2 LEU 104 -9.489 -8.273 -2.306 835 3HD2 LEU 104 3HD2 LEU 104 -7.792 -7.741 -2.376 836 H LEU 105 H LEU 105 -12.075 -6.317 -5.778 837 HA LEU 105 HA LEU 105 -13.848 -6.890 -3.634 838 1HB LEU 105 1HB LEU 105 -13.977 -5.615 -6.307 839 2HB LEU 105 2HB LEU 105 -15.477 -6.275 -5.686 840 HG LEU 105 HG LEU 105 -13.759 -4.340 -4.117 841 1HD1 LEU 105 1HD1 LEU 105 -15.244 -2.553 -4.839 842 2HD1 LEU 105 2HD1 LEU 105 -14.431 -3.298 -6.236 843 3HD1 LEU 105 3HD1 LEU 105 -16.132 -3.687 -5.885 844 1HD2 LEU 105 1HD2 LEU 105 -16.218 -3.956 -3.169 845 2HD2 LEU 105 2HD2 LEU 105 -16.409 -5.641 -3.707 846 3HD2 LEU 105 3HD2 LEU 105 -15.137 -5.220 -2.535 847 H GLN 106 H GLN 106 -12.873 -8.491 -6.663 848 HA GLN 106 HA GLN 106 -14.983 -10.193 -6.957 849 1HB GLN 106 1HB GLN 106 -12.373 -9.880 -8.040 850 2HB GLN 106 2HB GLN 106 -12.471 -11.554 -7.532 851 1HG GLN 106 1HG GLN 106 -14.975 -10.879 -8.795 852 2HG GLN 106 2HG GLN 106 -13.687 -10.307 -9.836 853 1HE2 GLN 106 1HE2 GLN 106 -12.636 -11.685 -11.081 854 2HE2 GLN 106 2HE2 GLN 106 -12.741 -13.413 -11.024 855 H THR 107 H THR 107 -12.201 -10.334 -4.709 856 HA THR 107 HA THR 107 -13.176 -12.907 -3.693 857 HB THR 107 HB THR 107 -10.837 -13.012 -4.146 858 HG1 THR 107 1HG THR 107 -10.485 -13.560 -2.031 859 1HG2 THR 107 1HG2 THR 107 -10.724 -10.207 -2.930 860 2HG2 THR 107 2HG2 THR 107 -9.275 -11.206 -3.199 861 3HG2 THR 107 3HG2 THR 107 -10.265 -10.683 -4.583 862 H GLU 108 H GLU 108 -13.078 -9.472 -3.014 863 HA GLU 108 HA GLU 108 -14.248 -10.111 -0.421 864 1HB GLU 108 1HB GLU 108 -12.540 -7.653 -0.987 865 2HB GLU 108 2HB GLU 108 -13.167 -8.166 0.568 866 1HG GLU 108 1HG GLU 108 -11.411 -10.071 -0.996 867 2HG GLU 108 2HG GLU 108 -10.659 -8.736 -0.146 868 HA PRO 109 HA PRO 109 -17.133 -7.640 -2.892 869 1HB PRO 109 1HB PRO 109 -19.327 -9.242 -2.587 870 2HB PRO 109 2HB PRO 109 -18.240 -9.357 -3.956 871 1HG PRO 109 1HG PRO 109 -18.478 -11.157 -1.624 872 2HG PRO 109 2HG PRO 109 -17.726 -11.465 -3.175 873 1HD PRO 109 1HD PRO 109 -16.388 -10.879 -0.707 874 2HD PRO 109 2HD PRO 109 -15.644 -11.073 -2.282 875 H GLN 110 H GLN 110 -17.678 -9.242 0.179 876 HA GLN 110 HA GLN 110 -19.657 -7.471 1.000 877 1HB GLN 110 1HB GLN 110 -19.205 -8.379 3.268 878 2HB GLN 110 2HB GLN 110 -19.313 -9.652 2.069 879 1HG GLN 110 1HG GLN 110 -16.758 -9.564 1.883 880 2HG GLN 110 2HG GLN 110 -16.760 -8.474 3.255 881 1HE2 GLN 110 1HE2 GLN 110 -15.388 -10.318 4.019 882 2HE2 GLN 110 2HE2 GLN 110 -16.157 -11.601 4.891 883 H ASN 111 H ASN 111 -16.114 -7.300 0.956 884 HA ASN 111 HA ASN 111 -15.609 -5.495 2.888 885 1HB ASN 111 1HB ASN 111 -13.848 -6.503 1.468 886 2HB ASN 111 2HB ASN 111 -14.442 -5.646 0.060 887 1HD2 ASN 111 1HD2 ASN 111 -11.847 -5.651 1.532 888 2HD2 ASN 111 2HD2 ASN 111 -11.480 -3.992 1.871 889 H ASN 112 H ASN 112 -16.681 -3.547 3.271 890 HA ASN 112 HA ASN 112 -18.125 -2.268 1.244 891 1HB ASN 112 1HB ASN 112 -17.215 -1.035 3.890 892 2HB ASN 112 2HB ASN 112 -18.632 -0.594 2.957 893 1HD2 ASN 112 1HD2 ASN 112 -18.726 -1.273 5.638 894 2HD2 ASN 112 2HD2 ASN 112 -19.605 -2.749 5.854 895 H GLN 113 H GLN 113 -15.120 -1.433 3.133 896 HA GLN 113 HA GLN 113 -14.486 0.937 2.149 897 1HB GLN 113 1HB GLN 113 -12.629 -1.435 2.603 898 2HB GLN 113 2HB GLN 113 -12.046 0.195 2.338 899 1HG GLN 113 1HG GLN 113 -12.865 0.983 4.388 900 2HG GLN 113 2HG GLN 113 -14.154 -0.203 4.455 901 1HE2 GLN 113 1HE2 GLN 113 -12.216 0.514 6.474 902 2HE2 GLN 113 2HE2 GLN 113 -11.333 -0.914 6.897 903 H ALA 114 H ALA 114 -13.822 -2.219 0.494 904 HA ALA 114 HA ALA 114 -12.527 -1.144 -1.723 905 1HB ALA 114 1HB ALA 114 -14.290 -3.616 -1.708 906 2HB ALA 114 2HB ALA 114 -12.830 -3.309 -2.679 907 3HB ALA 114 3HB ALA 114 -12.693 -3.572 -0.923 908 H LYS 115 H LYS 115 -16.019 -1.820 -1.068 909 HA LYS 115 HA LYS 115 -16.979 -1.203 -3.582 910 1HB LYS 115 1HB LYS 115 -18.059 -1.437 -0.845 911 2HB LYS 115 2HB LYS 115 -18.990 -0.397 -1.903 912 1HG LYS 115 1HG LYS 115 -18.897 -2.277 -3.656 913 2HG LYS 115 2HG LYS 115 -18.214 -3.302 -2.409 914 1HD LYS 115 1HD LYS 115 -20.201 -3.381 -1.175 915 2HD LYS 115 2HD LYS 115 -20.741 -1.810 -1.733 916 1HE LYS 115 1HE LYS 115 -20.975 -2.912 -4.083 917 2HE LYS 115 2HE LYS 115 -20.803 -4.446 -3.256 918 1HZ LYS 115 1HZ LYS 115 -22.660 -2.839 -1.910 919 2HZ LYS 115 2HZ LYS 115 -23.076 -2.942 -3.486 920 3HZ LYS 115 3HZ LYS 115 -22.885 -4.301 -2.601 921 H GLU 116 H GLU 116 -16.836 0.990 -0.681 922 HA GLU 116 HA GLU 116 -17.651 3.246 -1.878 923 1HB GLU 116 1HB GLU 116 -15.871 2.598 0.419 924 2HB GLU 116 2HB GLU 116 -15.692 4.226 -0.205 925 1HG GLU 116 1HG GLU 116 -18.362 2.960 0.575 926 2HG GLU 116 2HG GLU 116 -17.437 4.033 1.607 927 H LEU 117 H LEU 117 -14.140 2.349 -1.481 928 HA LEU 117 HA LEU 117 -12.958 4.290 -2.868 929 1HB LEU 117 1HB LEU 117 -12.302 1.720 -1.997 930 2HB LEU 117 2HB LEU 117 -11.890 1.724 -3.700 931 HG LEU 117 HG LEU 117 -10.717 3.301 -1.448 932 1HD1 LEU 117 1HD1 LEU 117 -9.834 1.399 -3.513 933 2HD1 LEU 117 2HD1 LEU 117 -8.735 2.777 -3.253 934 3HD1 LEU 117 3HD1 LEU 117 -9.184 1.726 -1.888 935 1HD2 LEU 117 1HD2 LEU 117 -11.315 4.408 -4.113 936 2HD2 LEU 117 2HD2 LEU 117 -10.936 5.227 -2.580 937 3HD2 LEU 117 3HD2 LEU 117 -9.622 4.580 -3.591 938 H GLU 118 H GLU 118 -14.230 1.266 -4.441 939 HA GLU 118 HA GLU 118 -13.726 1.781 -6.975 940 1HB GLU 118 1HB GLU 118 -15.092 -0.137 -5.912 941 2HB GLU 118 2HB GLU 118 -16.502 0.882 -6.120 942 1HG GLU 118 1HG GLU 118 -15.280 1.034 -8.626 943 2HG GLU 118 2HG GLU 118 -14.950 -0.619 -8.148 944 H ARG 119 H ARG 119 -16.489 3.201 -5.114 945 HA ARG 119 HA ARG 119 -17.433 4.642 -7.322 946 1HB ARG 119 1HB ARG 119 -17.898 4.860 -4.315 947 2HB ARG 119 2HB ARG 119 -18.686 5.946 -5.442 948 1HG ARG 119 1HG ARG 119 -20.290 4.251 -5.276 949 2HG ARG 119 2HG ARG 119 -19.402 3.723 -6.691 950 1HD ARG 119 1HD ARG 119 -18.365 1.955 -5.563 951 2HD ARG 119 2HD ARG 119 -18.397 2.774 -4.015 952 HE ARG 119 HE ARG 119 -20.451 1.764 -3.589 953 1HH1 ARG 119 1HH1 ARG 119 -19.976 1.898 -7.073 954 2HH1 ARG 119 2HH1 ARG 119 -21.428 1.025 -7.433 955 1HH2 ARG 119 1HH2 ARG 119 -22.367 0.613 -4.063 956 2HH2 ARG 119 2HH2 ARG 119 -22.798 0.290 -5.709 957 H LEU 120 H LEU 120 -15.369 5.426 -4.454 958 HA LEU 120 HA LEU 120 -15.152 8.130 -4.754 959 1HB LEU 120 1HB LEU 120 -13.057 6.133 -3.890 960 2HB LEU 120 2HB LEU 120 -12.938 7.866 -3.660 961 HG LEU 120 HG LEU 120 -15.207 6.218 -2.523 962 1HD1 LEU 120 1HD1 LEU 120 -12.417 6.480 -1.604 963 2HD1 LEU 120 2HD1 LEU 120 -13.654 6.806 -0.366 964 3HD1 LEU 120 3HD1 LEU 120 -13.649 5.250 -1.230 965 1HD2 LEU 120 1HD2 LEU 120 -14.165 8.977 -1.823 966 2HD2 LEU 120 2HD2 LEU 120 -15.650 8.613 -2.733 967 3HD2 LEU 120 3HD2 LEU 120 -15.511 8.128 -1.027 968 H ILE 121 H ILE 121 -12.869 5.664 -6.149 969 HA ILE 121 HA ILE 121 -11.456 7.473 -7.693 970 HB ILE 121 HB ILE 121 -11.984 4.534 -8.140 971 1HG1 ILE 121 1HG1 ILE 121 -9.375 5.263 -7.089 972 2HG1 ILE 121 2HG1 ILE 121 -10.654 5.831 -6.034 973 1HG2 ILE 121 1HG2 ILE 121 -10.485 6.495 -9.692 974 2HG2 ILE 121 2HG2 ILE 121 -9.472 5.139 -9.141 975 3HG2 ILE 121 3HG2 ILE 121 -10.945 4.822 -10.088 976 1HD1 ILE 121 1HD1 ILE 121 -9.941 3.508 -5.470 977 2HD1 ILE 121 2HD1 ILE 121 -11.652 3.571 -5.959 978 3HD1 ILE 121 3HD1 ILE 121 -10.421 2.979 -7.100 979 H ASP 122 H ASP 122 -14.544 5.762 -8.288 980 HA ASP 122 HA ASP 122 -14.747 6.176 -10.967 981 1HB ASP 122 1HB ASP 122 -16.339 5.039 -9.154 982 2HB ASP 122 2HB ASP 122 -17.142 6.596 -9.162 983 H LYS 123 H LYS 123 -15.727 8.296 -8.183 984 HA LYS 123 HA LYS 123 -16.726 10.370 -9.824 985 1HB LYS 123 1HB LYS 123 -16.036 10.089 -6.906 986 2HB LYS 123 2HB LYS 123 -16.441 11.659 -7.572 987 1HG LYS 123 1HG LYS 123 -18.446 10.065 -8.647 988 2HG LYS 123 2HG LYS 123 -18.188 9.302 -7.091 989 1HD LYS 123 1HD LYS 123 -18.389 11.606 -6.012 990 2HD LYS 123 2HD LYS 123 -18.830 12.247 -7.582 991 1HE LYS 123 1HE LYS 123 -20.888 11.082 -7.637 992 2HE LYS 123 2HE LYS 123 -20.347 9.859 -6.505 993 1HZ LYS 123 1HZ LYS 123 -21.861 11.877 -5.808 994 2HZ LYS 123 2HZ LYS 123 -20.822 11.168 -4.766 995 3HZ LYS 123 3HZ LYS 123 -20.409 12.563 -5.510 996 H ALA 124 H ALA 124 -13.566 9.688 -8.232 997 HA ALA 124 HA ALA 124 -12.281 12.038 -8.580 998 1HB ALA 124 1HB ALA 124 -10.456 10.802 -8.046 999 2HB ALA 124 2HB ALA 124 -11.610 9.456 -7.894 1000 3HB ALA 124 3HB ALA 124 -10.699 9.682 -9.407 1001 H MET 125 H MET 125 -12.379 9.356 -11.041 1002 HA MET 125 HA MET 125 -11.064 10.559 -13.027 1003 1HB MET 125 1HB MET 125 -13.680 8.972 -13.301 1004 2HB MET 125 2HB MET 125 -12.471 9.146 -14.559 1005 1HG MET 125 1HG MET 125 -11.104 8.213 -12.205 1006 2HG MET 125 2HG MET 125 -12.544 7.231 -12.384 1007 1HE MET 125 1HE MET 125 -10.165 4.870 -13.644 1008 2HE MET 125 2HE MET 125 -11.480 5.365 -12.553 1009 3HE MET 125 3HE MET 125 -11.859 4.736 -14.174 1010 H LYS 126 H LYS 126 -14.655 10.823 -12.492 1011 HA LYS 126 HA LYS 126 -15.145 12.582 -14.566 1012 1HB LYS 126 1HB LYS 126 -16.585 11.363 -12.470 1013 2HB LYS 126 2HB LYS 126 -16.864 13.083 -12.290 1014 1HG LYS 126 1HG LYS 126 -17.021 12.598 -15.087 1015 2HG LYS 126 2HG LYS 126 -17.871 11.259 -14.344 1016 1HD LYS 126 1HD LYS 126 -18.527 13.845 -13.074 1017 2HD LYS 126 2HD LYS 126 -18.907 13.827 -14.786 1018 1HE LYS 126 1HE LYS 126 -20.296 11.827 -14.529 1019 2HE LYS 126 2HE LYS 126 -19.774 11.612 -12.870 1020 1HZ LYS 126 1HZ LYS 126 -21.078 14.093 -13.689 1021 2HZ LYS 126 2HZ LYS 126 -21.968 12.777 -13.315 1022 3HZ LYS 126 3HZ LYS 126 -20.977 13.437 -12.197 1023 H LYS 127 H LYS 127 -14.284 13.234 -11.111 1024 HA LYS 127 HA LYS 127 -14.474 15.975 -11.197 1025 1HB LYS 127 1HB LYS 127 -12.726 14.096 -9.604 1026 2HB LYS 127 2HB LYS 127 -12.674 15.831 -9.364 1027 1HG LYS 127 1HG LYS 127 -14.749 15.897 -8.367 1028 2HG LYS 127 2HG LYS 127 -15.425 14.692 -9.443 1029 1HD LYS 127 1HD LYS 127 -14.822 12.921 -8.081 1030 2HD LYS 127 2HD LYS 127 -13.334 13.686 -7.557 1031 1HE LYS 127 1HE LYS 127 -14.839 13.592 -5.645 1032 2HE LYS 127 2HE LYS 127 -14.691 15.271 -6.128 1033 1HZ LYS 127 1HZ LYS 127 -16.826 15.335 -6.644 1034 2HZ LYS 127 2HZ LYS 127 -16.793 13.937 -7.488 1035 3HZ LYS 127 3HZ LYS 127 -16.998 13.909 -5.868 1036 H SER 128 H SER 128 -11.482 13.974 -11.727 1037 HA SER 128 HA SER 128 -10.720 15.783 -13.798 1038 1HB SER 128 1HB SER 128 -9.832 16.375 -11.208 1039 2HB SER 128 2HB SER 128 -8.481 15.502 -11.900 1040 HG SER 128 HG SER 128 -8.692 17.005 -13.793 1041 H GLY 129 H GLY 129 -9.840 14.511 -15.392 1042 1HA GLY 129 1HA GLY 129 -8.299 12.136 -14.573 1043 2HA GLY 129 2HA GLY 129 -9.630 11.976 -15.701 1044 HA PRO 130 HA PRO 130 -5.748 13.269 -17.890 1045 1HB PRO 130 1HB PRO 130 -4.840 10.880 -18.856 1046 2HB PRO 130 2HB PRO 130 -4.203 11.632 -17.406 1047 1HG PRO 130 1HG PRO 130 -6.024 9.315 -17.647 1048 2HG PRO 130 2HG PRO 130 -5.054 9.810 -16.275 1049 1HD PRO 130 1HD PRO 130 -7.881 10.173 -16.599 1050 2HD PRO 130 2HD PRO 130 -6.892 10.770 -15.281 1051 H SER 131 H SER 131 -7.957 10.698 -18.825 1052 HA SER 131 HA SER 131 -9.292 10.549 -20.540 1053 1HB SER 131 1HB SER 131 -9.033 13.323 -20.308 1054 2HB SER 131 2HB SER 131 -8.628 13.036 -21.988 1055 HG SER 131 HG SER 131 -10.826 13.212 -22.049 1056 H SER 132 H SER 132 -9.217 10.098 -22.942 1057 HA SER 132 HA SER 132 -6.454 9.609 -23.687 1058 1HB SER 132 1HB SER 132 -7.730 7.586 -23.690 1059 2HB SER 132 2HB SER 132 -9.093 8.343 -24.490 1060 HG SER 132 HG SER 132 -8.120 7.281 -26.152 1061 H GLY 133 H GLY 133 -5.696 11.408 -24.799 1062 1HA GLY 133 1HA GLY 133 -5.476 12.409 -26.912 1063 2HA GLY 133 2HA GLY 133 -7.182 12.157 -27.222 Start of MODEL 2 1 H GLY 1 H GLY 1 -22.602 -9.336 12.012 2 1HA GLY 1 1HA GLY 1 -22.148 -9.441 9.182 3 2HA GLY 1 2HA GLY 1 -22.418 -8.022 10.175 4 H SER 2 H SER 2 -20.725 -6.743 9.349 5 HA SER 2 HA SER 2 -18.121 -7.599 10.262 6 1HB SER 2 1HB SER 2 -18.859 -7.717 7.526 7 2HB SER 2 2HB SER 2 -17.877 -6.273 7.670 8 HG SER 2 HG SER 2 -16.518 -8.072 7.256 9 H SER 3 H SER 3 -17.868 -5.974 11.791 10 HA SER 3 HA SER 3 -18.151 -3.264 10.753 11 1HB SER 3 1HB SER 3 -19.935 -4.075 12.472 12 2HB SER 3 2HB SER 3 -18.649 -3.998 13.658 13 HG SER 3 HG SER 3 -19.155 -1.738 11.960 14 H GLY 4 H GLY 4 -16.392 -1.896 11.147 15 1HA GLY 4 1HA GLY 4 -14.394 -2.728 13.121 16 2HA GLY 4 2HA GLY 4 -13.894 -2.615 11.445 17 H SER 5 H SER 5 -12.617 -0.976 13.246 18 HA SER 5 HA SER 5 -13.934 1.491 13.546 19 1HB SER 5 1HB SER 5 -11.833 2.282 14.447 20 2HB SER 5 2HB SER 5 -12.064 0.638 15.008 21 HG SER 5 HG SER 5 -9.983 0.603 14.282 22 H SER 6 H SER 6 -13.615 3.472 12.375 23 HA SER 6 HA SER 6 -13.213 4.746 10.663 24 1HB SER 6 1HB SER 6 -10.814 3.165 10.851 25 2HB SER 6 2HB SER 6 -11.179 3.373 9.149 26 HG SER 6 HG SER 6 -9.864 5.117 9.998 27 H GLY 7 H GLY 7 -13.491 4.882 8.218 28 1HA GLY 7 1HA GLY 7 -14.831 2.448 7.197 29 2HA GLY 7 2HA GLY 7 -15.437 4.073 6.947 30 H MET 8 H MET 8 -14.816 5.168 5.119 31 HA MET 8 HA MET 8 -12.426 4.148 3.790 32 1HB MET 8 1HB MET 8 -14.424 3.415 2.549 33 2HB MET 8 2HB MET 8 -15.124 5.020 2.628 34 1HG MET 8 1HG MET 8 -14.211 5.279 0.539 35 2HG MET 8 2HG MET 8 -12.725 5.601 1.412 36 1HE MET 8 1HE MET 8 -10.930 3.442 2.044 37 2HE MET 8 2HE MET 8 -10.406 2.969 0.409 38 3HE MET 8 3HE MET 8 -10.759 4.676 0.771 39 H GLU 9 H GLU 9 -14.777 6.932 3.777 40 HA GLU 9 HA GLU 9 -13.002 8.724 2.668 41 1HB GLU 9 1HB GLU 9 -15.662 8.749 3.458 42 2HB GLU 9 2HB GLU 9 -14.945 9.878 4.589 43 1HG GLU 9 1HG GLU 9 -13.926 11.144 2.691 44 2HG GLU 9 2HG GLU 9 -14.621 10.008 1.553 45 H ALA 10 H ALA 10 -12.986 7.244 5.772 46 HA ALA 10 HA ALA 10 -11.541 9.465 6.992 47 1HB ALA 10 1HB ALA 10 -12.142 6.838 8.341 48 2HB ALA 10 2HB ALA 10 -12.050 8.473 9.038 49 3HB ALA 10 3HB ALA 10 -13.460 8.000 8.059 50 H VAL 11 H VAL 11 -11.183 6.043 5.926 51 HA VAL 11 HA VAL 11 -8.598 5.669 6.894 52 HB VAL 11 HB VAL 11 -10.326 4.445 4.785 53 1HG1 VAL 11 1HG1 VAL 11 -8.240 4.327 3.652 54 2HG1 VAL 11 2HG1 VAL 11 -7.365 3.918 5.147 55 3HG1 VAL 11 3HG1 VAL 11 -8.478 2.737 4.416 56 1HG2 VAL 11 1HG2 VAL 11 -10.166 4.023 7.436 57 2HG2 VAL 11 2HG2 VAL 11 -10.590 2.742 6.274 58 3HG2 VAL 11 3HG2 VAL 11 -8.924 2.871 6.889 59 H LEU 12 H LEU 12 -9.867 7.135 3.870 60 HA LEU 12 HA LEU 12 -7.262 7.404 2.735 61 1HB LEU 12 1HB LEU 12 -10.050 8.144 2.017 62 2HB LEU 12 2HB LEU 12 -8.760 9.070 1.277 63 HG LEU 12 HG LEU 12 -9.029 6.053 1.143 64 1HD1 LEU 12 1HD1 LEU 12 -9.345 6.902 -1.408 65 2HD1 LEU 12 2HD1 LEU 12 -10.688 6.563 -0.291 66 3HD1 LEU 12 3HD1 LEU 12 -10.125 8.236 -0.525 67 1HD2 LEU 12 1HD2 LEU 12 -7.065 7.966 -0.137 68 2HD2 LEU 12 2HD2 LEU 12 -6.722 6.625 0.982 69 3HD2 LEU 12 3HD2 LEU 12 -7.302 6.283 -0.666 70 H ASN 13 H ASN 13 -9.537 9.448 4.617 71 HA ASN 13 HA ASN 13 -8.187 11.823 4.274 72 1HB ASN 13 1HB ASN 13 -10.237 10.712 6.098 73 2HB ASN 13 2HB ASN 13 -9.237 11.913 6.891 74 1HD2 ASN 13 1HD2 ASN 13 -10.796 11.365 3.732 75 2HD2 ASN 13 2HD2 ASN 13 -11.439 12.960 3.525 76 H GLU 14 H GLU 14 -8.199 9.585 7.164 77 HA GLU 14 HA GLU 14 -6.310 10.717 8.648 78 1HB GLU 14 1HB GLU 14 -7.618 8.266 8.617 79 2HB GLU 14 2HB GLU 14 -5.940 7.782 8.464 80 1HG GLU 14 1HG GLU 14 -5.669 9.653 10.431 81 2HG GLU 14 2HG GLU 14 -7.322 9.161 10.744 82 H LEU 15 H LEU 15 -4.199 11.310 8.397 83 HA LEU 15 HA LEU 15 -2.742 10.060 6.186 84 1HB LEU 15 1HB LEU 15 -2.258 12.674 7.621 85 2HB LEU 15 2HB LEU 15 -1.312 12.048 6.286 86 HG LEU 15 HG LEU 15 -4.251 12.776 6.142 87 1HD1 LEU 15 1HD1 LEU 15 -2.176 14.542 6.351 88 2HD1 LEU 15 2HD1 LEU 15 -2.316 14.354 4.586 89 3HD1 LEU 15 3HD1 LEU 15 -3.727 14.869 5.541 90 1HD2 LEU 15 1HD2 LEU 15 -3.754 11.044 4.553 91 2HD2 LEU 15 2HD2 LEU 15 -3.906 12.589 3.684 92 3HD2 LEU 15 3HD2 LEU 15 -2.295 11.902 4.001 93 H VAL 16 H VAL 16 -0.429 9.553 6.527 94 HA VAL 16 HA VAL 16 -0.112 8.223 9.043 95 HB VAL 16 HB VAL 16 0.650 7.683 6.524 96 1HG1 VAL 16 1HG1 VAL 16 2.307 9.655 6.729 97 2HG1 VAL 16 2HG1 VAL 16 3.261 8.561 7.760 98 3HG1 VAL 16 3HG1 VAL 16 2.909 8.114 6.073 99 1HG2 VAL 16 1HG2 VAL 16 1.629 6.781 9.202 100 2HG2 VAL 16 2HG2 VAL 16 0.742 5.887 7.944 101 3HG2 VAL 16 3HG2 VAL 16 2.486 6.196 7.755 102 H SER 17 H SER 17 1.565 8.614 10.603 103 HA SER 17 HA SER 17 2.329 11.413 10.606 104 1HB SER 17 1HB SER 17 2.606 9.500 12.945 105 2HB SER 17 2HB SER 17 2.496 11.249 12.984 106 HG SER 17 HG SER 17 0.263 10.988 12.115 107 H VAL 18 H VAL 18 4.463 12.009 10.328 108 HA VAL 18 HA VAL 18 6.362 10.369 9.349 109 HB VAL 18 HB VAL 18 6.301 12.898 9.573 110 1HG1 VAL 18 1HG1 VAL 18 7.474 13.898 11.467 111 2HG1 VAL 18 2HG1 VAL 18 6.052 12.985 12.028 112 3HG1 VAL 18 3HG1 VAL 18 7.683 12.294 12.211 113 1HG2 VAL 18 1HG2 VAL 18 8.582 11.067 9.511 114 2HG2 VAL 18 2HG2 VAL 18 8.232 12.495 8.508 115 3HG2 VAL 18 3HG2 VAL 18 9.022 12.691 10.091 116 H GLU 19 H GLU 19 5.908 11.233 12.845 117 HA GLU 19 HA GLU 19 7.946 10.000 13.971 118 1HB GLU 19 1HB GLU 19 5.601 11.024 14.891 119 2HB GLU 19 2HB GLU 19 5.299 9.326 15.203 120 1HG GLU 19 1HG GLU 19 7.969 10.479 16.024 121 2HG GLU 19 2HG GLU 19 6.564 10.865 16.997 122 H ASP 20 H ASP 20 4.977 8.353 12.730 123 HA ASP 20 HA ASP 20 5.894 5.813 13.557 124 1HB ASP 20 1HB ASP 20 3.560 6.977 12.173 125 2HB ASP 20 2HB ASP 20 4.010 5.421 11.505 126 H LEU 21 H LEU 21 5.735 7.719 10.482 127 HA LEU 21 HA LEU 21 6.533 5.800 8.697 128 1HB LEU 21 1HB LEU 21 5.754 8.207 8.347 129 2HB LEU 21 2HB LEU 21 7.426 8.674 8.594 130 HG LEU 21 HG LEU 21 6.816 8.513 6.214 131 1HD1 LEU 21 1HD1 LEU 21 8.815 7.577 5.504 132 2HD1 LEU 21 2HD1 LEU 21 9.150 7.978 7.206 133 3HD1 LEU 21 3HD1 LEU 21 8.780 6.299 6.743 134 1HD2 LEU 21 1HD2 LEU 21 5.476 6.180 6.984 135 2HD2 LEU 21 2HD2 LEU 21 5.671 6.825 5.336 136 3HD2 LEU 21 3HD2 LEU 21 6.827 5.628 5.966 137 H LYS 22 H LYS 22 8.449 7.657 11.076 138 HA LYS 22 HA LYS 22 10.941 6.749 10.004 139 1HB LYS 22 1HB LYS 22 10.149 8.234 12.518 140 2HB LYS 22 2HB LYS 22 11.802 7.760 12.183 141 1HG LYS 22 1HG LYS 22 10.710 8.987 9.799 142 2HG LYS 22 2HG LYS 22 10.366 10.034 11.161 143 1HD LYS 22 1HD LYS 22 12.753 10.036 11.814 144 2HD LYS 22 2HD LYS 22 13.130 8.888 10.545 145 1HE LYS 22 1HE LYS 22 11.759 11.001 9.232 146 2HE LYS 22 2HE LYS 22 12.828 11.796 10.371 147 1HZ LYS 22 1HZ LYS 22 13.487 10.493 7.993 148 2HZ LYS 22 2HZ LYS 22 14.456 11.363 8.978 149 3HZ LYS 22 3HZ LYS 22 14.272 9.759 9.222 150 H ASN 23 H ASN 23 9.028 6.043 13.012 151 HA ASN 23 HA ASN 23 10.638 4.140 14.032 152 1HB ASN 23 1HB ASN 23 7.673 4.658 14.086 153 2HB ASN 23 2HB ASN 23 8.190 3.089 14.667 154 1HD2 ASN 23 1HD2 ASN 23 6.992 4.675 16.412 155 2HD2 ASN 23 2HD2 ASN 23 8.088 5.342 17.575 156 H PHE 24 H PHE 24 8.283 3.961 11.334 157 HA PHE 24 HA PHE 24 8.498 1.098 11.136 158 1HB PHE 24 1HB PHE 24 7.116 3.426 9.739 159 2HB PHE 24 2HB PHE 24 7.215 1.903 8.877 160 HD1 PHE 24 1HD PHE 24 6.501 2.802 12.439 161 HD2 PHE 24 2HD PHE 24 5.201 0.798 8.930 162 HE1 PHE 24 1HE PHE 24 4.471 1.977 13.662 163 HE2 PHE 24 2HE PHE 24 3.171 -0.027 10.154 164 HZ PHE 24 HZ PHE 24 2.830 0.572 12.505 165 H GLU 25 H GLU 25 9.827 4.028 9.564 166 HA GLU 25 HA GLU 25 10.887 2.644 7.367 167 1HB GLU 25 1HB GLU 25 10.631 4.944 7.002 168 2HB GLU 25 2HB GLU 25 11.249 5.378 8.583 169 1HG GLU 25 1HG GLU 25 13.542 4.720 7.899 170 2HG GLU 25 2HG GLU 25 12.948 4.191 6.338 171 H ARG 26 H ARG 26 12.222 3.721 10.550 172 HA ARG 26 HA ARG 26 14.820 2.986 10.055 173 1HB ARG 26 1HB ARG 26 14.799 4.127 12.046 174 2HB ARG 26 2HB ARG 26 13.150 3.653 12.400 175 1HG ARG 26 1HG ARG 26 13.841 1.543 13.339 176 2HG ARG 26 2HG ARG 26 15.453 1.681 12.667 177 1HD ARG 26 1HD ARG 26 14.481 3.813 14.588 178 2HD ARG 26 2HD ARG 26 15.003 2.268 15.229 179 HE ARG 26 HE ARG 26 16.882 3.478 13.313 180 1HH1 ARG 26 1HH1 ARG 26 15.955 3.169 16.693 181 2HH1 ARG 26 2HH1 ARG 26 17.515 3.621 17.295 182 1HH2 ARG 26 1HH2 ARG 26 18.941 4.075 14.106 183 2HH2 ARG 26 2HH2 ARG 26 19.225 4.140 15.813 184 H LYS 27 H LYS 27 11.990 1.122 11.270 185 HA LYS 27 HA LYS 27 13.380 -1.165 12.053 186 1HB LYS 27 1HB LYS 27 10.787 -0.281 12.169 187 2HB LYS 27 2HB LYS 27 10.662 -1.552 10.969 188 1HG LYS 27 1HG LYS 27 11.387 -3.231 12.463 189 2HG LYS 27 2HG LYS 27 12.232 -2.095 13.496 190 1HD LYS 27 1HD LYS 27 9.197 -2.070 13.200 191 2HD LYS 27 2HD LYS 27 10.009 -3.056 14.400 192 1HE LYS 27 1HE LYS 27 11.212 -0.555 14.753 193 2HE LYS 27 2HE LYS 27 9.558 -0.130 14.365 194 1HZ LYS 27 1HZ LYS 27 8.792 -1.487 16.124 195 2HZ LYS 27 2HZ LYS 27 10.272 -2.119 16.403 196 3HZ LYS 27 3HZ LYS 27 9.979 -0.546 16.736 197 H PHE 28 H PHE 28 11.746 -0.325 8.924 198 HA PHE 28 HA PHE 28 12.256 -2.649 7.587 199 1HB PHE 28 1HB PHE 28 10.944 -0.544 6.889 200 2HB PHE 28 2HB PHE 28 12.475 0.249 6.573 201 HD1 PHE 28 1HD PHE 28 13.672 -0.149 4.555 202 HD2 PHE 28 2HD PHE 28 10.251 -2.484 5.478 203 HE1 PHE 28 1HE PHE 28 13.656 -1.050 2.212 204 HE2 PHE 28 2HE PHE 28 10.234 -3.385 3.135 205 HZ PHE 28 HZ PHE 28 11.937 -2.657 1.531 206 H GLN 29 H GLN 29 14.290 0.367 7.392 207 HA GLN 29 HA GLN 29 16.292 -0.687 5.917 208 1HB GLN 29 1HB GLN 29 16.353 1.419 8.112 209 2HB GLN 29 2HB GLN 29 17.756 1.065 7.123 210 1HG GLN 29 1HG GLN 29 16.466 1.596 5.063 211 2HG GLN 29 2HG GLN 29 15.027 1.889 6.021 212 1HE2 GLN 29 1HE2 GLN 29 15.103 3.581 7.647 213 2HE2 GLN 29 2HE2 GLN 29 16.054 5.002 7.376 214 H SER 30 H SER 30 16.068 -0.597 9.544 215 HA SER 30 HA SER 30 18.443 -1.802 10.077 216 1HB SER 30 1HB SER 30 17.047 -0.829 11.825 217 2HB SER 30 2HB SER 30 15.774 -1.997 11.533 218 HG SER 30 HG SER 30 17.961 -3.459 12.010 219 H GLU 31 H GLU 31 15.201 -3.473 10.034 220 HA GLU 31 HA GLU 31 16.060 -6.000 10.259 221 1HB GLU 31 1HB GLU 31 13.770 -4.883 8.592 222 2HB GLU 31 2HB GLU 31 13.989 -6.602 8.856 223 1HG GLU 31 1HG GLU 31 14.149 -5.014 11.353 224 2HG GLU 31 2HG GLU 31 12.603 -4.864 10.544 225 H GLN 32 H GLN 32 16.335 -3.867 7.439 226 HA GLN 32 HA GLN 32 16.768 -5.858 5.543 227 1HB GLN 32 1HB GLN 32 16.369 -3.205 5.392 228 2HB GLN 32 2HB GLN 32 18.119 -3.179 5.294 229 1HG GLN 32 1HG GLN 32 18.088 -4.694 3.352 230 2HG GLN 32 2HG GLN 32 16.356 -4.915 3.502 231 1HE2 GLN 32 1HE2 GLN 32 18.931 -2.664 2.744 232 2HE2 GLN 32 2HE2 GLN 32 17.997 -1.515 1.847 233 H ALA 33 H ALA 33 19.160 -3.667 7.206 234 HA ALA 33 HA ALA 33 21.379 -5.158 6.292 235 1HB ALA 33 1HB ALA 33 22.141 -3.711 8.575 236 2HB ALA 33 2HB ALA 33 22.237 -3.162 6.884 237 3HB ALA 33 3HB ALA 33 20.807 -2.769 7.868 238 H ALA 34 H ALA 34 18.959 -5.835 8.596 239 HA ALA 34 HA ALA 34 20.614 -7.150 10.515 240 1HB ALA 34 1HB ALA 34 18.050 -6.163 10.463 241 2HB ALA 34 2HB ALA 34 17.760 -7.912 10.304 242 3HB ALA 34 3HB ALA 34 18.678 -7.285 11.694 243 H GLY 35 H GLY 35 19.105 -7.937 7.417 244 1HA GLY 35 1HA GLY 35 20.534 -10.068 6.716 245 2HA GLY 35 2HA GLY 35 19.394 -10.804 7.824 246 H SER 36 H SER 36 17.084 -9.156 7.319 247 HA SER 36 HA SER 36 16.539 -8.828 4.644 248 1HB SER 36 1HB SER 36 15.204 -10.776 4.069 249 2HB SER 36 2HB SER 36 16.798 -11.321 4.550 250 HG SER 36 HG SER 36 15.223 -12.635 5.568 251 H VAL 37 H VAL 37 14.665 -7.589 4.534 252 HA VAL 37 HA VAL 37 13.355 -6.984 6.979 253 HB VAL 37 HB VAL 37 12.974 -6.185 4.098 254 1HG1 VAL 37 1HG1 VAL 37 11.013 -6.048 6.174 255 2HG1 VAL 37 2HG1 VAL 37 11.585 -4.397 5.837 256 3HG1 VAL 37 3HG1 VAL 37 10.931 -5.399 4.518 257 1HG2 VAL 37 1HG2 VAL 37 14.631 -4.777 4.612 258 2HG2 VAL 37 2HG2 VAL 37 13.499 -3.957 5.713 259 3HG2 VAL 37 3HG2 VAL 37 14.572 -5.235 6.331 260 H SER 38 H SER 38 11.492 -7.798 7.839 261 HA SER 38 HA SER 38 10.416 -10.093 6.549 262 1HB SER 38 1HB SER 38 9.690 -8.654 9.136 263 2HB SER 38 2HB SER 38 8.911 -10.131 8.605 264 HG SER 38 HG SER 38 10.579 -10.753 9.986 265 H LYS 39 H LYS 39 8.197 -10.359 5.832 266 HA LYS 39 HA LYS 39 7.167 -8.374 4.307 267 1HB LYS 39 1HB LYS 39 5.632 -10.581 5.710 268 2HB LYS 39 2HB LYS 39 5.066 -9.665 4.329 269 1HG LYS 39 1HG LYS 39 7.187 -10.443 3.090 270 2HG LYS 39 2HG LYS 39 7.475 -11.532 4.432 271 1HD LYS 39 1HD LYS 39 4.912 -12.219 3.965 272 2HD LYS 39 2HD LYS 39 5.278 -11.601 2.367 273 1HE LYS 39 1HE LYS 39 6.750 -13.318 1.880 274 2HE LYS 39 2HE LYS 39 7.351 -13.417 3.524 275 1HZ LYS 39 1HZ LYS 39 5.132 -14.389 4.080 276 2HZ LYS 39 2HZ LYS 39 4.849 -14.523 2.476 277 3HZ LYS 39 3HZ LYS 39 6.097 -15.328 3.155 278 H SER 40 H SER 40 6.197 -9.184 7.709 279 HA SER 40 HA SER 40 4.239 -7.477 8.130 280 1HB SER 40 1HB SER 40 5.146 -8.899 9.896 281 2HB SER 40 2HB SER 40 6.641 -7.984 9.937 282 HG SER 40 HG SER 40 4.185 -6.586 10.380 283 H THR 41 H THR 41 7.685 -6.499 8.819 284 HA THR 41 HA THR 41 7.162 -3.789 9.069 285 HB THR 41 HB THR 41 9.673 -5.287 8.150 286 HG1 THR 41 1HG THR 41 9.868 -5.568 10.377 287 1HG2 THR 41 1HG2 THR 41 10.190 -2.973 7.811 288 2HG2 THR 41 2HG2 THR 41 9.173 -2.462 9.179 289 3HG2 THR 41 3HG2 THR 41 10.723 -3.284 9.480 290 H GLN 42 H GLN 42 8.119 -5.672 6.135 291 HA GLN 42 HA GLN 42 8.392 -3.559 4.449 292 1HB GLN 42 1HB GLN 42 8.854 -6.032 4.008 293 2HB GLN 42 2HB GLN 42 7.140 -6.233 3.694 294 1HG GLN 42 1HG GLN 42 7.207 -4.996 1.710 295 2HG GLN 42 2HG GLN 42 8.554 -4.007 2.238 296 1HE2 GLN 42 1HE2 GLN 42 8.467 -5.133 -0.260 297 2HE2 GLN 42 2HE2 GLN 42 9.688 -6.351 -0.430 298 H PHE 43 H PHE 43 5.414 -5.651 4.607 299 HA PHE 43 HA PHE 43 3.803 -3.993 3.138 300 1HB PHE 43 1HB PHE 43 3.001 -6.185 3.673 301 2HB PHE 43 2HB PHE 43 3.493 -6.054 5.351 302 HD1 PHE 43 1HD PHE 43 2.030 -5.091 7.001 303 HD2 PHE 43 2HD PHE 43 0.893 -5.166 2.914 304 HE1 PHE 43 1HE PHE 43 -0.327 -4.515 7.646 305 HE2 PHE 43 2HE PHE 43 -1.463 -4.591 3.559 306 HZ PHE 43 HZ PHE 43 -2.045 -4.272 5.917 307 H GLU 44 H GLU 44 4.624 -3.879 6.632 308 HA GLU 44 HA GLU 44 2.637 -2.100 7.364 309 1HB GLU 44 1HB GLU 44 5.251 -3.021 8.489 310 2HB GLU 44 2HB GLU 44 4.637 -1.509 9.126 311 1HG GLU 44 1HG GLU 44 2.338 -2.979 9.207 312 2HG GLU 44 2HG GLU 44 3.505 -4.276 9.374 313 H TYR 45 H TYR 45 6.148 -1.198 7.294 314 HA TYR 45 HA TYR 45 5.919 1.461 7.188 315 1HB TYR 45 1HB TYR 45 8.075 0.289 7.215 316 2HB TYR 45 2HB TYR 45 7.706 -0.560 5.727 317 HD1 TYR 45 1HD TYR 45 7.727 3.068 6.721 318 HD2 TYR 45 2HD TYR 45 9.127 0.067 4.013 319 HE1 TYR 45 1HE TYR 45 8.978 4.839 5.394 320 HE2 TYR 45 2HE TYR 45 10.373 1.849 2.694 321 HH TYR 45 HH TYR 45 9.885 5.222 3.316 322 H ALA 46 H ALA 46 5.445 -0.796 4.428 323 HA ALA 46 HA ALA 46 5.372 1.134 2.419 324 1HB ALA 46 1HB ALA 46 4.541 -0.615 1.068 325 2HB ALA 46 2HB ALA 46 5.488 -1.457 2.319 326 3HB ALA 46 3HB ALA 46 3.712 -1.399 2.435 327 H TRP 47 H TRP 47 2.603 -0.506 4.125 328 HA TRP 47 HA TRP 47 0.597 1.017 3.040 329 1HB TRP 47 1HB TRP 47 0.041 -0.923 4.245 330 2HB TRP 47 2HB TRP 47 0.884 -0.388 5.686 331 HD1 TRP 47 HD TRP 47 -0.786 0.394 7.523 332 HE1 TRP 47 1HE TRP 47 -3.176 1.498 7.698 333 HE3 TRP 47 3HE TRP 47 -1.526 0.835 2.511 334 HZ2 TRP 47 2HZ TRP 47 -5.066 2.411 5.764 335 HZ3 TRP 47 3HZ TRP 47 -3.671 1.843 1.738 336 HH2 TRP 47 HH TRP 47 -5.408 2.617 3.273 337 H CYS 48 H CYS 48 3.053 1.796 5.468 338 HA CYS 48 HA CYS 48 1.707 4.006 6.580 339 1HB CYS 48 1HB CYS 48 4.348 2.746 6.810 340 2HB CYS 48 2HB CYS 48 4.417 4.493 6.942 341 HG CYS 48 HG CYS 48 3.283 2.225 8.878 342 H LEU 49 H LEU 49 3.904 3.437 3.800 343 HA LEU 49 HA LEU 49 4.431 6.140 3.251 344 1HB LEU 49 1HB LEU 49 4.570 3.600 1.646 345 2HB LEU 49 2HB LEU 49 4.940 5.158 0.932 346 HG LEU 49 HG LEU 49 6.360 3.931 3.313 347 1HD1 LEU 49 1HD1 LEU 49 7.993 3.150 1.941 348 2HD1 LEU 49 2HD1 LEU 49 6.623 3.044 0.809 349 3HD1 LEU 49 3HD1 LEU 49 7.744 4.424 0.724 350 1HD2 LEU 49 1HD2 LEU 49 6.537 6.609 1.998 351 2HD2 LEU 49 2HD2 LEU 49 6.674 6.161 3.714 352 3HD2 LEU 49 3HD2 LEU 49 8.030 5.851 2.603 353 H VAL 50 H VAL 50 2.232 3.832 1.495 354 HA VAL 50 HA VAL 50 0.987 5.574 -0.127 355 HB VAL 50 HB VAL 50 -1.039 4.075 0.184 356 1HG1 VAL 50 1HG1 VAL 50 0.089 2.124 -0.838 357 2HG1 VAL 50 2HG1 VAL 50 0.630 3.667 -1.543 358 3HG1 VAL 50 3HG1 VAL 50 1.665 2.810 -0.375 359 1HG2 VAL 50 1HG2 VAL 50 -0.236 1.880 1.445 360 2HG2 VAL 50 2HG2 VAL 50 0.734 3.052 2.369 361 3HG2 VAL 50 3HG2 VAL 50 -1.038 3.212 2.312 362 H ARG 51 H ARG 51 0.126 4.918 3.332 363 HA ARG 51 HA ARG 51 -2.029 6.583 3.437 364 1HB ARG 51 1HB ARG 51 -0.047 5.512 5.433 365 2HB ARG 51 2HB ARG 51 -1.059 6.835 5.975 366 1HG ARG 51 1HG ARG 51 -3.091 5.598 5.532 367 2HG ARG 51 2HG ARG 51 -2.234 4.376 4.614 368 1HD ARG 51 1HD ARG 51 -2.797 3.559 6.899 369 2HD ARG 51 2HD ARG 51 -1.063 3.602 6.651 370 HE ARG 51 HE ARG 51 -1.963 6.110 7.766 371 1HH1 ARG 51 1HH1 ARG 51 -1.341 2.758 8.640 372 2HH1 ARG 51 2HH1 ARG 51 -1.016 3.118 10.303 373 1HH2 ARG 51 1HH2 ARG 51 -1.535 6.586 9.960 374 2HH2 ARG 51 2HH2 ARG 51 -1.128 5.311 11.058 375 H SER 52 H SER 52 1.486 7.273 3.799 376 HA SER 52 HA SER 52 1.559 9.679 4.878 377 1HB SER 52 1HB SER 52 3.460 8.321 3.817 378 2HB SER 52 2HB SER 52 3.035 9.062 2.287 379 HG SER 52 HG SER 52 3.426 10.804 4.506 380 H LYS 53 H LYS 53 1.696 11.941 3.935 381 HA LYS 53 HA LYS 53 -0.543 12.321 2.141 382 1HB LYS 53 1HB LYS 53 -0.414 14.645 2.808 383 2HB LYS 53 2HB LYS 53 -0.392 13.616 4.225 384 1HG LYS 53 1HG LYS 53 2.266 13.774 3.892 385 2HG LYS 53 2HG LYS 53 1.853 15.238 3.022 386 1HD LYS 53 1HD LYS 53 0.353 15.084 5.532 387 2HD LYS 53 2HD LYS 53 2.072 14.923 5.835 388 1HE LYS 53 1HE LYS 53 2.574 17.055 4.972 389 2HE LYS 53 2HE LYS 53 1.160 17.089 3.937 390 1HZ LYS 53 1HZ LYS 53 -0.201 17.318 5.905 391 2HZ LYS 53 2HZ LYS 53 1.117 17.286 6.869 392 3HZ LYS 53 3HZ LYS 53 0.897 18.523 5.827 393 H TYR 54 H TYR 54 2.746 11.707 1.835 394 HA TYR 54 HA TYR 54 3.110 13.523 -0.416 395 1HB TYR 54 1HB TYR 54 4.828 11.424 1.050 396 2HB TYR 54 2HB TYR 54 5.443 12.418 -0.255 397 HD1 TYR 54 1HD TYR 54 6.527 14.416 0.259 398 HD2 TYR 54 2HD TYR 54 3.782 12.759 3.091 399 HE1 TYR 54 1HE TYR 54 7.161 16.217 1.938 400 HE2 TYR 54 2HE TYR 54 4.425 14.565 4.761 401 HH TYR 54 HH TYR 54 5.365 16.994 4.510 402 H ASN 55 H ASN 55 3.421 12.836 -2.559 403 HA ASN 55 HA ASN 55 2.126 10.406 -3.175 404 1HB ASN 55 1HB ASN 55 3.773 12.157 -5.066 405 2HB ASN 55 2HB ASN 55 2.470 11.071 -5.507 406 1HD2 ASN 55 1HD2 ASN 55 0.319 11.531 -4.727 407 2HD2 ASN 55 2HD2 ASN 55 -0.194 13.167 -4.482 408 H GLU 56 H GLU 56 5.485 11.760 -3.580 409 HA GLU 56 HA GLU 56 6.722 9.766 -4.823 410 1HB GLU 56 1HB GLU 56 7.582 11.648 -2.636 411 2HB GLU 56 2HB GLU 56 8.695 10.379 -3.105 412 1HG GLU 56 1HG GLU 56 7.377 12.091 -5.235 413 2HG GLU 56 2HG GLU 56 8.765 12.705 -4.360 414 H ASP 57 H ASP 57 5.565 9.767 -1.448 415 HA ASP 57 HA ASP 57 6.997 7.491 -0.676 416 1HB ASP 57 1HB ASP 57 4.562 8.969 0.355 417 2HB ASP 57 2HB ASP 57 4.976 7.419 1.060 418 H ILE 58 H ILE 58 3.602 8.130 -1.809 419 HA ILE 58 HA ILE 58 2.477 5.691 -1.554 420 HB ILE 58 HB ILE 58 2.224 7.779 -3.704 421 1HG1 ILE 58 1HG1 ILE 58 0.383 6.998 -1.425 422 2HG1 ILE 58 2HG1 ILE 58 1.536 8.317 -1.365 423 1HG2 ILE 58 1HG2 ILE 58 0.957 5.083 -3.548 424 2HG2 ILE 58 2HG2 ILE 58 -0.057 6.460 -4.040 425 3HG2 ILE 58 3HG2 ILE 58 1.412 6.062 -4.963 426 1HD1 ILE 58 1HD1 ILE 58 -0.895 8.046 -3.175 427 2HD1 ILE 58 2HD1 ILE 58 -0.539 9.327 -1.990 428 3HD1 ILE 58 3HD1 ILE 58 0.396 9.227 -3.501 429 H ARG 59 H ARG 59 4.184 6.779 -4.579 430 HA ARG 59 HA ARG 59 4.152 4.582 -5.987 431 1HB ARG 59 1HB ARG 59 5.480 6.793 -6.365 432 2HB ARG 59 2HB ARG 59 6.810 6.012 -5.533 433 1HG ARG 59 1HG ARG 59 7.137 4.424 -7.237 434 2HG ARG 59 2HG ARG 59 5.477 4.517 -7.793 435 1HD ARG 59 1HD ARG 59 7.014 7.065 -8.037 436 2HD ARG 59 2HD ARG 59 7.605 5.756 -9.040 437 HE ARG 59 HE ARG 59 4.792 5.783 -9.345 438 1HH1 ARG 59 1HH1 ARG 59 7.504 7.925 -10.010 439 2HH1 ARG 59 2HH1 ARG 59 6.730 8.698 -11.352 440 1HH2 ARG 59 1HH2 ARG 59 3.770 6.803 -11.115 441 2HH2 ARG 59 2HH2 ARG 59 4.591 8.056 -11.985 442 H ARG 60 H ARG 60 6.506 5.198 -3.288 443 HA ARG 60 HA ARG 60 7.774 2.738 -3.558 444 1HB ARG 60 1HB ARG 60 7.662 4.921 -1.488 445 2HB ARG 60 2HB ARG 60 8.274 3.369 -0.954 446 1HG ARG 60 1HG ARG 60 10.282 3.948 -1.838 447 2HG ARG 60 2HG ARG 60 9.561 3.771 -3.426 448 1HD ARG 60 1HD ARG 60 8.777 6.191 -3.271 449 2HD ARG 60 2HD ARG 60 9.666 6.337 -1.768 450 HE ARG 60 HE ARG 60 11.391 5.282 -3.827 451 1HH1 ARG 60 1HH1 ARG 60 9.864 8.271 -2.769 452 2HH1 ARG 60 2HH1 ARG 60 11.072 9.289 -3.479 453 1HH2 ARG 60 1HH2 ARG 60 12.985 6.625 -4.764 454 2HH2 ARG 60 2HH2 ARG 60 12.859 8.347 -4.622 455 H GLY 61 H GLY 61 5.392 3.953 -1.078 456 1HA GLY 61 1HA GLY 61 4.991 1.772 0.449 457 2HA GLY 61 2HA GLY 61 3.707 2.866 -0.027 458 H ILE 62 H ILE 62 4.093 2.163 -2.975 459 HA ILE 62 HA ILE 62 2.334 -0.109 -2.930 460 HB ILE 62 HB ILE 62 3.429 1.583 -5.178 461 1HG1 ILE 62 1HG1 ILE 62 0.698 1.596 -3.858 462 2HG1 ILE 62 2HG1 ILE 62 1.967 2.765 -3.548 463 1HG2 ILE 62 1HG2 ILE 62 0.983 0.022 -5.648 464 2HG2 ILE 62 2HG2 ILE 62 2.393 0.305 -6.697 465 3HG2 ILE 62 3HG2 ILE 62 2.454 -0.959 -5.445 466 1HD1 ILE 62 1HD1 ILE 62 1.926 3.556 -5.842 467 2HD1 ILE 62 2HD1 ILE 62 0.861 2.218 -6.338 468 3HD1 ILE 62 3HD1 ILE 62 0.243 3.498 -5.266 469 H VAL 63 H VAL 63 5.495 0.665 -4.559 470 HA VAL 63 HA VAL 63 6.109 -1.689 -5.637 471 HB VAL 63 HB VAL 63 7.855 0.193 -4.049 472 1HG1 VAL 63 1HG1 VAL 63 9.492 -1.103 -5.894 473 2HG1 VAL 63 2HG1 VAL 63 9.473 -1.354 -4.132 474 3HG1 VAL 63 3HG1 VAL 63 8.512 -2.412 -5.192 475 1HG2 VAL 63 1HG2 VAL 63 8.129 0.016 -6.979 476 2HG2 VAL 63 2HG2 VAL 63 6.534 0.583 -6.425 477 3HG2 VAL 63 3HG2 VAL 63 8.009 1.441 -5.917 478 H LEU 64 H LEU 64 6.830 -0.865 -2.167 479 HA LEU 64 HA LEU 64 7.779 -3.336 -1.437 480 1HB LEU 64 1HB LEU 64 6.106 -1.714 0.439 481 2HB LEU 64 2HB LEU 64 7.574 -2.618 0.751 482 HG LEU 64 HG LEU 64 7.289 0.076 -0.583 483 1HD1 LEU 64 1HD1 LEU 64 9.253 0.312 1.272 484 2HD1 LEU 64 2HD1 LEU 64 7.531 0.639 1.582 485 3HD1 LEU 64 3HD1 LEU 64 8.233 -0.936 2.028 486 1HD2 LEU 64 1HD2 LEU 64 9.059 -0.298 -1.862 487 2HD2 LEU 64 2HD2 LEU 64 10.032 -0.580 -0.398 488 3HD2 LEU 64 3HD2 LEU 64 9.229 -1.945 -1.210 489 H LEU 65 H LEU 65 4.370 -2.103 -1.167 490 HA LEU 65 HA LEU 65 3.293 -4.480 -0.241 491 1HB LEU 65 1HB LEU 65 2.377 -1.926 -1.240 492 2HB LEU 65 2HB LEU 65 1.339 -3.220 -1.807 493 HG LEU 65 HG LEU 65 0.619 -3.784 0.318 494 1HD1 LEU 65 1HD1 LEU 65 2.324 -4.257 1.712 495 2HD1 LEU 65 2HD1 LEU 65 3.305 -2.875 1.166 496 3HD1 LEU 65 3HD1 LEU 65 1.989 -2.625 2.339 497 1HD2 LEU 65 1HD2 LEU 65 -0.544 -1.912 0.554 498 2HD2 LEU 65 2HD2 LEU 65 0.820 -1.190 1.442 499 3HD2 LEU 65 3HD2 LEU 65 0.704 -0.994 -0.323 500 H GLU 66 H GLU 66 3.829 -3.284 -3.605 501 HA GLU 66 HA GLU 66 2.606 -5.539 -4.753 502 1HB GLU 66 1HB GLU 66 4.385 -3.315 -5.792 503 2HB GLU 66 2HB GLU 66 3.948 -4.655 -6.834 504 1HG GLU 66 1HG GLU 66 1.530 -4.200 -6.429 505 2HG GLU 66 2HG GLU 66 1.948 -2.883 -5.351 506 H GLU 67 H GLU 67 5.503 -5.174 -3.038 507 HA GLU 67 HA GLU 67 6.964 -7.064 -4.643 508 1HB GLU 67 1HB GLU 67 7.587 -5.099 -2.549 509 2HB GLU 67 2HB GLU 67 8.381 -6.632 -2.251 510 1HG GLU 67 1HG GLU 67 8.659 -6.143 -5.050 511 2HG GLU 67 2HG GLU 67 8.995 -4.613 -4.263 512 H LEU 68 H LEU 68 4.657 -7.059 -2.092 513 HA LEU 68 HA LEU 68 5.554 -9.717 -1.224 514 1HB LEU 68 1HB LEU 68 3.601 -7.980 0.256 515 2HB LEU 68 2HB LEU 68 4.526 -9.346 0.845 516 HG LEU 68 HG LEU 68 6.225 -7.153 -0.108 517 1HD1 LEU 68 1HD1 LEU 68 5.415 -6.170 2.397 518 2HD1 LEU 68 2HD1 LEU 68 5.190 -5.414 0.801 519 3HD1 LEU 68 3HD1 LEU 68 3.917 -6.457 1.479 520 1HD2 LEU 68 1HD2 LEU 68 6.084 -8.483 2.607 521 2HD2 LEU 68 2HD2 LEU 68 6.937 -9.172 1.204 522 3HD2 LEU 68 3HD2 LEU 68 7.456 -7.609 1.883 523 H LEU 69 H LEU 69 3.331 -7.996 -3.173 524 HA LEU 69 HA LEU 69 0.954 -9.298 -2.811 525 1HB LEU 69 1HB LEU 69 2.206 -7.650 -4.777 526 2HB LEU 69 2HB LEU 69 1.397 -8.968 -5.602 527 HG LEU 69 HG LEU 69 -0.130 -7.153 -5.490 528 1HD1 LEU 69 1HD1 LEU 69 -1.636 -8.313 -3.420 529 2HD1 LEU 69 2HD1 LEU 69 -1.721 -8.663 -5.163 530 3HD1 LEU 69 3HD1 LEU 69 -0.660 -9.630 -4.112 531 1HD2 LEU 69 1HD2 LEU 69 -0.769 -5.993 -3.466 532 2HD2 LEU 69 2HD2 LEU 69 0.291 -7.039 -2.491 533 3HD2 LEU 69 3HD2 LEU 69 0.997 -5.911 -3.674 534 HA PRO 70 HA PRO 70 2.474 -12.808 -5.555 535 1HB PRO 70 1HB PRO 70 5.011 -12.818 -6.571 536 2HB PRO 70 2HB PRO 70 3.626 -12.213 -7.458 537 1HG PRO 70 1HG PRO 70 5.785 -10.691 -6.132 538 2HG PRO 70 2HG PRO 70 4.653 -10.152 -7.357 539 1HD PRO 70 1HD PRO 70 4.550 -9.569 -4.551 540 2HD PRO 70 2HD PRO 70 3.359 -9.128 -5.757 541 H LYS 71 H LYS 71 4.648 -11.479 -3.263 542 HA LYS 71 HA LYS 71 5.070 -14.212 -2.277 543 1HB LYS 71 1HB LYS 71 7.318 -13.431 -1.490 544 2HB LYS 71 2HB LYS 71 7.153 -13.571 -3.229 545 1HG LYS 71 1HG LYS 71 6.597 -11.068 -3.283 546 2HG LYS 71 2HG LYS 71 7.027 -11.003 -1.585 547 1HD LYS 71 1HD LYS 71 9.116 -12.395 -3.072 548 2HD LYS 71 2HD LYS 71 8.785 -10.849 -3.829 549 1HE LYS 71 1HE LYS 71 10.374 -10.235 -2.215 550 2HE LYS 71 2HE LYS 71 8.880 -9.896 -1.364 551 1HZ LYS 71 1HZ LYS 71 10.140 -12.522 -1.152 552 2HZ LYS 71 2HZ LYS 71 10.631 -11.283 -0.208 553 3HZ LYS 71 3HZ LYS 71 9.089 -11.811 -0.125 554 H GLY 72 H GLY 72 3.019 -13.685 -1.102 555 1HA GLY 72 1HA GLY 72 3.693 -12.350 1.420 556 2HA GLY 72 2HA GLY 72 2.304 -11.774 0.521 557 H SER 73 H SER 73 0.433 -13.154 0.224 558 HA SER 73 HA SER 73 0.256 -15.761 0.910 559 1HB SER 73 1HB SER 73 0.689 -14.248 3.266 560 2HB SER 73 2HB SER 73 -1.024 -14.617 3.279 561 HG SER 73 HG SER 73 0.811 -16.231 4.120 562 H LYS 74 H LYS 74 -2.173 -16.373 1.455 563 HA LYS 74 HA LYS 74 -3.791 -15.225 -0.450 564 1HB LYS 74 1HB LYS 74 -4.075 -17.150 1.757 565 2HB LYS 74 2HB LYS 74 -5.559 -16.301 1.376 566 1HG LYS 74 1HG LYS 74 -5.677 -18.070 -0.146 567 2HG LYS 74 2HG LYS 74 -4.917 -16.843 -1.139 568 1HD LYS 74 1HD LYS 74 -2.750 -18.069 0.180 569 2HD LYS 74 2HD LYS 74 -3.826 -19.404 -0.177 570 1HE LYS 74 1HE LYS 74 -3.719 -17.664 -2.495 571 2HE LYS 74 2HE LYS 74 -2.079 -18.016 -1.985 572 1HZ LYS 74 1HZ LYS 74 -2.326 -19.988 -2.893 573 2HZ LYS 74 2HZ LYS 74 -3.493 -20.371 -1.816 574 3HZ LYS 74 3HZ LYS 74 -3.895 -19.708 -3.254 575 H GLU 75 H GLU 75 -5.122 -15.104 2.840 576 HA GLU 75 HA GLU 75 -6.525 -12.888 2.578 577 1HB GLU 75 1HB GLU 75 -6.421 -12.621 5.025 578 2HB GLU 75 2HB GLU 75 -6.526 -14.316 4.597 579 1HG GLU 75 1HG GLU 75 -3.796 -13.991 4.624 580 2HG GLU 75 2HG GLU 75 -4.261 -12.808 5.830 581 H GLU 76 H GLU 76 -3.001 -13.070 2.903 582 HA GLU 76 HA GLU 76 -2.528 -10.474 3.706 583 1HB GLU 76 1HB GLU 76 -0.940 -12.557 2.199 584 2HB GLU 76 2HB GLU 76 -0.290 -10.936 2.341 585 1HG GLU 76 1HG GLU 76 -1.132 -11.445 4.945 586 2HG GLU 76 2HG GLU 76 -0.603 -13.031 4.420 587 H GLN 77 H GLN 77 -2.708 -11.912 0.377 588 HA GLN 77 HA GLN 77 -2.180 -9.554 -0.955 589 1HB GLN 77 1HB GLN 77 -3.674 -12.080 -1.738 590 2HB GLN 77 2HB GLN 77 -3.459 -10.762 -2.872 591 1HG GLN 77 1HG GLN 77 -0.925 -10.895 -2.297 592 2HG GLN 77 2HG GLN 77 -1.294 -12.423 -1.521 593 1HE2 GLN 77 1HE2 GLN 77 -0.071 -13.595 -2.960 594 2HE2 GLN 77 2HE2 GLN 77 -0.548 -13.908 -4.595 595 H ARG 78 H ARG 78 -5.168 -10.869 0.475 596 HA ARG 78 HA ARG 78 -6.951 -9.259 -0.880 597 1HB ARG 78 1HB ARG 78 -6.985 -10.653 1.820 598 2HB ARG 78 2HB ARG 78 -8.329 -9.627 1.361 599 1HG ARG 78 1HG ARG 78 -8.967 -11.801 0.622 600 2HG ARG 78 2HG ARG 78 -8.446 -10.983 -0.836 601 1HD ARG 78 1HD ARG 78 -6.551 -12.298 -1.072 602 2HD ARG 78 2HD ARG 78 -6.291 -12.430 0.656 603 HE ARG 78 HE ARG 78 -7.755 -14.298 0.740 604 1HH1 ARG 78 1HH1 ARG 78 -7.762 -12.837 -2.461 605 2HH1 ARG 78 2HH1 ARG 78 -8.580 -14.169 -3.207 606 1HH2 ARG 78 1HH2 ARG 78 -8.834 -16.055 -0.243 607 2HH2 ARG 78 2HH2 ARG 78 -9.194 -16.011 -1.937 608 H ASP 79 H ASP 79 -4.965 -8.746 2.071 609 HA ASP 79 HA ASP 79 -6.246 -6.290 2.680 610 1HB ASP 79 1HB ASP 79 -4.174 -8.035 3.828 611 2HB ASP 79 2HB ASP 79 -3.723 -6.347 3.957 612 H TYR 80 H TYR 80 -3.470 -7.469 0.799 613 HA TYR 80 HA TYR 80 -1.969 -5.110 0.682 614 1HB TYR 80 1HB TYR 80 -2.468 -7.554 -1.112 615 2HB TYR 80 2HB TYR 80 -1.294 -6.338 -1.574 616 HD1 TYR 80 1HD TYR 80 -0.301 -8.994 -1.358 617 HD2 TYR 80 2HD TYR 80 -0.933 -6.157 1.781 618 HE1 TYR 80 1HE TYR 80 1.463 -10.157 0.057 619 HE2 TYR 80 2HE TYR 80 0.832 -7.329 3.186 620 HH TYR 80 HH TYR 80 2.137 -10.394 2.251 621 H VAL 81 H VAL 81 -3.743 -6.501 -2.149 622 HA VAL 81 HA VAL 81 -3.829 -4.407 -3.749 623 HB VAL 81 HB VAL 81 -6.239 -6.123 -3.121 624 1HG1 VAL 81 1HG1 VAL 81 -7.047 -4.581 -4.635 625 2HG1 VAL 81 2HG1 VAL 81 -5.466 -4.360 -5.424 626 3HG1 VAL 81 3HG1 VAL 81 -6.419 -5.832 -5.735 627 1HG2 VAL 81 1HG2 VAL 81 -4.878 -7.845 -3.605 628 2HG2 VAL 81 2HG2 VAL 81 -4.980 -7.271 -5.286 629 3HG2 VAL 81 3HG2 VAL 81 -3.610 -6.783 -4.260 630 H PHE 82 H PHE 82 -6.274 -4.918 -1.107 631 HA PHE 82 HA PHE 82 -7.843 -2.813 -1.343 632 1HB PHE 82 1HB PHE 82 -7.745 -4.488 0.554 633 2HB PHE 82 2HB PHE 82 -6.300 -3.708 1.166 634 HD1 PHE 82 1HD PHE 82 -9.305 -1.972 -0.129 635 HD2 PHE 82 2HD PHE 82 -7.060 -3.063 3.302 636 HE1 PHE 82 1HE PHE 82 -10.722 -0.454 1.281 637 HE2 PHE 82 2HE PHE 82 -8.475 -1.544 4.711 638 HZ PHE 82 HZ PHE 82 -10.290 -0.258 3.684 639 H TYR 83 H TYR 83 -4.436 -2.675 -0.172 640 HA TYR 83 HA TYR 83 -4.628 0.161 0.308 641 1HB TYR 83 1HB TYR 83 -2.504 -2.055 0.331 642 2HB TYR 83 2HB TYR 83 -2.029 -0.386 0.572 643 HD1 TYR 83 1HD TYR 83 -5.253 -0.782 1.934 644 HD2 TYR 83 2HD TYR 83 -1.146 -1.674 2.733 645 HE1 TYR 83 1HE TYR 83 -5.773 -0.991 4.413 646 HE2 TYR 83 2HE TYR 83 -1.679 -1.881 5.210 647 HH TYR 83 HH TYR 83 -5.008 -1.433 6.378 648 H LEU 84 H LEU 84 -2.775 -2.014 -1.944 649 HA LEU 84 HA LEU 84 -1.413 -0.226 -3.385 650 1HB LEU 84 1HB LEU 84 -2.882 -2.716 -4.192 651 2HB LEU 84 2HB LEU 84 -2.005 -1.777 -5.383 652 HG LEU 84 HG LEU 84 0.046 -2.011 -3.893 653 1HD1 LEU 84 1HD1 LEU 84 -0.573 -2.652 -1.795 654 2HD1 LEU 84 2HD1 LEU 84 -1.904 -3.682 -2.375 655 3HD1 LEU 84 3HD1 LEU 84 -0.222 -4.251 -2.494 656 1HD2 LEU 84 1HD2 LEU 84 -1.167 -4.506 -5.115 657 2HD2 LEU 84 2HD2 LEU 84 -0.208 -3.266 -5.957 658 3HD2 LEU 84 3HD2 LEU 84 0.550 -4.279 -4.704 659 H ALA 85 H ALA 85 -4.949 -0.831 -3.564 660 HA ALA 85 HA ALA 85 -5.309 0.937 -5.770 661 1HB ALA 85 1HB ALA 85 -6.754 -1.070 -4.988 662 2HB ALA 85 2HB ALA 85 -7.435 0.066 -3.798 663 3HB ALA 85 3HB ALA 85 -7.595 0.400 -5.539 664 H VAL 86 H VAL 86 -5.834 1.114 -2.186 665 HA VAL 86 HA VAL 86 -6.884 3.659 -2.106 666 HB VAL 86 HB VAL 86 -5.259 1.990 -0.209 667 1HG1 VAL 86 1HG1 VAL 86 -6.403 4.741 0.389 668 2HG1 VAL 86 2HG1 VAL 86 -5.670 3.627 1.570 669 3HG1 VAL 86 3HG1 VAL 86 -4.674 4.330 0.272 670 1HG2 VAL 86 1HG2 VAL 86 -8.052 2.990 0.263 671 2HG2 VAL 86 2HG2 VAL 86 -7.782 1.658 -0.886 672 3HG2 VAL 86 3HG2 VAL 86 -7.271 1.488 0.811 673 H GLY 87 H GLY 87 -3.419 2.598 -1.949 674 1HA GLY 87 1HA GLY 87 -2.344 5.193 -1.743 675 2HA GLY 87 2HA GLY 87 -1.507 3.740 -2.254 676 H ASN 88 H ASN 88 -2.772 2.957 -4.582 677 HA ASN 88 HA ASN 88 -1.627 4.546 -6.452 678 1HB ASN 88 1HB ASN 88 -3.769 2.435 -6.463 679 2HB ASN 88 2HB ASN 88 -3.656 3.413 -7.913 680 1HD2 ASN 88 1HD2 ASN 88 -2.826 0.578 -6.819 681 2HD2 ASN 88 2HD2 ASN 88 -1.270 0.312 -7.532 682 H TYR 89 H TYR 89 -5.143 4.329 -5.503 683 HA TYR 89 HA TYR 89 -6.210 6.193 -7.165 684 1HB TYR 89 1HB TYR 89 -7.592 4.904 -5.639 685 2HB TYR 89 2HB TYR 89 -6.607 5.338 -4.256 686 HD1 TYR 89 1HD TYR 89 -8.907 6.883 -6.780 687 HD2 TYR 89 2HD TYR 89 -7.342 7.011 -2.801 688 HE1 TYR 89 1HE TYR 89 -10.542 8.738 -6.189 689 HE2 TYR 89 2HE TYR 89 -8.981 8.866 -2.223 690 HH TYR 89 HH TYR 89 -11.487 9.481 -3.391 691 H ARG 90 H ARG 90 -4.647 6.787 -3.946 692 HA ARG 90 HA ARG 90 -5.129 9.521 -4.011 693 1HB ARG 90 1HB ARG 90 -4.066 7.684 -2.188 694 2HB ARG 90 2HB ARG 90 -2.674 8.678 -2.566 695 1HG ARG 90 1HG ARG 90 -5.329 9.994 -1.921 696 2HG ARG 90 2HG ARG 90 -4.316 9.403 -0.620 697 1HD ARG 90 1HD ARG 90 -2.750 11.065 -0.903 698 2HD ARG 90 2HD ARG 90 -2.836 10.992 -2.652 699 HE ARG 90 HE ARG 90 -5.295 12.089 -1.709 700 1HH1 ARG 90 1HH1 ARG 90 -1.884 12.939 -1.880 701 2HH1 ARG 90 2HH1 ARG 90 -2.180 14.644 -1.930 702 1HH2 ARG 90 1HH2 ARG 90 -5.686 14.338 -1.775 703 2HH2 ARG 90 2HH2 ARG 90 -4.357 15.446 -1.870 704 H LEU 91 H LEU 91 -2.605 7.434 -5.391 705 HA LEU 91 HA LEU 91 -0.860 9.661 -5.957 706 1HB LEU 91 1HB LEU 91 0.410 7.845 -5.496 707 2HB LEU 91 2HB LEU 91 -0.756 6.706 -6.141 708 HG LEU 91 HG LEU 91 -0.091 7.368 -8.448 709 1HD1 LEU 91 1HD1 LEU 91 1.013 9.593 -7.246 710 2HD1 LEU 91 2HD1 LEU 91 2.438 8.607 -7.656 711 3HD1 LEU 91 3HD1 LEU 91 1.277 9.065 -8.925 712 1HD2 LEU 91 1HD2 LEU 91 0.919 5.445 -7.099 713 2HD2 LEU 91 2HD2 LEU 91 1.819 6.009 -8.527 714 3HD2 LEU 91 3HD2 LEU 91 2.344 6.492 -6.896 715 H LYS 92 H LYS 92 -3.800 8.943 -7.095 716 HA LYS 92 HA LYS 92 -4.878 9.560 -8.928 717 1HB LYS 92 1HB LYS 92 -2.213 10.535 -9.997 718 2HB LYS 92 2HB LYS 92 -3.789 10.901 -10.667 719 1HG LYS 92 1HG LYS 92 -4.230 11.662 -8.084 720 2HG LYS 92 2HG LYS 92 -2.501 11.933 -8.162 721 1HD LYS 92 1HD LYS 92 -2.737 13.449 -10.052 722 2HD LYS 92 2HD LYS 92 -4.420 13.013 -10.272 723 1HE LYS 92 1HE LYS 92 -5.092 14.128 -8.249 724 2HE LYS 92 2HE LYS 92 -3.445 14.235 -7.660 725 1HZ LYS 92 1HZ LYS 92 -3.549 15.478 -10.133 726 2HZ LYS 92 2HZ LYS 92 -4.804 16.046 -9.257 727 3HZ LYS 92 3HZ LYS 92 -3.284 16.163 -8.676 728 H GLU 93 H GLU 93 -3.483 6.918 -8.424 729 HA GLU 93 HA GLU 93 -3.122 6.069 -11.175 730 1HB GLU 93 1HB GLU 93 -2.371 4.859 -8.494 731 2HB GLU 93 2HB GLU 93 -2.372 3.883 -9.949 732 1HG GLU 93 1HG GLU 93 -0.948 6.544 -10.028 733 2HG GLU 93 2HG GLU 93 -0.182 5.227 -9.162 734 H TYR 94 H TYR 94 -5.729 6.710 -10.772 735 HA TYR 94 HA TYR 94 -7.406 4.909 -9.572 736 1HB TYR 94 1HB TYR 94 -7.754 6.226 -12.331 737 2HB TYR 94 2HB TYR 94 -9.032 5.879 -11.185 738 HD1 TYR 94 1HD TYR 94 -7.293 8.479 -12.563 739 HD2 TYR 94 2HD TYR 94 -8.393 6.997 -8.703 740 HE1 TYR 94 1HE TYR 94 -7.068 10.818 -11.592 741 HE2 TYR 94 2HE TYR 94 -8.164 9.340 -7.746 742 HH TYR 94 HH TYR 94 -6.593 11.521 -8.681 743 H GLU 95 H GLU 95 -6.076 4.823 -12.947 744 HA GLU 95 HA GLU 95 -7.434 2.713 -13.897 745 1HB GLU 95 1HB GLU 95 -4.552 3.575 -14.306 746 2HB GLU 95 2HB GLU 95 -5.216 2.213 -15.187 747 1HG GLU 95 1HG GLU 95 -7.077 3.694 -16.024 748 2HG GLU 95 2HG GLU 95 -6.349 5.052 -15.188 749 H LYS 96 H LYS 96 -4.107 2.386 -12.446 750 HA LYS 96 HA LYS 96 -4.235 -0.379 -12.223 751 1HB LYS 96 1HB LYS 96 -2.551 1.774 -10.968 752 2HB LYS 96 2HB LYS 96 -2.399 0.116 -10.419 753 1HG LYS 96 1HG LYS 96 -2.084 -0.573 -12.864 754 2HG LYS 96 2HG LYS 96 -2.027 1.130 -13.274 755 1HD LYS 96 1HD LYS 96 -0.088 1.436 -11.712 756 2HD LYS 96 2HD LYS 96 -0.141 -0.271 -11.321 757 1HE LYS 96 1HE LYS 96 0.096 -0.670 -13.900 758 2HE LYS 96 2HE LYS 96 0.567 1.016 -13.985 759 1HZ LYS 96 1HZ LYS 96 1.909 -0.403 -11.919 760 2HZ LYS 96 2HZ LYS 96 2.203 -1.026 -13.400 761 3HZ LYS 96 3HZ LYS 96 2.524 0.546 -13.098 762 H ALA 97 H ALA 97 -5.180 2.252 -9.953 763 HA ALA 97 HA ALA 97 -5.614 0.801 -7.690 764 1HB ALA 97 1HB ALA 97 -5.816 3.251 -7.886 765 2HB ALA 97 2HB ALA 97 -7.303 3.058 -8.845 766 3HB ALA 97 3HB ALA 97 -7.272 2.551 -7.138 767 H LEU 98 H LEU 98 -8.144 1.537 -10.204 768 HA LEU 98 HA LEU 98 -10.086 -0.104 -9.190 769 1HB LEU 98 1HB LEU 98 -9.497 1.253 -11.697 770 2HB LEU 98 2HB LEU 98 -10.386 -0.236 -11.949 771 HG LEU 98 HG LEU 98 -11.272 1.924 -10.021 772 1HD1 LEU 98 1HD1 LEU 98 -11.204 2.112 -12.818 773 2HD1 LEU 98 2HD1 LEU 98 -12.892 1.722 -12.406 774 3HD1 LEU 98 3HD1 LEU 98 -12.103 3.143 -11.678 775 1HD2 LEU 98 1HD2 LEU 98 -12.080 -0.486 -9.748 776 2HD2 LEU 98 2HD2 LEU 98 -13.319 0.789 -9.861 777 3HD2 LEU 98 3HD2 LEU 98 -12.965 -0.236 -11.273 778 H LYS 99 H LYS 99 -7.785 -0.944 -11.882 779 HA LYS 99 HA LYS 99 -8.421 -3.515 -12.255 780 1HB LYS 99 1HB LYS 99 -5.969 -1.903 -12.503 781 2HB LYS 99 2HB LYS 99 -5.670 -3.623 -12.348 782 1HG LYS 99 1HG LYS 99 -6.996 -4.149 -14.277 783 2HG LYS 99 2HG LYS 99 -7.780 -2.582 -14.274 784 1HD LYS 99 1HD LYS 99 -6.105 -1.622 -15.488 785 2HD LYS 99 2HD LYS 99 -4.858 -2.314 -14.471 786 1HE LYS 99 1HE LYS 99 -6.139 -4.401 -16.079 787 2HE LYS 99 2HE LYS 99 -5.549 -3.110 -17.108 788 1HZ LYS 99 1HZ LYS 99 -3.539 -3.461 -15.368 789 2HZ LYS 99 2HZ LYS 99 -4.076 -4.991 -15.566 790 3HZ LYS 99 3HZ LYS 99 -3.608 -4.115 -16.863 791 H TYR 100 H TYR 100 -6.913 -2.107 -9.375 792 HA TYR 100 HA TYR 100 -6.340 -4.748 -8.302 793 1HB TYR 100 1HB TYR 100 -5.664 -1.868 -7.898 794 2HB TYR 100 2HB TYR 100 -5.970 -2.683 -6.377 795 HD1 TYR 100 1HD TYR 100 -4.885 -5.426 -7.088 796 HD2 TYR 100 2HD TYR 100 -3.333 -1.498 -7.771 797 HE1 TYR 100 1HE TYR 100 -2.520 -6.357 -7.117 798 HE2 TYR 100 2HE TYR 100 -0.973 -2.443 -7.798 799 HH TYR 100 HH TYR 100 -0.169 -5.261 -8.391 800 H VAL 101 H VAL 101 -8.542 -1.941 -7.809 801 HA VAL 101 HA VAL 101 -9.703 -2.975 -5.451 802 HB VAL 101 HB VAL 101 -9.824 -0.642 -7.056 803 1HG1 VAL 101 1HG1 VAL 101 -11.856 -1.561 -8.085 804 2HG1 VAL 101 2HG1 VAL 101 -12.574 -1.792 -6.473 805 3HG1 VAL 101 3HG1 VAL 101 -12.229 -0.150 -7.066 806 1HG2 VAL 101 1HG2 VAL 101 -10.755 -1.481 -4.324 807 2HG2 VAL 101 2HG2 VAL 101 -9.485 -0.324 -4.787 808 3HG2 VAL 101 3HG2 VAL 101 -11.200 0.122 -4.956 809 H ARG 102 H ARG 102 -10.506 -3.152 -8.963 810 HA ARG 102 HA ARG 102 -12.945 -4.402 -8.602 811 1HB ARG 102 1HB ARG 102 -10.994 -4.680 -10.946 812 2HB ARG 102 2HB ARG 102 -12.707 -5.053 -11.004 813 1HG ARG 102 1HG ARG 102 -11.537 -2.297 -10.388 814 2HG ARG 102 2HG ARG 102 -12.189 -2.786 -11.940 815 1HD ARG 102 1HD ARG 102 -14.127 -3.389 -9.850 816 2HD ARG 102 2HD ARG 102 -13.621 -1.718 -9.704 817 HE ARG 102 HE ARG 102 -14.570 -1.239 -11.821 818 1HH1 ARG 102 1HH1 ARG 102 -14.631 -4.699 -11.186 819 2HH1 ARG 102 2HH1 ARG 102 -15.704 -5.051 -12.500 820 1HH2 ARG 102 1HH2 ARG 102 -15.985 -1.702 -13.555 821 2HH2 ARG 102 2HH2 ARG 102 -16.480 -3.335 -13.856 822 H GLY 103 H GLY 103 -9.640 -5.739 -9.329 823 1HA GLY 103 1HA GLY 103 -10.354 -8.444 -9.374 824 2HA GLY 103 2HA GLY 103 -8.760 -7.788 -9.057 825 H LEU 104 H LEU 104 -9.774 -6.162 -6.694 826 HA LEU 104 HA LEU 104 -9.447 -8.256 -4.764 827 1HB LEU 104 1HB LEU 104 -8.312 -6.094 -4.578 828 2HB LEU 104 2HB LEU 104 -9.858 -5.279 -4.454 829 HG LEU 104 HG LEU 104 -8.600 -5.628 -2.295 830 1HD1 LEU 104 1HD1 LEU 104 -10.606 -5.172 -1.470 831 2HD1 LEU 104 2HD1 LEU 104 -11.398 -5.927 -2.874 832 3HD1 LEU 104 3HD1 LEU 104 -10.969 -6.915 -1.457 833 1HD2 LEU 104 1HD2 LEU 104 -9.460 -8.512 -2.658 834 2HD2 LEU 104 2HD2 LEU 104 -7.790 -7.902 -2.751 835 3HD2 LEU 104 3HD2 LEU 104 -8.688 -7.806 -1.217 836 H LEU 105 H LEU 105 -12.029 -5.898 -5.703 837 HA LEU 105 HA LEU 105 -13.864 -6.793 -3.782 838 1HB LEU 105 1HB LEU 105 -13.876 -5.075 -6.189 839 2HB LEU 105 2HB LEU 105 -15.422 -5.771 -5.745 840 HG LEU 105 HG LEU 105 -13.704 -4.248 -3.776 841 1HD1 LEU 105 1HD1 LEU 105 -16.016 -3.043 -5.296 842 2HD1 LEU 105 2HD1 LEU 105 -14.794 -2.233 -4.286 843 3HD1 LEU 105 3HD1 LEU 105 -14.335 -2.916 -5.864 844 1HD2 LEU 105 1HD2 LEU 105 -16.312 -5.589 -3.688 845 2HD2 LEU 105 2HD2 LEU 105 -15.213 -5.115 -2.372 846 3HD2 LEU 105 3HD2 LEU 105 -16.336 -3.922 -3.066 847 H GLN 106 H GLN 106 -12.764 -8.096 -6.855 848 HA GLN 106 HA GLN 106 -14.911 -9.486 -7.704 849 1HB GLN 106 1HB GLN 106 -12.109 -9.492 -8.170 850 2HB GLN 106 2HB GLN 106 -12.530 -11.163 -7.855 851 1HG GLN 106 1HG GLN 106 -14.475 -9.789 -9.620 852 2HG GLN 106 2HG GLN 106 -12.856 -9.839 -10.290 853 1HE2 GLN 106 1HE2 GLN 106 -14.102 -11.182 -11.857 854 2HE2 GLN 106 2HE2 GLN 106 -14.182 -12.892 -11.594 855 H THR 107 H THR 107 -12.398 -10.689 -5.359 856 HA THR 107 HA THR 107 -14.291 -12.781 -4.557 857 HB THR 107 HB THR 107 -11.725 -13.047 -5.312 858 HG1 THR 107 1HG THR 107 -12.803 -14.218 -2.851 859 1HG2 THR 107 1HG2 THR 107 -10.899 -11.495 -3.453 860 2HG2 THR 107 2HG2 THR 107 -11.547 -12.667 -2.280 861 3HG2 THR 107 3HG2 THR 107 -10.228 -13.142 -3.376 862 H GLU 108 H GLU 108 -13.884 -9.656 -3.807 863 HA GLU 108 HA GLU 108 -14.510 -10.218 -1.028 864 1HB GLU 108 1HB GLU 108 -12.661 -7.977 -1.958 865 2HB GLU 108 2HB GLU 108 -13.181 -8.245 -0.307 866 1HG GLU 108 1HG GLU 108 -11.768 -10.435 -1.875 867 2HG GLU 108 2HG GLU 108 -10.855 -9.191 -1.043 868 HA PRO 109 HA PRO 109 -17.498 -7.455 -3.092 869 1HB PRO 109 1HB PRO 109 -19.734 -9.000 -2.803 870 2HB PRO 109 2HB PRO 109 -18.756 -8.992 -4.257 871 1HG PRO 109 1HG PRO 109 -18.905 -11.043 -2.133 872 2HG PRO 109 2HG PRO 109 -18.282 -11.195 -3.764 873 1HD PRO 109 1HD PRO 109 -16.744 -10.952 -1.355 874 2HD PRO 109 2HD PRO 109 -16.126 -10.987 -2.994 875 H GLN 110 H GLN 110 -17.783 -9.342 -0.166 876 HA GLN 110 HA GLN 110 -19.661 -7.649 1.004 877 1HB GLN 110 1HB GLN 110 -19.133 -8.829 3.078 878 2HB GLN 110 2HB GLN 110 -19.187 -9.977 1.757 879 1HG GLN 110 1HG GLN 110 -16.621 -9.650 1.562 880 2HG GLN 110 2HG GLN 110 -16.712 -8.817 3.101 881 1HE2 GLN 110 1HE2 GLN 110 -16.891 -11.829 1.431 882 2HE2 GLN 110 2HE2 GLN 110 -16.982 -12.888 2.799 883 H ASN 111 H ASN 111 -16.293 -7.260 0.313 884 HA ASN 111 HA ASN 111 -15.538 -5.725 2.493 885 1HB ASN 111 1HB ASN 111 -13.957 -6.698 0.797 886 2HB ASN 111 2HB ASN 111 -14.574 -5.593 -0.415 887 1HD2 ASN 111 1HD2 ASN 111 -11.887 -5.929 0.692 888 2HD2 ASN 111 2HD2 ASN 111 -11.392 -4.391 1.316 889 H ASN 112 H ASN 112 -16.607 -3.825 3.082 890 HA ASN 112 HA ASN 112 -18.113 -2.375 1.211 891 1HB ASN 112 1HB ASN 112 -17.146 -1.402 3.945 892 2HB ASN 112 2HB ASN 112 -18.570 -0.859 3.083 893 1HD2 ASN 112 1HD2 ASN 112 -20.445 -1.882 3.321 894 2HD2 ASN 112 2HD2 ASN 112 -20.706 -3.333 4.230 895 H GLN 113 H GLN 113 -15.115 -1.644 3.161 896 HA GLN 113 HA GLN 113 -14.497 0.785 2.341 897 1HB GLN 113 1HB GLN 113 -12.526 -1.539 2.505 898 2HB GLN 113 2HB GLN 113 -12.092 0.156 2.589 899 1HG GLN 113 1HG GLN 113 -12.389 0.002 4.836 900 2HG GLN 113 2HG GLN 113 -14.111 -0.054 4.515 901 1HE2 GLN 113 1HE2 GLN 113 -14.694 -1.401 6.121 902 2HE2 GLN 113 2HE2 GLN 113 -14.237 -3.068 6.241 903 H ALA 114 H ALA 114 -13.733 -2.234 0.475 904 HA ALA 114 HA ALA 114 -12.501 -0.948 -1.668 905 1HB ALA 114 1HB ALA 114 -12.673 -3.470 -0.946 906 2HB ALA 114 2HB ALA 114 -14.126 -3.473 -1.976 907 3HB ALA 114 3HB ALA 114 -12.541 -3.057 -2.672 908 H LYS 115 H LYS 115 -15.930 -2.075 -1.239 909 HA LYS 115 HA LYS 115 -16.974 -1.357 -3.611 910 1HB LYS 115 1HB LYS 115 -17.990 -1.540 -0.835 911 2HB LYS 115 2HB LYS 115 -18.978 -0.591 -1.927 912 1HG LYS 115 1HG LYS 115 -18.622 -2.634 -3.589 913 2HG LYS 115 2HG LYS 115 -18.208 -3.515 -2.132 914 1HD LYS 115 1HD LYS 115 -20.385 -3.659 -1.494 915 2HD LYS 115 2HD LYS 115 -20.628 -1.936 -1.694 916 1HE LYS 115 1HE LYS 115 -20.850 -2.316 -4.199 917 2HE LYS 115 2HE LYS 115 -20.755 -4.041 -3.905 918 1HZ LYS 115 1HZ LYS 115 -23.026 -2.938 -3.997 919 2HZ LYS 115 2HZ LYS 115 -22.757 -4.023 -2.807 920 3HZ LYS 115 3HZ LYS 115 -22.720 -2.423 -2.478 921 H GLU 116 H GLU 116 -16.646 0.867 -0.753 922 HA GLU 116 HA GLU 116 -17.607 3.099 -1.924 923 1HB GLU 116 1HB GLU 116 -15.698 2.504 0.279 924 2HB GLU 116 2HB GLU 116 -15.569 4.124 -0.374 925 1HG GLU 116 1HG GLU 116 -18.287 3.945 -0.187 926 2HG GLU 116 2HG GLU 116 -17.845 2.843 1.102 927 H LEU 117 H LEU 117 -14.095 2.141 -1.794 928 HA LEU 117 HA LEU 117 -13.011 4.125 -3.247 929 1HB LEU 117 1HB LEU 117 -12.380 1.350 -2.646 930 2HB LEU 117 2HB LEU 117 -11.730 1.846 -4.196 931 HG LEU 117 HG LEU 117 -11.116 2.924 -1.455 932 1HD1 LEU 117 1HD1 LEU 117 -9.674 1.489 -3.615 933 2HD1 LEU 117 2HD1 LEU 117 -8.757 2.734 -2.733 934 3HD1 LEU 117 3HD1 LEU 117 -9.507 1.385 -1.845 935 1HD2 LEU 117 1HD2 LEU 117 -11.178 5.009 -2.281 936 2HD2 LEU 117 2HD2 LEU 117 -9.654 4.556 -3.081 937 3HD2 LEU 117 3HD2 LEU 117 -11.191 4.453 -3.972 938 H GLU 118 H GLU 118 -14.219 1.026 -4.724 939 HA GLU 118 HA GLU 118 -13.905 1.496 -7.273 940 1HB GLU 118 1HB GLU 118 -15.194 -0.409 -6.116 941 2HB GLU 118 2HB GLU 118 -16.622 0.601 -6.228 942 1HG GLU 118 1HG GLU 118 -14.971 0.144 -8.721 943 2HG GLU 118 2HG GLU 118 -16.020 -1.143 -8.161 944 H ARG 119 H ARG 119 -16.797 2.760 -5.456 945 HA ARG 119 HA ARG 119 -17.749 4.212 -7.611 946 1HB ARG 119 1HB ARG 119 -18.267 4.051 -4.675 947 2HB ARG 119 2HB ARG 119 -18.712 5.584 -5.402 948 1HG ARG 119 1HG ARG 119 -19.548 3.220 -6.997 949 2HG ARG 119 2HG ARG 119 -20.287 3.294 -5.410 950 1HD ARG 119 1HD ARG 119 -20.225 5.762 -7.184 951 2HD ARG 119 2HD ARG 119 -21.454 4.535 -7.419 952 HE ARG 119 HE ARG 119 -21.282 5.249 -4.624 953 1HH1 ARG 119 1HH1 ARG 119 -22.490 6.418 -7.716 954 2HH1 ARG 119 2HH1 ARG 119 -23.740 7.385 -7.006 955 1HH2 ARG 119 1HH2 ARG 119 -22.931 6.526 -3.687 956 2HH2 ARG 119 2HH2 ARG 119 -23.992 7.448 -4.700 957 H LEU 120 H LEU 120 -15.678 5.111 -4.776 958 HA LEU 120 HA LEU 120 -15.527 7.814 -5.170 959 1HB LEU 120 1HB LEU 120 -13.420 5.884 -4.194 960 2HB LEU 120 2HB LEU 120 -13.305 7.627 -4.055 961 HG LEU 120 HG LEU 120 -15.517 5.963 -2.821 962 1HD1 LEU 120 1HD1 LEU 120 -12.781 6.570 -1.899 963 2HD1 LEU 120 2HD1 LEU 120 -14.070 6.890 -0.715 964 3HD1 LEU 120 3HD1 LEU 120 -13.899 5.268 -1.426 965 1HD2 LEU 120 1HD2 LEU 120 -15.767 8.088 -1.418 966 2HD2 LEU 120 2HD2 LEU 120 -14.796 8.888 -2.676 967 3HD2 LEU 120 3HD2 LEU 120 -16.352 8.136 -3.099 968 H ILE 121 H ILE 121 -13.216 5.323 -6.472 969 HA ILE 121 HA ILE 121 -11.831 7.129 -8.074 970 HB ILE 121 HB ILE 121 -12.215 4.146 -8.341 971 1HG1 ILE 121 1HG1 ILE 121 -9.642 5.041 -7.353 972 2HG1 ILE 121 2HG1 ILE 121 -10.933 5.659 -6.340 973 1HG2 ILE 121 1HG2 ILE 121 -9.760 4.708 -9.405 974 2HG2 ILE 121 2HG2 ILE 121 -11.248 4.431 -10.342 975 3HG2 ILE 121 3HG2 ILE 121 -10.727 6.092 -9.969 976 1HD1 ILE 121 1HD1 ILE 121 -11.904 3.292 -6.288 977 2HD1 ILE 121 2HD1 ILE 121 -10.408 2.751 -7.085 978 3HD1 ILE 121 3HD1 ILE 121 -10.337 3.488 -5.468 979 H ASP 122 H ASP 122 -14.816 5.224 -8.613 980 HA ASP 122 HA ASP 122 -15.056 5.383 -11.277 981 1HB ASP 122 1HB ASP 122 -16.690 4.619 -9.252 982 2HB ASP 122 2HB ASP 122 -17.474 6.135 -9.649 983 H LYS 123 H LYS 123 -16.248 7.822 -8.837 984 HA LYS 123 HA LYS 123 -16.906 9.718 -10.855 985 1HB LYS 123 1HB LYS 123 -17.546 9.300 -8.168 986 2HB LYS 123 2HB LYS 123 -16.612 10.783 -8.155 987 1HG LYS 123 1HG LYS 123 -18.156 11.360 -10.285 988 2HG LYS 123 2HG LYS 123 -19.231 10.198 -9.533 989 1HD LYS 123 1HD LYS 123 -18.238 11.946 -7.461 990 2HD LYS 123 2HD LYS 123 -18.775 12.949 -8.793 991 1HE LYS 123 1HE LYS 123 -20.928 11.465 -8.801 992 2HE LYS 123 2HE LYS 123 -20.391 10.895 -7.234 993 1HZ LYS 123 1HZ LYS 123 -20.846 13.711 -7.942 994 2HZ LYS 123 2HZ LYS 123 -21.841 12.784 -7.036 995 3HZ LYS 123 3HZ LYS 123 -20.356 13.174 -6.480 996 H ALA 124 H ALA 124 -14.052 8.897 -8.930 997 HA ALA 124 HA ALA 124 -12.716 11.342 -9.142 998 1HB ALA 124 1HB ALA 124 -11.294 8.682 -9.168 999 2HB ALA 124 2HB ALA 124 -10.897 10.168 -8.272 1000 3HB ALA 124 3HB ALA 124 -12.261 9.152 -7.749 1001 H MET 125 H MET 125 -10.227 10.665 -10.371 1002 HA MET 125 HA MET 125 -9.202 10.515 -12.295 1003 1HB MET 125 1HB MET 125 -11.837 9.653 -13.601 1004 2HB MET 125 2HB MET 125 -10.221 9.354 -14.212 1005 1HG MET 125 1HG MET 125 -10.199 8.263 -11.597 1006 2HG MET 125 2HG MET 125 -11.769 7.824 -12.239 1007 1HE MET 125 1HE MET 125 -11.300 5.678 -11.910 1008 2HE MET 125 2HE MET 125 -11.514 5.022 -13.550 1009 3HE MET 125 3HE MET 125 -10.038 4.649 -12.629 1010 H LYS 126 H LYS 126 -12.570 11.801 -12.573 1011 HA LYS 126 HA LYS 126 -11.621 13.789 -14.475 1012 1HB LYS 126 1HB LYS 126 -13.610 13.255 -15.352 1013 2HB LYS 126 2HB LYS 126 -14.161 12.478 -13.882 1014 1HG LYS 126 1HG LYS 126 -15.091 14.445 -13.015 1015 2HG LYS 126 2HG LYS 126 -13.971 15.485 -13.871 1016 1HD LYS 126 1HD LYS 126 -15.504 14.035 -15.842 1017 2HD LYS 126 2HD LYS 126 -16.628 14.681 -14.663 1018 1HE LYS 126 1HE LYS 126 -14.873 16.823 -15.063 1019 2HE LYS 126 2HE LYS 126 -14.973 16.109 -16.661 1020 1HZ LYS 126 1HZ LYS 126 -16.836 17.700 -15.451 1021 2HZ LYS 126 2HZ LYS 126 -16.995 16.914 -16.873 1022 3HZ LYS 126 3HZ LYS 126 -17.519 16.217 -15.492 1023 H LYS 127 H LYS 127 -12.706 13.384 -11.105 1024 HA LYS 127 HA LYS 127 -12.592 16.271 -10.729 1025 1HB LYS 127 1HB LYS 127 -13.808 15.955 -8.765 1026 2HB LYS 127 2HB LYS 127 -14.495 14.781 -9.870 1027 1HG LYS 127 1HG LYS 127 -12.478 13.277 -8.765 1028 2HG LYS 127 2HG LYS 127 -12.841 14.340 -7.419 1029 1HD LYS 127 1HD LYS 127 -15.256 13.246 -8.763 1030 2HD LYS 127 2HD LYS 127 -14.234 12.019 -8.041 1031 1HE LYS 127 1HE LYS 127 -15.402 12.532 -6.130 1032 2HE LYS 127 2HE LYS 127 -14.242 13.840 -6.003 1033 1HZ LYS 127 1HZ LYS 127 -17.016 13.940 -6.743 1034 2HZ LYS 127 2HZ LYS 127 -16.103 15.050 -5.968 1035 3HZ LYS 127 3HZ LYS 127 -16.036 14.931 -7.595 1036 H SER 128 H SER 128 -10.135 15.482 -11.461 1037 HA SER 128 HA SER 128 -8.724 15.707 -8.955 1038 1HB SER 128 1HB SER 128 -7.012 13.990 -9.855 1039 2HB SER 128 2HB SER 128 -8.510 13.362 -9.197 1040 HG SER 128 HG SER 128 -7.513 12.889 -11.617 1041 H GLY 129 H GLY 129 -8.568 15.521 -12.571 1042 1HA GLY 129 1HA GLY 129 -7.689 17.972 -13.173 1043 2HA GLY 129 2HA GLY 129 -6.204 17.205 -12.646 1044 HA PRO 130 HA PRO 130 -7.416 15.922 -16.987 1045 1HB PRO 130 1HB PRO 130 -6.425 17.911 -18.577 1046 2HB PRO 130 2HB PRO 130 -8.114 17.797 -18.128 1047 1HG PRO 130 1HG PRO 130 -6.046 19.647 -17.110 1048 2HG PRO 130 2HG PRO 130 -7.789 19.784 -17.003 1049 1HD PRO 130 1HD PRO 130 -5.997 18.999 -14.906 1050 2HD PRO 130 2HD PRO 130 -7.748 19.023 -14.834 1051 H SER 131 H SER 131 -4.521 17.904 -16.524 1052 HA SER 131 HA SER 131 -2.830 16.610 -18.088 1053 1HB SER 131 1HB SER 131 -2.616 18.112 -15.572 1054 2HB SER 131 2HB SER 131 -1.316 16.949 -15.737 1055 HG SER 131 HG SER 131 -0.444 18.100 -17.332 1056 H SER 132 H SER 132 -1.085 14.928 -17.615 1057 HA SER 132 HA SER 132 -1.500 13.147 -15.485 1058 1HB SER 132 1HB SER 132 -3.265 12.699 -17.573 1059 2HB SER 132 2HB SER 132 -1.941 11.635 -18.003 1060 HG SER 132 HG SER 132 -2.304 11.276 -15.376 1061 H GLY 133 H GLY 133 0.655 12.837 -15.043 1062 1HA GLY 133 1HA GLY 133 2.597 12.835 -17.198 1063 2HA GLY 133 2HA GLY 133 2.904 12.782 -15.473 Start of MODEL 3 1 H GLY 1 H GLY 1 -26.232 -3.147 5.883 2 1HA GLY 1 1HA GLY 1 -28.067 -1.458 4.464 3 2HA GLY 1 2HA GLY 1 -27.071 -1.042 5.845 4 H SER 2 H SER 2 -27.051 0.992 4.258 5 HA SER 2 HA SER 2 -24.454 0.919 3.076 6 1HB SER 2 1HB SER 2 -26.947 1.411 1.401 7 2HB SER 2 2HB SER 2 -25.363 1.977 0.906 8 HG SER 2 HG SER 2 -25.949 -0.787 1.546 9 H SER 3 H SER 3 -24.254 2.376 4.992 10 HA SER 3 HA SER 3 -24.526 5.047 4.201 11 1HB SER 3 1HB SER 3 -26.899 4.233 5.144 12 2HB SER 3 2HB SER 3 -26.134 4.514 6.695 13 HG SER 3 HG SER 3 -25.812 6.567 4.767 14 H GLY 4 H GLY 4 -23.498 6.525 5.825 15 1HA GLY 4 1HA GLY 4 -22.580 6.323 8.219 16 2HA GLY 4 2HA GLY 4 -21.635 5.016 7.535 17 H SER 5 H SER 5 -20.771 7.669 8.674 18 HA SER 5 HA SER 5 -19.826 9.048 6.333 19 1HB SER 5 1HB SER 5 -20.249 9.677 9.158 20 2HB SER 5 2HB SER 5 -18.648 10.179 8.650 21 HG SER 5 HG SER 5 -19.870 11.915 8.079 22 H SER 6 H SER 6 -18.420 7.538 9.337 23 HA SER 6 HA SER 6 -15.819 7.608 8.197 24 1HB SER 6 1HB SER 6 -15.074 6.717 10.286 25 2HB SER 6 2HB SER 6 -16.386 7.809 10.680 26 HG SER 6 HG SER 6 -16.952 6.023 11.820 27 H GLY 7 H GLY 7 -14.542 5.768 7.528 28 1HA GLY 7 1HA GLY 7 -15.030 3.134 7.660 29 2HA GLY 7 2HA GLY 7 -16.132 3.627 6.389 30 H MET 8 H MET 8 -15.213 4.868 4.498 31 HA MET 8 HA MET 8 -12.463 3.993 4.060 32 1HB MET 8 1HB MET 8 -14.036 2.875 2.541 33 2HB MET 8 2HB MET 8 -14.839 4.388 2.167 34 1HG MET 8 1HG MET 8 -13.372 3.838 0.300 35 2HG MET 8 2HG MET 8 -12.696 5.229 1.123 36 1HE MET 8 1HE MET 8 -10.047 5.198 1.854 37 2HE MET 8 2HE MET 8 -9.259 4.024 0.774 38 3HE MET 8 3HE MET 8 -10.576 5.051 0.161 39 H GLU 9 H GLU 9 -14.867 6.632 3.607 40 HA GLU 9 HA GLU 9 -13.222 8.356 2.224 41 1HB GLU 9 1HB GLU 9 -15.829 8.385 3.176 42 2HB GLU 9 2HB GLU 9 -15.081 9.640 4.144 43 1HG GLU 9 1HG GLU 9 -14.213 10.728 2.061 44 2HG GLU 9 2HG GLU 9 -14.965 9.475 1.094 45 H ALA 10 H ALA 10 -12.967 7.183 5.446 46 HA ALA 10 HA ALA 10 -11.610 9.556 6.424 47 1HB ALA 10 1HB ALA 10 -13.236 8.160 7.795 48 2HB ALA 10 2HB ALA 10 -12.011 6.869 7.787 49 3HB ALA 10 3HB ALA 10 -11.647 8.436 8.548 50 H VAL 11 H VAL 11 -10.944 6.075 5.667 51 HA VAL 11 HA VAL 11 -8.283 6.041 6.344 52 HB VAL 11 HB VAL 11 -9.930 4.594 4.286 53 1HG1 VAL 11 1HG1 VAL 11 -7.923 2.976 4.205 54 2HG1 VAL 11 2HG1 VAL 11 -7.826 4.475 3.250 55 3HG1 VAL 11 3HG1 VAL 11 -6.963 4.352 4.802 56 1HG2 VAL 11 1HG2 VAL 11 -9.730 4.345 7.028 57 2HG2 VAL 11 2HG2 VAL 11 -10.314 3.090 5.910 58 3HG2 VAL 11 3HG2 VAL 11 -8.615 3.089 6.438 59 H LEU 12 H LEU 12 -9.813 6.930 3.178 60 HA LEU 12 HA LEU 12 -7.374 7.518 1.922 61 1HB LEU 12 1HB LEU 12 -9.964 7.217 1.153 62 2HB LEU 12 2HB LEU 12 -9.793 8.958 1.041 63 HG LEU 12 HG LEU 12 -8.008 8.776 -0.548 64 1HD1 LEU 12 1HD1 LEU 12 -7.794 6.041 0.498 65 2HD1 LEU 12 2HD1 LEU 12 -7.664 6.153 -1.274 66 3HD1 LEU 12 3HD1 LEU 12 -6.564 7.095 -0.240 67 1HD2 LEU 12 1HD2 LEU 12 -9.779 8.689 -1.923 68 2HD2 LEU 12 2HD2 LEU 12 -9.273 7.002 -2.183 69 3HD2 LEU 12 3HD2 LEU 12 -10.559 7.375 -1.011 70 H ASN 13 H ASN 13 -9.756 9.520 3.752 71 HA ASN 13 HA ASN 13 -8.638 11.953 3.242 72 1HB ASN 13 1HB ASN 13 -10.400 10.759 5.309 73 2HB ASN 13 2HB ASN 13 -9.477 12.114 5.924 74 1HD2 ASN 13 1HD2 ASN 13 -10.988 11.288 2.801 75 2HD2 ASN 13 2HD2 ASN 13 -11.905 12.745 2.610 76 H GLU 14 H GLU 14 -8.380 10.373 6.505 77 HA GLU 14 HA GLU 14 -6.176 11.734 7.305 78 1HB GLU 14 1HB GLU 14 -7.820 9.723 8.341 79 2HB GLU 14 2HB GLU 14 -6.240 8.966 8.324 80 1HG GLU 14 1HG GLU 14 -5.575 11.440 9.317 81 2HG GLU 14 2HG GLU 14 -7.213 11.298 9.924 82 H LEU 15 H LEU 15 -3.896 11.300 7.371 83 HA LEU 15 HA LEU 15 -3.057 9.392 5.304 84 1HB LEU 15 1HB LEU 15 -1.290 11.596 6.247 85 2HB LEU 15 2HB LEU 15 -1.373 10.808 4.685 86 HG LEU 15 HG LEU 15 -3.809 12.310 5.342 87 1HD1 LEU 15 1HD1 LEU 15 -2.146 14.406 4.578 88 2HD1 LEU 15 2HD1 LEU 15 -2.883 14.151 6.179 89 3HD1 LEU 15 3HD1 LEU 15 -1.235 13.561 5.853 90 1HD2 LEU 15 1HD2 LEU 15 -2.782 13.317 3.005 91 2HD2 LEU 15 2HD2 LEU 15 -2.114 11.668 3.033 92 3HD2 LEU 15 3HD2 LEU 15 -3.873 11.918 3.141 93 H VAL 16 H VAL 16 -0.211 9.875 6.366 94 HA VAL 16 HA VAL 16 -0.467 8.067 8.670 95 HB VAL 16 HB VAL 16 0.606 7.452 6.284 96 1HG1 VAL 16 1HG1 VAL 16 2.329 9.329 6.706 97 2HG1 VAL 16 2HG1 VAL 16 3.064 8.201 7.870 98 3HG1 VAL 16 3HG1 VAL 16 2.929 7.746 6.154 99 1HG2 VAL 16 1HG2 VAL 16 2.117 5.833 7.695 100 2HG2 VAL 16 2HG2 VAL 16 1.247 6.541 9.076 101 3HG2 VAL 16 3HG2 VAL 16 0.344 5.711 7.787 102 H SER 17 H SER 17 0.891 8.438 10.483 103 HA SER 17 HA SER 17 1.752 11.184 10.621 104 1HB SER 17 1HB SER 17 1.856 9.170 12.890 105 2HB SER 17 2HB SER 17 1.727 10.914 12.996 106 HG SER 17 HG SER 17 -0.425 10.643 11.888 107 H VAL 18 H VAL 18 3.903 11.822 10.663 108 HA VAL 18 HA VAL 18 5.889 10.169 9.767 109 HB VAL 18 HB VAL 18 5.796 12.688 9.891 110 1HG1 VAL 18 1HG1 VAL 18 6.708 13.798 11.852 111 2HG1 VAL 18 2HG1 VAL 18 5.277 12.845 12.310 112 3HG1 VAL 18 3HG1 VAL 18 6.908 12.235 12.680 113 1HG2 VAL 18 1HG2 VAL 18 8.357 11.322 10.787 114 2HG2 VAL 18 2HG2 VAL 18 7.781 11.484 9.111 115 3HG2 VAL 18 3HG2 VAL 18 8.243 12.932 10.039 116 H GLU 19 H GLU 19 5.175 11.131 13.194 117 HA GLU 19 HA GLU 19 7.140 9.922 14.483 118 1HB GLU 19 1HB GLU 19 4.822 11.049 15.259 119 2HB GLU 19 2HB GLU 19 4.376 9.378 15.539 120 1HG GLU 19 1HG GLU 19 6.969 9.559 16.621 121 2HG GLU 19 2HG GLU 19 6.236 11.092 17.050 122 H ASP 20 H ASP 20 4.282 8.288 13.023 123 HA ASP 20 HA ASP 20 5.067 5.760 14.038 124 1HB ASP 20 1HB ASP 20 2.924 6.859 12.251 125 2HB ASP 20 2HB ASP 20 3.329 5.171 12.006 126 H LEU 21 H LEU 21 4.923 7.379 10.775 127 HA LEU 21 HA LEU 21 5.860 5.478 9.147 128 1HB LEU 21 1HB LEU 21 5.243 7.877 8.651 129 2HB LEU 21 2HB LEU 21 6.879 8.317 9.100 130 HG LEU 21 HG LEU 21 6.437 8.080 6.634 131 1HD1 LEU 21 1HD1 LEU 21 8.703 8.029 7.641 132 2HD1 LEU 21 2HD1 LEU 21 8.595 6.254 7.723 133 3HD1 LEU 21 3HD1 LEU 21 8.573 7.074 6.145 134 1HD2 LEU 21 1HD2 LEU 21 6.424 5.107 7.210 135 2HD2 LEU 21 2HD2 LEU 21 4.977 6.071 6.826 136 3HD2 LEU 21 3HD2 LEU 21 6.283 5.906 5.626 137 H LYS 22 H LYS 22 7.826 7.440 11.447 138 HA LYS 22 HA LYS 22 10.289 6.351 10.619 139 1HB LYS 22 1HB LYS 22 9.357 7.849 13.069 140 2HB LYS 22 2HB LYS 22 10.996 7.247 12.935 141 1HG LYS 22 1HG LYS 22 10.071 8.663 10.500 142 2HG LYS 22 2HG LYS 22 10.078 9.679 11.927 143 1HD LYS 22 1HD LYS 22 12.436 9.199 12.351 144 2HD LYS 22 2HD LYS 22 12.464 7.961 11.112 145 1HE LYS 22 1HE LYS 22 11.502 10.305 9.811 146 2HE LYS 22 2HE LYS 22 12.820 10.848 10.829 147 1HZ LYS 22 1HZ LYS 22 13.079 9.639 8.440 148 2HZ LYS 22 2HZ LYS 22 14.272 9.820 9.540 149 3HZ LYS 22 3HZ LYS 22 13.423 8.427 9.479 150 H ASN 23 H ASN 23 8.150 5.640 13.471 151 HA ASN 23 HA ASN 23 9.522 3.738 14.669 152 1HB ASN 23 1HB ASN 23 6.895 4.571 14.740 153 2HB ASN 23 2HB ASN 23 6.680 2.951 14.107 154 1HD2 ASN 23 1HD2 ASN 23 5.526 3.073 16.317 155 2HD2 ASN 23 2HD2 ASN 23 6.409 2.464 17.676 156 H PHE 24 H PHE 24 7.457 3.335 11.708 157 HA PHE 24 HA PHE 24 8.019 0.561 11.466 158 1HB PHE 24 1HB PHE 24 6.853 2.802 9.730 159 2HB PHE 24 2HB PHE 24 7.036 1.186 9.077 160 HD1 PHE 24 1HD PHE 24 5.116 3.314 11.299 161 HD2 PHE 24 2HD PHE 24 5.720 -0.686 10.017 162 HE1 PHE 24 1HE PHE 24 2.904 2.662 12.292 163 HE2 PHE 24 2HE PHE 24 3.508 -1.338 11.010 164 HZ PHE 24 HZ PHE 24 2.128 0.344 12.136 165 H GLU 25 H GLU 25 9.318 3.598 10.031 166 HA GLU 25 HA GLU 25 10.775 2.510 8.009 167 1HB GLU 25 1HB GLU 25 10.402 5.006 8.842 168 2HB GLU 25 2HB GLU 25 11.930 4.761 9.665 169 1HG GLU 25 1HG GLU 25 12.814 3.898 7.356 170 2HG GLU 25 2HG GLU 25 11.372 4.629 6.679 171 H ARG 26 H ARG 26 11.868 3.163 11.418 172 HA ARG 26 HA ARG 26 14.391 2.258 11.192 173 1HB ARG 26 1HB ARG 26 12.562 1.706 13.581 174 2HB ARG 26 2HB ARG 26 14.307 1.850 13.626 175 1HG ARG 26 1HG ARG 26 13.979 4.241 12.666 176 2HG ARG 26 2HG ARG 26 12.279 4.046 13.041 177 1HD ARG 26 1HD ARG 26 12.618 4.303 15.294 178 2HD ARG 26 2HD ARG 26 14.041 3.281 15.295 179 HE ARG 26 HE ARG 26 14.693 5.727 13.960 180 1HH1 ARG 26 1HH1 ARG 26 13.933 4.537 17.183 181 2HH1 ARG 26 2HH1 ARG 26 14.840 5.772 17.991 182 1HH2 ARG 26 1HH2 ARG 26 15.891 7.355 15.026 183 2HH2 ARG 26 2HH2 ARG 26 15.962 7.384 16.756 184 H LYS 27 H LYS 27 11.520 0.295 12.294 185 HA LYS 27 HA LYS 27 12.690 -2.120 12.576 186 1HB LYS 27 1HB LYS 27 10.105 -1.131 12.511 187 2HB LYS 27 2HB LYS 27 10.107 -2.282 11.190 188 1HG LYS 27 1HG LYS 27 10.238 -4.072 12.599 189 2HG LYS 27 2HG LYS 27 11.516 -3.340 13.549 190 1HD LYS 27 1HD LYS 27 9.040 -1.892 14.020 191 2HD LYS 27 2HD LYS 27 8.746 -3.605 14.238 192 1HE LYS 27 1HE LYS 27 11.184 -2.296 15.494 193 2HE LYS 27 2HE LYS 27 9.620 -2.192 16.280 194 1HZ LYS 27 1HZ LYS 27 11.374 -4.326 16.280 195 2HZ LYS 27 2HZ LYS 27 9.912 -4.234 17.002 196 3HZ LYS 27 3HZ LYS 27 10.037 -4.822 15.485 197 H PHE 28 H PHE 28 11.475 -0.679 9.480 198 HA PHE 28 HA PHE 28 12.191 -2.865 7.899 199 1HB PHE 28 1HB PHE 28 10.675 -0.797 7.437 200 2HB PHE 28 2HB PHE 28 12.143 0.129 7.202 201 HD1 PHE 28 1HD PHE 28 13.394 -0.033 5.174 202 HD2 PHE 28 2HD PHE 28 10.094 -2.615 5.844 203 HE1 PHE 28 1HE PHE 28 13.441 -0.720 2.761 204 HE2 PHE 28 2HE PHE 28 10.142 -3.303 3.432 205 HZ PHE 28 HZ PHE 28 11.816 -2.347 1.918 206 H GLN 29 H GLN 29 13.851 0.357 8.265 207 HA GLN 29 HA GLN 29 15.997 -0.105 6.752 208 1HB GLN 29 1HB GLN 29 15.814 1.339 9.426 209 2HB GLN 29 2HB GLN 29 17.249 1.404 8.421 210 1HG GLN 29 1HG GLN 29 15.710 2.185 6.498 211 2HG GLN 29 2HG GLN 29 14.448 2.369 7.700 212 1HE2 GLN 29 1HE2 GLN 29 14.263 4.245 8.651 213 2HE2 GLN 29 2HE2 GLN 29 15.474 5.475 8.793 214 H SER 30 H SER 30 15.903 -0.781 10.333 215 HA SER 30 HA SER 30 18.312 -1.941 10.567 216 1HB SER 30 1HB SER 30 16.240 -1.541 12.247 217 2HB SER 30 2HB SER 30 16.020 -3.261 11.998 218 HG SER 30 HG SER 30 18.685 -2.516 12.494 219 H GLU 31 H GLU 31 15.245 -3.889 10.271 220 HA GLU 31 HA GLU 31 16.369 -6.280 9.830 221 1HB GLU 31 1HB GLU 31 13.851 -5.145 8.535 222 2HB GLU 31 2HB GLU 31 14.255 -6.850 8.568 223 1HG GLU 31 1HG GLU 31 13.928 -7.034 10.890 224 2HG GLU 31 2HG GLU 31 14.263 -5.338 11.181 225 H GLN 32 H GLN 32 16.315 -3.514 7.658 226 HA GLN 32 HA GLN 32 16.670 -4.914 5.273 227 1HB GLN 32 1HB GLN 32 16.152 -2.339 5.863 228 2HB GLN 32 2HB GLN 32 17.884 -2.186 5.645 229 1HG GLN 32 1HG GLN 32 17.736 -3.154 3.382 230 2HG GLN 32 2HG GLN 32 16.030 -3.489 3.597 231 1HE2 GLN 32 1HE2 GLN 32 17.868 -1.644 1.894 232 2HE2 GLN 32 2HE2 GLN 32 17.041 -0.123 1.880 233 H ALA 33 H ALA 33 19.094 -3.063 7.268 234 HA ALA 33 HA ALA 33 21.287 -4.165 5.863 235 1HB ALA 33 1HB ALA 33 22.090 -2.296 6.832 236 2HB ALA 33 2HB ALA 33 20.758 -2.251 8.012 237 3HB ALA 33 3HB ALA 33 22.203 -3.237 8.339 238 H ALA 34 H ALA 34 19.100 -5.488 8.120 239 HA ALA 34 HA ALA 34 20.944 -7.096 9.578 240 1HB ALA 34 1HB ALA 34 18.363 -6.305 9.932 241 2HB ALA 34 2HB ALA 34 18.106 -7.946 9.294 242 3HB ALA 34 3HB ALA 34 19.089 -7.704 10.759 243 H GLY 35 H GLY 35 19.296 -7.264 6.456 244 1HA GLY 35 1HA GLY 35 20.778 -9.020 5.165 245 2HA GLY 35 2HA GLY 35 19.861 -10.119 6.177 246 H SER 36 H SER 36 17.381 -8.546 6.274 247 HA SER 36 HA SER 36 16.505 -7.803 3.781 248 1HB SER 36 1HB SER 36 15.078 -9.787 3.177 249 2HB SER 36 2HB SER 36 16.798 -10.087 3.022 250 HG SER 36 HG SER 36 15.550 -10.710 5.515 251 H VAL 37 H VAL 37 14.541 -6.740 4.081 252 HA VAL 37 HA VAL 37 13.509 -6.644 6.721 253 HB VAL 37 HB VAL 37 12.660 -5.469 4.074 254 1HG1 VAL 37 1HG1 VAL 37 11.003 -5.832 6.321 255 2HG1 VAL 37 2HG1 VAL 37 11.512 -4.127 6.369 256 3HG1 VAL 37 3HG1 VAL 37 10.712 -4.777 4.918 257 1HG2 VAL 37 1HG2 VAL 37 14.598 -4.752 6.082 258 2HG2 VAL 37 2HG2 VAL 37 14.244 -3.967 4.525 259 3HG2 VAL 37 3HG2 VAL 37 13.342 -3.493 5.983 260 H SER 38 H SER 38 11.747 -7.653 7.627 261 HA SER 38 HA SER 38 10.831 -9.962 6.341 262 1HB SER 38 1HB SER 38 9.599 -8.567 8.755 263 2HB SER 38 2HB SER 38 9.425 -10.257 8.324 264 HG SER 38 HG SER 38 11.125 -9.528 10.018 265 H LYS 39 H LYS 39 8.559 -10.474 5.741 266 HA LYS 39 HA LYS 39 7.459 -8.659 4.009 267 1HB LYS 39 1HB LYS 39 6.067 -10.921 5.475 268 2HB LYS 39 2HB LYS 39 5.486 -10.132 4.022 269 1HG LYS 39 1HG LYS 39 7.679 -10.796 2.885 270 2HG LYS 39 2HG LYS 39 8.066 -11.736 4.312 271 1HD LYS 39 1HD LYS 39 5.590 -12.728 3.870 272 2HD LYS 39 2HD LYS 39 5.947 -12.226 2.229 273 1HE LYS 39 1HE LYS 39 6.708 -14.503 2.407 274 2HE LYS 39 2HE LYS 39 8.153 -13.512 2.407 275 1HZ LYS 39 1HZ LYS 39 8.507 -14.843 4.190 276 2HZ LYS 39 2HZ LYS 39 7.786 -13.590 4.951 277 3HZ LYS 39 3HZ LYS 39 6.934 -14.943 4.617 278 H SER 40 H SER 40 6.251 -9.486 7.340 279 HA SER 40 HA SER 40 4.222 -7.812 7.545 280 1HB SER 40 1HB SER 40 5.874 -9.209 9.338 281 2HB SER 40 2HB SER 40 5.938 -7.558 9.922 282 HG SER 40 HG SER 40 3.838 -7.613 10.472 283 H THR 41 H THR 41 7.540 -6.814 8.682 284 HA THR 41 HA THR 41 7.062 -4.159 9.024 285 HB THR 41 HB THR 41 9.600 -5.405 7.848 286 HG1 THR 41 1HG THR 41 9.762 -6.325 9.877 287 1HG2 THR 41 1HG2 THR 41 10.194 -3.164 8.158 288 2HG2 THR 41 2HG2 THR 41 8.916 -2.890 9.368 289 3HG2 THR 41 3HG2 THR 41 10.411 -3.742 9.828 290 H GLN 42 H GLN 42 7.979 -5.787 5.928 291 HA GLN 42 HA GLN 42 8.174 -3.505 4.437 292 1HB GLN 42 1HB GLN 42 8.785 -5.881 3.765 293 2HB GLN 42 2HB GLN 42 7.084 -6.183 3.469 294 1HG GLN 42 1HG GLN 42 6.994 -4.681 1.638 295 2HG GLN 42 2HG GLN 42 8.406 -3.788 2.168 296 1HE2 GLN 42 1HE2 GLN 42 7.735 -5.087 -0.391 297 2HE2 GLN 42 2HE2 GLN 42 9.034 -6.172 -0.761 298 H PHE 43 H PHE 43 5.306 -5.753 4.489 299 HA PHE 43 HA PHE 43 3.592 -4.117 3.122 300 1HB PHE 43 1HB PHE 43 2.916 -6.370 3.593 301 2HB PHE 43 2HB PHE 43 3.410 -6.263 5.270 302 HD1 PHE 43 1HD PHE 43 1.854 -5.725 6.949 303 HD2 PHE 43 2HD PHE 43 0.812 -5.135 2.878 304 HE1 PHE 43 1HE PHE 43 -0.524 -5.285 7.621 305 HE2 PHE 43 2HE PHE 43 -1.566 -4.697 3.550 306 HZ PHE 43 HZ PHE 43 -2.206 -4.778 5.914 307 H GLU 44 H GLU 44 4.553 -4.031 6.566 308 HA GLU 44 HA GLU 44 2.469 -2.345 7.365 309 1HB GLU 44 1HB GLU 44 5.116 -3.208 8.517 310 2HB GLU 44 2HB GLU 44 4.298 -1.846 9.257 311 1HG GLU 44 1HG GLU 44 2.176 -3.400 9.254 312 2HG GLU 44 2HG GLU 44 3.311 -4.707 8.980 313 H TYR 45 H TYR 45 5.989 -1.464 7.390 314 HA TYR 45 HA TYR 45 5.766 1.204 7.420 315 1HB TYR 45 1HB TYR 45 7.884 -0.129 7.419 316 2HB TYR 45 2HB TYR 45 7.584 -0.663 5.777 317 HD1 TYR 45 1HD TYR 45 8.908 0.323 4.159 318 HD2 TYR 45 2HD TYR 45 7.810 2.625 7.594 319 HE1 TYR 45 1HE TYR 45 10.255 2.292 3.280 320 HE2 TYR 45 2HE TYR 45 9.160 4.586 6.704 321 HH TYR 45 HH TYR 45 9.963 5.035 3.772 322 H ALA 46 H ALA 46 5.567 -0.882 4.468 323 HA ALA 46 HA ALA 46 5.444 1.174 2.613 324 1HB ALA 46 1HB ALA 46 4.713 -0.512 1.105 325 2HB ALA 46 2HB ALA 46 5.729 -1.363 2.294 326 3HB ALA 46 3HB ALA 46 3.955 -1.461 2.407 327 H TRP 47 H TRP 47 2.729 -0.664 4.190 328 HA TRP 47 HA TRP 47 0.662 0.762 3.075 329 1HB TRP 47 1HB TRP 47 0.214 -1.246 4.233 330 2HB TRP 47 2HB TRP 47 0.952 -0.663 5.712 331 HD1 TRP 47 HD TRP 47 -0.924 -0.206 7.460 332 HE1 TRP 47 1HE TRP 47 -3.368 0.787 7.539 333 HE3 TRP 47 3HE TRP 47 -1.295 0.666 2.465 334 HZ2 TRP 47 2HZ TRP 47 -5.141 1.804 5.548 335 HZ3 TRP 47 3HZ TRP 47 -3.416 1.661 1.614 336 HH2 TRP 47 HH TRP 47 -5.299 2.227 3.066 337 H CYS 48 H CYS 48 2.971 1.589 5.648 338 HA CYS 48 HA CYS 48 1.477 3.717 6.725 339 1HB CYS 48 1HB CYS 48 4.100 2.517 7.121 340 2HB CYS 48 2HB CYS 48 4.191 4.266 7.186 341 HG CYS 48 HG CYS 48 3.111 2.150 9.238 342 H LEU 49 H LEU 49 3.771 3.283 4.013 343 HA LEU 49 HA LEU 49 4.228 6.029 3.561 344 1HB LEU 49 1HB LEU 49 4.585 3.524 1.938 345 2HB LEU 49 2HB LEU 49 4.891 5.106 1.248 346 HG LEU 49 HG LEU 49 6.249 4.089 3.756 347 1HD1 LEU 49 1HD1 LEU 49 7.647 4.216 1.110 348 2HD1 LEU 49 2HD1 LEU 49 8.002 3.228 2.546 349 3HD1 LEU 49 3HD1 LEU 49 6.628 2.808 1.496 350 1HD2 LEU 49 1HD2 LEU 49 7.456 6.001 3.804 351 2HD2 LEU 49 2HD2 LEU 49 7.464 6.178 2.033 352 3HD2 LEU 49 3HD2 LEU 49 6.024 6.649 2.970 353 H VAL 50 H VAL 50 2.219 3.650 1.679 354 HA VAL 50 HA VAL 50 0.977 5.419 0.043 355 HB VAL 50 HB VAL 50 -0.934 3.756 0.108 356 1HG1 VAL 50 1HG1 VAL 50 1.003 3.635 -1.453 357 2HG1 VAL 50 2HG1 VAL 50 1.847 2.598 -0.278 358 3HG1 VAL 50 3HG1 VAL 50 0.337 2.037 -1.035 359 1HG2 VAL 50 1HG2 VAL 50 0.697 2.783 2.401 360 2HG2 VAL 50 2HG2 VAL 50 -1.057 2.694 2.117 361 3HG2 VAL 50 3HG2 VAL 50 0.034 1.547 1.305 362 H ARG 51 H ARG 51 0.572 4.996 3.519 363 HA ARG 51 HA ARG 51 -1.943 6.261 3.609 364 1HB ARG 51 1HB ARG 51 0.157 5.458 5.642 365 2HB ARG 51 2HB ARG 51 -1.138 6.524 6.149 366 1HG ARG 51 1HG ARG 51 -2.838 4.894 5.515 367 2HG ARG 51 2HG ARG 51 -1.653 3.881 4.717 368 1HD ARG 51 1HD ARG 51 -2.130 2.893 6.892 369 2HD ARG 51 2HD ARG 51 -0.501 3.536 6.944 370 HE ARG 51 HE ARG 51 -2.192 5.620 7.827 371 1HH1 ARG 51 1HH1 ARG 51 -1.321 2.372 8.864 372 2HH1 ARG 51 2HH1 ARG 51 -1.591 2.699 10.544 373 1HH2 ARG 51 1HH2 ARG 51 -2.547 6.051 10.042 374 2HH2 ARG 51 2HH2 ARG 51 -2.292 4.805 11.218 375 H SER 52 H SER 52 1.495 7.255 3.977 376 HA SER 52 HA SER 52 1.239 9.687 5.078 377 1HB SER 52 1HB SER 52 3.377 8.557 4.387 378 2HB SER 52 2HB SER 52 3.050 8.995 2.722 379 HG SER 52 HG SER 52 4.325 10.465 4.537 380 H LYS 53 H LYS 53 1.716 11.883 3.720 381 HA LYS 53 HA LYS 53 -0.548 12.091 1.900 382 1HB LYS 53 1HB LYS 53 -0.363 14.494 2.283 383 2HB LYS 53 2HB LYS 53 -0.485 13.622 3.797 384 1HG LYS 53 1HG LYS 53 1.395 14.710 4.460 385 2HG LYS 53 2HG LYS 53 2.282 13.704 3.332 386 1HD LYS 53 1HD LYS 53 2.624 15.435 1.882 387 2HD LYS 53 2HD LYS 53 0.955 15.958 1.975 388 1HE LYS 53 1HE LYS 53 1.646 16.826 4.391 389 2HE LYS 53 2HE LYS 53 3.279 16.729 3.762 390 1HZ LYS 53 1HZ LYS 53 2.745 18.233 2.069 391 2HZ LYS 53 2HZ LYS 53 1.137 18.139 2.340 392 3HZ LYS 53 3HZ LYS 53 2.106 18.878 3.427 393 H TYR 54 H TYR 54 2.969 12.057 2.000 394 HA TYR 54 HA TYR 54 3.463 13.468 -0.369 395 1HB TYR 54 1HB TYR 54 4.756 11.360 1.406 396 2HB TYR 54 2HB TYR 54 5.498 11.639 -0.157 397 HD1 TYR 54 1HD TYR 54 3.967 14.008 2.324 398 HD2 TYR 54 2HD TYR 54 7.472 12.822 0.174 399 HE1 TYR 54 1HE TYR 54 5.234 15.996 3.276 400 HE2 TYR 54 2HE TYR 54 8.725 14.814 1.133 401 HH TYR 54 HH TYR 54 7.838 17.232 2.040 402 H ASN 55 H ASN 55 3.549 12.876 -2.525 403 HA ASN 55 HA ASN 55 2.058 10.589 -3.215 404 1HB ASN 55 1HB ASN 55 3.676 12.612 -4.838 405 2HB ASN 55 2HB ASN 55 2.805 11.298 -5.601 406 1HD2 ASN 55 1HD2 ASN 55 0.786 11.610 -6.155 407 2HD2 ASN 55 2HD2 ASN 55 -0.274 12.855 -5.582 408 H GLU 56 H GLU 56 5.522 11.604 -3.259 409 HA GLU 56 HA GLU 56 6.511 9.502 -4.735 410 1HB GLU 56 1HB GLU 56 7.733 11.256 -2.575 411 2HB GLU 56 2HB GLU 56 8.678 10.033 -3.402 412 1HG GLU 56 1HG GLU 56 7.200 11.552 -5.382 413 2HG GLU 56 2HG GLU 56 8.021 12.675 -4.316 414 H ASP 57 H ASP 57 5.827 9.819 -1.214 415 HA ASP 57 HA ASP 57 7.069 7.504 -0.411 416 1HB ASP 57 1HB ASP 57 4.677 9.066 0.619 417 2HB ASP 57 2HB ASP 57 5.174 7.591 1.424 418 H ILE 58 H ILE 58 3.717 8.192 -1.601 419 HA ILE 58 HA ILE 58 2.553 5.753 -1.126 420 HB ILE 58 HB ILE 58 2.153 7.813 -3.283 421 1HG1 ILE 58 1HG1 ILE 58 0.440 7.106 -0.887 422 2HG1 ILE 58 2HG1 ILE 58 1.670 8.354 -0.867 423 1HG2 ILE 58 1HG2 ILE 58 0.280 5.504 -2.731 424 2HG2 ILE 58 2HG2 ILE 58 0.177 6.728 -4.019 425 3HG2 ILE 58 3HG2 ILE 58 1.472 5.507 -4.053 426 1HD1 ILE 58 1HD1 ILE 58 0.439 9.794 -2.184 427 2HD1 ILE 58 2HD1 ILE 58 -0.269 8.474 -3.146 428 3HD1 ILE 58 3HD1 ILE 58 -0.917 8.845 -1.529 429 H ARG 59 H ARG 59 4.005 6.801 -4.294 430 HA ARG 59 HA ARG 59 3.868 4.562 -5.643 431 1HB ARG 59 1HB ARG 59 5.085 6.769 -6.241 432 2HB ARG 59 2HB ARG 59 6.507 6.091 -5.474 433 1HG ARG 59 1HG ARG 59 6.687 4.328 -7.079 434 2HG ARG 59 2HG ARG 59 5.033 4.530 -7.623 435 1HD ARG 59 1HD ARG 59 6.040 5.683 -9.348 436 2HD ARG 59 2HD ARG 59 5.967 7.018 -8.216 437 HE ARG 59 HE ARG 59 8.361 5.654 -7.627 438 1HH1 ARG 59 1HH1 ARG 59 6.977 7.342 -10.386 439 2HH1 ARG 59 2HH1 ARG 59 8.513 7.829 -11.021 440 1HH2 ARG 59 1HH2 ARG 59 10.388 6.296 -8.464 441 2HH2 ARG 59 2HH2 ARG 59 10.467 7.230 -9.919 442 H ARG 60 H ARG 60 6.340 5.274 -3.095 443 HA ARG 60 HA ARG 60 7.821 2.988 -3.439 444 1HB ARG 60 1HB ARG 60 7.441 5.043 -1.315 445 2HB ARG 60 2HB ARG 60 8.019 3.503 -0.710 446 1HG ARG 60 1HG ARG 60 10.092 4.228 -1.320 447 2HG ARG 60 2HG ARG 60 9.609 3.837 -2.958 448 1HD ARG 60 1HD ARG 60 8.645 6.215 -3.131 449 2HD ARG 60 2HD ARG 60 9.407 6.560 -1.591 450 HE ARG 60 HE ARG 60 11.249 5.398 -3.551 451 1HH1 ARG 60 1HH1 ARG 60 9.816 8.384 -2.361 452 2HH1 ARG 60 2HH1 ARG 60 11.099 9.385 -2.953 453 1HH2 ARG 60 1HH2 ARG 60 12.942 6.720 -4.333 454 2HH2 ARG 60 2HH2 ARG 60 12.889 8.433 -4.082 455 H GLY 61 H GLY 61 5.345 3.680 -0.847 456 1HA GLY 61 1HA GLY 61 5.158 1.272 0.361 457 2HA GLY 61 2HA GLY 61 3.791 2.334 0.091 458 H ILE 62 H ILE 62 3.805 2.198 -2.848 459 HA ILE 62 HA ILE 62 2.258 -0.146 -3.134 460 HB ILE 62 HB ILE 62 3.329 1.795 -5.186 461 1HG1 ILE 62 1HG1 ILE 62 0.770 1.738 -3.572 462 2HG1 ILE 62 2HG1 ILE 62 2.002 2.984 -3.590 463 1HG2 ILE 62 1HG2 ILE 62 0.887 0.622 -6.009 464 2HG2 ILE 62 2HG2 ILE 62 2.499 0.457 -6.746 465 3HG2 ILE 62 3HG2 ILE 62 1.964 -0.705 -5.508 466 1HD1 ILE 62 1HD1 ILE 62 0.686 4.005 -5.146 467 2HD1 ILE 62 2HD1 ILE 62 1.339 2.803 -6.284 468 3HD1 ILE 62 3HD1 ILE 62 -0.222 2.511 -5.481 469 H VAL 63 H VAL 63 5.598 0.810 -4.090 470 HA VAL 63 HA VAL 63 6.181 -1.401 -5.644 471 HB VAL 63 HB VAL 63 7.818 0.449 -3.927 472 1HG1 VAL 63 1HG1 VAL 63 9.602 -0.790 -5.679 473 2HG1 VAL 63 2HG1 VAL 63 9.500 -1.026 -3.917 474 3HG1 VAL 63 3HG1 VAL 63 8.636 -2.130 -5.014 475 1HG2 VAL 63 1HG2 VAL 63 8.638 1.180 -6.199 476 2HG2 VAL 63 2HG2 VAL 63 7.394 0.125 -6.912 477 3HG2 VAL 63 3HG2 VAL 63 6.915 1.494 -5.879 478 H LEU 64 H LEU 64 6.552 -0.890 -2.075 479 HA LEU 64 HA LEU 64 7.662 -3.397 -1.563 480 1HB LEU 64 1HB LEU 64 5.921 -1.972 0.411 481 2HB LEU 64 2HB LEU 64 7.393 -2.886 0.677 482 HG LEU 64 HG LEU 64 7.111 -0.090 -0.431 483 1HD1 LEU 64 1HD1 LEU 64 7.219 0.232 1.808 484 2HD1 LEU 64 2HD1 LEU 64 8.054 -1.310 2.109 485 3HD1 LEU 64 3HD1 LEU 64 8.966 0.090 1.495 486 1HD2 LEU 64 1HD2 LEU 64 9.095 -2.030 -1.155 487 2HD2 LEU 64 2HD2 LEU 64 8.937 -0.331 -1.663 488 3HD2 LEU 64 3HD2 LEU 64 9.854 -0.738 -0.192 489 H LEU 65 H LEU 65 4.234 -2.271 -1.089 490 HA LEU 65 HA LEU 65 3.202 -4.752 -0.482 491 1HB LEU 65 1HB LEU 65 1.802 -2.519 -1.956 492 2HB LEU 65 2HB LEU 65 1.052 -3.801 -1.026 493 HG LEU 65 HG LEU 65 3.000 -2.021 0.379 494 1HD1 LEU 65 1HD1 LEU 65 1.915 -0.125 0.011 495 2HD1 LEU 65 2HD1 LEU 65 0.786 -0.965 -1.080 496 3HD1 LEU 65 3HD1 LEU 65 0.423 -0.848 0.659 497 1HD2 LEU 65 1HD2 LEU 65 2.181 -3.703 1.762 498 2HD2 LEU 65 2HD2 LEU 65 1.151 -2.306 2.161 499 3HD2 LEU 65 3HD2 LEU 65 0.534 -3.591 1.095 500 H GLU 66 H GLU 66 4.066 -3.296 -3.618 501 HA GLU 66 HA GLU 66 2.684 -5.222 -5.131 502 1HB GLU 66 1HB GLU 66 4.804 -3.145 -5.715 503 2HB GLU 66 2HB GLU 66 4.392 -4.324 -6.946 504 1HG GLU 66 1HG GLU 66 2.057 -3.627 -6.951 505 2HG GLU 66 2HG GLU 66 2.285 -2.639 -5.522 506 H GLU 67 H GLU 67 5.388 -5.463 -3.116 507 HA GLU 67 HA GLU 67 6.601 -7.509 -4.783 508 1HB GLU 67 1HB GLU 67 7.577 -5.821 -2.477 509 2HB GLU 67 2HB GLU 67 8.357 -7.359 -2.788 510 1HG GLU 67 1HG GLU 67 8.213 -6.278 -5.344 511 2HG GLU 67 2HG GLU 67 8.445 -4.843 -4.366 512 H LEU 68 H LEU 68 4.643 -6.954 -1.927 513 HA LEU 68 HA LEU 68 5.179 -9.605 -0.882 514 1HB LEU 68 1HB LEU 68 3.193 -7.582 0.136 515 2HB LEU 68 2HB LEU 68 3.879 -8.951 0.988 516 HG LEU 68 HG LEU 68 5.727 -6.806 0.006 517 1HD1 LEU 68 1HD1 LEU 68 5.080 -5.198 1.422 518 2HD1 LEU 68 2HD1 LEU 68 3.519 -6.051 1.439 519 3HD1 LEU 68 3HD1 LEU 68 4.711 -6.352 2.726 520 1HD2 LEU 68 1HD2 LEU 68 6.007 -9.143 1.512 521 2HD2 LEU 68 2HD2 LEU 68 7.215 -7.857 1.277 522 3HD2 LEU 68 3HD2 LEU 68 6.137 -7.817 2.692 523 H LEU 69 H LEU 69 3.221 -8.129 -3.259 524 HA LEU 69 HA LEU 69 0.787 -9.379 -2.945 525 1HB LEU 69 1HB LEU 69 2.240 -7.965 -4.995 526 2HB LEU 69 2HB LEU 69 1.350 -9.300 -5.699 527 HG LEU 69 HG LEU 69 -0.062 -7.411 -5.827 528 1HD1 LEU 69 1HD1 LEU 69 -1.546 -8.247 -3.526 529 2HD1 LEU 69 2HD1 LEU 69 -1.831 -8.613 -5.245 530 3HD1 LEU 69 3HD1 LEU 69 -0.781 -9.670 -4.272 531 1HD2 LEU 69 1HD2 LEU 69 0.656 -6.898 -2.935 532 2HD2 LEU 69 2HD2 LEU 69 0.969 -5.868 -4.353 533 3HD2 LEU 69 3HD2 LEU 69 -0.696 -6.093 -3.767 534 HA PRO 70 HA PRO 70 2.530 -13.097 -5.248 535 1HB PRO 70 1HB PRO 70 5.146 -13.177 -6.035 536 2HB PRO 70 2HB PRO 70 3.845 -12.658 -7.087 537 1HG PRO 70 1HG PRO 70 5.882 -11.017 -5.709 538 2HG PRO 70 2HG PRO 70 4.864 -10.588 -7.069 539 1HD PRO 70 1HD PRO 70 4.516 -9.774 -4.341 540 2HD PRO 70 2HD PRO 70 3.435 -9.442 -5.680 541 H LYS 71 H LYS 71 4.351 -11.565 -2.822 542 HA LYS 71 HA LYS 71 5.247 -14.163 -1.834 543 1HB LYS 71 1HB LYS 71 5.970 -11.425 -0.766 544 2HB LYS 71 2HB LYS 71 6.770 -12.950 -0.444 545 1HG LYS 71 1HG LYS 71 7.422 -13.133 -2.843 546 2HG LYS 71 2HG LYS 71 6.589 -11.632 -3.195 547 1HD LYS 71 1HD LYS 71 8.111 -10.514 -1.440 548 2HD LYS 71 2HD LYS 71 9.036 -12.002 -1.412 549 1HE LYS 71 1HE LYS 71 8.548 -10.233 -3.855 550 2HE LYS 71 2HE LYS 71 10.060 -10.394 -2.983 551 1HZ LYS 71 1HZ LYS 71 8.695 -12.455 -4.559 552 2HZ LYS 71 2HZ LYS 71 10.173 -11.809 -4.819 553 3HZ LYS 71 3HZ LYS 71 9.928 -12.804 -3.547 554 H GLY 72 H GLY 72 2.384 -13.234 -1.888 555 1HA GLY 72 1HA GLY 72 1.854 -12.854 0.977 556 2HA GLY 72 2HA GLY 72 0.728 -12.625 -0.347 557 H SER 73 H SER 73 -0.053 -14.135 1.865 558 HA SER 73 HA SER 73 0.387 -16.890 1.166 559 1HB SER 73 1HB SER 73 0.351 -15.978 3.565 560 2HB SER 73 2HB SER 73 -1.380 -15.772 3.382 561 HG SER 73 HG SER 73 -0.036 -18.298 2.943 562 H LYS 74 H LYS 74 -2.446 -14.668 1.735 563 HA LYS 74 HA LYS 74 -3.782 -15.276 -0.579 564 1HB LYS 74 1HB LYS 74 -3.787 -17.547 1.031 565 2HB LYS 74 2HB LYS 74 -5.352 -16.823 1.340 566 1HG LYS 74 1HG LYS 74 -5.515 -16.563 -1.266 567 2HG LYS 74 2HG LYS 74 -4.188 -17.705 -1.327 568 1HD LYS 74 1HD LYS 74 -6.008 -19.167 -1.417 569 2HD LYS 74 2HD LYS 74 -5.703 -19.146 0.308 570 1HE LYS 74 1HE LYS 74 -7.393 -16.969 0.044 571 2HE LYS 74 2HE LYS 74 -7.999 -18.020 -1.220 572 1HZ LYS 74 1HZ LYS 74 -8.696 -19.513 0.272 573 2HZ LYS 74 2HZ LYS 74 -7.443 -19.297 1.296 574 3HZ LYS 74 3HZ LYS 74 -8.693 -18.246 1.303 575 H GLU 75 H GLU 75 -4.483 -15.063 2.981 576 HA GLU 75 HA GLU 75 -6.581 -13.222 2.465 577 1HB GLU 75 1HB GLU 75 -6.848 -13.182 4.902 578 2HB GLU 75 2HB GLU 75 -6.652 -14.835 4.357 579 1HG GLU 75 1HG GLU 75 -4.022 -14.139 4.804 580 2HG GLU 75 2HG GLU 75 -4.823 -13.155 6.013 581 H GLU 76 H GLU 76 -3.201 -12.977 2.524 582 HA GLU 76 HA GLU 76 -3.159 -10.375 3.740 583 1HB GLU 76 1HB GLU 76 -1.116 -12.341 2.749 584 2HB GLU 76 2HB GLU 76 -0.649 -10.652 2.776 585 1HG GLU 76 1HG GLU 76 -1.939 -11.044 5.257 586 2HG GLU 76 2HG GLU 76 -1.020 -12.517 5.020 587 H GLN 77 H GLN 77 -3.149 -11.903 0.523 588 HA GLN 77 HA GLN 77 -2.228 -9.738 -0.923 589 1HB GLN 77 1HB GLN 77 -3.689 -12.263 -1.467 590 2HB GLN 77 2HB GLN 77 -4.005 -11.000 -2.640 591 1HG GLN 77 1HG GLN 77 -1.390 -10.676 -2.660 592 2HG GLN 77 2HG GLN 77 -1.341 -12.257 -1.906 593 1HE2 GLN 77 1HE2 GLN 77 -0.752 -13.662 -3.375 594 2HE2 GLN 77 2HE2 GLN 77 -1.413 -13.851 -4.965 595 H ARG 78 H ARG 78 -5.414 -10.492 0.481 596 HA ARG 78 HA ARG 78 -6.858 -8.675 -1.047 597 1HB ARG 78 1HB ARG 78 -7.297 -9.958 1.679 598 2HB ARG 78 2HB ARG 78 -8.453 -8.808 1.040 599 1HG ARG 78 1HG ARG 78 -9.356 -10.795 0.218 600 2HG ARG 78 2HG ARG 78 -8.346 -10.331 -1.138 601 1HD ARG 78 1HD ARG 78 -6.934 -12.111 -0.849 602 2HD ARG 78 2HD ARG 78 -6.855 -11.886 0.887 603 HE ARG 78 HE ARG 78 -8.545 -13.756 -0.501 604 1HH1 ARG 78 1HH1 ARG 78 -8.562 -11.580 2.264 605 2HH1 ARG 78 2HH1 ARG 78 -9.740 -12.498 3.141 606 1HH2 ARG 78 1HH2 ARG 78 -10.100 -14.968 0.656 607 2HH2 ARG 78 2HH2 ARG 78 -10.620 -14.437 2.220 608 H ASP 79 H ASP 79 -4.793 -8.388 1.827 609 HA ASP 79 HA ASP 79 -5.797 -5.793 2.469 610 1HB ASP 79 1HB ASP 79 -4.189 -7.822 3.731 611 2HB ASP 79 2HB ASP 79 -3.228 -6.358 3.683 612 H TYR 80 H TYR 80 -3.525 -7.235 0.290 613 HA TYR 80 HA TYR 80 -1.671 -5.027 0.261 614 1HB TYR 80 1HB TYR 80 -2.221 -7.543 -1.430 615 2HB TYR 80 2HB TYR 80 -0.879 -6.469 -1.771 616 HD1 TYR 80 1HD TYR 80 -0.290 -9.252 -1.325 617 HD2 TYR 80 2HD TYR 80 -0.834 -6.141 1.561 618 HE1 TYR 80 1HE TYR 80 1.154 -10.528 0.334 619 HE2 TYR 80 2HE TYR 80 0.611 -7.428 3.210 620 HH TYR 80 HH TYR 80 2.015 -10.569 2.307 621 H VAL 81 H VAL 81 -3.561 -6.585 -2.421 622 HA VAL 81 HA VAL 81 -3.421 -4.685 -4.266 623 HB VAL 81 HB VAL 81 -5.913 -6.196 -3.457 624 1HG1 VAL 81 1HG1 VAL 81 -5.223 -4.541 -5.855 625 2HG1 VAL 81 2HG1 VAL 81 -6.192 -6.015 -6.090 626 3HG1 VAL 81 3HG1 VAL 81 -6.773 -4.731 -5.004 627 1HG2 VAL 81 1HG2 VAL 81 -3.398 -6.969 -4.840 628 2HG2 VAL 81 2HG2 VAL 81 -4.521 -7.944 -3.864 629 3HG2 VAL 81 3HG2 VAL 81 -4.912 -7.568 -5.559 630 H PHE 82 H PHE 82 -5.977 -4.698 -1.677 631 HA PHE 82 HA PHE 82 -7.266 -2.431 -2.226 632 1HB PHE 82 1HB PHE 82 -7.757 -3.843 -0.275 633 2HB PHE 82 2HB PHE 82 -6.158 -3.579 0.394 634 HD1 PHE 82 1HD PHE 82 -8.441 -0.990 -0.968 635 HD2 PHE 82 2HD PHE 82 -6.685 -2.690 2.500 636 HE1 PHE 82 1HE PHE 82 -9.333 0.906 0.413 637 HE2 PHE 82 2HE PHE 82 -7.577 -0.794 3.882 638 HZ PHE 82 HZ PHE 82 -8.890 0.982 2.821 639 H TYR 83 H TYR 83 -4.225 -2.566 -0.232 640 HA TYR 83 HA TYR 83 -4.007 0.220 0.011 641 1HB TYR 83 1HB TYR 83 -2.069 -2.170 0.071 642 2HB TYR 83 2HB TYR 83 -1.555 -0.558 0.527 643 HD1 TYR 83 1HD TYR 83 -1.077 -2.448 2.525 644 HD2 TYR 83 2HD TYR 83 -4.804 -0.560 1.602 645 HE1 TYR 83 1HE TYR 83 -1.884 -2.861 4.900 646 HE2 TYR 83 2HE TYR 83 -5.598 -0.981 3.980 647 HH TYR 83 HH TYR 83 -5.169 -1.934 5.876 648 H LEU 84 H LEU 84 -2.967 -2.100 -2.492 649 HA LEU 84 HA LEU 84 -1.117 -0.379 -3.737 650 1HB LEU 84 1HB LEU 84 -2.492 -2.934 -4.365 651 2HB LEU 84 2HB LEU 84 -1.854 -2.026 -5.721 652 HG LEU 84 HG LEU 84 0.371 -1.973 -4.439 653 1HD1 LEU 84 1HD1 LEU 84 -0.172 -2.582 -2.252 654 2HD1 LEU 84 2HD1 LEU 84 -1.176 -3.955 -2.778 655 3HD1 LEU 84 3HD1 LEU 84 0.596 -4.040 -2.924 656 1HD2 LEU 84 1HD2 LEU 84 1.033 -4.156 -5.296 657 2HD2 LEU 84 2HD2 LEU 84 -0.676 -4.637 -5.438 658 3HD2 LEU 84 3HD2 LEU 84 -0.034 -3.320 -6.450 659 H ALA 85 H ALA 85 -4.654 -0.771 -3.882 660 HA ALA 85 HA ALA 85 -4.865 0.915 -6.208 661 1HB ALA 85 1HB ALA 85 -7.251 0.527 -5.951 662 2HB ALA 85 2HB ALA 85 -6.393 -1.015 -5.721 663 3HB ALA 85 3HB ALA 85 -7.009 -0.120 -4.311 664 H VAL 86 H VAL 86 -5.917 1.102 -2.727 665 HA VAL 86 HA VAL 86 -6.804 3.678 -2.737 666 HB VAL 86 HB VAL 86 -6.829 1.891 -0.918 667 1HG1 VAL 86 1HG1 VAL 86 -4.332 3.234 0.106 668 2HG1 VAL 86 2HG1 VAL 86 -5.080 1.701 0.614 669 3HG1 VAL 86 3HG1 VAL 86 -4.231 1.803 -0.947 670 1HG2 VAL 86 1HG2 VAL 86 -7.032 3.564 0.877 671 2HG2 VAL 86 2HG2 VAL 86 -6.217 4.766 -0.153 672 3HG2 VAL 86 3HG2 VAL 86 -7.806 4.118 -0.627 673 H GLY 87 H GLY 87 -3.426 2.457 -2.514 674 1HA GLY 87 1HA GLY 87 -2.267 5.013 -2.032 675 2HA GLY 87 2HA GLY 87 -1.448 3.543 -2.524 676 H ASN 88 H ASN 88 -2.668 2.913 -4.970 677 HA ASN 88 HA ASN 88 -1.282 4.516 -6.692 678 1HB ASN 88 1HB ASN 88 -3.300 2.354 -6.875 679 2HB ASN 88 2HB ASN 88 -3.395 3.459 -8.232 680 1HD2 ASN 88 1HD2 ASN 88 -1.926 0.756 -7.010 681 2HD2 ASN 88 2HD2 ASN 88 -0.524 0.658 -8.022 682 H TYR 89 H TYR 89 -4.798 4.467 -5.784 683 HA TYR 89 HA TYR 89 -5.782 6.328 -7.525 684 1HB TYR 89 1HB TYR 89 -7.275 5.171 -6.027 685 2HB TYR 89 2HB TYR 89 -6.249 5.471 -4.637 686 HD1 TYR 89 1HD TYR 89 -8.778 6.962 -6.885 687 HD2 TYR 89 2HD TYR 89 -6.480 7.476 -3.315 688 HE1 TYR 89 1HE TYR 89 -10.248 8.924 -6.214 689 HE2 TYR 89 2HE TYR 89 -7.957 9.438 -2.656 690 HH TYR 89 HH TYR 89 -10.847 10.210 -4.476 691 H ARG 90 H ARG 90 -4.469 6.974 -4.192 692 HA ARG 90 HA ARG 90 -4.787 9.667 -4.263 693 1HB ARG 90 1HB ARG 90 -3.721 7.853 -2.487 694 2HB ARG 90 2HB ARG 90 -2.261 8.682 -2.986 695 1HG ARG 90 1HG ARG 90 -4.689 10.327 -2.239 696 2HG ARG 90 2HG ARG 90 -3.731 9.608 -0.959 697 1HD ARG 90 1HD ARG 90 -1.981 11.057 -1.282 698 2HD ARG 90 2HD ARG 90 -2.075 10.938 -3.028 699 HE ARG 90 HE ARG 90 -4.360 12.390 -2.185 700 1HH1 ARG 90 1HH1 ARG 90 -0.862 12.766 -2.169 701 2HH1 ARG 90 2HH1 ARG 90 -0.920 14.496 -2.230 702 1HH2 ARG 90 1HH2 ARG 90 -4.437 14.673 -2.266 703 2HH2 ARG 90 2HH2 ARG 90 -2.967 15.588 -2.286 704 H LEU 91 H LEU 91 -2.545 7.644 -6.035 705 HA LEU 91 HA LEU 91 -0.744 9.859 -6.573 706 1HB LEU 91 1HB LEU 91 -0.508 7.048 -6.417 707 2HB LEU 91 2HB LEU 91 -0.208 7.478 -8.089 708 HG LEU 91 HG LEU 91 1.194 8.970 -5.886 709 1HD1 LEU 91 1HD1 LEU 91 2.198 7.129 -5.151 710 2HD1 LEU 91 2HD1 LEU 91 1.466 6.135 -6.434 711 3HD1 LEU 91 3HD1 LEU 91 2.986 7.008 -6.743 712 1HD2 LEU 91 1HD2 LEU 91 2.928 8.568 -8.002 713 2HD2 LEU 91 2HD2 LEU 91 1.349 8.784 -8.796 714 3HD2 LEU 91 3HD2 LEU 91 1.965 10.033 -7.688 715 H LYS 92 H LYS 92 -3.742 9.496 -7.447 716 HA LYS 92 HA LYS 92 -4.936 10.184 -9.176 717 1HB LYS 92 1HB LYS 92 -2.279 10.955 -10.421 718 2HB LYS 92 2HB LYS 92 -3.854 11.406 -11.042 719 1HG LYS 92 1HG LYS 92 -3.391 12.002 -8.145 720 2HG LYS 92 2HG LYS 92 -2.420 12.930 -9.271 721 1HD LYS 92 1HD LYS 92 -4.418 13.733 -10.441 722 2HD LYS 92 2HD LYS 92 -5.450 12.659 -9.519 723 1HE LYS 92 1HE LYS 92 -5.497 14.057 -7.702 724 2HE LYS 92 2HE LYS 92 -3.781 14.400 -7.800 725 1HZ LYS 92 1HZ LYS 92 -4.957 16.359 -8.301 726 2HZ LYS 92 2HZ LYS 92 -4.317 15.844 -9.713 727 3HZ LYS 92 3HZ LYS 92 -5.907 15.625 -9.409 728 H GLU 93 H GLU 93 -3.151 7.500 -8.972 729 HA GLU 93 HA GLU 93 -3.490 6.661 -11.710 730 1HB GLU 93 1HB GLU 93 -2.225 5.346 -9.274 731 2HB GLU 93 2HB GLU 93 -2.402 4.516 -10.806 732 1HG GLU 93 1HG GLU 93 -0.867 7.116 -10.336 733 2HG GLU 93 2HG GLU 93 -0.161 5.541 -10.644 734 H TYR 94 H TYR 94 -5.778 6.545 -11.941 735 HA TYR 94 HA TYR 94 -7.306 5.047 -10.017 736 1HB TYR 94 1HB TYR 94 -8.120 5.894 -12.842 737 2HB TYR 94 2HB TYR 94 -9.128 5.856 -11.409 738 HD1 TYR 94 1HD TYR 94 -8.364 8.118 -13.580 739 HD2 TYR 94 2HD TYR 94 -7.352 7.360 -9.493 740 HE1 TYR 94 1HE TYR 94 -7.949 10.600 -13.215 741 HE2 TYR 94 2HE TYR 94 -6.940 9.843 -9.142 742 HH TYR 94 HH TYR 94 -8.074 12.108 -10.795 743 H GLU 95 H GLU 95 -6.221 4.657 -13.453 744 HA GLU 95 HA GLU 95 -7.522 2.422 -14.114 745 1HB GLU 95 1HB GLU 95 -4.691 3.324 -14.719 746 2HB GLU 95 2HB GLU 95 -5.316 1.839 -15.409 747 1HG GLU 95 1HG GLU 95 -6.726 2.941 -16.851 748 2HG GLU 95 2HG GLU 95 -7.176 4.143 -15.658 749 H LYS 96 H LYS 96 -4.075 2.178 -12.992 750 HA LYS 96 HA LYS 96 -4.093 -0.479 -12.433 751 1HB LYS 96 1HB LYS 96 -2.562 1.809 -11.184 752 2HB LYS 96 2HB LYS 96 -2.255 0.138 -10.754 753 1HG LYS 96 1HG LYS 96 -2.293 1.016 -13.666 754 2HG LYS 96 2HG LYS 96 -0.849 1.205 -12.690 755 1HD LYS 96 1HD LYS 96 -0.840 -1.230 -12.189 756 2HD LYS 96 2HD LYS 96 -2.326 -1.440 -13.094 757 1HE LYS 96 1HE LYS 96 -0.376 -0.042 -14.748 758 2HE LYS 96 2HE LYS 96 0.349 -1.501 -14.100 759 1HZ LYS 96 1HZ LYS 96 -1.254 -2.801 -15.085 760 2HZ LYS 96 2HZ LYS 96 -2.327 -1.583 -15.267 761 3HZ LYS 96 3HZ LYS 96 -1.005 -1.656 -16.223 762 H ALA 97 H ALA 97 -5.215 2.240 -10.359 763 HA ALA 97 HA ALA 97 -5.581 0.894 -8.006 764 1HB ALA 97 1HB ALA 97 -7.780 2.616 -8.245 765 2HB ALA 97 2HB ALA 97 -6.175 3.029 -7.597 766 3HB ALA 97 3HB ALA 97 -6.545 3.325 -9.313 767 H LEU 98 H LEU 98 -8.295 1.565 -10.330 768 HA LEU 98 HA LEU 98 -10.078 -0.189 -9.280 769 1HB LEU 98 1HB LEU 98 -9.639 1.104 -11.887 770 2HB LEU 98 2HB LEU 98 -10.627 -0.342 -11.950 771 HG LEU 98 HG LEU 98 -11.222 1.866 -9.982 772 1HD1 LEU 98 1HD1 LEU 98 -11.596 1.886 -12.914 773 2HD1 LEU 98 2HD1 LEU 98 -13.023 2.336 -11.950 774 3HD1 LEU 98 3HD1 LEU 98 -11.497 3.230 -11.751 775 1HD2 LEU 98 1HD2 LEU 98 -12.281 -0.371 -9.695 776 2HD2 LEU 98 2HD2 LEU 98 -13.442 0.950 -9.966 777 3HD2 LEU 98 3HD2 LEU 98 -13.043 -0.170 -11.290 778 H LYS 99 H LYS 99 -7.899 -0.925 -12.101 779 HA LYS 99 HA LYS 99 -8.432 -3.497 -12.496 780 1HB LYS 99 1HB LYS 99 -6.041 -1.806 -12.752 781 2HB LYS 99 2HB LYS 99 -5.674 -3.514 -12.615 782 1HG LYS 99 1HG LYS 99 -7.176 -4.049 -14.487 783 2HG LYS 99 2HG LYS 99 -7.746 -2.393 -14.558 784 1HD LYS 99 1HD LYS 99 -5.079 -1.923 -14.818 785 2HD LYS 99 2HD LYS 99 -5.130 -3.546 -15.480 786 1HE LYS 99 1HE LYS 99 -6.780 -2.894 -17.160 787 2HE LYS 99 2HE LYS 99 -7.012 -1.328 -16.408 788 1HZ LYS 99 1HZ LYS 99 -5.543 -0.909 -18.096 789 2HZ LYS 99 2HZ LYS 99 -4.525 -1.067 -16.829 790 3HZ LYS 99 3HZ LYS 99 -4.697 -2.292 -17.896 791 H TYR 100 H TYR 100 -6.755 -2.126 -9.659 792 HA TYR 100 HA TYR 100 -6.186 -4.779 -8.637 793 1HB TYR 100 1HB TYR 100 -5.498 -1.905 -8.209 794 2HB TYR 100 2HB TYR 100 -5.742 -2.748 -6.693 795 HD1 TYR 100 1HD TYR 100 -4.686 -5.480 -7.541 796 HD2 TYR 100 2HD TYR 100 -3.160 -1.526 -8.123 797 HE1 TYR 100 1HE TYR 100 -2.323 -6.405 -7.680 798 HE2 TYR 100 2HE TYR 100 -0.801 -2.464 -8.260 799 HH TYR 100 HH TYR 100 0.118 -4.921 -8.992 800 H VAL 101 H VAL 101 -8.344 -1.965 -7.984 801 HA VAL 101 HA VAL 101 -9.416 -3.012 -5.606 802 HB VAL 101 HB VAL 101 -9.703 -0.721 -7.301 803 1HG1 VAL 101 1HG1 VAL 101 -12.160 -0.310 -6.824 804 2HG1 VAL 101 2HG1 VAL 101 -11.808 -1.515 -8.086 805 3HG1 VAL 101 3HG1 VAL 101 -12.295 -2.047 -6.459 806 1HG2 VAL 101 1HG2 VAL 101 -10.233 -1.457 -4.440 807 2HG2 VAL 101 2HG2 VAL 101 -9.096 -0.270 -5.120 808 3HG2 VAL 101 3HG2 VAL 101 -10.837 0.095 -5.066 809 H ARG 102 H ARG 102 -10.624 -3.001 -9.032 810 HA ARG 102 HA ARG 102 -12.912 -4.405 -8.519 811 1HB ARG 102 1HB ARG 102 -11.176 -4.535 -11.038 812 2HB ARG 102 2HB ARG 102 -12.873 -4.962 -10.955 813 1HG ARG 102 1HG ARG 102 -11.770 -2.192 -10.285 814 2HG ARG 102 2HG ARG 102 -12.447 -2.629 -11.841 815 1HD ARG 102 1HD ARG 102 -14.125 -3.204 -9.405 816 2HD ARG 102 2HD ARG 102 -13.945 -1.524 -9.875 817 HE ARG 102 HE ARG 102 -15.118 -1.958 -11.901 818 1HH1 ARG 102 1HH1 ARG 102 -14.582 -4.919 -10.077 819 2HH1 ARG 102 2HH1 ARG 102 -15.710 -5.848 -11.007 820 1HH2 ARG 102 1HH2 ARG 102 -16.606 -3.184 -13.128 821 2HH2 ARG 102 2HH2 ARG 102 -16.869 -4.854 -12.754 822 H GLY 103 H GLY 103 -9.537 -5.473 -8.860 823 1HA GLY 103 1HA GLY 103 -10.237 -8.276 -9.124 824 2HA GLY 103 2HA GLY 103 -8.635 -7.571 -9.045 825 H LEU 104 H LEU 104 -10.347 -6.081 -6.582 826 HA LEU 104 HA LEU 104 -9.412 -8.092 -4.658 827 1HB LEU 104 1HB LEU 104 -8.165 -6.058 -4.503 828 2HB LEU 104 2HB LEU 104 -9.625 -5.089 -4.479 829 HG LEU 104 HG LEU 104 -8.310 -5.538 -2.276 830 1HD1 LEU 104 1HD1 LEU 104 -11.294 -5.591 -2.652 831 2HD1 LEU 104 2HD1 LEU 104 -10.572 -5.648 -1.025 832 3HD1 LEU 104 3HD1 LEU 104 -10.245 -4.265 -2.097 833 1HD2 LEU 104 1HD2 LEU 104 -10.092 -7.933 -2.022 834 2HD2 LEU 104 2HD2 LEU 104 -8.502 -8.102 -2.803 835 3HD2 LEU 104 3HD2 LEU 104 -8.612 -7.506 -1.129 836 H LEU 105 H LEU 105 -12.024 -5.708 -5.418 837 HA LEU 105 HA LEU 105 -13.700 -6.289 -3.325 838 1HB LEU 105 1HB LEU 105 -14.050 -5.270 -6.104 839 2HB LEU 105 2HB LEU 105 -15.483 -5.728 -5.207 840 HG LEU 105 HG LEU 105 -14.907 -3.304 -5.091 841 1HD1 LEU 105 1HD1 LEU 105 -14.844 -4.682 -2.395 842 2HD1 LEU 105 2HD1 LEU 105 -15.428 -3.040 -2.758 843 3HD1 LEU 105 3HD1 LEU 105 -16.305 -4.456 -3.387 844 1HD2 LEU 105 1HD2 LEU 105 -12.485 -3.457 -5.059 845 2HD2 LEU 105 2HD2 LEU 105 -13.067 -2.585 -3.620 846 3HD2 LEU 105 3HD2 LEU 105 -12.531 -4.277 -3.479 847 H GLN 106 H GLN 106 -12.951 -8.165 -6.246 848 HA GLN 106 HA GLN 106 -15.119 -9.786 -6.364 849 1HB GLN 106 1HB GLN 106 -12.365 -9.822 -7.298 850 2HB GLN 106 2HB GLN 106 -12.848 -11.443 -6.841 851 1HG GLN 106 1HG GLN 106 -15.058 -10.268 -8.261 852 2HG GLN 106 2HG GLN 106 -13.611 -9.930 -9.189 853 1HE2 GLN 106 1HE2 GLN 106 -16.046 -11.977 -8.994 854 2HE2 GLN 106 2HE2 GLN 106 -15.334 -13.472 -9.500 855 H THR 107 H THR 107 -12.019 -10.577 -4.616 856 HA THR 107 HA THR 107 -13.387 -12.642 -3.128 857 HB THR 107 HB THR 107 -11.031 -12.831 -4.075 858 HG1 THR 107 1HG THR 107 -11.836 -14.044 -2.177 859 1HG2 THR 107 1HG2 THR 107 -9.340 -11.423 -3.415 860 2HG2 THR 107 2HG2 THR 107 -10.632 -10.323 -2.878 861 3HG2 THR 107 3HG2 THR 107 -9.886 -11.451 -1.721 862 H GLU 108 H GLU 108 -13.236 -9.295 -2.891 863 HA GLU 108 HA GLU 108 -13.906 -9.531 -0.083 864 1HB GLU 108 1HB GLU 108 -12.024 -7.380 -1.147 865 2HB GLU 108 2HB GLU 108 -12.547 -7.571 0.515 866 1HG GLU 108 1HG GLU 108 -11.082 -9.793 -0.970 867 2HG GLU 108 2HG GLU 108 -10.219 -8.529 -0.114 868 HA PRO 109 HA PRO 109 -16.738 -6.944 -2.572 869 1HB PRO 109 1HB PRO 109 -19.004 -8.448 -2.313 870 2HB PRO 109 2HB PRO 109 -17.934 -8.558 -3.696 871 1HG PRO 109 1HG PRO 109 -18.243 -10.440 -1.437 872 2HG PRO 109 2HG PRO 109 -17.518 -10.720 -3.008 873 1HD PRO 109 1HD PRO 109 -16.136 -10.303 -0.530 874 2HD PRO 109 2HD PRO 109 -15.413 -10.467 -2.118 875 H GLN 110 H GLN 110 -17.599 -8.722 0.350 876 HA GLN 110 HA GLN 110 -19.369 -6.820 1.267 877 1HB GLN 110 1HB GLN 110 -19.293 -7.991 3.349 878 2HB GLN 110 2HB GLN 110 -19.011 -9.203 2.116 879 1HG GLN 110 1HG GLN 110 -16.456 -8.668 2.508 880 2HG GLN 110 2HG GLN 110 -17.001 -7.938 4.006 881 1HE2 GLN 110 1HE2 GLN 110 -17.276 -10.886 2.050 882 2HE2 GLN 110 2HE2 GLN 110 -17.365 -12.019 3.358 883 H ASN 111 H ASN 111 -15.893 -6.772 1.032 884 HA ASN 111 HA ASN 111 -15.250 -5.203 3.189 885 1HB ASN 111 1HB ASN 111 -13.614 -6.316 1.618 886 2HB ASN 111 2HB ASN 111 -14.029 -5.150 0.377 887 1HD2 ASN 111 1HD2 ASN 111 -11.482 -5.299 0.987 888 2HD2 ASN 111 2HD2 ASN 111 -10.925 -3.960 1.933 889 H ASN 112 H ASN 112 -16.067 -3.160 3.672 890 HA ASN 112 HA ASN 112 -17.396 -1.667 1.687 891 1HB ASN 112 1HB ASN 112 -16.487 -0.633 4.414 892 2HB ASN 112 2HB ASN 112 -17.872 -0.099 3.483 893 1HD2 ASN 112 1HD2 ASN 112 -19.684 -1.462 3.247 894 2HD2 ASN 112 2HD2 ASN 112 -20.046 -2.712 4.391 895 H GLN 113 H GLN 113 -14.269 -1.474 3.498 896 HA GLN 113 HA GLN 113 -13.443 0.996 2.759 897 1HB GLN 113 1HB GLN 113 -11.964 -1.590 3.300 898 2HB GLN 113 2HB GLN 113 -11.067 -0.159 2.833 899 1HG GLN 113 1HG GLN 113 -11.993 1.109 4.730 900 2HG GLN 113 2HG GLN 113 -13.054 -0.220 5.151 901 1HE2 GLN 113 1HE2 GLN 113 -9.930 1.138 5.389 902 2HE2 GLN 113 2HE2 GLN 113 -9.165 -0.080 6.352 903 H ALA 114 H ALA 114 -13.375 -2.060 0.873 904 HA ALA 114 HA ALA 114 -11.873 -0.897 -1.267 905 1HB ALA 114 1HB ALA 114 -13.518 -3.358 -1.664 906 2HB ALA 114 2HB ALA 114 -11.817 -3.040 -2.079 907 3HB ALA 114 3HB ALA 114 -12.266 -3.427 -0.401 908 H LYS 115 H LYS 115 -15.330 -1.804 -0.662 909 HA LYS 115 HA LYS 115 -16.399 -1.208 -3.077 910 1HB LYS 115 1HB LYS 115 -17.406 -1.008 -0.259 911 2HB LYS 115 2HB LYS 115 -18.401 -0.381 -1.557 912 1HG LYS 115 1HG LYS 115 -17.728 -2.760 -2.680 913 2HG LYS 115 2HG LYS 115 -17.573 -3.215 -0.995 914 1HD LYS 115 1HD LYS 115 -19.825 -3.306 -0.742 915 2HD LYS 115 2HD LYS 115 -20.011 -1.668 -1.340 916 1HE LYS 115 1HE LYS 115 -20.194 -2.392 -3.619 917 2HE LYS 115 2HE LYS 115 -19.527 -3.972 -3.264 918 1HZ LYS 115 1HZ LYS 115 -21.472 -4.630 -2.261 919 2HZ LYS 115 2HZ LYS 115 -22.010 -3.111 -1.994 920 3HZ LYS 115 3HZ LYS 115 -22.027 -3.730 -3.505 921 H GLU 116 H GLU 116 -16.517 1.200 -0.363 922 HA GLU 116 HA GLU 116 -17.180 3.344 -1.767 923 1HB GLU 116 1HB GLU 116 -15.658 2.858 0.713 924 2HB GLU 116 2HB GLU 116 -15.256 4.394 -0.030 925 1HG GLU 116 1HG GLU 116 -17.905 4.628 -0.272 926 2HG GLU 116 2HG GLU 116 -17.929 3.435 1.011 927 H LEU 117 H LEU 117 -13.716 2.398 -1.151 928 HA LEU 117 HA LEU 117 -12.434 4.277 -2.565 929 1HB LEU 117 1HB LEU 117 -11.353 2.516 -1.298 930 2HB LEU 117 2HB LEU 117 -11.846 1.315 -2.476 931 HG LEU 117 HG LEU 117 -10.388 2.235 -4.152 932 1HD1 LEU 117 1HD1 LEU 117 -8.812 4.177 -2.985 933 2HD1 LEU 117 2HD1 LEU 117 -10.108 4.449 -4.174 934 3HD1 LEU 117 3HD1 LEU 117 -10.451 4.601 -2.434 935 1HD2 LEU 117 1HD2 LEU 117 -9.241 1.655 -1.452 936 2HD2 LEU 117 2HD2 LEU 117 -9.136 0.729 -2.969 937 3HD2 LEU 117 3HD2 LEU 117 -8.152 2.197 -2.752 938 H GLU 118 H GLU 118 -13.395 1.106 -4.069 939 HA GLU 118 HA GLU 118 -12.818 1.592 -6.588 940 1HB GLU 118 1HB GLU 118 -13.866 -0.490 -5.831 941 2HB GLU 118 2HB GLU 118 -15.386 0.330 -5.536 942 1HG GLU 118 1HG GLU 118 -15.210 1.010 -8.096 943 2HG GLU 118 2HG GLU 118 -14.073 -0.320 -8.190 944 H ARG 119 H ARG 119 -15.829 2.758 -4.942 945 HA ARG 119 HA ARG 119 -16.794 4.023 -7.236 946 1HB ARG 119 1HB ARG 119 -17.461 3.978 -4.310 947 2HB ARG 119 2HB ARG 119 -18.040 5.373 -5.199 948 1HG ARG 119 1HG ARG 119 -18.704 3.311 -6.930 949 2HG ARG 119 2HG ARG 119 -18.898 2.529 -5.374 950 1HD ARG 119 1HD ARG 119 -20.050 5.207 -5.267 951 2HD ARG 119 2HD ARG 119 -20.705 4.343 -6.643 952 HE ARG 119 HE ARG 119 -21.213 3.763 -3.843 953 1HH1 ARG 119 1HH1 ARG 119 -20.972 2.280 -7.024 954 2HH1 ARG 119 2HH1 ARG 119 -22.005 0.948 -6.623 955 1HH2 ARG 119 1HH2 ARG 119 -22.576 2.006 -3.312 956 2HH2 ARG 119 2HH2 ARG 119 -22.923 0.792 -4.497 957 H LEU 120 H LEU 120 -14.866 5.091 -4.377 958 HA LEU 120 HA LEU 120 -14.920 7.800 -4.753 959 1HB LEU 120 1HB LEU 120 -12.740 5.980 -3.738 960 2HB LEU 120 2HB LEU 120 -12.633 7.728 -3.675 961 HG LEU 120 HG LEU 120 -15.018 6.363 -2.464 962 1HD1 LEU 120 1HD1 LEU 120 -13.404 6.620 -0.301 963 2HD1 LEU 120 2HD1 LEU 120 -13.641 5.105 -1.205 964 3HD1 LEU 120 3HD1 LEU 120 -12.222 6.127 -1.537 965 1HD2 LEU 120 1HD2 LEU 120 -14.422 8.973 -2.757 966 2HD2 LEU 120 2HD2 LEU 120 -15.388 8.325 -1.409 967 3HD2 LEU 120 3HD2 LEU 120 -13.655 8.663 -1.181 968 H ILE 121 H ILE 121 -12.702 5.365 -6.262 969 HA ILE 121 HA ILE 121 -11.226 7.222 -7.724 970 HB ILE 121 HB ILE 121 -11.805 4.292 -8.133 971 1HG1 ILE 121 1HG1 ILE 121 -9.086 5.005 -7.458 972 2HG1 ILE 121 2HG1 ILE 121 -10.191 5.694 -6.286 973 1HG2 ILE 121 1HG2 ILE 121 -10.493 6.198 -9.920 974 2HG2 ILE 121 2HG2 ILE 121 -9.451 4.827 -9.470 975 3HG2 ILE 121 3HG2 ILE 121 -11.040 4.530 -10.214 976 1HD1 ILE 121 1HD1 ILE 121 -9.347 3.261 -5.888 977 2HD1 ILE 121 2HD1 ILE 121 -11.087 3.577 -5.685 978 3HD1 ILE 121 3HD1 ILE 121 -10.490 2.806 -7.174 979 H ASP 122 H ASP 122 -14.238 5.387 -8.498 980 HA ASP 122 HA ASP 122 -14.474 6.025 -11.105 981 1HB ASP 122 1HB ASP 122 -16.029 4.672 -9.473 982 2HB ASP 122 2HB ASP 122 -16.845 6.201 -9.211 983 H LYS 123 H LYS 123 -14.975 8.034 -8.195 984 HA LYS 123 HA LYS 123 -16.260 10.154 -9.652 985 1HB LYS 123 1HB LYS 123 -15.452 9.668 -6.801 986 2HB LYS 123 2HB LYS 123 -15.798 11.304 -7.327 987 1HG LYS 123 1HG LYS 123 -18.051 10.806 -7.859 988 2HG LYS 123 2HG LYS 123 -17.740 9.090 -8.031 989 1HD LYS 123 1HD LYS 123 -17.795 8.695 -5.728 990 2HD LYS 123 2HD LYS 123 -17.239 10.308 -5.325 991 1HE LYS 123 1HE LYS 123 -19.369 11.091 -5.141 992 2HE LYS 123 2HE LYS 123 -19.817 10.441 -6.704 993 1HZ LYS 123 1HZ LYS 123 -20.565 9.482 -4.269 994 2HZ LYS 123 2HZ LYS 123 -20.811 8.761 -5.713 995 3HZ LYS 123 3HZ LYS 123 -19.498 8.376 -4.821 996 H ALA 124 H ALA 124 -13.066 9.617 -8.014 997 HA ALA 124 HA ALA 124 -11.847 11.959 -8.458 998 1HB ALA 124 1HB ALA 124 -10.266 10.642 -7.548 999 2HB ALA 124 2HB ALA 124 -11.072 9.169 -8.138 1000 3HB ALA 124 3HB ALA 124 -9.925 10.037 -9.187 1001 H MET 125 H MET 125 -11.750 9.221 -10.858 1002 HA MET 125 HA MET 125 -10.522 10.456 -12.867 1003 1HB MET 125 1HB MET 125 -13.053 8.746 -13.173 1004 2HB MET 125 2HB MET 125 -11.779 8.911 -14.365 1005 1HG MET 125 1HG MET 125 -10.417 8.118 -12.021 1006 2HG MET 125 2HG MET 125 -11.893 7.172 -11.993 1007 1HE MET 125 1HE MET 125 -11.323 5.181 -12.203 1008 2HE MET 125 2HE MET 125 -11.909 4.700 -13.814 1009 3HE MET 125 3HE MET 125 -10.224 4.369 -13.345 1010 H LYS 126 H LYS 126 -14.148 10.439 -12.493 1011 HA LYS 126 HA LYS 126 -14.695 12.163 -14.559 1012 1HB LYS 126 1HB LYS 126 -16.095 10.910 -12.425 1013 2HB LYS 126 2HB LYS 126 -16.530 12.606 -12.392 1014 1HG LYS 126 1HG LYS 126 -16.441 11.363 -15.111 1015 2HG LYS 126 2HG LYS 126 -17.698 10.758 -14.051 1016 1HD LYS 126 1HD LYS 126 -18.267 13.254 -13.575 1017 2HD LYS 126 2HD LYS 126 -17.248 13.631 -14.950 1018 1HE LYS 126 1HE LYS 126 -18.695 12.591 -16.492 1019 2HE LYS 126 2HE LYS 126 -19.386 11.521 -15.289 1020 1HZ LYS 126 1HZ LYS 126 -20.706 13.543 -16.081 1021 2HZ LYS 126 2HZ LYS 126 -20.718 13.180 -14.488 1022 3HZ LYS 126 3HZ LYS 126 -19.781 14.397 -15.041 1023 H LYS 127 H LYS 127 -13.908 12.897 -11.109 1024 HA LYS 127 HA LYS 127 -14.132 15.708 -11.545 1025 1HB LYS 127 1HB LYS 127 -13.018 14.078 -9.243 1026 2HB LYS 127 2HB LYS 127 -13.181 15.822 -9.231 1027 1HG LYS 127 1HG LYS 127 -15.422 15.715 -8.831 1028 2HG LYS 127 2HG LYS 127 -15.674 14.538 -10.104 1029 1HD LYS 127 1HD LYS 127 -15.396 12.710 -8.675 1030 2HD LYS 127 2HD LYS 127 -14.312 13.571 -7.601 1031 1HE LYS 127 1HE LYS 127 -16.786 14.973 -7.453 1032 2HE LYS 127 2HE LYS 127 -17.215 13.275 -7.430 1033 1HZ LYS 127 1HZ LYS 127 -15.030 13.556 -5.790 1034 2HZ LYS 127 2HZ LYS 127 -16.028 14.792 -5.410 1035 3HZ LYS 127 3HZ LYS 127 -16.570 13.253 -5.342 1036 H SER 128 H SER 128 -12.768 15.965 -13.447 1037 HA SER 128 HA SER 128 -9.991 16.157 -12.630 1038 1HB SER 128 1HB SER 128 -11.100 14.467 -14.794 1039 2HB SER 128 2HB SER 128 -9.801 15.513 -15.333 1040 HG SER 128 HG SER 128 -9.743 13.344 -13.504 1041 H GLY 129 H GLY 129 -8.735 17.558 -14.358 1042 1HA GLY 129 1HA GLY 129 -10.289 19.313 -15.998 1043 2HA GLY 129 2HA GLY 129 -9.817 20.075 -14.493 1044 HA PRO 130 HA PRO 130 -6.288 20.610 -17.248 1045 1HB PRO 130 1HB PRO 130 -5.893 23.273 -16.781 1046 2HB PRO 130 2HB PRO 130 -6.867 22.667 -18.105 1047 1HG PRO 130 1HG PRO 130 -7.749 23.897 -15.566 1048 2HG PRO 130 2HG PRO 130 -8.652 23.680 -17.052 1049 1HD PRO 130 1HD PRO 130 -8.893 22.124 -14.655 1050 2HD PRO 130 2HD PRO 130 -9.711 21.836 -16.179 1051 H SER 131 H SER 131 -4.607 19.530 -16.427 1052 HA SER 131 HA SER 131 -3.278 20.912 -14.284 1053 1HB SER 131 1HB SER 131 -4.257 18.035 -14.040 1054 2HB SER 131 2HB SER 131 -3.039 18.729 -12.986 1055 HG SER 131 HG SER 131 -5.582 18.801 -12.515 1056 H SER 132 H SER 132 -1.068 19.740 -13.823 1057 HA SER 132 HA SER 132 -0.021 19.041 -16.420 1058 1HB SER 132 1HB SER 132 1.118 20.080 -13.841 1059 2HB SER 132 2HB SER 132 2.185 19.130 -14.855 1060 HG SER 132 HG SER 132 2.391 21.313 -15.466 1061 H GLY 133 H GLY 133 0.232 17.878 -12.974 1062 1HA GLY 133 1HA GLY 133 -0.399 15.477 -12.731 1063 2HA GLY 133 2HA GLY 133 0.720 15.162 -14.042 Start of MODEL 4 1 H GLY 1 H GLY 1 -29.605 -3.963 11.612 2 1HA GLY 1 1HA GLY 1 -28.456 -1.803 11.292 3 2HA GLY 1 2HA GLY 1 -28.735 -2.184 12.980 4 H SER 2 H SER 2 -26.957 -1.128 13.900 5 HA SER 2 HA SER 2 -24.899 -0.746 14.475 6 1HB SER 2 1HB SER 2 -24.626 -3.649 13.619 7 2HB SER 2 2HB SER 2 -23.273 -2.770 14.302 8 HG SER 2 HG SER 2 -24.332 -3.827 16.008 9 H SER 3 H SER 3 -24.590 0.892 12.811 10 HA SER 3 HA SER 3 -22.974 -0.083 10.586 11 1HB SER 3 1HB SER 3 -25.221 1.816 10.732 12 2HB SER 3 2HB SER 3 -23.830 2.504 9.919 13 HG SER 3 HG SER 3 -24.057 1.131 8.259 14 H GLY 4 H GLY 4 -20.889 0.730 10.394 15 1HA GLY 4 1HA GLY 4 -19.955 2.477 12.519 16 2HA GLY 4 2HA GLY 4 -18.992 1.609 11.341 17 H SER 5 H SER 5 -18.356 4.256 11.893 18 HA SER 5 HA SER 5 -19.595 5.786 9.771 19 1HB SER 5 1HB SER 5 -18.611 6.417 12.370 20 2HB SER 5 2HB SER 5 -17.533 7.218 11.244 21 HG SER 5 HG SER 5 -20.365 7.404 10.830 22 H SER 6 H SER 6 -16.279 5.003 11.061 23 HA SER 6 HA SER 6 -14.950 5.999 8.844 24 1HB SER 6 1HB SER 6 -12.992 4.822 9.736 25 2HB SER 6 2HB SER 6 -13.884 5.569 11.046 26 HG SER 6 HG SER 6 -14.994 3.224 10.963 27 H GLY 7 H GLY 7 -13.979 4.905 7.013 28 1HA GLY 7 1HA GLY 7 -14.406 2.110 6.566 29 2HA GLY 7 2HA GLY 7 -15.535 3.100 5.662 30 H MET 8 H MET 8 -14.856 4.221 3.823 31 HA MET 8 HA MET 8 -12.017 3.900 3.222 32 1HB MET 8 1HB MET 8 -13.256 2.600 1.626 33 2HB MET 8 2HB MET 8 -14.550 3.778 1.534 34 1HG MET 8 1HG MET 8 -12.988 3.723 -0.491 35 2HG MET 8 2HG MET 8 -13.218 5.304 0.226 36 1HE MET 8 1HE MET 8 -9.629 2.694 1.467 37 2HE MET 8 2HE MET 8 -11.313 2.488 2.008 38 3HE MET 8 3HE MET 8 -10.861 2.096 0.330 39 H GLU 9 H GLU 9 -14.909 6.037 2.952 40 HA GLU 9 HA GLU 9 -13.678 8.118 1.646 41 1HB GLU 9 1HB GLU 9 -16.205 7.596 2.634 42 2HB GLU 9 2HB GLU 9 -15.686 8.887 3.699 43 1HG GLU 9 1HG GLU 9 -15.050 10.251 1.661 44 2HG GLU 9 2HG GLU 9 -15.698 8.978 0.645 45 H ALA 10 H ALA 10 -13.024 6.839 4.752 46 HA ALA 10 HA ALA 10 -11.975 9.404 5.706 47 1HB ALA 10 1HB ALA 10 -13.560 7.646 7.001 48 2HB ALA 10 2HB ALA 10 -11.974 6.951 7.413 49 3HB ALA 10 3HB ALA 10 -12.344 8.640 7.838 50 H VAL 11 H VAL 11 -11.116 5.898 5.309 51 HA VAL 11 HA VAL 11 -8.447 6.143 5.978 52 HB VAL 11 HB VAL 11 -9.919 4.087 5.586 53 1HG1 VAL 11 1HG1 VAL 11 -10.324 4.916 3.123 54 2HG1 VAL 11 2HG1 VAL 11 -8.794 4.064 2.800 55 3HG1 VAL 11 3HG1 VAL 11 -10.180 3.178 3.476 56 1HG2 VAL 11 1HG2 VAL 11 -8.041 2.706 5.427 57 2HG2 VAL 11 2HG2 VAL 11 -7.193 3.814 4.322 58 3HG2 VAL 11 3HG2 VAL 11 -7.369 4.235 6.043 59 H LEU 12 H LEU 12 -10.183 6.817 2.916 60 HA LEU 12 HA LEU 12 -7.767 7.206 1.446 61 1HB LEU 12 1HB LEU 12 -10.564 6.976 0.928 62 2HB LEU 12 2HB LEU 12 -9.999 8.472 0.214 63 HG LEU 12 HG LEU 12 -8.431 7.352 -1.176 64 1HD1 LEU 12 1HD1 LEU 12 -7.320 5.559 -0.498 65 2HD1 LEU 12 2HD1 LEU 12 -8.412 5.390 0.897 66 3HD1 LEU 12 3HD1 LEU 12 -8.802 4.583 -0.641 67 1HD2 LEU 12 1HD2 LEU 12 -11.208 6.336 -1.089 68 2HD2 LEU 12 2HD2 LEU 12 -10.301 7.113 -2.409 69 3HD2 LEU 12 3HD2 LEU 12 -10.063 5.383 -2.062 70 H ASN 13 H ASN 13 -9.096 8.885 3.987 71 HA ASN 13 HA ASN 13 -8.285 11.442 2.856 72 1HB ASN 13 1HB ASN 13 -10.359 10.594 4.830 73 2HB ASN 13 2HB ASN 13 -9.460 12.018 5.314 74 1HD2 ASN 13 1HD2 ASN 13 -11.236 10.564 2.617 75 2HD2 ASN 13 2HD2 ASN 13 -11.864 12.028 1.939 76 H GLU 14 H GLU 14 -8.473 9.835 6.132 77 HA GLU 14 HA GLU 14 -6.514 11.245 7.336 78 1HB GLU 14 1HB GLU 14 -8.133 9.158 8.047 79 2HB GLU 14 2HB GLU 14 -6.587 8.333 7.999 80 1HG GLU 14 1HG GLU 14 -6.579 10.993 9.369 81 2HG GLU 14 2HG GLU 14 -7.503 9.737 10.171 82 H LEU 15 H LEU 15 -4.238 11.041 7.638 83 HA LEU 15 HA LEU 15 -2.949 9.197 5.748 84 1HB LEU 15 1HB LEU 15 -1.175 10.945 5.538 85 2HB LEU 15 2HB LEU 15 -2.712 11.311 4.781 86 HG LEU 15 HG LEU 15 -3.206 12.597 7.016 87 1HD1 LEU 15 1HD1 LEU 15 -0.184 12.418 7.044 88 2HD1 LEU 15 2HD1 LEU 15 -1.127 13.624 7.951 89 3HD1 LEU 15 3HD1 LEU 15 -1.319 11.891 8.308 90 1HD2 LEU 15 1HD2 LEU 15 -1.705 13.389 4.582 91 2HD2 LEU 15 2HD2 LEU 15 -3.236 14.005 5.248 92 3HD2 LEU 15 3HD2 LEU 15 -1.687 14.538 5.943 93 H VAL 16 H VAL 16 -0.336 9.403 6.509 94 HA VAL 16 HA VAL 16 -0.479 8.369 9.240 95 HB VAL 16 HB VAL 16 0.624 7.375 6.916 96 1HG1 VAL 16 1HG1 VAL 16 2.449 9.179 7.346 97 2HG1 VAL 16 2HG1 VAL 16 2.996 8.080 8.634 98 3HG1 VAL 16 3HG1 VAL 16 2.949 7.519 6.946 99 1HG2 VAL 16 1HG2 VAL 16 1.045 6.748 9.839 100 2HG2 VAL 16 2HG2 VAL 16 0.035 5.901 8.644 101 3HG2 VAL 16 3HG2 VAL 16 1.808 5.774 8.559 102 H SER 17 H SER 17 2.003 8.701 10.236 103 HA SER 17 HA SER 17 2.570 11.534 9.910 104 1HB SER 17 1HB SER 17 2.571 10.198 12.638 105 2HB SER 17 2HB SER 17 2.637 11.911 12.279 106 HG SER 17 HG SER 17 0.518 11.628 12.800 107 H VAL 18 H VAL 18 4.772 11.990 9.801 108 HA VAL 18 HA VAL 18 6.601 10.077 9.258 109 HB VAL 18 HB VAL 18 6.995 12.770 10.573 110 1HG1 VAL 18 1HG1 VAL 18 8.980 11.278 10.809 111 2HG1 VAL 18 2HG1 VAL 18 9.031 11.122 9.038 112 3HG1 VAL 18 3HG1 VAL 18 9.285 12.711 9.799 113 1HG2 VAL 18 1HG2 VAL 18 7.531 13.461 8.205 114 2HG2 VAL 18 2HG2 VAL 18 6.911 11.878 7.676 115 3HG2 VAL 18 3HG2 VAL 18 5.830 13.028 8.500 116 H GLU 19 H GLU 19 6.027 11.619 12.497 117 HA GLU 19 HA GLU 19 7.902 10.370 13.927 118 1HB GLU 19 1HB GLU 19 5.593 11.846 14.475 119 2HB GLU 19 2HB GLU 19 5.297 10.338 15.318 120 1HG GLU 19 1HG GLU 19 7.902 11.906 15.582 121 2HG GLU 19 2HG GLU 19 6.541 12.132 16.661 122 H ASP 20 H ASP 20 5.020 8.926 12.467 123 HA ASP 20 HA ASP 20 5.353 6.525 14.013 124 1HB ASP 20 1HB ASP 20 3.288 7.732 12.283 125 2HB ASP 20 2HB ASP 20 3.508 6.027 11.944 126 H LEU 21 H LEU 21 5.067 7.416 10.479 127 HA LEU 21 HA LEU 21 5.897 5.110 9.352 128 1HB LEU 21 1HB LEU 21 5.084 6.901 8.036 129 2HB LEU 21 2HB LEU 21 6.369 7.975 8.553 130 HG LEU 21 HG LEU 21 7.408 5.578 7.243 131 1HD1 LEU 21 1HD1 LEU 21 6.015 7.376 5.311 132 2HD1 LEU 21 2HD1 LEU 21 6.472 5.662 5.165 133 3HD1 LEU 21 3HD1 LEU 21 5.059 6.126 6.143 134 1HD2 LEU 21 1HD2 LEU 21 8.687 7.229 5.970 135 2HD2 LEU 21 2HD2 LEU 21 7.694 8.538 6.653 136 3HD2 LEU 21 3HD2 LEU 21 8.744 7.569 7.716 137 H LYS 22 H LYS 22 8.055 7.817 10.451 138 HA LYS 22 HA LYS 22 10.435 6.550 9.802 139 1HB LYS 22 1HB LYS 22 11.474 8.289 10.924 140 2HB LYS 22 2HB LYS 22 9.934 8.995 10.482 141 1HG LYS 22 1HG LYS 22 10.122 9.587 12.755 142 2HG LYS 22 2HG LYS 22 9.103 8.164 12.824 143 1HD LYS 22 1HD LYS 22 10.612 7.269 14.265 144 2HD LYS 22 2HD LYS 22 11.701 7.097 12.903 145 1HE LYS 22 1HE LYS 22 11.807 9.848 13.790 146 2HE LYS 22 2HE LYS 22 11.981 8.819 15.197 147 1HZ LYS 22 1HZ LYS 22 14.076 8.697 14.517 148 2HZ LYS 22 2HZ LYS 22 13.552 7.605 13.422 149 3HZ LYS 22 3HZ LYS 22 13.754 9.166 12.986 150 H ASN 23 H ASN 23 8.378 6.393 12.752 151 HA ASN 23 HA ASN 23 10.064 5.100 14.409 152 1HB ASN 23 1HB ASN 23 7.305 5.663 14.320 153 2HB ASN 23 2HB ASN 23 7.347 3.915 14.437 154 1HD2 ASN 23 1HD2 ASN 23 6.290 4.508 16.507 155 2HD2 ASN 23 2HD2 ASN 23 7.283 4.763 17.903 156 H PHE 24 H PHE 24 8.380 3.937 11.504 157 HA PHE 24 HA PHE 24 9.096 1.178 12.108 158 1HB PHE 24 1HB PHE 24 7.291 2.714 10.198 159 2HB PHE 24 2HB PHE 24 7.802 1.109 9.715 160 HD1 PHE 24 1HD PHE 24 7.250 1.917 13.245 161 HD2 PHE 24 2HD PHE 24 5.540 0.249 9.738 162 HE1 PHE 24 1HE PHE 24 5.404 0.916 14.620 163 HE2 PHE 24 2HE PHE 24 3.696 -0.753 11.113 164 HZ PHE 24 HZ PHE 24 3.650 -0.407 13.539 165 H GLU 25 H GLU 25 9.640 3.811 9.700 166 HA GLU 25 HA GLU 25 10.930 2.607 7.752 167 1HB GLU 25 1HB GLU 25 10.616 5.144 8.280 168 2HB GLU 25 2HB GLU 25 12.189 5.049 9.045 169 1HG GLU 25 1HG GLU 25 13.234 4.296 6.960 170 2HG GLU 25 2HG GLU 25 11.673 4.134 6.179 171 H ARG 26 H ARG 26 12.585 3.645 10.825 172 HA ARG 26 HA ARG 26 15.046 2.773 10.319 173 1HB ARG 26 1HB ARG 26 15.125 2.205 12.862 174 2HB ARG 26 2HB ARG 26 14.674 3.839 12.418 175 1HG ARG 26 1HG ARG 26 12.209 2.573 12.391 176 2HG ARG 26 2HG ARG 26 13.029 1.696 13.667 177 1HD ARG 26 1HD ARG 26 13.453 4.625 13.828 178 2HD ARG 26 2HD ARG 26 11.766 4.172 13.953 179 HE ARG 26 HE ARG 26 12.206 3.090 16.003 180 1HH1 ARG 26 1HH1 ARG 26 15.225 3.971 14.424 181 2HH1 ARG 26 2HH1 ARG 26 16.200 3.626 15.814 182 1HH2 ARG 26 1HH2 ARG 26 13.493 2.632 17.835 183 2HH2 ARG 26 2HH2 ARG 26 15.208 2.859 17.767 184 H LYS 27 H LYS 27 12.317 0.777 11.654 185 HA LYS 27 HA LYS 27 13.605 -1.581 12.043 186 1HB LYS 27 1HB LYS 27 11.080 -0.778 12.304 187 2HB LYS 27 2HB LYS 27 10.889 -1.634 10.787 188 1HG LYS 27 1HG LYS 27 11.653 -3.712 11.734 189 2HG LYS 27 2HG LYS 27 12.311 -2.919 13.151 190 1HD LYS 27 1HD LYS 27 10.091 -2.391 13.995 191 2HD LYS 27 2HD LYS 27 9.336 -2.865 12.487 192 1HE LYS 27 1HE LYS 27 10.887 -5.114 13.360 193 2HE LYS 27 2HE LYS 27 10.028 -4.525 14.769 194 1HZ LYS 27 1HZ LYS 27 9.006 -5.864 12.524 195 2HZ LYS 27 2HZ LYS 27 8.270 -5.532 13.944 196 3HZ LYS 27 3HZ LYS 27 8.222 -4.446 12.725 197 H PHE 28 H PHE 28 11.828 -0.728 8.984 198 HA PHE 28 HA PHE 28 12.568 -2.811 7.464 199 1HB PHE 28 1HB PHE 28 11.160 -0.680 6.957 200 2HB PHE 28 2HB PHE 28 12.668 0.146 6.624 201 HD1 PHE 28 1HD PHE 28 10.366 -2.468 5.457 202 HD2 PHE 28 2HD PHE 28 13.872 -0.245 4.580 203 HE1 PHE 28 1HE PHE 28 10.278 -3.267 3.079 204 HE2 PHE 28 2HE PHE 28 13.784 -1.044 2.203 205 HZ PHE 28 HZ PHE 28 11.988 -2.546 1.481 206 H GLN 29 H GLN 29 14.418 0.328 7.517 207 HA GLN 29 HA GLN 29 16.479 -0.423 5.981 208 1HB GLN 29 1HB GLN 29 16.498 1.332 8.472 209 2HB GLN 29 2HB GLN 29 17.855 1.227 7.369 210 1HG GLN 29 1HG GLN 29 16.268 1.888 5.478 211 2HG GLN 29 2HG GLN 29 15.029 2.162 6.687 212 1HE2 GLN 29 1HE2 GLN 29 15.075 4.328 5.781 213 2HE2 GLN 29 2HE2 GLN 29 16.202 5.497 6.388 214 H SER 30 H SER 30 16.677 -0.487 9.619 215 HA SER 30 HA SER 30 18.977 -1.855 9.821 216 1HB SER 30 1HB SER 30 17.336 -0.876 11.632 217 2HB SER 30 2HB SER 30 16.665 -2.494 11.674 218 HG SER 30 HG SER 30 18.299 -3.071 12.916 219 H GLU 31 H GLU 31 15.657 -3.358 9.944 220 HA GLU 31 HA GLU 31 16.406 -5.940 10.027 221 1HB GLU 31 1HB GLU 31 14.052 -4.620 8.625 222 2HB GLU 31 2HB GLU 31 14.204 -6.362 8.735 223 1HG GLU 31 1HG GLU 31 14.570 -4.830 11.292 224 2HG GLU 31 2HG GLU 31 12.949 -4.857 10.627 225 H GLN 32 H GLN 32 16.494 -3.713 7.252 226 HA GLN 32 HA GLN 32 16.712 -5.646 5.270 227 1HB GLN 32 1HB GLN 32 16.388 -2.983 5.232 228 2HB GLN 32 2HB GLN 32 18.126 -2.999 5.001 229 1HG GLN 32 1HG GLN 32 17.902 -4.449 3.021 230 2HG GLN 32 2HG GLN 32 16.179 -4.617 3.292 231 1HE2 GLN 32 1HE2 GLN 32 16.557 -3.835 0.938 232 2HE2 GLN 32 2HE2 GLN 32 16.371 -2.135 0.666 233 H ALA 33 H ALA 33 19.302 -3.614 6.834 234 HA ALA 33 HA ALA 33 21.391 -5.119 5.667 235 1HB ALA 33 1HB ALA 33 22.404 -3.822 7.928 236 2HB ALA 33 2HB ALA 33 22.335 -3.164 6.276 237 3HB ALA 33 3HB ALA 33 21.028 -2.810 7.431 238 H ALA 34 H ALA 34 19.132 -5.864 8.096 239 HA ALA 34 HA ALA 34 20.876 -7.305 9.835 240 1HB ALA 34 1HB ALA 34 18.377 -6.258 10.056 241 2HB ALA 34 2HB ALA 34 17.973 -7.958 9.712 242 3HB ALA 34 3HB ALA 34 18.997 -7.552 11.110 243 H GLY 35 H GLY 35 18.935 -7.981 6.911 244 1HA GLY 35 1HA GLY 35 20.366 -10.092 5.989 245 2HA GLY 35 2HA GLY 35 19.254 -10.838 7.119 246 H SER 36 H SER 36 17.020 -8.986 6.774 247 HA SER 36 HA SER 36 16.332 -8.501 4.194 248 1HB SER 36 1HB SER 36 16.028 -11.362 4.940 249 2HB SER 36 2HB SER 36 14.590 -10.648 4.239 250 HG SER 36 HG SER 36 16.282 -9.777 2.565 251 H VAL 37 H VAL 37 14.618 -7.099 4.413 252 HA VAL 37 HA VAL 37 13.407 -6.698 6.888 253 HB VAL 37 HB VAL 37 12.686 -5.845 4.083 254 1HG1 VAL 37 1HG1 VAL 37 10.950 -5.809 6.253 255 2HG1 VAL 37 2HG1 VAL 37 11.644 -4.170 6.241 256 3HG1 VAL 37 3HG1 VAL 37 10.831 -4.803 4.789 257 1HG2 VAL 37 1HG2 VAL 37 13.507 -3.674 5.701 258 2HG2 VAL 37 2HG2 VAL 37 14.663 -4.994 6.001 259 3HG2 VAL 37 3HG2 VAL 37 14.380 -4.418 4.340 260 H SER 38 H SER 38 11.697 -7.637 7.904 261 HA SER 38 HA SER 38 10.597 -9.948 6.774 262 1HB SER 38 1HB SER 38 9.823 -8.304 9.221 263 2HB SER 38 2HB SER 38 9.072 -9.836 8.821 264 HG SER 38 HG SER 38 11.906 -9.428 9.281 265 H LYS 39 H LYS 39 8.272 -10.349 6.298 266 HA LYS 39 HA LYS 39 7.212 -8.565 4.509 267 1HB LYS 39 1HB LYS 39 5.759 -10.658 6.155 268 2HB LYS 39 2HB LYS 39 5.147 -9.903 4.698 269 1HG LYS 39 1HG LYS 39 7.221 -10.755 3.476 270 2HG LYS 39 2HG LYS 39 7.649 -11.639 4.927 271 1HD LYS 39 1HD LYS 39 4.892 -12.230 4.379 272 2HD LYS 39 2HD LYS 39 5.752 -12.370 2.859 273 1HE LYS 39 1HE LYS 39 7.515 -13.764 4.204 274 2HE LYS 39 2HE LYS 39 6.291 -13.862 5.454 275 1HZ LYS 39 1HZ LYS 39 6.143 -14.882 2.718 276 2HZ LYS 39 2HZ LYS 39 5.945 -15.699 4.119 277 3HZ LYS 39 3HZ LYS 39 4.791 -14.662 3.609 278 H SER 40 H SER 40 6.185 -9.096 7.956 279 HA SER 40 HA SER 40 4.240 -7.309 8.150 280 1HB SER 40 1HB SER 40 6.219 -8.459 9.973 281 2HB SER 40 2HB SER 40 5.776 -6.843 10.485 282 HG SER 40 HG SER 40 3.770 -8.783 9.760 283 H THR 41 H THR 41 7.692 -6.446 8.952 284 HA THR 41 HA THR 41 7.324 -3.723 9.117 285 HB THR 41 HB THR 41 9.739 -5.363 8.184 286 HG1 THR 41 1HG THR 41 10.052 -5.460 10.453 287 1HG2 THR 41 1HG2 THR 41 10.628 -3.241 7.882 288 2HG2 THR 41 2HG2 THR 41 9.345 -2.465 8.843 289 3HG2 THR 41 3HG2 THR 41 10.710 -3.263 9.660 290 H GLN 42 H GLN 42 8.025 -5.724 6.200 291 HA GLN 42 HA GLN 42 8.387 -3.623 4.477 292 1HB GLN 42 1HB GLN 42 8.755 -6.140 4.091 293 2HB GLN 42 2HB GLN 42 7.041 -6.254 3.747 294 1HG GLN 42 1HG GLN 42 7.206 -5.027 1.760 295 2HG GLN 42 2HG GLN 42 8.600 -4.117 2.305 296 1HE2 GLN 42 1HE2 GLN 42 8.111 -5.625 -0.162 297 2HE2 GLN 42 2HE2 GLN 42 9.392 -6.782 -0.315 298 H PHE 43 H PHE 43 5.355 -5.618 4.814 299 HA PHE 43 HA PHE 43 3.766 -3.921 3.323 300 1HB PHE 43 1HB PHE 43 2.913 -6.095 3.830 301 2HB PHE 43 2HB PHE 43 3.451 -6.016 5.496 302 HD1 PHE 43 1HD PHE 43 0.901 -4.674 3.157 303 HD2 PHE 43 2HD PHE 43 1.965 -5.393 7.202 304 HE1 PHE 43 1HE PHE 43 -1.422 -4.057 3.878 305 HE2 PHE 43 2HE PHE 43 -0.359 -4.777 7.922 306 HZ PHE 43 HZ PHE 43 -2.025 -4.116 6.253 307 H GLU 44 H GLU 44 4.634 -3.876 6.806 308 HA GLU 44 HA GLU 44 2.693 -2.050 7.573 309 1HB GLU 44 1HB GLU 44 5.394 -2.850 8.697 310 2HB GLU 44 2HB GLU 44 4.457 -1.580 9.461 311 1HG GLU 44 1HG GLU 44 2.566 -3.095 9.820 312 2HG GLU 44 2HG GLU 44 3.327 -4.353 8.864 313 H TYR 45 H TYR 45 6.256 -1.349 7.361 314 HA TYR 45 HA TYR 45 6.105 1.356 7.349 315 1HB TYR 45 1HB TYR 45 8.210 0.071 7.410 316 2HB TYR 45 2HB TYR 45 7.851 -0.700 5.877 317 HD1 TYR 45 1HD TYR 45 9.078 0.022 4.053 318 HD2 TYR 45 2HD TYR 45 8.243 2.800 7.200 319 HE1 TYR 45 1HE TYR 45 10.426 1.808 2.845 320 HE2 TYR 45 2HE TYR 45 9.595 4.576 5.981 321 HH TYR 45 HH TYR 45 11.754 3.974 3.744 322 H ALA 46 H ALA 46 5.665 -0.874 4.553 323 HA ALA 46 HA ALA 46 5.608 1.153 2.605 324 1HB ALA 46 1HB ALA 46 4.214 -1.545 2.508 325 2HB ALA 46 2HB ALA 46 4.851 -0.592 1.148 326 3HB ALA 46 3HB ALA 46 5.971 -1.352 2.303 327 H TRP 47 H TRP 47 3.049 -0.506 4.549 328 HA TRP 47 HA TRP 47 0.889 0.767 3.307 329 1HB TRP 47 1HB TRP 47 0.477 -1.189 4.547 330 2HB TRP 47 2HB TRP 47 1.274 -0.566 5.978 331 HD1 TRP 47 HD TRP 47 -0.513 -0.027 7.792 332 HE1 TRP 47 1HE TRP 47 -2.957 0.957 7.944 333 HE3 TRP 47 3HE TRP 47 -1.126 0.626 2.787 334 HZ2 TRP 47 2HZ TRP 47 -4.830 1.877 5.998 335 HZ3 TRP 47 3HZ TRP 47 -3.292 1.573 1.995 336 HH2 TRP 47 HH TRP 47 -5.108 2.191 3.511 337 H CYS 48 H CYS 48 3.258 1.736 5.768 338 HA CYS 48 HA CYS 48 1.769 3.870 6.828 339 1HB CYS 48 1HB CYS 48 4.757 3.344 6.788 340 2HB CYS 48 2HB CYS 48 4.003 4.650 7.679 341 HG CYS 48 HG CYS 48 4.416 1.627 8.376 342 H LEU 49 H LEU 49 4.069 3.444 4.092 343 HA LEU 49 HA LEU 49 4.371 6.164 3.497 344 1HB LEU 49 1HB LEU 49 4.718 3.624 1.919 345 2HB LEU 49 2HB LEU 49 4.993 5.201 1.205 346 HG LEU 49 HG LEU 49 6.423 4.234 3.692 347 1HD1 LEU 49 1HD1 LEU 49 8.168 4.314 1.440 348 2HD1 LEU 49 2HD1 LEU 49 7.718 2.925 2.461 349 3HD1 LEU 49 3HD1 LEU 49 6.756 3.317 1.015 350 1HD2 LEU 49 1HD2 LEU 49 7.224 6.436 1.780 351 2HD2 LEU 49 2HD2 LEU 49 6.254 6.715 3.246 352 3HD2 LEU 49 3HD2 LEU 49 7.904 6.060 3.382 353 H VAL 50 H VAL 50 2.368 3.663 1.770 354 HA VAL 50 HA VAL 50 1.008 5.324 0.124 355 HB VAL 50 HB VAL 50 -0.860 3.623 0.354 356 1HG1 VAL 50 1HG1 VAL 50 0.995 3.474 -1.294 357 2HG1 VAL 50 2HG1 VAL 50 1.931 2.523 -0.116 358 3HG1 VAL 50 3HG1 VAL 50 0.404 1.880 -0.765 359 1HG2 VAL 50 1HG2 VAL 50 -0.847 2.682 2.436 360 2HG2 VAL 50 2HG2 VAL 50 0.176 1.492 1.595 361 3HG2 VAL 50 3HG2 VAL 50 0.925 2.765 2.587 362 H ARG 51 H ARG 51 0.645 4.931 3.637 363 HA ARG 51 HA ARG 51 -1.816 6.350 3.662 364 1HB ARG 51 1HB ARG 51 0.005 5.072 5.675 365 2HB ARG 51 2HB ARG 51 -0.978 6.393 6.275 366 1HG ARG 51 1HG ARG 51 -3.036 5.280 5.455 367 2HG ARG 51 2HG ARG 51 -2.084 3.988 4.749 368 1HD ARG 51 1HD ARG 51 -2.988 3.262 6.925 369 2HD ARG 51 2HD ARG 51 -1.240 3.354 7.013 370 HE ARG 51 HE ARG 51 -1.960 5.857 7.862 371 1HH1 ARG 51 1HH1 ARG 51 -3.070 2.649 8.792 372 2HH1 ARG 51 2HH1 ARG 51 -3.461 3.115 10.414 373 1HH2 ARG 51 1HH2 ARG 51 -2.476 6.472 10.002 374 2HH2 ARG 51 2HH2 ARG 51 -3.121 5.304 11.107 375 H SER 52 H SER 52 1.669 7.005 4.159 376 HA SER 52 HA SER 52 1.749 9.274 5.497 377 1HB SER 52 1HB SER 52 3.651 8.062 4.297 378 2HB SER 52 2HB SER 52 3.201 8.925 2.840 379 HG SER 52 HG SER 52 3.562 10.946 4.021 380 H LYS 53 H LYS 53 1.873 11.629 4.815 381 HA LYS 53 HA LYS 53 -0.461 12.293 3.338 382 1HB LYS 53 1HB LYS 53 0.188 14.613 3.866 383 2HB LYS 53 2HB LYS 53 0.162 13.581 5.282 384 1HG LYS 53 1HG LYS 53 2.789 13.292 4.378 385 2HG LYS 53 2HG LYS 53 2.447 14.969 4.005 386 1HD LYS 53 1HD LYS 53 1.442 14.234 6.672 387 2HD LYS 53 2HD LYS 53 3.160 13.919 6.526 388 1HE LYS 53 1HE LYS 53 3.665 16.140 6.554 389 2HE LYS 53 2HE LYS 53 2.480 16.501 5.314 390 1HZ LYS 53 1HZ LYS 53 0.794 16.596 6.949 391 2HZ LYS 53 2HZ LYS 53 1.777 16.038 8.128 392 3HZ LYS 53 3HZ LYS 53 2.028 17.520 7.488 393 H TYR 54 H TYR 54 3.079 12.317 2.738 394 HA TYR 54 HA TYR 54 2.876 13.684 0.263 395 1HB TYR 54 1HB TYR 54 4.846 11.971 1.841 396 2HB TYR 54 2HB TYR 54 5.230 12.312 0.165 397 HD1 TYR 54 1HD TYR 54 4.509 13.930 3.442 398 HD2 TYR 54 2HD TYR 54 6.165 14.397 -0.475 399 HE1 TYR 54 1HE TYR 54 5.498 16.173 4.119 400 HE2 TYR 54 2HE TYR 54 7.148 16.638 0.215 401 HH TYR 54 HH TYR 54 6.219 18.413 2.402 402 H ASN 55 H ASN 55 3.172 12.829 -1.889 403 HA ASN 55 HA ASN 55 1.890 10.274 -2.140 404 1HB ASN 55 1HB ASN 55 1.809 10.850 -4.572 405 2HB ASN 55 2HB ASN 55 1.168 12.155 -3.594 406 1HD2 ASN 55 1HD2 ASN 55 2.082 14.110 -3.621 407 2HD2 ASN 55 2HD2 ASN 55 3.488 14.556 -4.528 408 H GLU 56 H GLU 56 4.986 11.968 -2.923 409 HA GLU 56 HA GLU 56 6.196 10.132 -4.477 410 1HB GLU 56 1HB GLU 56 7.154 12.145 -2.470 411 2HB GLU 56 2HB GLU 56 8.330 10.974 -3.030 412 1HG GLU 56 1HG GLU 56 7.687 11.573 -5.422 413 2HG GLU 56 2HG GLU 56 6.667 12.846 -4.779 414 H ASP 57 H ASP 57 5.420 9.912 -1.040 415 HA ASP 57 HA ASP 57 7.259 7.811 -0.548 416 1HB ASP 57 1HB ASP 57 4.967 9.102 0.950 417 2HB ASP 57 2HB ASP 57 5.600 7.576 1.533 418 H ILE 58 H ILE 58 3.730 8.215 -1.223 419 HA ILE 58 HA ILE 58 2.752 5.753 -0.720 420 HB ILE 58 HB ILE 58 2.170 7.611 -3.023 421 1HG1 ILE 58 1HG1 ILE 58 0.705 7.202 -0.401 422 2HG1 ILE 58 2HG1 ILE 58 1.869 8.480 -0.692 423 1HG2 ILE 58 1HG2 ILE 58 0.287 5.474 -2.046 424 2HG2 ILE 58 2HG2 ILE 58 0.244 6.413 -3.556 425 3HG2 ILE 58 3HG2 ILE 58 1.475 5.148 -3.331 426 1HD1 ILE 58 1HD1 ILE 58 -0.929 8.238 -1.619 427 2HD1 ILE 58 2HD1 ILE 58 0.080 9.691 -1.417 428 3HD1 ILE 58 3HD1 ILE 58 0.206 8.720 -2.904 429 H ARG 59 H ARG 59 4.592 6.779 -3.659 430 HA ARG 59 HA ARG 59 4.357 4.434 -5.026 431 1HB ARG 59 1HB ARG 59 5.445 6.716 -5.705 432 2HB ARG 59 2HB ARG 59 6.919 6.087 -4.996 433 1HG ARG 59 1HG ARG 59 7.166 4.416 -6.626 434 2HG ARG 59 2HG ARG 59 5.448 4.334 -6.960 435 1HD ARG 59 1HD ARG 59 6.123 6.975 -7.665 436 2HD ARG 59 2HD ARG 59 7.508 6.044 -8.197 437 HE ARG 59 HE ARG 59 4.862 5.999 -9.370 438 1HH1 ARG 59 1HH1 ARG 59 7.659 3.962 -8.725 439 2HH1 ARG 59 2HH1 ARG 59 7.335 2.882 -10.039 440 1HH2 ARG 59 1HH2 ARG 59 4.434 4.573 -11.104 441 2HH2 ARG 59 2HH2 ARG 59 5.488 3.231 -11.401 442 H ARG 60 H ARG 60 6.860 5.471 -2.613 443 HA ARG 60 HA ARG 60 8.407 3.197 -2.835 444 1HB ARG 60 1HB ARG 60 8.022 5.325 -0.714 445 2HB ARG 60 2HB ARG 60 9.000 3.925 -0.323 446 1HG ARG 60 1HG ARG 60 10.746 4.695 -1.555 447 2HG ARG 60 2HG ARG 60 9.729 4.939 -2.963 448 1HD ARG 60 1HD ARG 60 9.003 7.140 -2.123 449 2HD ARG 60 2HD ARG 60 9.851 6.887 -0.610 450 HE ARG 60 HE ARG 60 11.881 7.416 -1.670 451 1HH1 ARG 60 1HH1 ARG 60 9.400 6.836 -4.097 452 2HH1 ARG 60 2HH1 ARG 60 10.378 7.393 -5.414 453 1HH2 ARG 60 1HH2 ARG 60 13.171 8.151 -3.406 454 2HH2 ARG 60 2HH2 ARG 60 12.537 8.146 -5.018 455 H GLY 61 H GLY 61 5.231 3.606 -1.617 456 1HA GLY 61 1HA GLY 61 5.422 1.493 0.388 457 2HA GLY 61 2HA GLY 61 4.032 2.494 0.019 458 H ILE 62 H ILE 62 3.903 2.193 -2.826 459 HA ILE 62 HA ILE 62 2.449 -0.163 -3.016 460 HB ILE 62 HB ILE 62 3.670 1.585 -5.154 461 1HG1 ILE 62 1HG1 ILE 62 0.922 1.573 -3.872 462 2HG1 ILE 62 2HG1 ILE 62 2.162 2.793 -3.665 463 1HG2 ILE 62 1HG2 ILE 62 1.258 -0.014 -5.760 464 2HG2 ILE 62 2HG2 ILE 62 2.661 0.396 -6.777 465 3HG2 ILE 62 3HG2 ILE 62 2.774 -0.932 -5.596 466 1HD1 ILE 62 1HD1 ILE 62 2.002 2.723 -6.407 467 2HD1 ILE 62 2HD1 ILE 62 0.326 2.325 -5.962 468 3HD1 ILE 62 3HD1 ILE 62 1.066 3.838 -5.385 469 H VAL 63 H VAL 63 5.716 0.615 -4.414 470 HA VAL 63 HA VAL 63 6.397 -1.652 -5.580 471 HB VAL 63 HB VAL 63 7.998 0.005 -5.533 472 1HG1 VAL 63 1HG1 VAL 63 7.054 0.489 -2.903 473 2HG1 VAL 63 2HG1 VAL 63 8.811 0.235 -2.783 474 3HG1 VAL 63 3HG1 VAL 63 8.164 1.485 -3.873 475 1HG2 VAL 63 1HG2 VAL 63 9.147 -2.087 -5.440 476 2HG2 VAL 63 2HG2 VAL 63 10.020 -0.965 -4.369 477 3HG2 VAL 63 3HG2 VAL 63 8.940 -2.198 -3.675 478 H LEU 64 H LEU 64 6.958 -1.187 -2.012 479 HA LEU 64 HA LEU 64 7.621 -3.804 -1.486 480 1HB LEU 64 1HB LEU 64 6.079 -2.221 0.518 481 2HB LEU 64 2HB LEU 64 7.487 -3.242 0.734 482 HG LEU 64 HG LEU 64 7.386 -0.429 -0.366 483 1HD1 LEU 64 1HD1 LEU 64 7.650 0.000 1.815 484 2HD1 LEU 64 2HD1 LEU 64 8.128 -1.674 2.190 485 3HD1 LEU 64 3HD1 LEU 64 9.332 -0.525 1.559 486 1HD2 LEU 64 1HD2 LEU 64 9.636 -2.439 -0.508 487 2HD2 LEU 64 2HD2 LEU 64 8.914 -1.479 -1.822 488 3HD2 LEU 64 3HD2 LEU 64 9.906 -0.681 -0.578 489 H LEU 65 H LEU 65 4.364 -2.211 -1.342 490 HA LEU 65 HA LEU 65 2.942 -4.419 -0.521 491 1HB LEU 65 1HB LEU 65 2.431 -1.805 -1.587 492 2HB LEU 65 2HB LEU 65 1.348 -2.955 -2.346 493 HG LEU 65 HG LEU 65 0.294 -3.508 -0.346 494 1HD1 LEU 65 1HD1 LEU 65 1.486 -2.400 1.846 495 2HD1 LEU 65 2HD1 LEU 65 1.680 -4.088 1.317 496 3HD1 LEU 65 3HD1 LEU 65 2.898 -2.869 0.868 497 1HD2 LEU 65 1HD2 LEU 65 0.935 -0.616 -0.610 498 2HD2 LEU 65 2HD2 LEU 65 -0.630 -1.463 -0.675 499 3HD2 LEU 65 3HD2 LEU 65 0.145 -1.144 0.895 500 H GLU 66 H GLU 66 3.865 -3.380 -3.861 501 HA GLU 66 HA GLU 66 2.537 -5.555 -5.047 502 1HB GLU 66 1HB GLU 66 4.564 -3.510 -5.987 503 2HB GLU 66 2HB GLU 66 4.134 -4.853 -7.029 504 1HG GLU 66 1HG GLU 66 1.687 -4.216 -6.730 505 2HG GLU 66 2HG GLU 66 2.210 -2.798 -5.842 506 H GLU 67 H GLU 67 5.475 -5.257 -3.268 507 HA GLU 67 HA GLU 67 6.786 -7.392 -4.656 508 1HB GLU 67 1HB GLU 67 7.462 -5.628 -2.292 509 2HB GLU 67 2HB GLU 67 8.394 -7.084 -2.578 510 1HG GLU 67 1HG GLU 67 8.280 -5.956 -5.125 511 2HG GLU 67 2HG GLU 67 8.359 -4.536 -4.099 512 H LEU 68 H LEU 68 4.888 -6.837 -1.675 513 HA LEU 68 HA LEU 68 5.413 -9.493 -0.699 514 1HB LEU 68 1HB LEU 68 3.449 -7.416 0.275 515 2HB LEU 68 2HB LEU 68 3.948 -8.866 1.124 516 HG LEU 68 HG LEU 68 5.998 -6.810 0.335 517 1HD1 LEU 68 1HD1 LEU 68 5.180 -6.398 3.049 518 2HD1 LEU 68 2HD1 LEU 68 5.218 -5.244 1.694 519 3HD1 LEU 68 3HD1 LEU 68 3.766 -6.232 1.981 520 1HD2 LEU 68 1HD2 LEU 68 5.846 -8.694 2.702 521 2HD2 LEU 68 2HD2 LEU 68 6.704 -9.034 1.180 522 3HD2 LEU 68 3HD2 LEU 68 7.227 -7.683 2.215 523 H LEU 69 H LEU 69 3.138 -7.857 -2.813 524 HA LEU 69 HA LEU 69 0.848 -9.229 -2.591 525 1HB LEU 69 1HB LEU 69 2.258 -7.803 -4.652 526 2HB LEU 69 2HB LEU 69 1.419 -9.172 -5.355 527 HG LEU 69 HG LEU 69 -0.027 -7.289 -5.493 528 1HD1 LEU 69 1HD1 LEU 69 -0.725 -9.630 -4.061 529 2HD1 LEU 69 2HD1 LEU 69 -1.558 -8.266 -3.275 530 3HD1 LEU 69 3HD1 LEU 69 -1.778 -8.561 -5.018 531 1HD2 LEU 69 1HD2 LEU 69 0.540 -6.869 -2.551 532 2HD2 LEU 69 2HD2 LEU 69 0.921 -5.784 -3.910 533 3HD2 LEU 69 3HD2 LEU 69 -0.773 -6.053 -3.433 534 HA PRO 70 HA PRO 70 2.557 -12.964 -4.880 535 1HB PRO 70 1HB PRO 70 5.125 -13.014 -5.814 536 2HB PRO 70 2HB PRO 70 3.756 -12.538 -6.799 537 1HG PRO 70 1HG PRO 70 5.838 -10.835 -5.573 538 2HG PRO 70 2HG PRO 70 4.735 -10.451 -6.879 539 1HD PRO 70 1HD PRO 70 4.530 -9.588 -4.152 540 2HD PRO 70 2HD PRO 70 3.367 -9.302 -5.432 541 H LYS 71 H LYS 71 4.747 -11.364 -2.746 542 HA LYS 71 HA LYS 71 5.601 -13.940 -1.692 543 1HB LYS 71 1HB LYS 71 6.496 -11.128 -0.988 544 2HB LYS 71 2HB LYS 71 7.206 -12.615 -0.393 545 1HG LYS 71 1HG LYS 71 7.615 -13.265 -2.854 546 2HG LYS 71 2HG LYS 71 7.152 -11.630 -3.280 547 1HD LYS 71 1HD LYS 71 9.301 -11.007 -2.900 548 2HD LYS 71 2HD LYS 71 9.012 -11.274 -1.192 549 1HE LYS 71 1HE LYS 71 9.623 -13.711 -2.839 550 2HE LYS 71 2HE LYS 71 10.945 -12.589 -2.589 551 1HZ LYS 71 1HZ LYS 71 11.104 -13.835 -0.733 552 2HZ LYS 71 2HZ LYS 71 10.065 -12.717 -0.152 553 3HZ LYS 71 3HZ LYS 71 9.509 -14.173 -0.640 554 H GLY 72 H GLY 72 2.863 -13.577 -1.419 555 1HA GLY 72 1HA GLY 72 2.640 -13.497 1.480 556 2HA GLY 72 2HA GLY 72 1.723 -12.283 0.612 557 H SER 73 H SER 73 0.453 -14.272 2.184 558 HA SER 73 HA SER 73 -0.286 -16.475 0.624 559 1HB SER 73 1HB SER 73 -0.820 -15.425 3.272 560 2HB SER 73 2HB SER 73 -2.338 -15.903 2.539 561 HG SER 73 HG SER 73 -0.826 -17.921 1.921 562 H LYS 74 H LYS 74 -3.074 -16.650 0.705 563 HA LYS 74 HA LYS 74 -3.761 -14.812 -1.405 564 1HB LYS 74 1HB LYS 74 -4.395 -17.467 -0.767 565 2HB LYS 74 2HB LYS 74 -5.889 -16.585 -0.515 566 1HG LYS 74 1HG LYS 74 -6.169 -16.740 -2.772 567 2HG LYS 74 2HG LYS 74 -4.981 -15.458 -2.882 568 1HD LYS 74 1HD LYS 74 -3.693 -16.893 -4.083 569 2HD LYS 74 2HD LYS 74 -3.401 -17.757 -2.587 570 1HE LYS 74 1HE LYS 74 -6.009 -18.474 -3.747 571 2HE LYS 74 2HE LYS 74 -4.703 -18.765 -4.879 572 1HZ LYS 74 1HZ LYS 74 -5.170 -20.611 -3.339 573 2HZ LYS 74 2HZ LYS 74 -3.617 -20.109 -3.291 574 3HZ LYS 74 3HZ LYS 74 -4.646 -19.693 -2.094 575 H GLU 75 H GLU 75 -5.023 -15.703 1.879 576 HA GLU 75 HA GLU 75 -6.968 -13.726 1.883 577 1HB GLU 75 1HB GLU 75 -5.835 -15.671 3.758 578 2HB GLU 75 2HB GLU 75 -6.233 -14.171 4.574 579 1HG GLU 75 1HG GLU 75 -8.499 -14.371 3.165 580 2HG GLU 75 2HG GLU 75 -8.061 -16.066 3.089 581 H GLU 76 H GLU 76 -3.555 -13.486 2.008 582 HA GLU 76 HA GLU 76 -3.585 -11.109 3.632 583 1HB GLU 76 1HB GLU 76 -1.459 -12.866 2.413 584 2HB GLU 76 2HB GLU 76 -1.032 -11.217 2.828 585 1HG GLU 76 1HG GLU 76 -2.447 -12.075 5.086 586 2HG GLU 76 2HG GLU 76 -1.578 -13.519 4.604 587 H GLN 77 H GLN 77 -3.151 -12.139 0.215 588 HA GLN 77 HA GLN 77 -2.264 -9.772 -0.815 589 1HB GLN 77 1HB GLN 77 -3.847 -12.091 -1.904 590 2HB GLN 77 2HB GLN 77 -3.684 -10.663 -2.907 591 1HG GLN 77 1HG GLN 77 -1.149 -10.790 -2.487 592 2HG GLN 77 2HG GLN 77 -1.426 -12.353 -1.742 593 1HE2 GLN 77 1HE2 GLN 77 -0.042 -13.174 -3.399 594 2HE2 GLN 77 2HE2 GLN 77 -0.658 -13.549 -4.974 595 H ARG 78 H ARG 78 -5.477 -10.698 0.344 596 HA ARG 78 HA ARG 78 -6.926 -8.786 -1.041 597 1HB ARG 78 1HB ARG 78 -7.359 -10.290 1.567 598 2HB ARG 78 2HB ARG 78 -8.520 -9.085 1.045 599 1HG ARG 78 1HG ARG 78 -9.447 -10.936 0.004 600 2HG ARG 78 2HG ARG 78 -8.362 -10.430 -1.276 601 1HD ARG 78 1HD ARG 78 -7.085 -12.310 -1.075 602 2HD ARG 78 2HD ARG 78 -6.975 -12.146 0.666 603 HE ARG 78 HE ARG 78 -8.865 -13.548 0.923 604 1HH1 ARG 78 1HH1 ARG 78 -8.374 -12.743 -2.467 605 2HH1 ARG 78 2HH1 ARG 78 -9.494 -13.930 -3.045 606 1HH2 ARG 78 1HH2 ARG 78 -10.344 -15.115 0.162 607 2HH2 ARG 78 2HH2 ARG 78 -10.623 -15.290 -1.539 608 H ASP 79 H ASP 79 -4.988 -8.704 1.960 609 HA ASP 79 HA ASP 79 -6.016 -6.208 2.796 610 1HB ASP 79 1HB ASP 79 -4.973 -7.937 4.314 611 2HB ASP 79 2HB ASP 79 -3.421 -7.627 3.562 612 H TYR 80 H TYR 80 -3.447 -7.421 0.675 613 HA TYR 80 HA TYR 80 -1.849 -5.070 0.698 614 1HB TYR 80 1HB TYR 80 -2.276 -7.485 -1.163 615 2HB TYR 80 2HB TYR 80 -1.020 -6.300 -1.465 616 HD1 TYR 80 1HD TYR 80 -0.705 -6.068 1.786 617 HD2 TYR 80 2HD TYR 80 -0.421 -9.183 -1.132 618 HE1 TYR 80 1HE TYR 80 0.873 -7.358 3.306 619 HE2 TYR 80 2HE TYR 80 1.157 -10.462 0.396 620 HH TYR 80 HH TYR 80 1.665 -9.494 3.678 621 H VAL 81 H VAL 81 -3.684 -6.520 -2.081 622 HA VAL 81 HA VAL 81 -3.679 -4.450 -3.755 623 HB VAL 81 HB VAL 81 -6.057 -6.203 -3.109 624 1HG1 VAL 81 1HG1 VAL 81 -5.387 -4.448 -5.472 625 2HG1 VAL 81 2HG1 VAL 81 -6.456 -5.862 -5.640 626 3HG1 VAL 81 3HG1 VAL 81 -6.896 -4.541 -4.532 627 1HG2 VAL 81 1HG2 VAL 81 -4.915 -7.322 -5.299 628 2HG2 VAL 81 2HG2 VAL 81 -3.467 -6.704 -4.466 629 3HG2 VAL 81 3HG2 VAL 81 -4.565 -7.827 -3.628 630 H PHE 82 H PHE 82 -6.071 -4.878 -1.057 631 HA PHE 82 HA PHE 82 -7.654 -2.765 -1.386 632 1HB PHE 82 1HB PHE 82 -7.683 -4.378 0.529 633 2HB PHE 82 2HB PHE 82 -6.170 -3.730 1.130 634 HD1 PHE 82 1HD PHE 82 -6.918 -3.101 3.292 635 HD2 PHE 82 2HD PHE 82 -8.959 -1.666 -0.141 636 HE1 PHE 82 1HE PHE 82 -8.183 -1.475 4.725 637 HE2 PHE 82 2HE PHE 82 -10.223 -0.039 1.291 638 HZ PHE 82 HZ PHE 82 -9.821 0.037 3.707 639 H TYR 83 H TYR 83 -4.256 -2.662 -0.206 640 HA TYR 83 HA TYR 83 -4.417 0.181 0.263 641 1HB TYR 83 1HB TYR 83 -2.277 -2.028 0.281 642 2HB TYR 83 2HB TYR 83 -1.856 -0.359 0.612 643 HD1 TYR 83 1HD TYR 83 -5.059 -0.684 1.893 644 HD2 TYR 83 2HD TYR 83 -1.049 -1.939 2.697 645 HE1 TYR 83 1HE TYR 83 -5.649 -1.021 4.344 646 HE2 TYR 83 2HE TYR 83 -1.652 -2.273 5.145 647 HH TYR 83 HH TYR 83 -4.931 -2.172 6.223 648 H LEU 84 H LEU 84 -2.669 -2.060 -2.000 649 HA LEU 84 HA LEU 84 -1.218 -0.329 -3.433 650 1HB LEU 84 1HB LEU 84 -2.799 -2.749 -4.233 651 2HB LEU 84 2HB LEU 84 -1.905 -1.843 -5.437 652 HG LEU 84 HG LEU 84 0.121 -2.146 -3.818 653 1HD1 LEU 84 1HD1 LEU 84 -0.969 -3.007 -1.887 654 2HD1 LEU 84 2HD1 LEU 84 -1.779 -4.282 -2.829 655 3HD1 LEU 84 3HD1 LEU 84 -0.016 -4.337 -2.588 656 1HD2 LEU 84 1HD2 LEU 84 -0.169 -3.133 -6.093 657 2HD2 LEU 84 2HD2 LEU 84 0.777 -4.139 -4.971 658 3HD2 LEU 84 3HD2 LEU 84 -0.916 -4.556 -5.329 659 H ALA 85 H ALA 85 -4.778 -0.728 -3.548 660 HA ALA 85 HA ALA 85 -5.073 1.041 -5.768 661 1HB ALA 85 1HB ALA 85 -6.611 -0.888 -4.907 662 2HB ALA 85 2HB ALA 85 -7.236 0.336 -3.778 663 3HB ALA 85 3HB ALA 85 -7.365 0.598 -5.533 664 H VAL 86 H VAL 86 -5.492 1.260 -2.176 665 HA VAL 86 HA VAL 86 -6.433 3.839 -2.060 666 HB VAL 86 HB VAL 86 -4.815 2.087 -0.243 667 1HG1 VAL 86 1HG1 VAL 86 -4.029 4.410 0.145 668 2HG1 VAL 86 2HG1 VAL 86 -5.711 4.905 0.452 669 3HG1 VAL 86 3HG1 VAL 86 -4.914 3.739 1.537 670 1HG2 VAL 86 1HG2 VAL 86 -7.474 3.324 0.400 671 2HG2 VAL 86 2HG2 VAL 86 -7.396 1.976 -0.760 672 3HG2 VAL 86 3HG2 VAL 86 -6.794 1.757 0.900 673 H GLY 87 H GLY 87 -3.020 2.639 -2.169 674 1HA GLY 87 1HA GLY 87 -1.867 5.235 -2.033 675 2HA GLY 87 2HA GLY 87 -1.078 3.739 -2.493 676 H ASN 88 H ASN 88 -2.540 2.900 -4.735 677 HA ASN 88 HA ASN 88 -1.375 4.361 -6.720 678 1HB ASN 88 1HB ASN 88 -3.560 2.299 -6.559 679 2HB ASN 88 2HB ASN 88 -3.472 3.202 -8.059 680 1HD2 ASN 88 1HD2 ASN 88 -2.670 0.406 -6.856 681 2HD2 ASN 88 2HD2 ASN 88 -1.142 0.070 -7.600 682 H TYR 89 H TYR 89 -4.777 4.381 -5.445 683 HA TYR 89 HA TYR 89 -5.912 6.142 -7.223 684 1HB TYR 89 1HB TYR 89 -7.293 5.035 -5.589 685 2HB TYR 89 2HB TYR 89 -6.178 5.385 -4.283 686 HD1 TYR 89 1HD TYR 89 -6.640 7.133 -2.796 687 HD2 TYR 89 2HD TYR 89 -8.557 7.089 -6.620 688 HE1 TYR 89 1HE TYR 89 -8.081 9.108 -2.104 689 HE2 TYR 89 2HE TYR 89 -9.993 9.065 -5.914 690 HH TYR 89 HH TYR 89 -10.039 10.176 -2.627 691 H ARG 90 H ARG 90 -4.139 6.856 -4.141 692 HA ARG 90 HA ARG 90 -4.577 9.534 -4.106 693 1HB ARG 90 1HB ARG 90 -3.071 7.724 -2.630 694 2HB ARG 90 2HB ARG 90 -1.814 8.719 -3.337 695 1HG ARG 90 1HG ARG 90 -4.194 10.121 -2.129 696 2HG ARG 90 2HG ARG 90 -3.035 9.396 -1.033 697 1HD ARG 90 1HD ARG 90 -1.452 10.992 -1.466 698 2HD ARG 90 2HD ARG 90 -1.716 10.914 -3.197 699 HE ARG 90 HE ARG 90 -3.901 12.229 -1.746 700 1HH1 ARG 90 1HH1 ARG 90 -0.786 12.689 -3.316 701 2HH1 ARG 90 2HH1 ARG 90 -1.036 14.378 -3.604 702 1HH2 ARG 90 1HH2 ARG 90 -4.231 14.458 -2.124 703 2HH2 ARG 90 2HH2 ARG 90 -3.009 15.392 -2.921 704 H LEU 91 H LEU 91 -2.371 7.596 -6.115 705 HA LEU 91 HA LEU 91 -0.956 9.946 -7.038 706 1HB LEU 91 1HB LEU 91 -0.734 7.047 -7.860 707 2HB LEU 91 2HB LEU 91 0.334 8.343 -8.358 708 HG LEU 91 HG LEU 91 0.007 7.841 -5.427 709 1HD1 LEU 91 1HD1 LEU 91 2.063 6.226 -6.869 710 2HD1 LEU 91 2HD1 LEU 91 1.250 5.929 -5.314 711 3HD1 LEU 91 3HD1 LEU 91 0.385 5.635 -6.842 712 1HD2 LEU 91 1HD2 LEU 91 2.531 8.442 -6.962 713 2HD2 LEU 91 2HD2 LEU 91 1.377 9.719 -6.510 714 3HD2 LEU 91 3HD2 LEU 91 2.160 8.740 -5.247 715 H LYS 92 H LYS 92 -4.005 9.127 -7.449 716 HA LYS 92 HA LYS 92 -5.523 9.512 -9.006 717 1HB LYS 92 1HB LYS 92 -3.246 10.857 -10.489 718 2HB LYS 92 2HB LYS 92 -4.930 10.943 -10.961 719 1HG LYS 92 1HG LYS 92 -4.934 11.592 -8.204 720 2HG LYS 92 2HG LYS 92 -3.522 12.408 -8.845 721 1HD LYS 92 1HD LYS 92 -4.777 13.757 -10.298 722 2HD LYS 92 2HD LYS 92 -6.085 12.597 -10.424 723 1HE LYS 92 1HE LYS 92 -6.818 13.115 -8.114 724 2HE LYS 92 2HE LYS 92 -5.454 14.194 -7.895 725 1HZ LYS 92 1HZ LYS 92 -7.876 14.611 -9.375 726 2HZ LYS 92 2HZ LYS 92 -6.931 15.691 -8.596 727 3HZ LYS 92 3HZ LYS 92 -6.525 15.184 -10.094 728 H GLU 93 H GLU 93 -3.410 7.168 -9.030 729 HA GLU 93 HA GLU 93 -3.585 6.373 -11.773 730 1HB GLU 93 1HB GLU 93 -2.392 5.118 -9.275 731 2HB GLU 93 2HB GLU 93 -2.469 4.240 -10.791 732 1HG GLU 93 1HG GLU 93 -1.262 7.029 -10.657 733 2HG GLU 93 2HG GLU 93 -0.307 5.614 -10.266 734 H TYR 94 H TYR 94 -6.087 6.578 -11.545 735 HA TYR 94 HA TYR 94 -7.555 4.794 -10.013 736 1HB TYR 94 1HB TYR 94 -8.119 5.771 -12.875 737 2HB TYR 94 2HB TYR 94 -9.318 5.429 -11.643 738 HD1 TYR 94 1HD TYR 94 -7.580 6.878 -9.408 739 HD2 TYR 94 2HD TYR 94 -9.023 8.006 -13.275 740 HE1 TYR 94 1HE TYR 94 -7.555 9.323 -8.713 741 HE2 TYR 94 2HE TYR 94 -8.994 10.448 -12.566 742 HH TYR 94 HH TYR 94 -8.061 11.353 -9.261 743 H GLU 95 H GLU 95 -6.445 4.503 -13.462 744 HA GLU 95 HA GLU 95 -7.559 2.223 -14.176 745 1HB GLU 95 1HB GLU 95 -4.705 3.168 -14.622 746 2HB GLU 95 2HB GLU 95 -5.327 1.731 -15.409 747 1HG GLU 95 1HG GLU 95 -6.613 4.496 -15.597 748 2HG GLU 95 2HG GLU 95 -5.552 3.814 -16.812 749 H LYS 96 H LYS 96 -4.261 2.242 -12.627 750 HA LYS 96 HA LYS 96 -4.233 -0.500 -12.152 751 1HB LYS 96 1HB LYS 96 -2.744 1.699 -10.686 752 2HB LYS 96 2HB LYS 96 -2.332 -0.005 -10.686 753 1HG LYS 96 1HG LYS 96 -2.590 1.508 -13.307 754 2HG LYS 96 2HG LYS 96 -1.112 1.608 -12.372 755 1HD LYS 96 1HD LYS 96 -1.293 -1.048 -12.330 756 2HD LYS 96 2HD LYS 96 -2.342 -0.812 -13.714 757 1HE LYS 96 1HE LYS 96 -0.440 0.673 -14.694 758 2HE LYS 96 2HE LYS 96 0.578 0.006 -13.433 759 1HZ LYS 96 1HZ LYS 96 0.593 -1.990 -14.416 760 2HZ LYS 96 2HZ LYS 96 -0.947 -1.905 -14.952 761 3HZ LYS 96 3HZ LYS 96 0.244 -1.142 -15.768 762 H ALA 97 H ALA 97 -5.056 2.264 -9.947 763 HA ALA 97 HA ALA 97 -5.567 0.939 -7.663 764 1HB ALA 97 1HB ALA 97 -5.757 3.397 -8.069 765 2HB ALA 97 2HB ALA 97 -7.315 3.115 -8.880 766 3HB ALA 97 3HB ALA 97 -7.133 2.740 -7.149 767 H LEU 98 H LEU 98 -8.059 1.521 -10.254 768 HA LEU 98 HA LEU 98 -10.011 -0.064 -9.120 769 1HB LEU 98 1HB LEU 98 -9.449 1.168 -11.719 770 2HB LEU 98 2HB LEU 98 -10.431 -0.279 -11.828 771 HG LEU 98 HG LEU 98 -11.873 1.632 -11.710 772 1HD1 LEU 98 1HD1 LEU 98 -11.901 -0.465 -9.736 773 2HD1 LEU 98 2HD1 LEU 98 -12.621 1.018 -9.063 774 3HD1 LEU 98 3HD1 LEU 98 -13.258 0.325 -10.574 775 1HD2 LEU 98 1HD2 LEU 98 -11.849 3.006 -9.512 776 2HD2 LEU 98 2HD2 LEU 98 -10.179 2.413 -9.350 777 3HD2 LEU 98 3HD2 LEU 98 -10.650 3.369 -10.777 778 H LYS 99 H LYS 99 -7.723 -0.962 -11.803 779 HA LYS 99 HA LYS 99 -8.357 -3.535 -12.135 780 1HB LYS 99 1HB LYS 99 -6.152 -1.872 -12.713 781 2HB LYS 99 2HB LYS 99 -5.476 -3.316 -11.987 782 1HG LYS 99 1HG LYS 99 -5.708 -4.288 -14.030 783 2HG LYS 99 2HG LYS 99 -7.422 -4.373 -13.679 784 1HD LYS 99 1HD LYS 99 -7.753 -2.128 -14.729 785 2HD LYS 99 2HD LYS 99 -6.036 -2.029 -15.068 786 1HE LYS 99 1HE LYS 99 -6.141 -3.925 -16.594 787 2HE LYS 99 2HE LYS 99 -7.778 -4.311 -16.101 788 1HZ LYS 99 1HZ LYS 99 -8.612 -2.600 -17.290 789 2HZ LYS 99 2HZ LYS 99 -7.289 -1.653 -17.141 790 3HZ LYS 99 3HZ LYS 99 -7.291 -2.890 -18.207 791 H TYR 100 H TYR 100 -6.863 -2.086 -9.266 792 HA TYR 100 HA TYR 100 -6.341 -4.720 -8.142 793 1HB TYR 100 1HB TYR 100 -5.639 -1.825 -7.750 794 2HB TYR 100 2HB TYR 100 -5.862 -2.692 -6.243 795 HD1 TYR 100 1HD TYR 100 -3.305 -1.436 -7.703 796 HD2 TYR 100 2HD TYR 100 -4.799 -5.403 -7.122 797 HE1 TYR 100 1HE TYR 100 -0.943 -2.360 -7.880 798 HE2 TYR 100 2HE TYR 100 -2.432 -6.313 -7.301 799 HH TYR 100 HH TYR 100 0.046 -4.647 -8.591 800 H VAL 101 H VAL 101 -8.466 -1.845 -7.713 801 HA VAL 101 HA VAL 101 -9.641 -2.766 -5.322 802 HB VAL 101 HB VAL 101 -9.813 -0.535 -7.124 803 1HG1 VAL 101 1HG1 VAL 101 -12.467 -1.680 -6.196 804 2HG1 VAL 101 2HG1 VAL 101 -12.236 -0.012 -6.772 805 3HG1 VAL 101 3HG1 VAL 101 -11.944 -1.381 -7.871 806 1HG2 VAL 101 1HG2 VAL 101 -9.199 -0.537 -4.694 807 2HG2 VAL 101 2HG2 VAL 101 -10.438 0.663 -5.131 808 3HG2 VAL 101 3HG2 VAL 101 -10.910 -0.845 -4.312 809 H ARG 102 H ARG 102 -10.336 -3.218 -8.812 810 HA ARG 102 HA ARG 102 -12.831 -4.400 -8.366 811 1HB ARG 102 1HB ARG 102 -10.944 -4.757 -10.751 812 2HB ARG 102 2HB ARG 102 -12.666 -5.086 -10.751 813 1HG ARG 102 1HG ARG 102 -11.435 -2.343 -10.205 814 2HG ARG 102 2HG ARG 102 -12.073 -2.849 -11.757 815 1HD ARG 102 1HD ARG 102 -14.009 -3.338 -9.594 816 2HD ARG 102 2HD ARG 102 -13.528 -1.654 -9.652 817 HE ARG 102 HE ARG 102 -14.488 -1.449 -11.817 818 1HH1 ARG 102 1HH1 ARG 102 -14.575 -4.786 -10.705 819 2HH1 ARG 102 2HH1 ARG 102 -15.680 -5.302 -11.936 820 1HH2 ARG 102 1HH2 ARG 102 -15.946 -2.128 -13.441 821 2HH2 ARG 102 2HH2 ARG 102 -16.464 -3.779 -13.502 822 H GLY 103 H GLY 103 -9.539 -5.735 -9.159 823 1HA GLY 103 1HA GLY 103 -10.250 -8.446 -9.080 824 2HA GLY 103 2HA GLY 103 -8.643 -7.777 -8.881 825 H LEU 104 H LEU 104 -10.045 -6.077 -6.545 826 HA LEU 104 HA LEU 104 -9.483 -8.124 -4.544 827 1HB LEU 104 1HB LEU 104 -8.197 -6.072 -4.435 828 2HB LEU 104 2HB LEU 104 -9.663 -5.114 -4.372 829 HG LEU 104 HG LEU 104 -8.442 -5.443 -2.187 830 1HD1 LEU 104 1HD1 LEU 104 -11.260 -5.527 -2.766 831 2HD1 LEU 104 2HD1 LEU 104 -10.917 -6.441 -1.278 832 3HD1 LEU 104 3HD1 LEU 104 -10.400 -4.744 -1.417 833 1HD2 LEU 104 1HD2 LEU 104 -9.587 -8.244 -2.348 834 2HD2 LEU 104 2HD2 LEU 104 -7.866 -7.823 -2.523 835 3HD2 LEU 104 3HD2 LEU 104 -8.703 -7.525 -0.980 836 H LEU 105 H LEU 105 -12.059 -6.161 -5.956 837 HA LEU 105 HA LEU 105 -13.860 -6.572 -3.778 838 1HB LEU 105 1HB LEU 105 -13.925 -5.304 -6.464 839 2HB LEU 105 2HB LEU 105 -15.455 -5.833 -5.795 840 HG LEU 105 HG LEU 105 -13.546 -4.024 -4.300 841 1HD1 LEU 105 1HD1 LEU 105 -15.925 -3.183 -5.976 842 2HD1 LEU 105 2HD1 LEU 105 -14.859 -2.126 -5.019 843 3HD1 LEU 105 3HD1 LEU 105 -14.219 -2.985 -6.442 844 1HD2 LEU 105 1HD2 LEU 105 -14.999 -4.959 -2.740 845 2HD2 LEU 105 2HD2 LEU 105 -15.777 -3.414 -3.158 846 3HD2 LEU 105 3HD2 LEU 105 -16.382 -4.934 -3.861 847 H GLN 106 H GLN 106 -13.074 -8.165 -6.886 848 HA GLN 106 HA GLN 106 -15.258 -9.735 -7.173 849 1HB GLN 106 1HB GLN 106 -13.953 -11.036 -8.634 850 2HB GLN 106 2HB GLN 106 -13.095 -9.508 -8.616 851 1HG GLN 106 1HG GLN 106 -11.562 -10.421 -6.833 852 2HG GLN 106 2HG GLN 106 -12.394 -11.959 -6.931 853 1HE2 GLN 106 1HE2 GLN 106 -10.396 -12.904 -7.491 854 2HE2 GLN 106 2HE2 GLN 106 -9.767 -12.828 -9.104 855 H THR 107 H THR 107 -12.374 -10.278 -5.065 856 HA THR 107 HA THR 107 -13.613 -12.703 -4.013 857 HB THR 107 HB THR 107 -11.179 -12.630 -4.698 858 HG1 THR 107 1HG THR 107 -11.660 -12.748 -1.806 859 1HG2 THR 107 1HG2 THR 107 -9.732 -11.059 -3.874 860 2HG2 THR 107 2HG2 THR 107 -11.161 -10.166 -3.298 861 3HG2 THR 107 3HG2 THR 107 -10.327 -11.306 -2.214 862 H GLU 108 H GLU 108 -13.336 -9.303 -3.332 863 HA GLU 108 HA GLU 108 -14.522 -9.874 -0.736 864 1HB GLU 108 1HB GLU 108 -12.575 -7.581 -1.218 865 2HB GLU 108 2HB GLU 108 -13.253 -8.090 0.315 866 1HG GLU 108 1HG GLU 108 -11.647 -10.060 -1.341 867 2HG GLU 108 2HG GLU 108 -10.813 -8.863 -0.371 868 HA PRO 109 HA PRO 109 -17.015 -7.004 -3.256 869 1HB PRO 109 1HB PRO 109 -19.317 -8.475 -3.370 870 2HB PRO 109 2HB PRO 109 -18.102 -8.497 -4.633 871 1HG PRO 109 1HG PRO 109 -18.682 -10.546 -2.583 872 2HG PRO 109 2HG PRO 109 -17.792 -10.715 -4.082 873 1HD PRO 109 1HD PRO 109 -16.686 -10.528 -1.442 874 2HD PRO 109 2HD PRO 109 -15.795 -10.579 -2.951 875 H GLN 110 H GLN 110 -17.687 -8.809 -0.372 876 HA GLN 110 HA GLN 110 -19.726 -7.036 0.449 877 1HB GLN 110 1HB GLN 110 -19.368 -8.230 2.694 878 2HB GLN 110 2HB GLN 110 -19.829 -9.241 1.340 879 1HG GLN 110 1HG GLN 110 -17.627 -10.115 1.074 880 2HG GLN 110 2HG GLN 110 -16.893 -8.800 1.970 881 1HE2 GLN 110 1HE2 GLN 110 -16.824 -11.753 2.276 882 2HE2 GLN 110 2HE2 GLN 110 -17.269 -12.087 3.917 883 H ASN 111 H ASN 111 -16.261 -6.925 0.399 884 HA ASN 111 HA ASN 111 -15.745 -5.521 2.703 885 1HB ASN 111 1HB ASN 111 -13.966 -6.460 1.255 886 2HB ASN 111 2HB ASN 111 -14.406 -5.376 -0.049 887 1HD2 ASN 111 1HD2 ASN 111 -11.891 -5.732 1.422 888 2HD2 ASN 111 2HD2 ASN 111 -11.450 -4.184 2.061 889 H ASN 112 H ASN 112 -16.676 -3.552 3.287 890 HA ASN 112 HA ASN 112 -17.983 -1.946 1.430 891 1HB ASN 112 1HB ASN 112 -16.942 -1.063 4.167 892 2HB ASN 112 2HB ASN 112 -18.324 -0.412 3.309 893 1HD2 ASN 112 1HD2 ASN 112 -18.894 -1.079 5.723 894 2HD2 ASN 112 2HD2 ASN 112 -19.739 -2.583 5.873 895 H GLN 113 H GLN 113 -14.883 -1.570 3.310 896 HA GLN 113 HA GLN 113 -14.078 0.839 2.539 897 1HB GLN 113 1HB GLN 113 -12.423 -1.706 2.783 898 2HB GLN 113 2HB GLN 113 -11.701 -0.117 2.627 899 1HG GLN 113 1HG GLN 113 -12.576 0.627 4.718 900 2HG GLN 113 2HG GLN 113 -13.792 -0.633 4.766 901 1HE2 GLN 113 1HE2 GLN 113 -13.338 -2.602 5.576 902 2HE2 GLN 113 2HE2 GLN 113 -11.832 -3.061 6.295 903 H ALA 114 H ALA 114 -13.736 -2.202 0.604 904 HA ALA 114 HA ALA 114 -12.427 -0.917 -1.552 905 1HB ALA 114 1HB ALA 114 -12.418 -3.031 -2.509 906 2HB ALA 114 2HB ALA 114 -12.601 -3.450 -0.788 907 3HB ALA 114 3HB ALA 114 -14.022 -3.448 -1.860 908 H LYS 115 H LYS 115 -15.840 -1.955 -0.910 909 HA LYS 115 HA LYS 115 -17.025 -1.400 -3.242 910 1HB LYS 115 1HB LYS 115 -17.865 -1.128 -0.391 911 2HB LYS 115 2HB LYS 115 -18.912 -0.426 -1.607 912 1HG LYS 115 1HG LYS 115 -18.605 -2.747 -2.847 913 2HG LYS 115 2HG LYS 115 -18.086 -3.325 -1.277 914 1HD LYS 115 1HD LYS 115 -20.197 -3.119 -0.339 915 2HD LYS 115 2HD LYS 115 -20.605 -1.705 -1.290 916 1HE LYS 115 1HE LYS 115 -20.947 -3.113 -3.302 917 2HE LYS 115 2HE LYS 115 -20.440 -4.540 -2.420 918 1HZ LYS 115 1HZ LYS 115 -22.729 -2.881 -1.624 919 2HZ LYS 115 2HZ LYS 115 -22.857 -4.226 -2.542 920 3HZ LYS 115 3HZ LYS 115 -22.309 -4.335 -1.008 921 H GLU 116 H GLU 116 -16.756 1.124 -0.636 922 HA GLU 116 HA GLU 116 -17.523 3.211 -2.178 923 1HB GLU 116 1HB GLU 116 -15.815 2.910 0.271 924 2HB GLU 116 2HB GLU 116 -15.783 4.470 -0.526 925 1HG GLU 116 1HG GLU 116 -18.524 3.401 -0.273 926 2HG GLU 116 2HG GLU 116 -17.736 3.576 1.282 927 H LEU 117 H LEU 117 -14.113 2.104 -1.558 928 HA LEU 117 HA LEU 117 -12.676 3.872 -2.917 929 1HB LEU 117 1HB LEU 117 -12.391 1.184 -2.097 930 2HB LEU 117 2HB LEU 117 -11.822 1.259 -3.753 931 HG LEU 117 HG LEU 117 -10.836 2.976 -1.458 932 1HD1 LEU 117 1HD1 LEU 117 -9.709 1.100 -0.956 933 2HD1 LEU 117 2HD1 LEU 117 -9.989 0.373 -2.557 934 3HD1 LEU 117 3HD1 LEU 117 -8.682 1.561 -2.334 935 1HD2 LEU 117 1HD2 LEU 117 -10.805 4.149 -3.640 936 2HD2 LEU 117 2HD2 LEU 117 -9.179 3.858 -2.975 937 3HD2 LEU 117 3HD2 LEU 117 -9.794 2.841 -4.300 938 H GLU 118 H GLU 118 -14.114 0.965 -4.571 939 HA GLU 118 HA GLU 118 -13.503 1.521 -7.079 940 1HB GLU 118 1HB GLU 118 -15.081 -0.308 -5.970 941 2HB GLU 118 2HB GLU 118 -16.369 0.752 -6.506 942 1HG GLU 118 1HG GLU 118 -14.511 0.503 -8.689 943 2HG GLU 118 2HG GLU 118 -14.800 -1.111 -8.070 944 H ARG 119 H ARG 119 -16.138 3.089 -5.183 945 HA ARG 119 HA ARG 119 -17.000 4.595 -7.414 946 1HB ARG 119 1HB ARG 119 -17.624 4.550 -4.449 947 2HB ARG 119 2HB ARG 119 -18.168 5.918 -5.399 948 1HG ARG 119 1HG ARG 119 -19.193 4.196 -7.037 949 2HG ARG 119 2HG ARG 119 -18.876 2.983 -5.812 950 1HD ARG 119 1HD ARG 119 -20.125 5.002 -4.340 951 2HD ARG 119 2HD ARG 119 -20.961 5.089 -5.877 952 HE ARG 119 HE ARG 119 -20.777 2.340 -5.184 953 1HH1 ARG 119 1HH1 ARG 119 -22.328 5.263 -3.987 954 2HH1 ARG 119 2HH1 ARG 119 -23.657 4.417 -3.268 955 1HH2 ARG 119 1HH2 ARG 119 -22.530 1.222 -4.235 956 2HH2 ARG 119 2HH2 ARG 119 -23.773 2.103 -3.409 957 H LEU 120 H LEU 120 -15.267 5.354 -4.302 958 HA LEU 120 HA LEU 120 -14.864 7.975 -4.475 959 1HB LEU 120 1HB LEU 120 -13.007 5.762 -3.659 960 2HB LEU 120 2HB LEU 120 -12.498 7.436 -3.567 961 HG LEU 120 HG LEU 120 -13.626 6.137 -1.524 962 1HD1 LEU 120 1HD1 LEU 120 -13.866 8.195 -0.454 963 2HD1 LEU 120 2HD1 LEU 120 -12.674 8.520 -1.735 964 3HD1 LEU 120 3HD1 LEU 120 -14.366 9.026 -1.947 965 1HD2 LEU 120 1HD2 LEU 120 -15.730 5.605 -2.434 966 2HD2 LEU 120 2HD2 LEU 120 -16.022 6.983 -1.344 967 3HD2 LEU 120 3HD2 LEU 120 -15.950 7.240 -3.103 968 H ILE 121 H ILE 121 -12.978 5.494 -6.321 969 HA ILE 121 HA ILE 121 -11.456 7.476 -7.674 970 HB ILE 121 HB ILE 121 -11.890 4.544 -8.249 971 1HG1 ILE 121 1HG1 ILE 121 -9.301 5.284 -7.175 972 2HG1 ILE 121 2HG1 ILE 121 -10.582 5.789 -6.090 973 1HG2 ILE 121 1HG2 ILE 121 -11.081 5.401 -10.256 974 2HG2 ILE 121 2HG2 ILE 121 -10.042 6.596 -9.445 975 3HG2 ILE 121 3HG2 ILE 121 -9.610 4.870 -9.408 976 1HD1 ILE 121 1HD1 ILE 121 -9.540 3.227 -6.227 977 2HD1 ILE 121 2HD1 ILE 121 -11.126 3.644 -5.534 978 3HD1 ILE 121 3HD1 ILE 121 -11.011 3.084 -7.220 979 H ASP 122 H ASP 122 -14.339 5.449 -8.480 980 HA ASP 122 HA ASP 122 -14.620 6.096 -11.071 981 1HB ASP 122 1HB ASP 122 -16.102 4.678 -9.388 982 2HB ASP 122 2HB ASP 122 -17.028 6.157 -9.228 983 H LYS 123 H LYS 123 -15.115 8.093 -8.176 984 HA LYS 123 HA LYS 123 -16.511 10.151 -9.667 985 1HB LYS 123 1HB LYS 123 -15.897 9.621 -6.780 986 2HB LYS 123 2HB LYS 123 -16.226 11.267 -7.280 987 1HG LYS 123 1HG LYS 123 -18.427 10.760 -7.991 988 2HG LYS 123 2HG LYS 123 -18.079 9.055 -8.198 989 1HD LYS 123 1HD LYS 123 -19.259 8.968 -6.194 990 2HD LYS 123 2HD LYS 123 -17.632 9.136 -5.567 991 1HE LYS 123 1HE LYS 123 -18.004 11.271 -4.789 992 2HE LYS 123 2HE LYS 123 -18.956 11.728 -6.187 993 1HZ LYS 123 1HZ LYS 123 -19.935 11.140 -3.755 994 2HZ LYS 123 2HZ LYS 123 -20.810 11.194 -5.133 995 3HZ LYS 123 3HZ LYS 123 -20.239 9.766 -4.583 996 H ALA 124 H ALA 124 -13.338 9.535 -8.066 997 HA ALA 124 HA ALA 124 -12.279 12.079 -8.489 998 1HB ALA 124 1HB ALA 124 -11.460 9.524 -7.485 999 2HB ALA 124 2HB ALA 124 -10.232 10.077 -8.649 1000 3HB ALA 124 3HB ALA 124 -10.671 11.105 -7.264 1001 H MET 125 H MET 125 -12.770 9.288 -10.625 1002 HA MET 125 HA MET 125 -10.915 9.835 -12.549 1003 1HB MET 125 1HB MET 125 -13.756 8.704 -12.669 1004 2HB MET 125 2HB MET 125 -12.731 8.739 -14.089 1005 1HG MET 125 1HG MET 125 -11.343 7.628 -11.724 1006 2HG MET 125 2HG MET 125 -12.778 6.715 -12.150 1007 1HE MET 125 1HE MET 125 -11.182 4.980 -12.217 1008 2HE MET 125 2HE MET 125 -11.732 4.356 -13.790 1009 3HE MET 125 3HE MET 125 -9.997 4.624 -13.497 1010 H LYS 126 H LYS 126 -14.349 11.012 -12.348 1011 HA LYS 126 HA LYS 126 -13.647 13.010 -14.376 1012 1HB LYS 126 1HB LYS 126 -16.347 13.146 -14.199 1013 2HB LYS 126 2HB LYS 126 -15.480 12.125 -15.329 1014 1HG LYS 126 1HG LYS 126 -17.137 10.748 -14.195 1015 2HG LYS 126 2HG LYS 126 -15.550 10.247 -13.642 1016 1HD LYS 126 1HD LYS 126 -16.757 10.415 -11.624 1017 2HD LYS 126 2HD LYS 126 -15.913 11.950 -11.684 1018 1HE LYS 126 1HE LYS 126 -17.943 13.036 -12.660 1019 2HE LYS 126 2HE LYS 126 -18.787 11.501 -12.627 1020 1HZ LYS 126 1HZ LYS 126 -19.416 12.275 -10.640 1021 2HZ LYS 126 2HZ LYS 126 -17.993 11.660 -10.125 1022 3HZ LYS 126 3HZ LYS 126 -18.124 13.256 -10.448 1023 H LYS 127 H LYS 127 -12.431 13.801 -12.228 1024 HA LYS 127 HA LYS 127 -14.213 15.835 -11.131 1025 1HB LYS 127 1HB LYS 127 -12.924 13.646 -9.626 1026 2HB LYS 127 2HB LYS 127 -12.645 15.241 -8.959 1027 1HG LYS 127 1HG LYS 127 -15.024 15.693 -8.790 1028 2HG LYS 127 2HG LYS 127 -15.428 14.290 -9.760 1029 1HD LYS 127 1HD LYS 127 -15.062 12.790 -8.016 1030 2HD LYS 127 2HD LYS 127 -13.816 13.778 -7.278 1031 1HE LYS 127 1HE LYS 127 -15.412 15.247 -6.260 1032 2HE LYS 127 2HE LYS 127 -16.708 14.716 -7.313 1033 1HZ LYS 127 1HZ LYS 127 -15.624 12.546 -5.885 1034 2HZ LYS 127 2HZ LYS 127 -16.102 13.720 -4.855 1035 3HZ LYS 127 3HZ LYS 127 -17.165 13.088 -5.922 1036 H SER 128 H SER 128 -12.948 16.822 -13.050 1037 HA SER 128 HA SER 128 -10.349 17.674 -12.034 1038 1HB SER 128 1HB SER 128 -11.269 16.817 -14.713 1039 2HB SER 128 2HB SER 128 -10.371 18.322 -14.744 1040 HG SER 128 HG SER 128 -9.513 15.711 -13.961 1041 H GLY 129 H GLY 129 -9.731 19.976 -12.787 1042 1HA GLY 129 1HA GLY 129 -11.991 21.724 -12.260 1043 2HA GLY 129 2HA GLY 129 -10.293 22.153 -12.325 1044 HA PRO 130 HA PRO 130 -11.522 23.784 -16.224 1045 1HB PRO 130 1HB PRO 130 -9.340 25.384 -16.610 1046 2HB PRO 130 2HB PRO 130 -10.758 25.896 -15.716 1047 1HG PRO 130 1HG PRO 130 -8.104 25.097 -14.687 1048 2HG PRO 130 2HG PRO 130 -9.369 26.000 -13.877 1049 1HD PRO 130 1HD PRO 130 -8.703 23.240 -13.473 1050 2HD PRO 130 2HD PRO 130 -10.040 24.113 -12.750 1051 H SER 131 H SER 131 -11.255 23.269 -18.364 1052 HA SER 131 HA SER 131 -8.814 22.448 -19.343 1053 1HB SER 131 1HB SER 131 -10.243 20.375 -17.874 1054 2HB SER 131 2HB SER 131 -10.109 19.923 -19.561 1055 HG SER 131 HG SER 131 -7.986 19.638 -19.353 1056 H SER 132 H SER 132 -12.337 21.534 -19.465 1057 HA SER 132 HA SER 132 -13.821 21.668 -21.042 1058 1HB SER 132 1HB SER 132 -12.135 23.941 -21.536 1059 2HB SER 132 2HB SER 132 -12.572 23.272 -23.096 1060 HG SER 132 HG SER 132 -14.404 24.027 -20.980 1061 H GLY 133 H GLY 133 -14.369 20.180 -22.632 1062 1HA GLY 133 1HA GLY 133 -13.544 19.464 -24.938 1063 2HA GLY 133 2HA GLY 133 -12.120 18.927 -24.071 Start of MODEL 5 1 H GLY 1 H GLY 1 -25.390 1.317 8.425 2 1HA GLY 1 1HA GLY 1 -25.288 0.433 5.618 3 2HA GLY 1 2HA GLY 1 -26.347 1.750 6.080 4 H SER 2 H SER 2 -25.521 3.789 5.921 5 HA SER 2 HA SER 2 -22.613 3.989 6.060 6 1HB SER 2 1HB SER 2 -22.693 5.767 4.424 7 2HB SER 2 2HB SER 2 -23.613 4.419 3.784 8 HG SER 2 HG SER 2 -25.578 5.490 4.497 9 H SER 3 H SER 3 -21.763 5.471 7.528 10 HA SER 3 HA SER 3 -23.462 7.560 8.500 11 1HB SER 3 1HB SER 3 -23.342 5.124 9.936 12 2HB SER 3 2HB SER 3 -22.270 6.203 10.806 13 HG SER 3 HG SER 3 -24.942 6.975 10.013 14 H GLY 4 H GLY 4 -22.130 8.943 10.185 15 1HA GLY 4 1HA GLY 4 -19.588 9.492 8.994 16 2HA GLY 4 2HA GLY 4 -20.333 10.307 10.354 17 H SER 5 H SER 5 -18.245 7.620 9.329 18 HA SER 5 HA SER 5 -16.978 7.667 11.855 19 1HB SER 5 1HB SER 5 -19.096 6.082 12.026 20 2HB SER 5 2HB SER 5 -18.104 4.954 11.125 21 HG SER 5 HG SER 5 -16.758 6.143 13.279 22 H SER 6 H SER 6 -15.034 6.124 11.849 23 HA SER 6 HA SER 6 -13.632 6.414 9.529 24 1HB SER 6 1HB SER 6 -11.946 5.028 10.550 25 2HB SER 6 2HB SER 6 -12.722 5.923 11.841 26 HG SER 6 HG SER 6 -13.224 3.171 11.093 27 H GLY 7 H GLY 7 -13.502 5.278 7.605 28 1HA GLY 7 1HA GLY 7 -14.199 2.488 7.465 29 2HA GLY 7 2HA GLY 7 -15.400 3.537 6.739 30 H MET 8 H MET 8 -14.680 5.095 5.022 31 HA MET 8 HA MET 8 -12.245 4.136 3.731 32 1HB MET 8 1HB MET 8 -14.190 3.232 2.517 33 2HB MET 8 2HB MET 8 -14.984 4.795 2.520 34 1HG MET 8 1HG MET 8 -14.061 5.074 0.449 35 2HG MET 8 2HG MET 8 -12.571 5.417 1.302 36 1HE MET 8 1HE MET 8 -10.513 4.277 0.857 37 2HE MET 8 2HE MET 8 -11.003 3.225 2.207 38 3HE MET 8 3HE MET 8 -10.329 2.510 0.723 39 H GLU 9 H GLU 9 -14.757 6.772 3.590 40 HA GLU 9 HA GLU 9 -13.080 8.617 2.412 41 1HB GLU 9 1HB GLU 9 -15.745 8.517 3.176 42 2HB GLU 9 2HB GLU 9 -15.108 9.736 4.262 43 1HG GLU 9 1HG GLU 9 -14.076 10.901 2.251 44 2HG GLU 9 2HG GLU 9 -14.879 9.738 1.216 45 H ALA 10 H ALA 10 -13.003 7.274 5.575 46 HA ALA 10 HA ALA 10 -11.674 9.630 6.686 47 1HB ALA 10 1HB ALA 10 -12.117 8.690 8.804 48 2HB ALA 10 2HB ALA 10 -13.566 8.285 7.852 49 3HB ALA 10 3HB ALA 10 -12.315 7.051 8.138 50 H VAL 11 H VAL 11 -11.207 6.130 5.927 51 HA VAL 11 HA VAL 11 -8.628 5.916 6.936 52 HB VAL 11 HB VAL 11 -10.285 4.482 4.902 53 1HG1 VAL 11 1HG1 VAL 11 -8.400 3.995 3.737 54 2HG1 VAL 11 2HG1 VAL 11 -7.322 4.389 5.098 55 3HG1 VAL 11 3HG1 VAL 11 -8.156 2.817 5.047 56 1HG2 VAL 11 1HG2 VAL 11 -8.870 3.184 7.199 57 2HG2 VAL 11 2HG2 VAL 11 -10.243 4.262 7.550 58 3HG2 VAL 11 3HG2 VAL 11 -10.471 2.843 6.499 59 H LEU 12 H LEU 12 -9.830 6.844 3.649 60 HA LEU 12 HA LEU 12 -7.229 7.189 2.603 61 1HB LEU 12 1HB LEU 12 -9.522 6.791 1.447 62 2HB LEU 12 2HB LEU 12 -9.691 8.532 1.540 63 HG LEU 12 HG LEU 12 -7.408 8.650 0.353 64 1HD1 LEU 12 1HD1 LEU 12 -8.026 5.951 -0.765 65 2HD1 LEU 12 2HD1 LEU 12 -6.478 6.821 -0.645 66 3HD1 LEU 12 3HD1 LEU 12 -7.177 6.048 0.797 67 1HD2 LEU 12 1HD2 LEU 12 -10.091 8.332 -0.625 68 2HD2 LEU 12 2HD2 LEU 12 -8.762 9.328 -1.265 69 3HD2 LEU 12 3HD2 LEU 12 -8.939 7.637 -1.790 70 H ASN 13 H ASN 13 -9.459 9.189 4.496 71 HA ASN 13 HA ASN 13 -8.221 11.622 3.855 72 1HB ASN 13 1HB ASN 13 -10.390 10.665 5.547 73 2HB ASN 13 2HB ASN 13 -9.387 11.754 6.485 74 1HD2 ASN 13 1HD2 ASN 13 -10.757 11.451 3.211 75 2HD2 ASN 13 2HD2 ASN 13 -11.250 13.101 3.025 76 H GLU 14 H GLU 14 -8.235 9.550 6.864 77 HA GLU 14 HA GLU 14 -6.513 10.826 8.400 78 1HB GLU 14 1HB GLU 14 -7.471 8.150 8.174 79 2HB GLU 14 2HB GLU 14 -5.740 8.024 8.412 80 1HG GLU 14 1HG GLU 14 -7.171 10.003 10.153 81 2HG GLU 14 2HG GLU 14 -7.513 8.312 10.464 82 H LEU 15 H LEU 15 -4.145 10.581 8.874 83 HA LEU 15 HA LEU 15 -2.614 9.936 6.459 84 1HB LEU 15 1HB LEU 15 -2.177 12.354 8.214 85 2HB LEU 15 2HB LEU 15 -1.212 11.884 6.829 86 HG LEU 15 HG LEU 15 -4.157 12.535 6.610 87 1HD1 LEU 15 1HD1 LEU 15 -1.978 14.500 5.939 88 2HD1 LEU 15 2HD1 LEU 15 -3.717 14.781 6.189 89 3HD1 LEU 15 3HD1 LEU 15 -2.668 14.410 7.578 90 1HD2 LEU 15 1HD2 LEU 15 -3.866 12.572 4.312 91 2HD2 LEU 15 2HD2 LEU 15 -2.104 12.791 4.429 92 3HD2 LEU 15 3HD2 LEU 15 -2.832 11.212 4.812 93 H VAL 16 H VAL 16 -0.117 9.928 7.161 94 HA VAL 16 HA VAL 16 -0.055 8.221 9.539 95 HB VAL 16 HB VAL 16 0.693 7.583 7.089 96 1HG1 VAL 16 1HG1 VAL 16 2.749 8.232 6.371 97 2HG1 VAL 16 2HG1 VAL 16 2.401 9.650 7.388 98 3HG1 VAL 16 3HG1 VAL 16 3.418 8.332 8.017 99 1HG2 VAL 16 1HG2 VAL 16 0.791 6.013 8.888 100 2HG2 VAL 16 2HG2 VAL 16 2.393 6.018 8.111 101 3HG2 VAL 16 3HG2 VAL 16 2.150 6.874 9.652 102 H SER 17 H SER 17 1.480 8.579 11.201 103 HA SER 17 HA SER 17 2.292 11.331 11.334 104 1HB SER 17 1HB SER 17 2.832 9.261 13.479 105 2HB SER 17 2HB SER 17 2.558 10.982 13.666 106 HG SER 17 HG SER 17 0.675 9.843 14.313 107 H VAL 18 H VAL 18 4.367 12.035 10.934 108 HA VAL 18 HA VAL 18 6.267 10.572 9.722 109 HB VAL 18 HB VAL 18 6.116 13.070 10.168 110 1HG1 VAL 18 1HG1 VAL 18 7.706 12.310 12.642 111 2HG1 VAL 18 2HG1 VAL 18 7.380 13.959 12.057 112 3HG1 VAL 18 3HG1 VAL 18 6.041 12.938 12.633 113 1HG2 VAL 18 1HG2 VAL 18 8.650 11.455 10.122 114 2HG2 VAL 18 2HG2 VAL 18 7.922 12.466 8.851 115 3HG2 VAL 18 3HG2 VAL 18 8.736 13.229 10.237 116 H GLU 19 H GLU 19 5.988 11.114 13.300 117 HA GLU 19 HA GLU 19 8.182 9.801 14.107 118 1HB GLU 19 1HB GLU 19 5.587 10.507 15.250 119 2HB GLU 19 2HB GLU 19 6.164 8.997 15.928 120 1HG GLU 19 1HG GLU 19 8.417 10.783 15.790 121 2HG GLU 19 2HG GLU 19 7.082 11.685 16.480 122 H ASP 20 H ASP 20 4.925 8.303 13.491 123 HA ASP 20 HA ASP 20 5.668 5.735 14.080 124 1HB ASP 20 1HB ASP 20 3.531 7.066 12.467 125 2HB ASP 20 2HB ASP 20 3.812 5.381 12.074 126 H LEU 21 H LEU 21 5.588 7.527 10.913 127 HA LEU 21 HA LEU 21 6.407 5.485 9.266 128 1HB LEU 21 1HB LEU 21 5.548 7.755 8.650 129 2HB LEU 21 2HB LEU 21 7.134 8.404 9.011 130 HG LEU 21 HG LEU 21 6.627 7.970 6.576 131 1HD1 LEU 21 1HD1 LEU 21 9.020 6.325 7.205 132 2HD1 LEU 21 2HD1 LEU 21 8.833 7.727 6.125 133 3HD1 LEU 21 3HD1 LEU 21 8.968 7.971 7.882 134 1HD2 LEU 21 1HD2 LEU 21 6.493 5.836 5.678 135 2HD2 LEU 21 2HD2 LEU 21 7.198 5.068 7.121 136 3HD2 LEU 21 3HD2 LEU 21 5.533 5.695 7.170 137 H LYS 22 H LYS 22 8.335 7.679 11.365 138 HA LYS 22 HA LYS 22 10.824 6.735 10.392 139 1HB LYS 22 1HB LYS 22 9.937 8.394 12.747 140 2HB LYS 22 2HB LYS 22 11.600 7.858 12.607 141 1HG LYS 22 1HG LYS 22 10.353 9.093 10.161 142 2HG LYS 22 2HG LYS 22 10.715 10.168 11.498 143 1HD LYS 22 1HD LYS 22 13.057 8.758 11.410 144 2HD LYS 22 2HD LYS 22 12.588 8.639 9.726 145 1HE LYS 22 1HE LYS 22 12.926 10.881 9.329 146 2HE LYS 22 2HE LYS 22 12.266 11.364 10.878 147 1HZ LYS 22 1HZ LYS 22 14.531 11.808 10.969 148 2HZ LYS 22 2HZ LYS 22 14.369 10.438 11.841 149 3HZ LYS 22 3HZ LYS 22 14.963 10.372 10.322 150 H ASN 23 H ASN 23 8.956 6.127 13.450 151 HA ASN 23 HA ASN 23 10.624 4.358 14.582 152 1HB ASN 23 1HB ASN 23 7.690 4.856 14.628 153 2HB ASN 23 2HB ASN 23 8.118 3.226 15.107 154 1HD2 ASN 23 1HD2 ASN 23 6.960 4.988 16.852 155 2HD2 ASN 23 2HD2 ASN 23 8.068 5.436 18.105 156 H PHE 24 H PHE 24 8.677 4.020 11.668 157 HA PHE 24 HA PHE 24 8.911 1.122 11.685 158 1HB PHE 24 1HB PHE 24 7.522 3.298 10.047 159 2HB PHE 24 2HB PHE 24 7.665 1.687 9.374 160 HD1 PHE 24 1HD PHE 24 6.967 2.749 12.879 161 HD2 PHE 24 2HD PHE 24 5.519 0.807 9.395 162 HE1 PHE 24 1HE PHE 24 4.905 2.046 14.127 163 HE2 PHE 24 2HE PHE 24 3.458 0.104 10.642 164 HZ PHE 24 HZ PHE 24 3.176 0.731 12.993 165 H GLU 25 H GLU 25 9.748 3.947 9.554 166 HA GLU 25 HA GLU 25 11.062 2.607 7.623 167 1HB GLU 25 1HB GLU 25 10.579 5.170 7.985 168 2HB GLU 25 2HB GLU 25 12.178 5.210 8.701 169 1HG GLU 25 1HG GLU 25 13.169 4.281 6.629 170 2HG GLU 25 2HG GLU 25 11.578 4.115 5.912 171 H ARG 26 H ARG 26 12.066 3.166 10.964 172 HA ARG 26 HA ARG 26 14.793 2.703 10.513 173 1HB ARG 26 1HB ARG 26 14.574 3.715 12.574 174 2HB ARG 26 2HB ARG 26 12.973 3.052 12.840 175 1HG ARG 26 1HG ARG 26 13.828 0.984 13.670 176 2HG ARG 26 2HG ARG 26 15.411 1.247 12.967 177 1HD ARG 26 1HD ARG 26 15.900 1.827 15.162 178 2HD ARG 26 2HD ARG 26 15.396 3.401 14.579 179 HE ARG 26 HE ARG 26 13.891 1.638 16.400 180 1HH1 ARG 26 1HH1 ARG 26 13.780 4.451 14.289 181 2HH1 ARG 26 2HH1 ARG 26 12.369 5.118 15.040 182 1HH2 ARG 26 1HH2 ARG 26 12.029 2.517 17.391 183 2HH2 ARG 26 2HH2 ARG 26 11.366 4.011 16.817 184 H LYS 27 H LYS 27 12.003 0.679 11.623 185 HA LYS 27 HA LYS 27 13.451 -1.631 12.165 186 1HB LYS 27 1HB LYS 27 10.881 -0.848 12.481 187 2HB LYS 27 2HB LYS 27 10.692 -1.903 11.095 188 1HG LYS 27 1HG LYS 27 11.184 -3.800 12.297 189 2HG LYS 27 2HG LYS 27 12.452 -3.016 13.218 190 1HD LYS 27 1HD LYS 27 9.627 -2.142 13.772 191 2HD LYS 27 2HD LYS 27 10.084 -3.742 14.321 192 1HE LYS 27 1HE LYS 27 12.187 -2.584 15.359 193 2HE LYS 27 2HE LYS 27 11.332 -1.076 15.094 194 1HZ LYS 27 1HZ LYS 27 11.039 -2.480 17.265 195 2HZ LYS 27 2HZ LYS 27 9.815 -1.587 16.657 196 3HZ LYS 27 3HZ LYS 27 9.860 -3.198 16.392 197 H PHE 28 H PHE 28 11.675 -0.643 9.154 198 HA PHE 28 HA PHE 28 12.142 -2.778 7.598 199 1HB PHE 28 1HB PHE 28 11.028 -0.455 7.148 200 2HB PHE 28 2HB PHE 28 12.634 0.144 6.780 201 HD1 PHE 28 1HD PHE 28 10.053 -2.285 5.714 202 HD2 PHE 28 2HD PHE 28 13.613 -0.228 4.662 203 HE1 PHE 28 1HE PHE 28 9.794 -3.051 3.339 204 HE2 PHE 28 2HE PHE 28 13.353 -0.995 2.286 205 HZ PHE 28 HZ PHE 28 11.447 -2.398 1.652 206 H GLN 29 H GLN 29 14.397 0.075 7.814 207 HA GLN 29 HA GLN 29 16.343 -0.901 6.219 208 1HB GLN 29 1HB GLN 29 16.553 0.815 8.725 209 2HB GLN 29 2HB GLN 29 17.912 0.533 7.657 210 1HG GLN 29 1HG GLN 29 16.329 1.346 5.739 211 2HG GLN 29 2HG GLN 29 15.298 1.950 7.020 212 1HE2 GLN 29 1HE2 GLN 29 16.299 3.687 5.242 213 2HE2 GLN 29 2HE2 GLN 29 17.516 4.704 5.939 214 H SER 30 H SER 30 16.117 -1.297 9.829 215 HA SER 30 HA SER 30 18.341 -2.723 10.253 216 1HB SER 30 1HB SER 30 15.983 -2.148 11.669 217 2HB SER 30 2HB SER 30 16.055 -3.899 11.686 218 HG SER 30 HG SER 30 17.255 -2.531 13.420 219 H GLU 31 H GLU 31 15.123 -4.401 9.990 220 HA GLU 31 HA GLU 31 16.030 -6.887 9.638 221 1HB GLU 31 1HB GLU 31 13.634 -5.581 8.276 222 2HB GLU 31 2HB GLU 31 13.885 -7.314 8.360 223 1HG GLU 31 1HG GLU 31 12.617 -7.096 10.274 224 2HG GLU 31 2HG GLU 31 14.180 -6.761 10.991 225 H GLN 32 H GLN 32 16.151 -4.227 7.314 226 HA GLN 32 HA GLN 32 16.446 -5.764 5.015 227 1HB GLN 32 1HB GLN 32 16.090 -3.141 5.457 228 2HB GLN 32 2HB GLN 32 17.834 -3.104 5.278 229 1HG GLN 32 1HG GLN 32 17.682 -4.168 3.061 230 2HG GLN 32 2HG GLN 32 15.954 -4.394 3.246 231 1HE2 GLN 32 1HE2 GLN 32 15.743 -3.226 1.277 232 2HE2 GLN 32 2HE2 GLN 32 15.770 -1.494 1.249 233 H ALA 33 H ALA 33 18.966 -4.017 6.985 234 HA ALA 33 HA ALA 33 21.098 -5.306 5.641 235 1HB ALA 33 1HB ALA 33 22.043 -4.362 8.102 236 2HB ALA 33 2HB ALA 33 22.017 -3.467 6.562 237 3HB ALA 33 3HB ALA 33 20.673 -3.290 7.718 238 H ALA 34 H ALA 34 18.789 -6.423 7.875 239 HA ALA 34 HA ALA 34 20.510 -8.104 9.413 240 1HB ALA 34 1HB ALA 34 17.597 -8.699 9.117 241 2HB ALA 34 2HB ALA 34 18.598 -8.587 10.584 242 3HB ALA 34 3HB ALA 34 18.028 -7.104 9.780 243 H GLY 35 H GLY 35 18.725 -8.292 6.341 244 1HA GLY 35 1HA GLY 35 20.118 -10.190 5.094 245 2HA GLY 35 2HA GLY 35 19.107 -11.169 6.138 246 H SER 36 H SER 36 16.894 -9.052 6.078 247 HA SER 36 HA SER 36 16.060 -8.421 3.609 248 1HB SER 36 1HB SER 36 15.666 -11.333 4.167 249 2HB SER 36 2HB SER 36 14.288 -10.497 3.479 250 HG SER 36 HG SER 36 16.349 -9.644 2.037 251 H VAL 37 H VAL 37 14.270 -7.114 3.934 252 HA VAL 37 HA VAL 37 13.212 -6.887 6.528 253 HB VAL 37 HB VAL 37 12.453 -5.756 3.837 254 1HG1 VAL 37 1HG1 VAL 37 11.358 -4.213 5.993 255 2HG1 VAL 37 2HG1 VAL 37 10.516 -4.993 4.632 256 3HG1 VAL 37 3HG1 VAL 37 10.791 -5.893 6.142 257 1HG2 VAL 37 1HG2 VAL 37 14.294 -5.013 6.005 258 2HG2 VAL 37 2HG2 VAL 37 14.264 -4.506 4.298 259 3HG2 VAL 37 3HG2 VAL 37 13.224 -3.688 5.489 260 H SER 38 H SER 38 11.466 -7.824 7.505 261 HA SER 38 HA SER 38 10.347 -10.069 6.296 262 1HB SER 38 1HB SER 38 9.557 -8.465 8.763 263 2HB SER 38 2HB SER 38 8.758 -9.958 8.310 264 HG SER 38 HG SER 38 11.060 -9.658 9.690 265 H LYS 39 H LYS 39 8.055 -10.444 5.712 266 HA LYS 39 HA LYS 39 7.049 -8.515 4.004 267 1HB LYS 39 1HB LYS 39 5.626 -10.144 3.417 268 2HB LYS 39 2HB LYS 39 6.572 -11.157 4.488 269 1HG LYS 39 1HG LYS 39 4.973 -10.294 6.382 270 2HG LYS 39 2HG LYS 39 3.938 -9.757 5.074 271 1HD LYS 39 1HD LYS 39 3.082 -11.894 5.348 272 2HD LYS 39 2HD LYS 39 4.333 -12.255 4.176 273 1HE LYS 39 1HE LYS 39 5.589 -13.440 5.688 274 2HE LYS 39 2HE LYS 39 5.323 -12.277 6.971 275 1HZ LYS 39 1HZ LYS 39 3.466 -14.376 6.100 276 2HZ LYS 39 2HZ LYS 39 4.237 -14.273 7.535 277 3HZ LYS 39 3HZ LYS 39 3.060 -13.204 7.163 278 H SER 40 H SER 40 6.468 -9.127 7.480 279 HA SER 40 HA SER 40 4.206 -7.621 7.778 280 1HB SER 40 1HB SER 40 6.001 -8.976 9.445 281 2HB SER 40 2HB SER 40 6.124 -7.318 10.000 282 HG SER 40 HG SER 40 3.580 -7.509 9.834 283 H THR 41 H THR 41 7.547 -6.517 8.725 284 HA THR 41 HA THR 41 6.994 -3.861 9.006 285 HB THR 41 HB THR 41 9.528 -5.180 7.896 286 HG1 THR 41 1HG THR 41 9.671 -5.858 10.006 287 1HG2 THR 41 1HG2 THR 41 10.348 -3.229 9.617 288 2HG2 THR 41 2HG2 THR 41 10.167 -2.940 7.870 289 3HG2 THR 41 3HG2 THR 41 8.872 -2.457 8.991 290 H GLN 42 H GLN 42 7.946 -5.554 5.953 291 HA GLN 42 HA GLN 42 8.098 -3.371 4.362 292 1HB GLN 42 1HB GLN 42 8.603 -5.782 3.760 293 2HB GLN 42 2HB GLN 42 6.884 -6.051 3.558 294 1HG GLN 42 1HG GLN 42 6.748 -4.486 1.722 295 2HG GLN 42 2HG GLN 42 8.334 -3.826 2.067 296 1HE2 GLN 42 1HE2 GLN 42 7.565 -4.761 -0.429 297 2HE2 GLN 42 2HE2 GLN 42 8.496 -6.159 -0.854 298 H PHE 43 H PHE 43 5.143 -5.457 4.810 299 HA PHE 43 HA PHE 43 3.433 -3.839 3.366 300 1HB PHE 43 1HB PHE 43 2.690 -6.033 3.985 301 2HB PHE 43 2HB PHE 43 3.273 -5.865 5.629 302 HD1 PHE 43 1HD PHE 43 0.589 -4.798 3.313 303 HD2 PHE 43 2HD PHE 43 1.843 -5.124 7.354 304 HE1 PHE 43 1HE PHE 43 -1.731 -4.225 4.080 305 HE2 PHE 43 2HE PHE 43 -0.477 -4.551 8.121 306 HZ PHE 43 HZ PHE 43 -2.236 -4.109 6.474 307 H GLU 44 H GLU 44 4.380 -3.745 6.843 308 HA GLU 44 HA GLU 44 2.468 -1.885 7.598 309 1HB GLU 44 1HB GLU 44 5.227 -2.491 8.747 310 2HB GLU 44 2HB GLU 44 4.044 -1.474 9.545 311 1HG GLU 44 1HG GLU 44 2.875 -4.037 8.682 312 2HG GLU 44 2HG GLU 44 4.245 -4.275 9.747 313 H TYR 45 H TYR 45 6.040 -1.288 7.212 314 HA TYR 45 HA TYR 45 5.999 1.418 7.252 315 1HB TYR 45 1HB TYR 45 8.023 -0.035 7.117 316 2HB TYR 45 2HB TYR 45 7.539 -0.624 5.540 317 HD1 TYR 45 1HD TYR 45 8.946 0.119 3.861 318 HD2 TYR 45 2HD TYR 45 7.954 2.798 7.046 319 HE1 TYR 45 1HE TYR 45 10.324 1.950 2.760 320 HE2 TYR 45 2HE TYR 45 9.336 4.619 5.934 321 HH TYR 45 HH TYR 45 11.590 4.099 3.767 322 H ALA 46 H ALA 46 5.287 -0.734 4.446 323 HA ALA 46 HA ALA 46 5.157 1.320 2.544 324 1HB ALA 46 1HB ALA 46 5.385 -1.157 2.129 325 2HB ALA 46 2HB ALA 46 3.669 -1.333 2.568 326 3HB ALA 46 3HB ALA 46 4.129 -0.366 1.146 327 H TRP 47 H TRP 47 2.589 -0.352 4.494 328 HA TRP 47 HA TRP 47 0.452 1.103 3.493 329 1HB TRP 47 1HB TRP 47 0.118 -0.914 4.731 330 2HB TRP 47 2HB TRP 47 0.897 -0.251 6.154 331 HD1 TRP 47 HD TRP 47 -0.936 0.243 7.937 332 HE1 TRP 47 1HE TRP 47 -3.384 1.222 8.051 333 HE3 TRP 47 3HE TRP 47 -1.461 0.926 2.925 334 HZ2 TRP 47 2HZ TRP 47 -5.224 2.150 6.076 335 HZ3 TRP 47 3HZ TRP 47 -3.614 1.873 2.101 336 HH2 TRP 47 HH TRP 47 -5.458 2.479 3.587 337 H CYS 48 H CYS 48 2.933 1.816 5.968 338 HA CYS 48 HA CYS 48 1.622 4.028 7.085 339 1HB CYS 48 1HB CYS 48 4.528 3.178 7.031 340 2HB CYS 48 2HB CYS 48 3.988 4.629 7.855 341 HG CYS 48 HG CYS 48 3.648 1.487 8.505 342 H LEU 49 H LEU 49 3.830 3.506 4.298 343 HA LEU 49 HA LEU 49 4.338 6.219 3.788 344 1HB LEU 49 1HB LEU 49 4.570 3.663 2.247 345 2HB LEU 49 2HB LEU 49 4.776 5.193 1.418 346 HG LEU 49 HG LEU 49 6.375 4.386 3.859 347 1HD1 LEU 49 1HD1 LEU 49 7.921 3.326 2.607 348 2HD1 LEU 49 2HD1 LEU 49 6.543 3.060 1.512 349 3HD1 LEU 49 3HD1 LEU 49 7.682 4.394 1.203 350 1HD2 LEU 49 1HD2 LEU 49 7.867 6.193 3.223 351 2HD2 LEU 49 2HD2 LEU 49 6.853 6.566 1.809 352 3HD2 LEU 49 3HD2 LEU 49 6.212 6.808 3.452 353 H VAL 50 H VAL 50 2.177 3.926 1.967 354 HA VAL 50 HA VAL 50 0.923 5.711 0.388 355 HB VAL 50 HB VAL 50 -1.072 4.152 0.608 356 1HG1 VAL 50 1HG1 VAL 50 0.958 3.951 -0.970 357 2HG1 VAL 50 2HG1 VAL 50 1.507 2.656 0.121 358 3HG1 VAL 50 3HG1 VAL 50 -0.053 2.507 -0.723 359 1HG2 VAL 50 1HG2 VAL 50 -1.090 3.175 2.677 360 2HG2 VAL 50 2HG2 VAL 50 -0.197 1.922 1.783 361 3HG2 VAL 50 3HG2 VAL 50 0.685 3.099 2.784 362 H ARG 51 H ARG 51 0.397 5.144 3.885 363 HA ARG 51 HA ARG 51 -1.933 6.662 4.029 364 1HB ARG 51 1HB ARG 51 0.134 5.694 6.025 365 2HB ARG 51 2HB ARG 51 -1.080 6.840 6.558 366 1HG ARG 51 1HG ARG 51 -2.894 5.336 5.941 367 2HG ARG 51 2HG ARG 51 -1.797 4.257 5.102 368 1HD ARG 51 1HD ARG 51 -2.358 3.317 7.310 369 2HD ARG 51 2HD ARG 51 -0.656 3.724 7.262 370 HE ARG 51 HE ARG 51 -1.965 6.021 8.245 371 1HH1 ARG 51 1HH1 ARG 51 -1.549 2.668 9.229 372 2HH1 ARG 51 2HH1 ARG 51 -1.679 3.015 10.921 373 1HH2 ARG 51 1HH2 ARG 51 -2.137 6.479 10.477 374 2HH2 ARG 51 2HH2 ARG 51 -2.016 5.197 11.636 375 H SER 52 H SER 52 1.575 7.402 4.428 376 HA SER 52 HA SER 52 1.604 9.781 5.554 377 1HB SER 52 1HB SER 52 3.574 8.571 4.579 378 2HB SER 52 2HB SER 52 3.095 9.105 2.979 379 HG SER 52 HG SER 52 4.125 10.647 5.169 380 H LYS 53 H LYS 53 1.706 12.068 4.667 381 HA LYS 53 HA LYS 53 -0.558 12.473 2.923 382 1HB LYS 53 1HB LYS 53 -0.301 14.831 3.553 383 2HB LYS 53 2HB LYS 53 -0.396 13.785 4.955 384 1HG LYS 53 1HG LYS 53 1.532 14.736 5.682 385 2HG LYS 53 2HG LYS 53 2.358 13.872 4.399 386 1HD LYS 53 1HD LYS 53 2.919 15.888 3.522 387 2HD LYS 53 2HD LYS 53 1.235 16.091 3.080 388 1HE LYS 53 1HE LYS 53 1.988 16.740 5.922 389 2HE LYS 53 2HE LYS 53 2.540 17.847 4.681 390 1HZ LYS 53 1HZ LYS 53 -0.197 17.038 4.432 391 2HZ LYS 53 2HZ LYS 53 0.129 17.921 5.767 392 3HZ LYS 53 3HZ LYS 53 0.468 18.521 4.287 393 H TYR 54 H TYR 54 2.804 11.991 2.595 394 HA TYR 54 HA TYR 54 3.080 13.753 0.311 395 1HB TYR 54 1HB TYR 54 4.716 11.879 2.056 396 2HB TYR 54 2HB TYR 54 5.328 12.165 0.439 397 HD1 TYR 54 1HD TYR 54 4.063 14.098 3.400 398 HD2 TYR 54 2HD TYR 54 6.794 13.940 0.111 399 HE1 TYR 54 1HE TYR 54 5.146 16.259 4.187 400 HE2 TYR 54 2HE TYR 54 7.868 16.101 0.908 401 HH TYR 54 HH TYR 54 7.311 18.009 2.218 402 H ASN 55 H ASN 55 2.950 13.157 -1.817 403 HA ASN 55 HA ASN 55 1.772 10.689 -2.394 404 1HB ASN 55 1HB ASN 55 2.078 11.411 -4.790 405 2HB ASN 55 2HB ASN 55 1.368 12.673 -3.803 406 1HD2 ASN 55 1HD2 ASN 55 2.323 14.584 -3.641 407 2HD2 ASN 55 2HD2 ASN 55 3.878 15.010 -4.276 408 H GLU 56 H GLU 56 5.086 12.093 -2.650 409 HA GLU 56 HA GLU 56 6.285 10.227 -4.206 410 1HB GLU 56 1HB GLU 56 7.086 12.330 -2.428 411 2HB GLU 56 2HB GLU 56 8.086 10.940 -2.058 412 1HG GLU 56 1HG GLU 56 9.344 11.761 -3.808 413 2HG GLU 56 2HG GLU 56 8.227 10.801 -4.757 414 H ASP 57 H ASP 57 5.525 10.088 -0.691 415 HA ASP 57 HA ASP 57 6.957 7.740 -0.228 416 1HB ASP 57 1HB ASP 57 4.758 9.262 1.172 417 2HB ASP 57 2HB ASP 57 5.102 7.634 1.721 418 H ILE 58 H ILE 58 3.596 8.539 -1.236 419 HA ILE 58 HA ILE 58 2.433 6.050 -0.867 420 HB ILE 58 HB ILE 58 1.873 8.273 -2.826 421 1HG1 ILE 58 1HG1 ILE 58 0.439 7.503 -0.270 422 2HG1 ILE 58 2HG1 ILE 58 1.681 8.736 -0.359 423 1HG2 ILE 58 1HG2 ILE 58 1.000 6.189 -3.743 424 2HG2 ILE 58 2HG2 ILE 58 0.172 5.842 -2.205 425 3HG2 ILE 58 3HG2 ILE 58 -0.322 7.244 -3.185 426 1HD1 ILE 58 1HD1 ILE 58 -1.092 9.036 -0.918 427 2HD1 ILE 58 2HD1 ILE 58 0.189 10.252 -1.130 428 3HD1 ILE 58 3HD1 ILE 58 -0.253 9.181 -2.482 429 H ARG 59 H ARG 59 3.762 7.450 -3.952 430 HA ARG 59 HA ARG 59 3.496 5.371 -5.546 431 1HB ARG 59 1HB ARG 59 4.684 7.630 -5.973 432 2HB ARG 59 2HB ARG 59 6.147 6.878 -5.368 433 1HG ARG 59 1HG ARG 59 5.880 5.065 -7.121 434 2HG ARG 59 2HG ARG 59 4.500 5.933 -7.762 435 1HD ARG 59 1HD ARG 59 5.835 7.784 -8.477 436 2HD ARG 59 2HD ARG 59 7.172 7.343 -7.432 437 HE ARG 59 HE ARG 59 6.624 6.278 -10.089 438 1HH1 ARG 59 1HH1 ARG 59 8.124 5.545 -6.992 439 2HH1 ARG 59 2HH1 ARG 59 9.220 4.379 -7.654 440 1HH2 ARG 59 1HH2 ARG 59 8.069 4.741 -10.964 441 2HH2 ARG 59 2HH2 ARG 59 9.189 3.918 -9.929 442 H ARG 60 H ARG 60 5.885 5.704 -2.895 443 HA ARG 60 HA ARG 60 7.426 3.504 -3.633 444 1HB ARG 60 1HB ARG 60 7.184 5.344 -1.322 445 2HB ARG 60 2HB ARG 60 7.680 3.732 -0.846 446 1HG ARG 60 1HG ARG 60 9.783 4.428 -1.407 447 2HG ARG 60 2HG ARG 60 9.281 4.120 -3.057 448 1HD ARG 60 1HD ARG 60 8.434 6.531 -3.165 449 2HD ARG 60 2HD ARG 60 9.159 6.797 -1.592 450 HE ARG 60 HE ARG 60 11.316 6.700 -2.564 451 1HH1 ARG 60 1HH1 ARG 60 8.860 5.773 -4.910 452 2HH1 ARG 60 2HH1 ARG 60 9.941 5.844 -6.260 453 1HH2 ARG 60 1HH2 ARG 60 12.743 6.795 -4.347 454 2HH2 ARG 60 2HH2 ARG 60 12.164 6.430 -5.939 455 H GLY 61 H GLY 61 5.046 3.911 -0.895 456 1HA GLY 61 1HA GLY 61 4.873 1.428 0.098 457 2HA GLY 61 2HA GLY 61 3.480 2.470 -0.112 458 H ILE 62 H ILE 62 3.877 2.450 -3.157 459 HA ILE 62 HA ILE 62 2.166 0.262 -3.657 460 HB ILE 62 HB ILE 62 3.654 2.134 -5.498 461 1HG1 ILE 62 1HG1 ILE 62 0.844 2.161 -4.371 462 2HG1 ILE 62 2HG1 ILE 62 2.118 3.328 -4.081 463 1HG2 ILE 62 1HG2 ILE 62 2.703 -0.261 -6.289 464 2HG2 ILE 62 2HG2 ILE 62 1.225 0.721 -6.441 465 3HG2 ILE 62 3HG2 ILE 62 2.701 1.193 -7.316 466 1HD1 ILE 62 1HD1 ILE 62 0.513 2.868 -6.606 467 2HD1 ILE 62 2HD1 ILE 62 0.829 4.391 -5.740 468 3HD1 ILE 62 3HD1 ILE 62 2.120 3.628 -6.699 469 H VAL 63 H VAL 63 5.532 0.965 -4.845 470 HA VAL 63 HA VAL 63 6.019 -1.445 -6.008 471 HB VAL 63 HB VAL 63 8.409 -0.963 -5.512 472 1HG1 VAL 63 1HG1 VAL 63 6.842 1.467 -6.438 473 2HG1 VAL 63 2HG1 VAL 63 8.522 1.049 -6.850 474 3HG1 VAL 63 3HG1 VAL 63 7.183 0.037 -7.440 475 1HG2 VAL 63 1HG2 VAL 63 9.129 0.716 -4.108 476 2HG2 VAL 63 2HG2 VAL 63 7.601 1.621 -4.222 477 3HG2 VAL 63 3HG2 VAL 63 7.691 0.148 -3.226 478 H LEU 64 H LEU 64 6.107 -0.568 -2.531 479 HA LEU 64 HA LEU 64 7.296 -2.970 -1.677 480 1HB LEU 64 1HB LEU 64 5.420 -1.349 0.007 481 2HB LEU 64 2HB LEU 64 6.859 -2.231 0.479 482 HG LEU 64 HG LEU 64 6.703 0.414 -0.977 483 1HD1 LEU 64 1HD1 LEU 64 8.364 0.839 1.080 484 2HD1 LEU 64 2HD1 LEU 64 6.598 1.016 1.205 485 3HD1 LEU 64 3HD1 LEU 64 7.385 -0.473 1.777 486 1HD2 LEU 64 1HD2 LEU 64 8.517 -1.378 -1.740 487 2HD2 LEU 64 2HD2 LEU 64 8.892 0.355 -1.596 488 3HD2 LEU 64 3HD2 LEU 64 9.354 -0.767 -0.294 489 H LEU 65 H LEU 65 3.835 -1.878 -1.403 490 HA LEU 65 HA LEU 65 2.873 -4.388 -0.706 491 1HB LEU 65 1HB LEU 65 1.615 -1.938 -1.915 492 2HB LEU 65 2HB LEU 65 0.680 -3.386 -1.598 493 HG LEU 65 HG LEU 65 2.294 -2.027 0.563 494 1HD1 LEU 65 1HD1 LEU 65 0.059 -1.017 1.254 495 2HD1 LEU 65 2HD1 LEU 65 0.881 -0.282 -0.143 496 3HD1 LEU 65 3HD1 LEU 65 -0.495 -1.382 -0.398 497 1HD2 LEU 65 1HD2 LEU 65 1.472 -3.565 1.948 498 2HD2 LEU 65 2HD2 LEU 65 -0.179 -3.380 1.308 499 3HD2 LEU 65 3HD2 LEU 65 0.975 -4.463 0.493 500 H GLU 66 H GLU 66 4.054 -3.155 -3.736 501 HA GLU 66 HA GLU 66 2.514 -4.936 -5.327 502 1HB GLU 66 1HB GLU 66 4.774 -2.995 -5.813 503 2HB GLU 66 2HB GLU 66 4.414 -4.189 -7.045 504 1HG GLU 66 1HG GLU 66 1.974 -3.427 -6.948 505 2HG GLU 66 2HG GLU 66 2.482 -2.129 -5.887 506 H GLU 67 H GLU 67 5.576 -5.001 -3.567 507 HA GLU 67 HA GLU 67 6.447 -7.335 -5.005 508 1HB GLU 67 1HB GLU 67 7.645 -5.515 -2.920 509 2HB GLU 67 2HB GLU 67 8.314 -7.124 -3.104 510 1HG GLU 67 1HG GLU 67 8.251 -6.462 -5.718 511 2HG GLU 67 2HG GLU 67 8.300 -4.835 -5.067 512 H LEU 68 H LEU 68 4.618 -6.469 -2.164 513 HA LEU 68 HA LEU 68 5.170 -8.897 -0.743 514 1HB LEU 68 1HB LEU 68 3.231 -6.622 -0.361 515 2HB LEU 68 2HB LEU 68 3.223 -8.046 0.662 516 HG LEU 68 HG LEU 68 5.595 -6.192 0.297 517 1HD1 LEU 68 1HD1 LEU 68 4.638 -4.811 1.741 518 2HD1 LEU 68 2HD1 LEU 68 3.218 -5.877 1.867 519 3HD1 LEU 68 3HD1 LEU 68 4.609 -6.115 2.951 520 1HD2 LEU 68 1HD2 LEU 68 5.376 -8.841 1.388 521 2HD2 LEU 68 2HD2 LEU 68 6.809 -7.799 1.224 522 3HD2 LEU 68 3HD2 LEU 68 5.793 -7.693 2.681 523 H LEU 69 H LEU 69 2.949 -7.764 -3.237 524 HA LEU 69 HA LEU 69 0.775 -9.318 -2.955 525 1HB LEU 69 1HB LEU 69 2.194 -8.035 -5.119 526 2HB LEU 69 2HB LEU 69 1.463 -9.530 -5.668 527 HG LEU 69 HG LEU 69 -0.171 -7.943 -6.105 528 1HD1 LEU 69 1HD1 LEU 69 -0.710 -9.885 -4.230 529 2HD1 LEU 69 2HD1 LEU 69 -1.378 -8.416 -3.479 530 3HD1 LEU 69 3HD1 LEU 69 -1.917 -8.909 -5.103 531 1HD2 LEU 69 1HD2 LEU 69 0.126 -6.688 -3.371 532 2HD2 LEU 69 2HD2 LEU 69 1.024 -6.135 -4.804 533 3HD2 LEU 69 3HD2 LEU 69 -0.753 -6.064 -4.786 534 HA PRO 70 HA PRO 70 2.964 -13.099 -4.690 535 1HB PRO 70 1HB PRO 70 5.574 -12.997 -5.490 536 2HB PRO 70 2HB PRO 70 4.226 -12.779 -6.589 537 1HG PRO 70 1HG PRO 70 6.062 -10.743 -5.482 538 2HG PRO 70 2HG PRO 70 5.005 -10.628 -6.876 539 1HD PRO 70 1HD PRO 70 4.561 -9.480 -4.285 540 2HD PRO 70 2HD PRO 70 3.453 -9.463 -5.643 541 H LYS 71 H LYS 71 4.697 -11.042 -2.578 542 HA LYS 71 HA LYS 71 5.776 -13.386 -1.203 543 1HB LYS 71 1HB LYS 71 6.384 -10.443 -0.793 544 2HB LYS 71 2HB LYS 71 7.192 -11.789 -0.014 545 1HG LYS 71 1HG LYS 71 7.764 -12.646 -2.386 546 2HG LYS 71 2HG LYS 71 7.207 -11.096 -2.983 547 1HD LYS 71 1HD LYS 71 8.858 -10.071 -1.205 548 2HD LYS 71 2HD LYS 71 9.572 -11.670 -1.167 549 1HE LYS 71 1HE LYS 71 9.158 -10.865 -3.936 550 2HE LYS 71 2HE LYS 71 10.031 -9.603 -3.088 551 1HZ LYS 71 1HZ LYS 71 11.108 -11.868 -4.043 552 2HZ LYS 71 2HZ LYS 71 11.806 -10.891 -2.936 553 3HZ LYS 71 3HZ LYS 71 10.971 -12.207 -2.451 554 H GLY 72 H GLY 72 3.096 -13.454 -1.022 555 1HA GLY 72 1HA GLY 72 2.650 -13.083 1.780 556 2HA GLY 72 2HA GLY 72 1.760 -11.921 0.818 557 H SER 73 H SER 73 0.621 -14.065 2.459 558 HA SER 73 HA SER 73 -0.062 -16.247 0.882 559 1HB SER 73 1HB SER 73 -1.719 -15.078 3.156 560 2HB SER 73 2HB SER 73 -1.700 -16.744 2.613 561 HG SER 73 HG SER 73 0.842 -15.795 3.297 562 H LYS 74 H LYS 74 -2.954 -16.352 1.172 563 HA LYS 74 HA LYS 74 -3.642 -14.664 -1.077 564 1HB LYS 74 1HB LYS 74 -4.246 -17.276 -0.364 565 2HB LYS 74 2HB LYS 74 -5.729 -16.417 0.003 566 1HG LYS 74 1HG LYS 74 -5.994 -16.976 -2.279 567 2HG LYS 74 2HG LYS 74 -5.458 -15.309 -2.346 568 1HD LYS 74 1HD LYS 74 -3.901 -16.122 -3.821 569 2HD LYS 74 2HD LYS 74 -3.028 -16.568 -2.369 570 1HE LYS 74 1HE LYS 74 -3.049 -18.648 -3.379 571 2HE LYS 74 2HE LYS 74 -4.588 -18.767 -2.549 572 1HZ LYS 74 1HZ LYS 74 -4.452 -19.212 -5.055 573 2HZ LYS 74 2HZ LYS 74 -5.727 -18.374 -4.472 574 3HZ LYS 74 3HZ LYS 74 -4.501 -17.587 -5.209 575 H GLU 75 H GLU 75 -4.619 -15.252 2.349 576 HA GLU 75 HA GLU 75 -6.607 -13.255 2.246 577 1HB GLU 75 1HB GLU 75 -6.648 -13.579 4.748 578 2HB GLU 75 2HB GLU 75 -6.840 -15.064 3.836 579 1HG GLU 75 1HG GLU 75 -4.811 -15.916 4.525 580 2HG GLU 75 2HG GLU 75 -4.012 -14.358 4.463 581 H GLU 76 H GLU 76 -3.270 -13.048 2.103 582 HA GLU 76 HA GLU 76 -3.132 -10.687 3.770 583 1HB GLU 76 1HB GLU 76 -1.072 -12.455 2.424 584 2HB GLU 76 2HB GLU 76 -0.625 -10.854 2.979 585 1HG GLU 76 1HG GLU 76 -2.174 -12.388 4.987 586 2HG GLU 76 2HG GLU 76 -0.666 -13.165 4.545 587 H GLN 77 H GLN 77 -2.801 -11.782 0.355 588 HA GLN 77 HA GLN 77 -1.913 -9.439 -0.727 589 1HB GLN 77 1HB GLN 77 -3.639 -11.687 -1.801 590 2HB GLN 77 2HB GLN 77 -3.254 -10.311 -2.814 591 1HG GLN 77 1HG GLN 77 -0.814 -10.707 -2.428 592 2HG GLN 77 2HG GLN 77 -1.195 -12.077 -1.404 593 1HE2 GLN 77 1HE2 GLN 77 -0.131 -13.534 -2.687 594 2HE2 GLN 77 2HE2 GLN 77 -0.710 -14.067 -4.231 595 H ARG 78 H ARG 78 -4.996 -10.186 0.721 596 HA ARG 78 HA ARG 78 -6.563 -8.409 -0.731 597 1HB ARG 78 1HB ARG 78 -6.766 -9.742 1.982 598 2HB ARG 78 2HB ARG 78 -7.917 -8.482 1.582 599 1HG ARG 78 1HG ARG 78 -9.096 -10.236 0.672 600 2HG ARG 78 2HG ARG 78 -8.075 -9.923 -0.717 601 1HD ARG 78 1HD ARG 78 -7.209 -12.012 -0.545 602 2HD ARG 78 2HD ARG 78 -6.556 -11.611 1.030 603 HE ARG 78 HE ARG 78 -9.135 -12.145 1.693 604 1HH1 ARG 78 1HH1 ARG 78 -6.900 -13.897 -0.384 605 2HH1 ARG 78 2HH1 ARG 78 -7.614 -15.443 -0.064 606 1HH2 ARG 78 1HH2 ARG 78 -10.077 -14.184 2.115 607 2HH2 ARG 78 2HH2 ARG 78 -9.433 -15.606 1.367 608 H ASP 79 H ASP 79 -4.611 -8.111 2.294 609 HA ASP 79 HA ASP 79 -5.479 -5.534 2.899 610 1HB ASP 79 1HB ASP 79 -3.569 -7.478 3.893 611 2HB ASP 79 2HB ASP 79 -2.783 -5.913 3.823 612 H TYR 80 H TYR 80 -3.078 -6.926 0.693 613 HA TYR 80 HA TYR 80 -1.483 -4.593 0.401 614 1HB TYR 80 1HB TYR 80 -2.068 -7.081 -1.324 615 2HB TYR 80 2HB TYR 80 -0.750 -5.975 -1.653 616 HD1 TYR 80 1HD TYR 80 -0.600 -5.803 1.686 617 HD2 TYR 80 2HD TYR 80 -0.117 -8.771 -1.359 618 HE1 TYR 80 1HE TYR 80 0.910 -7.149 3.227 619 HE2 TYR 80 2HE TYR 80 1.392 -10.106 0.192 620 HH TYR 80 HH TYR 80 2.154 -8.895 3.448 621 H VAL 81 H VAL 81 -3.620 -6.236 -2.041 622 HA VAL 81 HA VAL 81 -3.720 -4.265 -3.871 623 HB VAL 81 HB VAL 81 -6.094 -5.924 -3.005 624 1HG1 VAL 81 1HG1 VAL 81 -6.356 -5.925 -5.609 625 2HG1 VAL 81 2HG1 VAL 81 -6.884 -4.510 -4.667 626 3HG1 VAL 81 3HG1 VAL 81 -5.327 -4.475 -5.528 627 1HG2 VAL 81 1HG2 VAL 81 -3.488 -6.781 -3.910 628 2HG2 VAL 81 2HG2 VAL 81 -4.899 -7.759 -3.435 629 3HG2 VAL 81 3HG2 VAL 81 -4.724 -7.207 -5.118 630 H PHE 82 H PHE 82 -6.087 -4.634 -1.131 631 HA PHE 82 HA PHE 82 -7.624 -2.492 -1.486 632 1HB PHE 82 1HB PHE 82 -7.706 -4.104 0.433 633 2HB PHE 82 2HB PHE 82 -6.195 -3.471 1.057 634 HD1 PHE 82 1HD PHE 82 -6.703 -2.549 3.121 635 HD2 PHE 82 2HD PHE 82 -9.205 -1.656 -0.188 636 HE1 PHE 82 1HE PHE 82 -7.974 -0.901 4.526 637 HE2 PHE 82 2HE PHE 82 -10.476 -0.009 1.216 638 HZ PHE 82 HZ PHE 82 -9.844 0.349 3.556 639 H TYR 83 H TYR 83 -4.274 -2.441 -0.140 640 HA TYR 83 HA TYR 83 -4.387 0.404 0.272 641 1HB TYR 83 1HB TYR 83 -2.301 -1.852 0.369 642 2HB TYR 83 2HB TYR 83 -1.837 -0.190 0.676 643 HD1 TYR 83 1HD TYR 83 -1.115 -1.729 2.814 644 HD2 TYR 83 2HD TYR 83 -5.082 -0.416 1.891 645 HE1 TYR 83 1HE TYR 83 -1.778 -1.996 5.253 646 HE2 TYR 83 2HE TYR 83 -5.731 -0.688 4.334 647 HH TYR 83 HH TYR 83 -3.359 -1.861 6.711 648 H LEU 84 H LEU 84 -2.656 -1.885 -1.952 649 HA LEU 84 HA LEU 84 -1.135 -0.158 -3.349 650 1HB LEU 84 1HB LEU 84 -2.271 -2.764 -3.734 651 2HB LEU 84 2HB LEU 84 -2.317 -1.889 -5.251 652 HG LEU 84 HG LEU 84 0.182 -2.202 -3.568 653 1HD1 LEU 84 1HD1 LEU 84 0.269 -3.704 -6.013 654 2HD1 LEU 84 2HD1 LEU 84 0.466 -4.263 -4.334 655 3HD1 LEU 84 3HD1 LEU 84 -1.156 -4.194 -5.065 656 1HD2 LEU 84 1HD2 LEU 84 0.540 -1.752 -6.416 657 2HD2 LEU 84 2HD2 LEU 84 -0.389 -0.440 -5.650 658 3HD2 LEU 84 3HD2 LEU 84 1.219 -0.876 -5.022 659 H ALA 85 H ALA 85 -4.686 -0.632 -3.623 660 HA ALA 85 HA ALA 85 -4.935 1.094 -5.866 661 1HB ALA 85 1HB ALA 85 -6.493 -0.803 -5.013 662 2HB ALA 85 2HB ALA 85 -7.123 0.422 -3.885 663 3HB ALA 85 3HB ALA 85 -7.245 0.683 -5.641 664 H VAL 86 H VAL 86 -5.327 1.430 -2.289 665 HA VAL 86 HA VAL 86 -6.310 4.009 -2.266 666 HB VAL 86 HB VAL 86 -4.741 2.291 -0.387 667 1HG1 VAL 86 1HG1 VAL 86 -3.832 4.559 -0.050 668 2HG1 VAL 86 2HG1 VAL 86 -5.483 5.181 0.183 669 3HG1 VAL 86 3HG1 VAL 86 -4.798 4.019 1.344 670 1HG2 VAL 86 1HG2 VAL 86 -7.282 2.170 -0.847 671 2HG2 VAL 86 2HG2 VAL 86 -6.730 2.191 0.846 672 3HG2 VAL 86 3HG2 VAL 86 -7.381 3.673 0.103 673 H GLY 87 H GLY 87 -2.892 2.818 -2.305 674 1HA GLY 87 1HA GLY 87 -1.749 5.423 -2.249 675 2HA GLY 87 2HA GLY 87 -0.951 3.915 -2.647 676 H ASN 88 H ASN 88 -2.387 2.989 -4.872 677 HA ASN 88 HA ASN 88 -1.211 4.397 -6.895 678 1HB ASN 88 1HB ASN 88 -3.342 2.292 -6.679 679 2HB ASN 88 2HB ASN 88 -3.290 3.155 -8.203 680 1HD2 ASN 88 1HD2 ASN 88 -2.162 0.553 -6.552 681 2HD2 ASN 88 2HD2 ASN 88 -0.713 0.194 -7.429 682 H TYR 89 H TYR 89 -4.609 4.430 -5.621 683 HA TYR 89 HA TYR 89 -5.786 6.074 -7.476 684 1HB TYR 89 1HB TYR 89 -7.153 5.077 -5.773 685 2HB TYR 89 2HB TYR 89 -6.004 5.456 -4.506 686 HD1 TYR 89 1HD TYR 89 -8.827 6.709 -6.490 687 HD2 TYR 89 2HD TYR 89 -5.997 7.661 -3.426 688 HE1 TYR 89 1HE TYR 89 -10.220 8.728 -5.821 689 HE2 TYR 89 2HE TYR 89 -7.399 9.677 -2.767 690 HH TYR 89 HH TYR 89 -9.082 10.948 -3.304 691 H ARG 90 H ARG 90 -3.981 6.991 -4.468 692 HA ARG 90 HA ARG 90 -4.449 9.655 -4.563 693 1HB ARG 90 1HB ARG 90 -2.840 7.937 -3.067 694 2HB ARG 90 2HB ARG 90 -1.647 8.954 -3.849 695 1HG ARG 90 1HG ARG 90 -4.031 10.335 -2.643 696 2HG ARG 90 2HG ARG 90 -2.863 9.653 -1.529 697 1HD ARG 90 1HD ARG 90 -1.294 11.251 -2.011 698 2HD ARG 90 2HD ARG 90 -1.568 11.129 -3.738 699 HE ARG 90 HE ARG 90 -2.979 12.980 -3.598 700 1HH1 ARG 90 1HH1 ARG 90 -2.756 11.494 -0.415 701 2HH1 ARG 90 2HH1 ARG 90 -3.692 12.726 0.366 702 1HH2 ARG 90 1HH2 ARG 90 -4.212 14.604 -2.568 703 2HH2 ARG 90 2HH2 ARG 90 -4.525 14.506 -0.868 704 H LEU 91 H LEU 91 -2.141 7.668 -6.448 705 HA LEU 91 HA LEU 91 -0.910 10.019 -7.597 706 1HB LEU 91 1HB LEU 91 -0.464 7.055 -7.809 707 2HB LEU 91 2HB LEU 91 0.281 8.163 -8.943 708 HG LEU 91 HG LEU 91 1.930 7.810 -7.339 709 1HD1 LEU 91 1HD1 LEU 91 0.696 10.268 -6.123 710 2HD1 LEU 91 2HD1 LEU 91 2.402 9.915 -6.486 711 3HD1 LEU 91 3HD1 LEU 91 1.266 10.270 -7.809 712 1HD2 LEU 91 1HD2 LEU 91 0.100 8.357 -5.011 713 2HD2 LEU 91 2HD2 LEU 91 0.221 6.734 -5.729 714 3HD2 LEU 91 3HD2 LEU 91 1.667 7.514 -5.045 715 H LYS 92 H LYS 92 -3.890 9.174 -7.894 716 HA LYS 92 HA LYS 92 -5.438 9.125 -9.472 717 1HB LYS 92 1HB LYS 92 -5.281 10.749 -11.178 718 2HB LYS 92 2HB LYS 92 -4.353 11.379 -9.832 719 1HG LYS 92 1HG LYS 92 -2.290 11.035 -10.900 720 2HG LYS 92 2HG LYS 92 -2.894 9.715 -11.882 721 1HD LYS 92 1HD LYS 92 -4.413 11.555 -13.008 722 2HD LYS 92 2HD LYS 92 -3.299 12.697 -12.284 723 1HE LYS 92 1HE LYS 92 -2.352 12.313 -14.421 724 2HE LYS 92 2HE LYS 92 -1.405 11.270 -13.379 725 1HZ LYS 92 1HZ LYS 92 -3.715 10.425 -14.988 726 2HZ LYS 92 2HZ LYS 92 -2.149 10.099 -15.313 727 3HZ LYS 92 3HZ LYS 92 -2.861 9.449 -13.995 728 H GLU 93 H GLU 93 -3.198 7.010 -9.388 729 HA GLU 93 HA GLU 93 -3.093 6.209 -12.137 730 1HB GLU 93 1HB GLU 93 -1.988 5.032 -9.559 731 2HB GLU 93 2HB GLU 93 -1.849 4.198 -11.093 732 1HG GLU 93 1HG GLU 93 -1.010 7.084 -11.042 733 2HG GLU 93 2HG GLU 93 0.025 5.947 -10.203 734 H TYR 94 H TYR 94 -5.753 6.395 -11.392 735 HA TYR 94 HA TYR 94 -7.063 4.410 -10.178 736 1HB TYR 94 1HB TYR 94 -7.627 5.410 -13.035 737 2HB TYR 94 2HB TYR 94 -8.834 4.911 -11.866 738 HD1 TYR 94 1HD TYR 94 -8.117 7.653 -13.486 739 HD2 TYR 94 2HD TYR 94 -7.926 6.338 -9.419 740 HE1 TYR 94 1HE TYR 94 -8.345 10.058 -12.689 741 HE2 TYR 94 2HE TYR 94 -8.156 8.746 -8.637 742 HH TYR 94 HH TYR 94 -7.711 10.965 -9.495 743 H GLU 95 H GLU 95 -5.664 4.230 -13.513 744 HA GLU 95 HA GLU 95 -6.627 1.957 -14.421 745 1HB GLU 95 1HB GLU 95 -3.714 2.848 -14.444 746 2HB GLU 95 2HB GLU 95 -4.317 1.532 -15.431 747 1HG GLU 95 1HG GLU 95 -6.115 3.244 -16.268 748 2HG GLU 95 2HG GLU 95 -5.085 4.473 -15.561 749 H LYS 96 H LYS 96 -3.531 1.935 -12.500 750 HA LYS 96 HA LYS 96 -3.644 -0.829 -12.053 751 1HB LYS 96 1HB LYS 96 -2.104 1.389 -10.678 752 2HB LYS 96 2HB LYS 96 -1.862 -0.314 -10.348 753 1HG LYS 96 1HG LYS 96 -1.717 0.788 -13.182 754 2HG LYS 96 2HG LYS 96 -0.321 0.802 -12.124 755 1HD LYS 96 1HD LYS 96 -0.146 -1.543 -12.080 756 2HD LYS 96 2HD LYS 96 -1.846 -1.786 -12.430 757 1HE LYS 96 1HE LYS 96 -0.505 -0.348 -14.616 758 2HE LYS 96 2HE LYS 96 0.283 -1.877 -14.284 759 1HZ LYS 96 1HZ LYS 96 -2.612 -1.854 -14.408 760 2HZ LYS 96 2HZ LYS 96 -1.791 -1.732 -15.815 761 3HZ LYS 96 3HZ LYS 96 -1.564 -3.027 -14.847 762 H ALA 97 H ALA 97 -4.613 2.020 -10.049 763 HA ALA 97 HA ALA 97 -5.263 0.767 -7.731 764 1HB ALA 97 1HB ALA 97 -7.219 2.777 -8.734 765 2HB ALA 97 2HB ALA 97 -6.280 2.750 -7.223 766 3HB ALA 97 3HB ALA 97 -5.512 3.276 -8.740 767 H LEU 98 H LEU 98 -7.828 1.608 -10.157 768 HA LEU 98 HA LEU 98 -9.764 -0.016 -9.196 769 1HB LEU 98 1HB LEU 98 -9.143 1.303 -11.722 770 2HB LEU 98 2HB LEU 98 -10.095 -0.152 -11.946 771 HG LEU 98 HG LEU 98 -10.900 1.979 -9.963 772 1HD1 LEU 98 1HD1 LEU 98 -10.594 2.604 -12.570 773 2HD1 LEU 98 2HD1 LEU 98 -12.246 1.942 -12.602 774 3HD1 LEU 98 3HD1 LEU 98 -11.852 3.302 -11.523 775 1HD2 LEU 98 1HD2 LEU 98 -13.170 1.010 -10.402 776 2HD2 LEU 98 2HD2 LEU 98 -12.375 -0.273 -11.346 777 3HD2 LEU 98 3HD2 LEU 98 -12.025 -0.096 -9.610 778 H LYS 99 H LYS 99 -7.494 -0.933 -11.890 779 HA LYS 99 HA LYS 99 -8.198 -3.475 -12.281 780 1HB LYS 99 1HB LYS 99 -6.327 -2.155 -13.361 781 2HB LYS 99 2HB LYS 99 -5.308 -2.609 -12.010 782 1HG LYS 99 1HG LYS 99 -5.637 -5.006 -12.507 783 2HG LYS 99 2HG LYS 99 -6.780 -4.619 -13.778 784 1HD LYS 99 1HD LYS 99 -4.442 -3.101 -14.369 785 2HD LYS 99 2HD LYS 99 -3.863 -4.683 -13.890 786 1HE LYS 99 1HE LYS 99 -4.247 -5.055 -16.163 787 2HE LYS 99 2HE LYS 99 -5.787 -5.567 -15.502 788 1HZ LYS 99 1HZ LYS 99 -6.772 -3.592 -16.133 789 2HZ LYS 99 2HZ LYS 99 -5.360 -2.792 -16.314 790 3HZ LYS 99 3HZ LYS 99 -5.799 -3.927 -17.402 791 H TYR 100 H TYR 100 -6.488 -2.177 -9.420 792 HA TYR 100 HA TYR 100 -6.122 -4.833 -8.336 793 1HB TYR 100 1HB TYR 100 -5.296 -2.004 -7.934 794 2HB TYR 100 2HB TYR 100 -5.694 -2.765 -6.406 795 HD1 TYR 100 1HD TYR 100 -2.946 -1.757 -7.617 796 HD2 TYR 100 2HD TYR 100 -4.767 -5.602 -7.157 797 HE1 TYR 100 1HE TYR 100 -0.649 -2.847 -7.554 798 HE2 TYR 100 2HE TYR 100 -2.464 -6.677 -7.096 799 HH TYR 100 HH TYR 100 -0.022 -5.763 -8.187 800 H VAL 101 H VAL 101 -8.192 -1.927 -7.824 801 HA VAL 101 HA VAL 101 -9.410 -2.901 -5.481 802 HB VAL 101 HB VAL 101 -9.498 -0.607 -7.182 803 1HG1 VAL 101 1HG1 VAL 101 -11.957 -0.080 -6.871 804 2HG1 VAL 101 2HG1 VAL 101 -11.584 -1.308 -8.104 805 3HG1 VAL 101 3HG1 VAL 101 -12.200 -1.806 -6.509 806 1HG2 VAL 101 1HG2 VAL 101 -10.584 -1.167 -4.402 807 2HG2 VAL 101 2HG2 VAL 101 -8.979 -0.520 -4.818 808 3HG2 VAL 101 3HG2 VAL 101 -10.438 0.450 -5.131 809 H ARG 102 H ARG 102 -10.513 -2.814 -8.944 810 HA ARG 102 HA ARG 102 -12.858 -4.143 -8.506 811 1HB ARG 102 1HB ARG 102 -11.073 -4.312 -10.987 812 2HB ARG 102 2HB ARG 102 -12.791 -4.656 -10.947 813 1HG ARG 102 1HG ARG 102 -11.521 -1.955 -10.288 814 2HG ARG 102 2HG ARG 102 -12.317 -2.354 -11.797 815 1HD ARG 102 1HD ARG 102 -14.086 -3.030 -9.587 816 2HD ARG 102 2HD ARG 102 -13.522 -1.382 -9.384 817 HE ARG 102 HE ARG 102 -14.645 -0.748 -11.367 818 1HH1 ARG 102 1HH1 ARG 102 -14.696 -4.247 -10.988 819 2HH1 ARG 102 2HH1 ARG 102 -15.871 -4.493 -12.236 820 1HH2 ARG 102 1HH2 ARG 102 -16.197 -1.073 -13.014 821 2HH2 ARG 102 2HH2 ARG 102 -16.731 -2.676 -13.396 822 H GLY 103 H GLY 103 -9.518 -5.355 -9.009 823 1HA GLY 103 1HA GLY 103 -10.352 -8.120 -9.202 824 2HA GLY 103 2HA GLY 103 -8.717 -7.486 -9.195 825 H LEU 104 H LEU 104 -10.529 -6.050 -6.666 826 HA LEU 104 HA LEU 104 -9.442 -8.020 -4.777 827 1HB LEU 104 1HB LEU 104 -8.250 -5.957 -4.621 828 2HB LEU 104 2HB LEU 104 -9.732 -5.025 -4.575 829 HG LEU 104 HG LEU 104 -8.468 -5.332 -2.386 830 1HD1 LEU 104 1HD1 LEU 104 -11.196 -5.096 -2.954 831 2HD1 LEU 104 2HD1 LEU 104 -11.094 -6.308 -1.654 832 3HD1 LEU 104 3HD1 LEU 104 -10.369 -4.698 -1.429 833 1HD2 LEU 104 1HD2 LEU 104 -8.742 -7.367 -1.147 834 2HD2 LEU 104 2HD2 LEU 104 -9.734 -8.082 -2.439 835 3HD2 LEU 104 3HD2 LEU 104 -8.007 -7.759 -2.720 836 H LEU 105 H LEU 105 -12.206 -5.985 -5.767 837 HA LEU 105 HA LEU 105 -13.837 -6.417 -3.576 838 1HB LEU 105 1HB LEU 105 -14.212 -5.688 -6.431 839 2HB LEU 105 2HB LEU 105 -15.628 -6.229 -5.553 840 HG LEU 105 HG LEU 105 -15.203 -3.725 -5.646 841 1HD1 LEU 105 1HD1 LEU 105 -15.519 -5.022 -2.925 842 2HD1 LEU 105 2HD1 LEU 105 -15.978 -3.356 -3.351 843 3HD1 LEU 105 3HD1 LEU 105 -16.812 -4.731 -4.113 844 1HD2 LEU 105 1HD2 LEU 105 -12.871 -3.559 -5.278 845 2HD2 LEU 105 2HD2 LEU 105 -13.655 -2.881 -3.830 846 3HD2 LEU 105 3HD2 LEU 105 -12.961 -4.520 -3.782 847 H GLN 106 H GLN 106 -12.834 -8.565 -6.191 848 HA GLN 106 HA GLN 106 -14.886 -10.346 -6.202 849 1HB GLN 106 1HB GLN 106 -11.938 -10.498 -6.738 850 2HB GLN 106 2HB GLN 106 -12.788 -12.022 -6.578 851 1HG GLN 106 1HG GLN 106 -12.860 -11.428 -8.919 852 2HG GLN 106 2HG GLN 106 -14.477 -11.189 -8.288 853 1HE2 GLN 106 1HE2 GLN 106 -15.096 -9.026 -7.610 854 2HE2 GLN 106 2HE2 GLN 106 -14.470 -7.645 -8.447 855 H THR 107 H THR 107 -11.839 -10.618 -4.222 856 HA THR 107 HA THR 107 -13.052 -12.653 -2.583 857 HB THR 107 HB THR 107 -10.560 -12.382 -3.389 858 HG1 THR 107 1HG THR 107 -11.195 -12.691 -0.543 859 1HG2 THR 107 1HG2 THR 107 -10.509 -9.977 -2.260 860 2HG2 THR 107 2HG2 THR 107 -10.330 -10.899 -0.749 861 3HG2 THR 107 3HG2 THR 107 -9.119 -11.067 -2.042 862 H GLU 108 H GLU 108 -13.672 -9.446 -2.777 863 HA GLU 108 HA GLU 108 -14.529 -9.438 -0.045 864 1HB GLU 108 1HB GLU 108 -12.738 -7.185 -1.053 865 2HB GLU 108 2HB GLU 108 -13.467 -7.301 0.536 866 1HG GLU 108 1HG GLU 108 -12.193 -9.504 0.856 867 2HG GLU 108 2HG GLU 108 -11.348 -9.155 -0.639 868 HA PRO 109 HA PRO 109 -17.230 -7.410 -3.118 869 1HB PRO 109 1HB PRO 109 -19.369 -9.103 -2.959 870 2HB PRO 109 2HB PRO 109 -18.123 -9.246 -4.182 871 1HG PRO 109 1HG PRO 109 -18.552 -10.905 -1.773 872 2HG PRO 109 2HG PRO 109 -17.608 -11.270 -3.204 873 1HD PRO 109 1HD PRO 109 -16.600 -10.458 -0.644 874 2HD PRO 109 2HD PRO 109 -15.667 -10.711 -2.106 875 H GLN 110 H GLN 110 -18.274 -8.942 -0.121 876 HA GLN 110 HA GLN 110 -20.248 -7.001 0.317 877 1HB GLN 110 1HB GLN 110 -20.497 -8.043 2.507 878 2HB GLN 110 2HB GLN 110 -20.270 -9.298 1.305 879 1HG GLN 110 1HG GLN 110 -17.912 -9.553 1.917 880 2HG GLN 110 2HG GLN 110 -17.979 -8.152 2.967 881 1HE2 GLN 110 1HE2 GLN 110 -17.415 -11.088 3.357 882 2HE2 GLN 110 2HE2 GLN 110 -18.412 -11.584 4.684 883 H ASN 111 H ASN 111 -16.790 -7.063 0.732 884 HA ASN 111 HA ASN 111 -16.526 -5.405 2.913 885 1HB ASN 111 1HB ASN 111 -14.585 -6.564 2.000 886 2HB ASN 111 2HB ASN 111 -14.800 -5.823 0.426 887 1HD2 ASN 111 1HD2 ASN 111 -12.399 -5.577 1.299 888 2HD2 ASN 111 2HD2 ASN 111 -12.024 -4.015 1.945 889 H ASN 112 H ASN 112 -17.037 -3.218 3.146 890 HA ASN 112 HA ASN 112 -18.032 -1.826 0.895 891 1HB ASN 112 1HB ASN 112 -17.374 -0.681 3.654 892 2HB ASN 112 2HB ASN 112 -18.525 -0.039 2.499 893 1HD2 ASN 112 1HD2 ASN 112 -20.335 -1.450 1.871 894 2HD2 ASN 112 2HD2 ASN 112 -21.064 -2.470 3.067 895 H GLN 113 H GLN 113 -15.187 -1.585 3.139 896 HA GLN 113 HA GLN 113 -14.048 0.685 2.348 897 1HB GLN 113 1HB GLN 113 -12.719 -1.988 2.954 898 2HB GLN 113 2HB GLN 113 -11.814 -0.495 2.793 899 1HG GLN 113 1HG GLN 113 -12.511 0.301 4.827 900 2HG GLN 113 2HG GLN 113 -14.160 -0.243 4.588 901 1HE2 GLN 113 1HE2 GLN 113 -13.310 -0.547 7.014 902 2HE2 GLN 113 2HE2 GLN 113 -12.889 -2.178 7.416 903 H ALA 114 H ALA 114 -14.284 -2.336 0.487 904 HA ALA 114 HA ALA 114 -12.438 -1.380 -1.523 905 1HB ALA 114 1HB ALA 114 -13.166 -3.870 -0.595 906 2HB ALA 114 2HB ALA 114 -14.121 -3.744 -2.092 907 3HB ALA 114 3HB ALA 114 -12.350 -3.560 -2.146 908 H LYS 115 H LYS 115 -15.971 -2.151 -1.207 909 HA LYS 115 HA LYS 115 -16.752 -1.493 -3.739 910 1HB LYS 115 1HB LYS 115 -18.093 -1.383 -1.053 911 2HB LYS 115 2HB LYS 115 -18.930 -0.763 -2.460 912 1HG LYS 115 1HG LYS 115 -18.288 -3.030 -3.601 913 2HG LYS 115 2HG LYS 115 -17.916 -3.590 -1.984 914 1HD LYS 115 1HD LYS 115 -20.118 -3.801 -1.431 915 2HD LYS 115 2HD LYS 115 -20.516 -2.218 -2.069 916 1HE LYS 115 1HE LYS 115 -20.635 -3.118 -4.364 917 2HE LYS 115 2HE LYS 115 -20.077 -4.686 -3.817 918 1HZ LYS 115 1HZ LYS 115 -22.256 -3.979 -2.268 919 2HZ LYS 115 2HZ LYS 115 -22.669 -3.702 -3.824 920 3HZ LYS 115 3HZ LYS 115 -22.156 -5.184 -3.367 921 H GLU 116 H GLU 116 -16.664 0.739 -0.869 922 HA GLU 116 HA GLU 116 -17.417 2.995 -2.104 923 1HB GLU 116 1HB GLU 116 -15.658 2.348 0.214 924 2HB GLU 116 2HB GLU 116 -15.476 3.971 -0.422 925 1HG GLU 116 1HG GLU 116 -18.233 2.818 0.144 926 2HG GLU 116 2HG GLU 116 -17.288 3.556 1.422 927 H LEU 117 H LEU 117 -13.938 1.996 -1.678 928 HA LEU 117 HA LEU 117 -12.726 3.924 -3.101 929 1HB LEU 117 1HB LEU 117 -12.098 1.360 -2.130 930 2HB LEU 117 2HB LEU 117 -11.589 1.370 -3.807 931 HG LEU 117 HG LEU 117 -10.605 3.031 -1.512 932 1HD1 LEU 117 1HD1 LEU 117 -8.438 2.437 -2.975 933 2HD1 LEU 117 2HD1 LEU 117 -9.118 1.340 -1.749 934 3HD1 LEU 117 3HD1 LEU 117 -9.495 1.093 -3.471 935 1HD2 LEU 117 1HD2 LEU 117 -10.592 4.898 -2.724 936 2HD2 LEU 117 2HD2 LEU 117 -9.350 4.119 -3.736 937 3HD2 LEU 117 3HD2 LEU 117 -11.065 4.033 -4.208 938 H GLU 118 H GLU 118 -13.909 0.808 -4.560 939 HA GLU 118 HA GLU 118 -13.364 1.282 -7.114 940 1HB GLU 118 1HB GLU 118 -14.415 -0.784 -6.382 941 2HB GLU 118 2HB GLU 118 -15.886 0.055 -5.926 942 1HG GLU 118 1HG GLU 118 -14.934 0.311 -8.780 943 2HG GLU 118 2HG GLU 118 -15.663 -1.206 -8.289 944 H ARG 119 H ARG 119 -16.428 2.351 -5.468 945 HA ARG 119 HA ARG 119 -17.380 3.710 -7.677 946 1HB ARG 119 1HB ARG 119 -17.992 3.591 -4.752 947 2HB ARG 119 2HB ARG 119 -18.530 5.053 -5.554 948 1HG ARG 119 1HG ARG 119 -19.290 3.066 -7.363 949 2HG ARG 119 2HG ARG 119 -19.543 2.281 -5.817 950 1HD ARG 119 1HD ARG 119 -20.657 5.026 -6.577 951 2HD ARG 119 2HD ARG 119 -21.574 3.533 -6.609 952 HE ARG 119 HE ARG 119 -20.474 3.692 -4.020 953 1HH1 ARG 119 1HH1 ARG 119 -22.671 5.597 -6.002 954 2HH1 ARG 119 2HH1 ARG 119 -23.550 6.226 -4.648 955 1HH2 ARG 119 1HH2 ARG 119 -21.633 4.521 -2.234 956 2HH2 ARG 119 2HH2 ARG 119 -22.956 5.611 -2.491 957 H LEU 120 H LEU 120 -15.229 4.650 -4.965 958 HA LEU 120 HA LEU 120 -15.310 7.407 -5.333 959 1HB LEU 120 1HB LEU 120 -13.173 5.575 -4.245 960 2HB LEU 120 2HB LEU 120 -13.069 7.324 -4.192 961 HG LEU 120 HG LEU 120 -15.345 5.765 -2.946 962 1HD1 LEU 120 1HD1 LEU 120 -12.595 6.252 -1.970 963 2HD1 LEU 120 2HD1 LEU 120 -13.903 6.613 -0.818 964 3HD1 LEU 120 3HD1 LEU 120 -13.771 4.989 -1.534 965 1HD2 LEU 120 1HD2 LEU 120 -14.398 8.616 -2.539 966 2HD2 LEU 120 2HD2 LEU 120 -15.844 8.107 -3.443 967 3HD2 LEU 120 3HD2 LEU 120 -15.747 7.823 -1.689 968 H ILE 121 H ILE 121 -12.562 5.239 -6.306 969 HA ILE 121 HA ILE 121 -11.282 6.965 -7.933 970 HB ILE 121 HB ILE 121 -11.668 3.992 -8.285 971 1HG1 ILE 121 1HG1 ILE 121 -9.109 4.884 -7.246 972 2HG1 ILE 121 2HG1 ILE 121 -10.421 5.456 -6.237 973 1HG2 ILE 121 1HG2 ILE 121 -10.667 4.291 -10.262 974 2HG2 ILE 121 2HG2 ILE 121 -10.173 5.956 -9.873 975 3HG2 ILE 121 3HG2 ILE 121 -9.195 4.582 -9.305 976 1HD1 ILE 121 1HD1 ILE 121 -9.998 2.564 -7.121 977 2HD1 ILE 121 2HD1 ILE 121 -9.673 3.220 -5.500 978 3HD1 ILE 121 3HD1 ILE 121 -11.343 3.141 -6.108 979 H ASP 122 H ASP 122 -14.121 4.898 -8.781 980 HA ASP 122 HA ASP 122 -14.260 5.281 -11.409 981 1HB ASP 122 1HB ASP 122 -15.913 4.141 -9.719 982 2HB ASP 122 2HB ASP 122 -16.717 5.697 -9.667 983 H LYS 123 H LYS 123 -15.313 7.550 -8.788 984 HA LYS 123 HA LYS 123 -16.226 9.517 -10.658 985 1HB LYS 123 1HB LYS 123 -15.925 9.415 -7.654 986 2HB LYS 123 2HB LYS 123 -16.363 10.895 -8.483 987 1HG LYS 123 1HG LYS 123 -18.194 9.410 -9.670 988 2HG LYS 123 2HG LYS 123 -17.898 8.279 -8.366 989 1HD LYS 123 1HD LYS 123 -18.320 10.180 -6.718 990 2HD LYS 123 2HD LYS 123 -18.783 11.187 -8.075 991 1HE LYS 123 1HE LYS 123 -20.106 8.497 -7.501 992 2HE LYS 123 2HE LYS 123 -20.704 10.002 -6.834 993 1HZ LYS 123 1HZ LYS 123 -20.821 9.046 -9.532 994 2HZ LYS 123 2HZ LYS 123 -21.834 10.050 -8.737 995 3HZ LYS 123 3HZ LYS 123 -20.457 10.631 -9.394 996 H ALA 124 H ALA 124 -13.344 8.991 -8.550 997 HA ALA 124 HA ALA 124 -12.058 11.349 -8.821 998 1HB ALA 124 1HB ALA 124 -11.445 8.962 -7.765 999 2HB ALA 124 2HB ALA 124 -10.456 8.851 -9.242 1000 3HB ALA 124 3HB ALA 124 -10.203 10.192 -8.097 1001 H MET 125 H MET 125 -12.332 8.706 -11.255 1002 HA MET 125 HA MET 125 -10.533 9.801 -13.057 1003 1HB MET 125 1HB MET 125 -13.016 8.046 -13.471 1004 2HB MET 125 2HB MET 125 -11.808 8.317 -14.710 1005 1HG MET 125 1HG MET 125 -10.428 7.525 -12.297 1006 2HG MET 125 2HG MET 125 -11.749 6.402 -12.550 1007 1HE MET 125 1HE MET 125 -10.604 4.615 -12.756 1008 2HE MET 125 2HE MET 125 -10.924 4.070 -14.420 1009 3HE MET 125 3HE MET 125 -9.249 4.203 -13.833 1010 H LYS 126 H LYS 126 -14.091 10.229 -12.632 1011 HA LYS 126 HA LYS 126 -14.108 12.115 -14.847 1012 1HB LYS 126 1HB LYS 126 -16.057 10.371 -13.537 1013 2HB LYS 126 2HB LYS 126 -16.667 11.997 -13.766 1014 1HG LYS 126 1HG LYS 126 -15.200 11.068 -16.138 1015 2HG LYS 126 2HG LYS 126 -16.499 9.966 -15.724 1016 1HD LYS 126 1HD LYS 126 -18.174 11.619 -15.982 1017 2HD LYS 126 2HD LYS 126 -17.051 12.943 -15.745 1018 1HE LYS 126 1HE LYS 126 -15.944 12.328 -17.947 1019 2HE LYS 126 2HE LYS 126 -17.185 11.115 -18.191 1020 1HZ LYS 126 1HZ LYS 126 -18.120 13.765 -17.555 1021 2HZ LYS 126 2HZ LYS 126 -17.421 13.588 -19.021 1022 3HZ LYS 126 3HZ LYS 126 -18.714 12.677 -18.617 1023 H LYS 127 H LYS 127 -12.581 12.661 -12.361 1024 HA LYS 127 HA LYS 127 -14.109 15.018 -11.500 1025 1HB LYS 127 1HB LYS 127 -12.578 12.992 -9.911 1026 2HB LYS 127 2HB LYS 127 -12.546 14.660 -9.378 1027 1HG LYS 127 1HG LYS 127 -15.015 14.734 -9.313 1028 2HG LYS 127 2HG LYS 127 -15.113 13.118 -9.982 1029 1HD LYS 127 1HD LYS 127 -14.479 12.093 -7.992 1030 2HD LYS 127 2HD LYS 127 -13.458 13.428 -7.497 1031 1HE LYS 127 1HE LYS 127 -16.291 14.226 -7.663 1032 2HE LYS 127 2HE LYS 127 -16.059 12.881 -6.564 1033 1HZ LYS 127 1HZ LYS 127 -14.170 14.260 -5.647 1034 2HZ LYS 127 2HZ LYS 127 -14.815 15.525 -6.456 1035 3HZ LYS 127 3HZ LYS 127 -15.686 14.762 -5.304 1036 H SER 128 H SER 128 -10.816 13.565 -11.939 1037 HA SER 128 HA SER 128 -10.001 16.167 -12.924 1038 1HB SER 128 1HB SER 128 -7.940 16.145 -11.633 1039 2HB SER 128 2HB SER 128 -9.289 15.978 -10.527 1040 HG SER 128 HG SER 128 -7.243 14.155 -11.162 1041 H GLY 129 H GLY 129 -8.638 16.031 -14.732 1042 1HA GLY 129 1HA GLY 129 -7.943 13.290 -15.588 1043 2HA GLY 129 2HA GLY 129 -8.306 14.632 -16.653 1044 HA PRO 130 HA PRO 130 -3.842 14.688 -16.455 1045 1HB PRO 130 1HB PRO 130 -3.422 15.390 -19.063 1046 2HB PRO 130 2HB PRO 130 -3.503 13.726 -18.519 1047 1HG PRO 130 1HG PRO 130 -5.525 15.293 -20.002 1048 2HG PRO 130 2HG PRO 130 -5.398 13.554 -19.824 1049 1HD PRO 130 1HD PRO 130 -7.226 15.290 -18.456 1050 2HD PRO 130 2HD PRO 130 -7.019 13.570 -18.194 1051 H SER 131 H SER 131 -5.558 17.083 -18.418 1052 HA SER 131 HA SER 131 -4.013 19.062 -16.934 1053 1HB SER 131 1HB SER 131 -4.416 20.551 -18.955 1054 2HB SER 131 2HB SER 131 -3.367 19.178 -19.244 1055 HG SER 131 HG SER 131 -6.050 18.562 -19.687 1056 H SER 132 H SER 132 -5.261 20.136 -15.452 1057 HA SER 132 HA SER 132 -8.111 20.120 -15.854 1058 1HB SER 132 1HB SER 132 -6.706 19.684 -13.623 1059 2HB SER 132 2HB SER 132 -6.767 21.431 -13.489 1060 HG SER 132 HG SER 132 -8.566 20.141 -12.452 1061 H GLY 133 H GLY 133 -5.545 22.556 -14.968 1062 1HA GLY 133 1HA GLY 133 -7.207 24.620 -16.282 1063 2HA GLY 133 2HA GLY 133 -6.158 24.900 -14.907 Start of MODEL 6 1 H GLY 1 H GLY 1 -9.774 -1.349 24.980 2 1HA GLY 1 1HA GLY 1 -7.731 -0.038 24.417 3 2HA GLY 1 2HA GLY 1 -6.857 -1.551 24.530 4 H SER 2 H SER 2 -7.002 0.128 22.165 5 HA SER 2 HA SER 2 -7.464 0.091 20.037 6 1HB SER 2 1HB SER 2 -7.594 -2.939 20.353 7 2HB SER 2 2HB SER 2 -7.199 -2.060 18.890 8 HG SER 2 HG SER 2 -5.297 -2.864 20.016 9 H SER 3 H SER 3 -9.497 1.059 19.773 10 HA SER 3 HA SER 3 -11.589 -0.707 19.040 11 1HB SER 3 1HB SER 3 -12.101 -0.777 21.382 12 2HB SER 3 2HB SER 3 -11.805 0.940 21.583 13 HG SER 3 HG SER 3 -13.830 1.355 21.031 14 H GLY 4 H GLY 4 -12.906 0.307 17.503 15 1HA GLY 4 1HA GLY 4 -14.017 2.493 17.001 16 2HA GLY 4 2HA GLY 4 -12.416 3.198 17.112 17 H SER 5 H SER 5 -14.658 2.316 14.901 18 HA SER 5 HA SER 5 -12.984 0.859 13.117 19 1HB SER 5 1HB SER 5 -15.665 0.992 13.399 20 2HB SER 5 2HB SER 5 -15.487 2.239 12.180 21 HG SER 5 HG SER 5 -15.744 0.338 11.032 22 H SER 6 H SER 6 -12.795 1.767 10.732 23 HA SER 6 HA SER 6 -12.102 4.593 10.959 24 1HB SER 6 1HB SER 6 -10.342 4.060 9.179 25 2HB SER 6 2HB SER 6 -10.033 3.415 10.780 26 HG SER 6 HG SER 6 -10.418 1.365 10.097 27 H GLY 7 H GLY 7 -12.476 2.082 8.342 28 1HA GLY 7 1HA GLY 7 -14.342 2.074 6.872 29 2HA GLY 7 2HA GLY 7 -14.520 3.803 7.095 30 H MET 8 H MET 8 -14.148 4.735 5.116 31 HA MET 8 HA MET 8 -11.618 4.009 3.860 32 1HB MET 8 1HB MET 8 -13.416 3.027 2.511 33 2HB MET 8 2HB MET 8 -14.365 4.497 2.598 34 1HG MET 8 1HG MET 8 -13.419 5.088 0.612 35 2HG MET 8 2HG MET 8 -11.941 5.387 1.504 36 1HE MET 8 1HE MET 8 -10.210 3.420 2.090 37 2HE MET 8 2HE MET 8 -9.595 2.654 0.605 38 3HE MET 8 3HE MET 8 -9.821 4.419 0.670 39 H GLU 9 H GLU 9 -14.307 6.462 3.866 40 HA GLU 9 HA GLU 9 -12.804 8.489 2.772 41 1HB GLU 9 1HB GLU 9 -15.429 8.146 3.692 42 2HB GLU 9 2HB GLU 9 -14.804 9.411 4.730 43 1HG GLU 9 1HG GLU 9 -14.065 10.703 2.723 44 2HG GLU 9 2HG GLU 9 -14.669 9.433 1.677 45 H ALA 10 H ALA 10 -12.558 6.978 5.861 46 HA ALA 10 HA ALA 10 -11.342 9.341 7.069 47 1HB ALA 10 1HB ALA 10 -11.611 6.696 8.466 48 2HB ALA 10 2HB ALA 10 -11.782 8.346 9.109 49 3HB ALA 10 3HB ALA 10 -13.088 7.632 8.134 50 H VAL 11 H VAL 11 -10.654 6.037 5.858 51 HA VAL 11 HA VAL 11 -8.023 5.911 6.839 52 HB VAL 11 HB VAL 11 -9.689 4.482 4.820 53 1HG1 VAL 11 1HG1 VAL 11 -7.710 4.573 3.535 54 2HG1 VAL 11 2HG1 VAL 11 -6.670 4.355 4.963 55 3HG1 VAL 11 3HG1 VAL 11 -7.653 2.998 4.362 56 1HG2 VAL 11 1HG2 VAL 11 -8.961 4.114 7.518 57 2HG2 VAL 11 2HG2 VAL 11 -9.867 2.993 6.473 58 3HG2 VAL 11 3HG2 VAL 11 -8.098 2.852 6.606 59 H LEU 12 H LEU 12 -9.404 6.865 3.622 60 HA LEU 12 HA LEU 12 -6.904 7.503 2.512 61 1HB LEU 12 1HB LEU 12 -9.757 7.836 1.820 62 2HB LEU 12 2HB LEU 12 -8.659 8.984 1.080 63 HG LEU 12 HG LEU 12 -8.439 5.966 0.891 64 1HD1 LEU 12 1HD1 LEU 12 -8.873 7.404 -1.597 65 2HD1 LEU 12 2HD1 LEU 12 -9.738 6.007 -0.914 66 3HD1 LEU 12 3HD1 LEU 12 -10.201 7.660 -0.440 67 1HD2 LEU 12 1HD2 LEU 12 -6.240 6.842 0.763 68 2HD2 LEU 12 2HD2 LEU 12 -6.755 6.515 -0.909 69 3HD2 LEU 12 3HD2 LEU 12 -6.755 8.184 -0.288 70 H ASN 13 H ASN 13 -9.360 9.376 4.351 71 HA ASN 13 HA ASN 13 -8.281 11.861 3.910 72 1HB ASN 13 1HB ASN 13 -10.117 10.590 5.866 73 2HB ASN 13 2HB ASN 13 -9.257 11.958 6.542 74 1HD2 ASN 13 1HD2 ASN 13 -10.781 11.043 3.449 75 2HD2 ASN 13 2HD2 ASN 13 -11.658 12.514 3.194 76 H GLU 14 H GLU 14 -8.130 10.113 7.100 77 HA GLU 14 HA GLU 14 -6.057 11.506 8.127 78 1HB GLU 14 1HB GLU 14 -7.608 9.311 8.889 79 2HB GLU 14 2HB GLU 14 -5.983 8.653 8.883 80 1HG GLU 14 1HG GLU 14 -5.496 11.031 10.139 81 2HG GLU 14 2HG GLU 14 -7.164 10.790 10.622 82 H LEU 15 H LEU 15 -3.810 11.484 7.995 83 HA LEU 15 HA LEU 15 -2.694 9.509 6.127 84 1HB LEU 15 1HB LEU 15 -1.007 11.258 5.594 85 2HB LEU 15 2HB LEU 15 -2.637 11.594 5.048 86 HG LEU 15 HG LEU 15 -2.843 12.988 7.240 87 1HD1 LEU 15 1HD1 LEU 15 0.091 12.424 7.110 88 2HD1 LEU 15 2HD1 LEU 15 -0.452 14.034 7.641 89 3HD1 LEU 15 3HD1 LEU 15 -0.988 12.580 8.517 90 1HD2 LEU 15 1HD2 LEU 15 -1.783 13.601 4.593 91 2HD2 LEU 15 2HD2 LEU 15 -2.979 14.471 5.584 92 3HD2 LEU 15 3HD2 LEU 15 -1.240 14.756 5.833 93 H VAL 16 H VAL 16 -0.491 8.781 6.588 94 HA VAL 16 HA VAL 16 -0.156 8.048 9.234 95 HB VAL 16 HB VAL 16 0.890 7.328 6.861 96 1HG1 VAL 16 1HG1 VAL 16 3.378 8.331 8.180 97 2HG1 VAL 16 2HG1 VAL 16 3.040 8.007 6.463 98 3HG1 VAL 16 3HG1 VAL 16 2.413 9.487 7.228 99 1HG2 VAL 16 1HG2 VAL 16 1.672 6.768 9.699 100 2HG2 VAL 16 2HG2 VAL 16 0.931 5.699 8.483 101 3HG2 VAL 16 3HG2 VAL 16 2.666 6.086 8.389 102 H SER 17 H SER 17 2.249 8.557 10.264 103 HA SER 17 HA SER 17 2.539 11.448 10.206 104 1HB SER 17 1HB SER 17 2.642 9.898 12.815 105 2HB SER 17 2HB SER 17 2.525 11.632 12.593 106 HG SER 17 HG SER 17 0.398 10.577 11.326 107 H VAL 18 H VAL 18 4.690 12.109 10.175 108 HA VAL 18 HA VAL 18 6.704 10.488 9.476 109 HB VAL 18 HB VAL 18 6.622 13.001 9.595 110 1HG1 VAL 18 1HG1 VAL 18 7.630 12.564 12.426 111 2HG1 VAL 18 2HG1 VAL 18 7.441 14.122 11.586 112 3HG1 VAL 18 3HG1 VAL 18 6.006 13.153 12.000 113 1HG2 VAL 18 1HG2 VAL 18 8.700 12.613 8.863 114 2HG2 VAL 18 2HG2 VAL 18 9.238 12.851 10.543 115 3HG2 VAL 18 3HG2 VAL 18 8.901 11.211 9.941 116 H GLU 19 H GLU 19 5.909 11.442 12.889 117 HA GLU 19 HA GLU 19 7.863 10.156 14.177 118 1HB GLU 19 1HB GLU 19 5.580 11.425 14.934 119 2HB GLU 19 2HB GLU 19 5.120 9.779 15.322 120 1HG GLU 19 1HG GLU 19 7.233 9.525 16.665 121 2HG GLU 19 2HG GLU 19 7.648 11.189 16.304 122 H ASP 20 H ASP 20 4.695 8.675 13.179 123 HA ASP 20 HA ASP 20 5.411 6.136 14.085 124 1HB ASP 20 1HB ASP 20 3.229 7.391 12.522 125 2HB ASP 20 2HB ASP 20 3.541 5.735 12.041 126 H LEU 21 H LEU 21 5.240 7.682 10.790 127 HA LEU 21 HA LEU 21 5.973 5.638 9.201 128 1HB LEU 21 1HB LEU 21 5.449 8.111 8.704 129 2HB LEU 21 2HB LEU 21 7.173 8.375 8.875 130 HG LEU 21 HG LEU 21 6.389 8.093 6.524 131 1HD1 LEU 21 1HD1 LEU 21 8.733 7.406 7.580 132 2HD1 LEU 21 2HD1 LEU 21 8.230 5.799 7.004 133 3HD1 LEU 21 3HD1 LEU 21 8.353 7.156 5.859 134 1HD2 LEU 21 1HD2 LEU 21 5.579 6.081 5.662 135 2HD2 LEU 21 2HD2 LEU 21 6.076 5.151 7.096 136 3HD2 LEU 21 3HD2 LEU 21 4.700 6.275 7.198 137 H LYS 22 H LYS 22 8.097 7.573 11.359 138 HA LYS 22 HA LYS 22 10.487 6.385 10.424 139 1HB LYS 22 1HB LYS 22 9.666 8.183 12.657 140 2HB LYS 22 2HB LYS 22 11.169 7.305 12.856 141 1HG LYS 22 1HG LYS 22 10.751 8.584 10.178 142 2HG LYS 22 2HG LYS 22 10.978 9.685 11.522 143 1HD LYS 22 1HD LYS 22 13.087 8.489 12.147 144 2HD LYS 22 2HD LYS 22 12.861 7.388 10.802 145 1HE LYS 22 1HE LYS 22 13.338 9.033 9.187 146 2HE LYS 22 2HE LYS 22 12.852 10.354 10.231 147 1HZ LYS 22 1HZ LYS 22 15.116 8.755 11.069 148 2HZ LYS 22 2HZ LYS 22 15.344 9.785 9.822 149 3HZ LYS 22 3HZ LYS 22 14.842 10.353 11.269 150 H ASN 23 H ASN 23 8.446 5.855 13.381 151 HA ASN 23 HA ASN 23 9.846 3.935 14.570 152 1HB ASN 23 1HB ASN 23 6.883 4.405 14.215 153 2HB ASN 23 2HB ASN 23 7.365 2.892 14.956 154 1HD2 ASN 23 1HD2 ASN 23 6.149 3.872 16.752 155 2HD2 ASN 23 2HD2 ASN 23 6.985 4.877 17.888 156 H PHE 24 H PHE 24 8.014 3.756 11.524 157 HA PHE 24 HA PHE 24 8.266 0.864 11.427 158 1HB PHE 24 1HB PHE 24 6.927 3.103 9.835 159 2HB PHE 24 2HB PHE 24 7.096 1.522 9.098 160 HD1 PHE 24 1HD PHE 24 6.211 2.555 12.578 161 HD2 PHE 24 2HD PHE 24 5.024 0.513 9.052 162 HE1 PHE 24 1HE PHE 24 4.112 1.794 13.725 163 HE2 PHE 24 2HE PHE 24 2.925 -0.248 10.199 164 HZ PHE 24 HZ PHE 24 2.494 0.401 12.522 165 H GLU 25 H GLU 25 9.001 3.677 9.230 166 HA GLU 25 HA GLU 25 10.435 2.428 7.379 167 1HB GLU 25 1HB GLU 25 9.903 4.962 7.725 168 2HB GLU 25 2HB GLU 25 11.445 5.038 8.556 169 1HG GLU 25 1HG GLU 25 12.654 4.317 6.584 170 2HG GLU 25 2HG GLU 25 11.178 3.849 5.763 171 H ARG 26 H ARG 26 11.357 2.935 10.751 172 HA ARG 26 HA ARG 26 14.101 2.407 10.276 173 1HB ARG 26 1HB ARG 26 13.927 3.633 12.234 174 2HB ARG 26 2HB ARG 26 12.345 2.986 12.622 175 1HG ARG 26 1HG ARG 26 13.269 0.966 13.541 176 2HG ARG 26 2HG ARG 26 14.835 1.249 12.810 177 1HD ARG 26 1HD ARG 26 15.466 2.201 14.779 178 2HD ARG 26 2HD ARG 26 14.431 3.554 14.366 179 HE ARG 26 HE ARG 26 12.736 1.588 15.479 180 1HH1 ARG 26 1HH1 ARG 26 15.473 3.540 16.518 181 2HH1 ARG 26 2HH1 ARG 26 14.984 3.569 18.180 182 1HH2 ARG 26 1HH2 ARG 26 12.091 1.626 17.670 183 2HH2 ARG 26 2HH2 ARG 26 13.047 2.473 18.840 184 H LYS 27 H LYS 27 11.421 0.655 12.021 185 HA LYS 27 HA LYS 27 12.700 -1.655 12.611 186 1HB LYS 27 1HB LYS 27 10.141 -0.734 12.791 187 2HB LYS 27 2HB LYS 27 9.942 -1.985 11.582 188 1HG LYS 27 1HG LYS 27 10.281 -3.663 13.094 189 2HG LYS 27 2HG LYS 27 11.676 -2.867 13.797 190 1HD LYS 27 1HD LYS 27 9.914 -1.234 14.880 191 2HD LYS 27 2HD LYS 27 8.743 -2.478 14.485 192 1HE LYS 27 1HE LYS 27 11.221 -3.477 15.818 193 2HE LYS 27 2HE LYS 27 10.232 -2.422 16.808 194 1HZ LYS 27 1HZ LYS 27 8.338 -3.841 16.257 195 2HZ LYS 27 2HZ LYS 27 9.321 -4.855 15.438 196 3HZ LYS 27 3HZ LYS 27 9.510 -4.657 17.048 197 H PHE 28 H PHE 28 11.027 -0.865 9.489 198 HA PHE 28 HA PHE 28 11.547 -3.263 8.233 199 1HB PHE 28 1HB PHE 28 10.057 -1.352 7.472 200 2HB PHE 28 2HB PHE 28 11.478 -0.373 7.173 201 HD1 PHE 28 1HD PHE 28 11.712 -0.043 4.907 202 HD2 PHE 28 2HD PHE 28 10.632 -3.906 6.294 203 HE1 PHE 28 1HE PHE 28 11.822 -0.919 2.556 204 HE2 PHE 28 2HE PHE 28 10.741 -4.781 3.944 205 HZ PHE 28 HZ PHE 28 11.334 -3.276 2.103 206 H GLN 29 H GLN 29 13.409 -0.150 7.895 207 HA GLN 29 HA GLN 29 15.398 -1.188 6.345 208 1HB GLN 29 1HB GLN 29 15.468 1.070 8.390 209 2HB GLN 29 2HB GLN 29 16.782 0.750 7.276 210 1HG GLN 29 1HG GLN 29 15.417 1.227 5.351 211 2HG GLN 29 2HG GLN 29 13.933 1.138 6.279 212 1HE2 GLN 29 1HE2 GLN 29 15.282 3.252 4.606 213 2HE2 GLN 29 2HE2 GLN 29 15.288 4.686 5.577 214 H SER 30 H SER 30 15.114 -1.057 9.942 215 HA SER 30 HA SER 30 17.626 -1.890 10.574 216 1HB SER 30 1HB SER 30 15.209 -1.446 11.925 217 2HB SER 30 2HB SER 30 15.553 -3.130 12.263 218 HG SER 30 HG SER 30 17.892 -1.868 12.562 219 H GLU 31 H GLU 31 14.740 -3.797 9.570 220 HA GLU 31 HA GLU 31 16.183 -6.248 9.943 221 1HB GLU 31 1HB GLU 31 13.391 -5.655 8.871 222 2HB GLU 31 2HB GLU 31 14.039 -7.273 9.056 223 1HG GLU 31 1HG GLU 31 13.854 -5.268 11.352 224 2HG GLU 31 2HG GLU 31 12.610 -6.454 11.006 225 H GLN 32 H GLN 32 15.545 -3.887 7.435 226 HA GLN 32 HA GLN 32 15.892 -5.670 5.273 227 1HB GLN 32 1HB GLN 32 14.813 -3.215 5.461 228 2HB GLN 32 2HB GLN 32 16.429 -2.721 4.997 229 1HG GLN 32 1HG GLN 32 16.338 -4.106 2.970 230 2HG GLN 32 2HG GLN 32 14.810 -4.807 3.464 231 1HE2 GLN 32 1HE2 GLN 32 14.369 -3.971 1.223 232 2HE2 GLN 32 2HE2 GLN 32 13.706 -2.378 1.071 233 H ALA 33 H ALA 33 17.969 -2.991 6.612 234 HA ALA 33 HA ALA 33 20.217 -3.734 5.098 235 1HB ALA 33 1HB ALA 33 19.697 -1.988 7.512 236 2HB ALA 33 2HB ALA 33 21.357 -2.270 6.934 237 3HB ALA 33 3HB ALA 33 20.157 -1.512 5.860 238 H ALA 34 H ALA 34 18.690 -5.128 7.875 239 HA ALA 34 HA ALA 34 20.950 -6.122 9.205 240 1HB ALA 34 1HB ALA 34 18.046 -6.354 9.294 241 2HB ALA 34 2HB ALA 34 18.828 -7.927 9.586 242 3HB ALA 34 3HB ALA 34 19.237 -6.526 10.607 243 H GLY 35 H GLY 35 19.249 -7.050 6.249 244 1HA GLY 35 1HA GLY 35 20.867 -8.382 4.826 245 2HA GLY 35 2HA GLY 35 20.822 -9.548 6.134 246 H SER 36 H SER 36 17.806 -8.365 6.408 247 HA SER 36 HA SER 36 16.349 -8.964 4.257 248 1HB SER 36 1HB SER 36 17.372 -11.458 5.539 249 2HB SER 36 2HB SER 36 15.658 -11.455 5.176 250 HG SER 36 HG SER 36 17.488 -10.565 3.161 251 H VAL 37 H VAL 37 14.114 -8.741 4.758 252 HA VAL 37 HA VAL 37 13.452 -8.848 7.612 253 HB VAL 37 HB VAL 37 13.833 -6.561 7.238 254 1HG1 VAL 37 1HG1 VAL 37 13.914 -5.752 5.160 255 2HG1 VAL 37 2HG1 VAL 37 13.034 -7.165 4.528 256 3HG1 VAL 37 3HG1 VAL 37 12.134 -5.753 5.132 257 1HG2 VAL 37 1HG2 VAL 37 11.584 -7.284 8.270 258 2HG2 VAL 37 2HG2 VAL 37 11.754 -5.591 7.748 259 3HG2 VAL 37 3HG2 VAL 37 10.860 -6.749 6.734 260 H SER 38 H SER 38 11.160 -9.230 8.039 261 HA SER 38 HA SER 38 10.100 -10.992 6.086 262 1HB SER 38 1HB SER 38 8.864 -10.008 8.697 263 2HB SER 38 2HB SER 38 8.319 -11.386 7.763 264 HG SER 38 HG SER 38 11.046 -11.505 8.367 265 H LYS 39 H LYS 39 7.777 -10.816 5.299 266 HA LYS 39 HA LYS 39 7.367 -8.416 3.986 267 1HB LYS 39 1HB LYS 39 5.042 -9.382 3.599 268 2HB LYS 39 2HB LYS 39 6.404 -10.340 3.056 269 1HG LYS 39 1HG LYS 39 5.922 -11.074 5.788 270 2HG LYS 39 2HG LYS 39 4.359 -11.032 4.996 271 1HD LYS 39 1HD LYS 39 5.396 -12.442 3.111 272 2HD LYS 39 2HD LYS 39 6.809 -12.629 4.130 273 1HE LYS 39 1HE LYS 39 5.580 -13.825 5.815 274 2HE LYS 39 2HE LYS 39 4.033 -13.318 5.167 275 1HZ LYS 39 1HZ LYS 39 4.058 -15.137 3.957 276 2HZ LYS 39 2HZ LYS 39 5.366 -14.609 3.135 277 3HZ LYS 39 3HZ LYS 39 5.556 -15.543 4.461 278 H SER 40 H SER 40 6.069 -9.652 7.111 279 HA SER 40 HA SER 40 4.126 -8.000 7.691 280 1HB SER 40 1HB SER 40 6.345 -9.179 9.280 281 2HB SER 40 2HB SER 40 5.549 -7.825 10.057 282 HG SER 40 HG SER 40 4.592 -9.983 10.493 283 H THR 41 H THR 41 7.296 -7.014 9.113 284 HA THR 41 HA THR 41 6.778 -4.381 9.422 285 HB THR 41 HB THR 41 9.384 -5.788 8.639 286 HG1 THR 41 1HG THR 41 8.213 -4.844 11.157 287 1HG2 THR 41 1HG2 THR 41 9.573 -3.275 8.449 288 2HG2 THR 41 2HG2 THR 41 8.937 -3.135 10.105 289 3HG2 THR 41 3HG2 THR 41 10.507 -3.923 9.817 290 H GLN 42 H GLN 42 8.089 -5.908 6.416 291 HA GLN 42 HA GLN 42 8.488 -3.641 4.998 292 1HB GLN 42 1HB GLN 42 9.107 -5.895 4.212 293 2HB GLN 42 2HB GLN 42 7.420 -6.325 4.016 294 1HG GLN 42 1HG GLN 42 7.119 -4.740 2.215 295 2HG GLN 42 2HG GLN 42 8.642 -3.944 2.560 296 1HE2 GLN 42 1HE2 GLN 42 7.636 -5.184 0.111 297 2HE2 GLN 42 2HE2 GLN 42 8.789 -6.383 -0.372 298 H PHE 43 H PHE 43 5.463 -5.672 4.871 299 HA PHE 43 HA PHE 43 3.973 -3.972 3.336 300 1HB PHE 43 1HB PHE 43 3.031 -6.102 3.825 301 2HB PHE 43 2HB PHE 43 3.526 -6.038 5.505 302 HD1 PHE 43 1HD PHE 43 2.095 -5.097 7.183 303 HD2 PHE 43 2HD PHE 43 0.982 -4.931 3.092 304 HE1 PHE 43 1HE PHE 43 -0.234 -4.434 7.843 305 HE2 PHE 43 2HE PHE 43 -1.347 -4.269 3.752 306 HZ PHE 43 HZ PHE 43 -1.928 -4.028 6.120 307 H GLU 44 H GLU 44 4.363 -4.001 6.935 308 HA GLU 44 HA GLU 44 2.497 -2.146 7.562 309 1HB GLU 44 1HB GLU 44 5.047 -3.101 8.762 310 2HB GLU 44 2HB GLU 44 4.515 -1.533 9.337 311 1HG GLU 44 1HG GLU 44 2.165 -2.676 9.623 312 2HG GLU 44 2HG GLU 44 3.042 -4.187 9.487 313 H TYR 45 H TYR 45 6.040 -1.365 7.232 314 HA TYR 45 HA TYR 45 5.848 1.340 7.233 315 1HB TYR 45 1HB TYR 45 7.977 0.105 7.179 316 2HB TYR 45 2HB TYR 45 7.541 -0.699 5.684 317 HD1 TYR 45 1HD TYR 45 7.694 2.898 6.775 318 HD2 TYR 45 2HD TYR 45 8.899 -0.057 3.925 319 HE1 TYR 45 1HE TYR 45 8.940 4.674 5.448 320 HE2 TYR 45 2HE TYR 45 10.142 1.729 2.609 321 HH TYR 45 HH TYR 45 10.884 3.788 2.632 322 H ALA 46 H ALA 46 5.361 -0.888 4.432 323 HA ALA 46 HA ALA 46 5.205 1.047 2.458 324 1HB ALA 46 1HB ALA 46 5.117 -1.660 2.553 325 2HB ALA 46 2HB ALA 46 3.392 -1.315 2.287 326 3HB ALA 46 3HB ALA 46 4.607 -0.720 1.131 327 H TRP 47 H TRP 47 2.526 -0.495 4.377 328 HA TRP 47 HA TRP 47 0.488 1.053 3.310 329 1HB TRP 47 1HB TRP 47 0.020 -0.949 4.522 330 2HB TRP 47 2HB TRP 47 0.785 -0.333 5.973 331 HD1 TRP 47 HD TRP 47 -1.070 0.243 7.707 332 HE1 TRP 47 1HE TRP 47 -3.474 1.331 7.756 333 HE3 TRP 47 3HE TRP 47 -1.422 0.962 2.685 334 HZ2 TRP 47 2HZ TRP 47 -5.213 2.347 5.735 335 HZ3 TRP 47 3HZ TRP 47 -3.507 2.008 1.806 336 HH2 TRP 47 HH TRP 47 -5.362 2.692 3.242 337 H CYS 48 H CYS 48 2.935 1.665 5.836 338 HA CYS 48 HA CYS 48 1.667 3.935 6.913 339 1HB CYS 48 1HB CYS 48 4.353 2.659 7.133 340 2HB CYS 48 2HB CYS 48 4.250 4.355 7.560 341 HG CYS 48 HG CYS 48 2.990 1.676 8.885 342 H LEU 49 H LEU 49 3.817 3.253 4.149 343 HA LEU 49 HA LEU 49 4.556 5.948 3.690 344 1HB LEU 49 1HB LEU 49 4.713 3.382 2.148 345 2HB LEU 49 2HB LEU 49 5.070 4.905 1.358 346 HG LEU 49 HG LEU 49 6.481 3.825 3.814 347 1HD1 LEU 49 1HD1 LEU 49 8.308 4.066 1.723 348 2HD1 LEU 49 2HD1 LEU 49 7.621 2.562 2.383 349 3HD1 LEU 49 3HD1 LEU 49 6.863 3.345 0.976 350 1HD2 LEU 49 1HD2 LEU 49 6.288 6.481 2.856 351 2HD2 LEU 49 2HD2 LEU 49 7.342 5.842 4.139 352 3HD2 LEU 49 3HD2 LEU 49 7.922 5.901 2.456 353 H VAL 50 H VAL 50 2.268 3.730 1.932 354 HA VAL 50 HA VAL 50 1.199 5.602 0.253 355 HB VAL 50 HB VAL 50 -0.843 4.107 0.333 356 1HG1 VAL 50 1HG1 VAL 50 1.860 2.780 -0.071 357 2HG1 VAL 50 2HG1 VAL 50 0.308 2.229 -0.746 358 3HG1 VAL 50 3HG1 VAL 50 1.001 3.785 -1.262 359 1HG2 VAL 50 1HG2 VAL 50 -0.045 1.830 1.547 360 2HG2 VAL 50 2HG2 VAL 50 0.689 3.028 2.641 361 3HG2 VAL 50 3HG2 VAL 50 -1.064 3.057 2.335 362 H ARG 51 H ARG 51 0.538 5.008 3.718 363 HA ARG 51 HA ARG 51 -1.745 6.630 3.769 364 1HB ARG 51 1HB ARG 51 0.061 5.319 5.784 365 2HB ARG 51 2HB ARG 51 -0.905 6.658 6.371 366 1HG ARG 51 1HG ARG 51 -2.969 5.575 5.786 367 2HG ARG 51 2HG ARG 51 -2.164 4.409 4.755 368 1HD ARG 51 1HD ARG 51 -2.877 3.464 6.993 369 2HD ARG 51 2HD ARG 51 -1.167 3.275 6.665 370 HE ARG 51 HE ARG 51 -1.448 5.745 8.016 371 1HH1 ARG 51 1HH1 ARG 51 -2.007 2.335 8.679 372 2HH1 ARG 51 2HH1 ARG 51 -1.734 2.491 10.383 373 1HH2 ARG 51 1HH2 ARG 51 -1.089 5.951 10.264 374 2HH2 ARG 51 2HH2 ARG 51 -1.208 4.561 11.290 375 H SER 52 H SER 52 1.719 7.214 3.815 376 HA SER 52 HA SER 52 2.073 9.402 5.269 377 1HB SER 52 1HB SER 52 3.741 8.221 3.745 378 2HB SER 52 2HB SER 52 3.090 9.147 2.407 379 HG SER 52 HG SER 52 5.028 10.086 3.455 380 H LYS 53 H LYS 53 2.261 11.795 4.556 381 HA LYS 53 HA LYS 53 -0.274 12.526 3.367 382 1HB LYS 53 1HB LYS 53 0.283 14.778 4.175 383 2HB LYS 53 2HB LYS 53 0.362 13.581 5.453 384 1HG LYS 53 1HG LYS 53 2.485 14.244 5.885 385 2HG LYS 53 2HG LYS 53 2.967 13.615 4.323 386 1HD LYS 53 1HD LYS 53 3.468 15.741 3.711 387 2HD LYS 53 2HD LYS 53 1.748 16.077 3.702 388 1HE LYS 53 1HE LYS 53 3.048 16.133 6.397 389 2HE LYS 53 2HE LYS 53 3.552 17.399 5.293 390 1HZ LYS 53 1HZ LYS 53 1.703 18.382 5.984 391 2HZ LYS 53 2HZ LYS 53 0.902 17.380 4.973 392 3HZ LYS 53 3HZ LYS 53 1.026 17.012 6.559 393 H TYR 54 H TYR 54 2.932 11.916 2.351 394 HA TYR 54 HA TYR 54 2.764 13.848 0.167 395 1HB TYR 54 1HB TYR 54 4.798 12.081 1.568 396 2HB TYR 54 2HB TYR 54 5.113 12.432 -0.120 397 HD1 TYR 54 1HD TYR 54 4.536 14.036 3.194 398 HD2 TYR 54 2HD TYR 54 6.051 14.507 -0.779 399 HE1 TYR 54 1HE TYR 54 5.573 16.264 3.845 400 HE2 TYR 54 2HE TYR 54 7.082 16.733 -0.115 401 HH TYR 54 HH TYR 54 6.715 18.460 1.547 402 H ASN 55 H ASN 55 3.303 13.078 -2.068 403 HA ASN 55 HA ASN 55 1.892 10.595 -2.504 404 1HB ASN 55 1HB ASN 55 2.798 12.807 -4.420 405 2HB ASN 55 2HB ASN 55 1.933 11.373 -4.935 406 1HD2 ASN 55 1HD2 ASN 55 1.661 14.526 -3.962 407 2HD2 ASN 55 2HD2 ASN 55 -0.015 14.593 -3.530 408 H GLU 56 H GLU 56 5.054 12.216 -2.824 409 HA GLU 56 HA GLU 56 6.194 10.391 -4.601 410 1HB GLU 56 1HB GLU 56 7.151 12.572 -2.795 411 2HB GLU 56 2HB GLU 56 8.353 11.381 -3.249 412 1HG GLU 56 1HG GLU 56 7.459 11.743 -5.701 413 2HG GLU 56 2HG GLU 56 6.737 13.206 -5.061 414 H ASP 57 H ASP 57 5.227 10.097 -1.316 415 HA ASP 57 HA ASP 57 7.234 8.086 -0.780 416 1HB ASP 57 1HB ASP 57 5.007 9.257 0.953 417 2HB ASP 57 2HB ASP 57 6.155 8.056 1.510 418 H ILE 58 H ILE 58 3.917 8.559 -1.811 419 HA ILE 58 HA ILE 58 2.733 6.232 -0.835 420 HB ILE 58 HB ILE 58 2.198 8.177 -3.023 421 1HG1 ILE 58 1HG1 ILE 58 0.483 7.163 -0.740 422 2HG1 ILE 58 2HG1 ILE 58 1.549 8.550 -0.631 423 1HG2 ILE 58 1HG2 ILE 58 0.031 6.713 -3.376 424 2HG2 ILE 58 2HG2 ILE 58 1.514 6.417 -4.314 425 3HG2 ILE 58 3HG2 ILE 58 1.127 5.389 -2.914 426 1HD1 ILE 58 1HD1 ILE 58 -1.112 8.365 -1.818 427 2HD1 ILE 58 2HD1 ILE 58 -0.148 9.814 -1.442 428 3HD1 ILE 58 3HD1 ILE 58 0.065 8.983 -3.002 429 H ARG 59 H ARG 59 4.234 6.898 -4.080 430 HA ARG 59 HA ARG 59 3.928 4.453 -5.137 431 1HB ARG 59 1HB ARG 59 5.000 6.568 -6.162 432 2HB ARG 59 2HB ARG 59 6.504 6.073 -5.411 433 1HG ARG 59 1HG ARG 59 6.183 3.796 -6.611 434 2HG ARG 59 2HG ARG 59 4.914 4.574 -7.534 435 1HD ARG 59 1HD ARG 59 7.292 6.269 -7.506 436 2HD ARG 59 2HD ARG 59 7.720 4.657 -8.042 437 HE ARG 59 HE ARG 59 6.389 4.943 -9.971 438 1HH1 ARG 59 1HH1 ARG 59 5.809 7.564 -7.695 439 2HH1 ARG 59 2HH1 ARG 59 4.913 8.520 -8.827 440 1HH2 ARG 59 1HH2 ARG 59 5.207 6.204 -11.465 441 2HH2 ARG 59 2HH2 ARG 59 4.569 7.741 -10.986 442 H ARG 60 H ARG 60 6.477 5.588 -2.849 443 HA ARG 60 HA ARG 60 8.153 3.459 -2.987 444 1HB ARG 60 1HB ARG 60 7.487 5.555 -0.981 445 2HB ARG 60 2HB ARG 60 8.209 4.121 -0.280 446 1HG ARG 60 1HG ARG 60 10.252 4.777 -1.000 447 2HG ARG 60 2HG ARG 60 9.697 4.723 -2.662 448 1HD ARG 60 1HD ARG 60 8.782 7.052 -2.421 449 2HD ARG 60 2HD ARG 60 9.371 7.105 -0.772 450 HE ARG 60 HE ARG 60 10.971 7.385 -3.197 451 1HH1 ARG 60 1HH1 ARG 60 11.067 6.434 0.189 452 2HH1 ARG 60 2HH1 ARG 60 12.763 6.742 0.359 453 1HH2 ARG 60 1HH2 ARG 60 13.208 7.792 -2.974 454 2HH2 ARG 60 2HH2 ARG 60 13.990 7.519 -1.452 455 H GLY 61 H GLY 61 4.925 3.712 -1.577 456 1HA GLY 61 1HA GLY 61 5.217 1.267 -0.012 457 2HA GLY 61 2HA GLY 61 3.826 2.331 -0.089 458 H ILE 62 H ILE 62 4.370 2.259 -3.241 459 HA ILE 62 HA ILE 62 2.438 0.213 -3.701 460 HB ILE 62 HB ILE 62 4.008 2.009 -5.552 461 1HG1 ILE 62 1HG1 ILE 62 1.180 2.160 -4.469 462 2HG1 ILE 62 2HG1 ILE 62 2.510 3.234 -4.082 463 1HG2 ILE 62 1HG2 ILE 62 2.918 -0.343 -6.331 464 2HG2 ILE 62 2HG2 ILE 62 1.513 0.738 -6.507 465 3HG2 ILE 62 3HG2 ILE 62 3.029 1.101 -7.366 466 1HD1 ILE 62 1HD1 ILE 62 1.159 2.894 -6.793 467 2HD1 ILE 62 2HD1 ILE 62 1.152 4.339 -5.755 468 3HD1 ILE 62 3HD1 ILE 62 2.656 3.826 -6.556 469 H VAL 63 H VAL 63 5.929 0.700 -4.564 470 HA VAL 63 HA VAL 63 6.340 -1.615 -5.939 471 HB VAL 63 HB VAL 63 8.686 -1.432 -5.085 472 1HG1 VAL 63 1HG1 VAL 63 7.435 1.167 -6.036 473 2HG1 VAL 63 2HG1 VAL 63 9.142 0.691 -6.196 474 3HG1 VAL 63 3HG1 VAL 63 7.882 -0.206 -7.076 475 1HG2 VAL 63 1HG2 VAL 63 8.651 -0.631 -2.923 476 2HG2 VAL 63 2HG2 VAL 63 9.021 0.861 -3.820 477 3HG2 VAL 63 3HG2 VAL 63 7.360 0.546 -3.261 478 H LEU 64 H LEU 64 6.730 -1.140 -2.353 479 HA LEU 64 HA LEU 64 7.323 -3.756 -1.748 480 1HB LEU 64 1HB LEU 64 5.656 -2.023 0.048 481 2HB LEU 64 2HB LEU 64 6.885 -3.198 0.475 482 HG LEU 64 HG LEU 64 7.281 -0.433 -0.679 483 1HD1 LEU 64 1HD1 LEU 64 7.821 -1.759 1.957 484 2HD1 LEU 64 2HD1 LEU 64 8.844 -0.405 1.420 485 3HD1 LEU 64 3HD1 LEU 64 7.089 -0.176 1.602 486 1HD2 LEU 64 1HD2 LEU 64 9.516 -0.811 -1.125 487 2HD2 LEU 64 2HD2 LEU 64 9.587 -2.270 -0.108 488 3HD2 LEU 64 3HD2 LEU 64 8.765 -2.324 -1.686 489 H LEU 65 H LEU 65 4.056 -2.226 -1.280 490 HA LEU 65 HA LEU 65 2.681 -4.545 -0.871 491 1HB LEU 65 1HB LEU 65 1.871 -1.922 -2.107 492 2HB LEU 65 2HB LEU 65 0.721 -3.216 -1.828 493 HG LEU 65 HG LEU 65 2.428 -2.190 0.430 494 1HD1 LEU 65 1HD1 LEU 65 0.211 -0.773 -0.935 495 2HD1 LEU 65 2HD1 LEU 65 0.144 -0.824 0.843 496 3HD1 LEU 65 3HD1 LEU 65 1.570 -0.141 0.024 497 1HD2 LEU 65 1HD2 LEU 65 0.670 -4.274 0.273 498 2HD2 LEU 65 2HD2 LEU 65 1.108 -3.411 1.766 499 3HD2 LEU 65 3HD2 LEU 65 -0.373 -2.968 0.885 500 H GLU 66 H GLU 66 4.104 -3.313 -3.839 501 HA GLU 66 HA GLU 66 2.480 -4.967 -5.496 502 1HB GLU 66 1HB GLU 66 4.761 -3.048 -5.899 503 2HB GLU 66 2HB GLU 66 4.467 -4.231 -7.159 504 1HG GLU 66 1HG GLU 66 2.010 -3.495 -7.142 505 2HG GLU 66 2HG GLU 66 2.477 -2.190 -6.069 506 H GLU 67 H GLU 67 5.641 -5.120 -3.863 507 HA GLU 67 HA GLU 67 6.329 -7.509 -5.309 508 1HB GLU 67 1HB GLU 67 7.720 -5.601 -3.484 509 2HB GLU 67 2HB GLU 67 8.263 -7.264 -3.383 510 1HG GLU 67 1HG GLU 67 7.893 -6.386 -6.177 511 2HG GLU 67 2HG GLU 67 9.042 -5.380 -5.316 512 H LEU 68 H LEU 68 4.622 -6.570 -2.448 513 HA LEU 68 HA LEU 68 5.207 -8.990 -1.001 514 1HB LEU 68 1HB LEU 68 3.504 -6.563 -0.539 515 2HB LEU 68 2HB LEU 68 3.283 -7.997 0.442 516 HG LEU 68 HG LEU 68 5.828 -6.374 0.181 517 1HD1 LEU 68 1HD1 LEU 68 3.526 -6.141 1.892 518 2HD1 LEU 68 2HD1 LEU 68 4.965 -6.546 2.860 519 3HD1 LEU 68 3HD1 LEU 68 4.980 -5.116 1.799 520 1HD2 LEU 68 1HD2 LEU 68 5.324 -9.086 1.263 521 2HD2 LEU 68 2HD2 LEU 68 6.813 -8.356 0.615 522 3HD2 LEU 68 3HD2 LEU 68 6.299 -8.000 2.281 523 H LEU 69 H LEU 69 3.024 -7.896 -3.490 524 HA LEU 69 HA LEU 69 0.747 -9.294 -3.038 525 1HB LEU 69 1HB LEU 69 2.126 -8.130 -5.280 526 2HB LEU 69 2HB LEU 69 1.359 -9.628 -5.772 527 HG LEU 69 HG LEU 69 -0.256 -8.024 -6.218 528 1HD1 LEU 69 1HD1 LEU 69 -2.020 -8.877 -5.127 529 2HD1 LEU 69 2HD1 LEU 69 -0.814 -9.930 -4.350 530 3HD1 LEU 69 3HD1 LEU 69 -1.369 -8.454 -3.526 531 1HD2 LEU 69 1HD2 LEU 69 -0.800 -6.113 -4.908 532 2HD2 LEU 69 2HD2 LEU 69 0.149 -6.709 -3.524 533 3HD2 LEU 69 3HD2 LEU 69 0.976 -6.192 -5.013 534 HA PRO 70 HA PRO 70 2.690 -13.237 -4.711 535 1HB PRO 70 1HB PRO 70 5.280 -13.293 -5.580 536 2HB PRO 70 2HB PRO 70 3.915 -13.042 -6.650 537 1HG PRO 70 1HG PRO 70 5.879 -11.069 -5.659 538 2HG PRO 70 2HG PRO 70 4.793 -10.943 -7.029 539 1HD PRO 70 1HD PRO 70 4.476 -9.693 -4.467 540 2HD PRO 70 2HD PRO 70 3.334 -9.663 -5.795 541 H LYS 71 H LYS 71 4.784 -11.230 -2.829 542 HA LYS 71 HA LYS 71 5.784 -13.546 -1.404 543 1HB LYS 71 1HB LYS 71 6.345 -10.589 -1.034 544 2HB LYS 71 2HB LYS 71 7.167 -11.898 -0.210 545 1HG LYS 71 1HG LYS 71 7.709 -12.814 -2.597 546 2HG LYS 71 2HG LYS 71 7.220 -11.234 -3.178 547 1HD LYS 71 1HD LYS 71 8.891 -10.313 -1.349 548 2HD LYS 71 2HD LYS 71 9.550 -11.937 -1.366 549 1HE LYS 71 1HE LYS 71 9.112 -10.612 -4.034 550 2HE LYS 71 2HE LYS 71 10.423 -9.998 -3.047 551 1HZ LYS 71 1HZ LYS 71 11.104 -12.390 -2.826 552 2HZ LYS 71 2HZ LYS 71 10.062 -12.728 -4.037 553 3HZ LYS 71 3HZ LYS 71 11.317 -11.716 -4.297 554 H GLY 72 H GLY 72 3.092 -13.634 -1.186 555 1HA GLY 72 1HA GLY 72 2.694 -13.341 1.628 556 2HA GLY 72 2HA GLY 72 1.799 -12.136 0.723 557 H SER 73 H SER 73 0.490 -14.127 2.261 558 HA SER 73 HA SER 73 -0.185 -16.338 0.682 559 1HB SER 73 1HB SER 73 -1.247 -15.069 3.200 560 2HB SER 73 2HB SER 73 -2.244 -16.266 2.398 561 HG SER 73 HG SER 73 -0.871 -17.275 3.962 562 H LYS 74 H LYS 74 -2.912 -16.599 0.556 563 HA LYS 74 HA LYS 74 -3.562 -14.828 -1.577 564 1HB LYS 74 1HB LYS 74 -4.469 -17.364 -0.527 565 2HB LYS 74 2HB LYS 74 -5.842 -16.312 -0.808 566 1HG LYS 74 1HG LYS 74 -5.541 -17.331 -2.914 567 2HG LYS 74 2HG LYS 74 -4.727 -15.792 -3.118 568 1HD LYS 74 1HD LYS 74 -2.710 -17.427 -2.065 569 2HD LYS 74 2HD LYS 74 -3.599 -18.525 -3.102 570 1HE LYS 74 1HE LYS 74 -3.359 -16.973 -5.017 571 2HE LYS 74 2HE LYS 74 -2.576 -15.786 -3.992 572 1HZ LYS 74 1HZ LYS 74 -1.072 -17.918 -3.551 573 2HZ LYS 74 2HZ LYS 74 -1.514 -18.209 -5.096 574 3HZ LYS 74 3HZ LYS 74 -0.753 -16.816 -4.714 575 H GLU 75 H GLU 75 -4.669 -15.308 1.828 576 HA GLU 75 HA GLU 75 -6.562 -13.220 1.607 577 1HB GLU 75 1HB GLU 75 -6.737 -13.520 4.110 578 2HB GLU 75 2HB GLU 75 -6.984 -14.992 3.191 579 1HG GLU 75 1HG GLU 75 -5.037 -15.969 3.957 580 2HG GLU 75 2HG GLU 75 -4.149 -14.458 3.960 581 H GLU 76 H GLU 76 -3.139 -13.360 2.009 582 HA GLU 76 HA GLU 76 -2.980 -10.968 3.561 583 1HB GLU 76 1HB GLU 76 -1.012 -12.895 2.336 584 2HB GLU 76 2HB GLU 76 -0.442 -11.297 2.775 585 1HG GLU 76 1HG GLU 76 -2.006 -12.149 4.987 586 2HG GLU 76 2HG GLU 76 -1.091 -13.565 4.508 587 H GLN 77 H GLN 77 -3.115 -11.914 0.175 588 HA GLN 77 HA GLN 77 -1.867 -9.600 -0.825 589 1HB GLN 77 1HB GLN 77 -3.572 -11.805 -2.000 590 2HB GLN 77 2HB GLN 77 -3.212 -10.390 -2.969 591 1HG GLN 77 1HG GLN 77 -0.755 -10.751 -2.539 592 2HG GLN 77 2HG GLN 77 -1.144 -12.201 -1.635 593 1HE2 GLN 77 1HE2 GLN 77 0.098 -13.408 -3.092 594 2HE2 GLN 77 2HE2 GLN 77 -0.490 -13.869 -4.655 595 H ARG 78 H ARG 78 -4.973 -10.258 0.569 596 HA ARG 78 HA ARG 78 -6.468 -8.422 -0.903 597 1HB ARG 78 1HB ARG 78 -6.770 -9.860 1.735 598 2HB ARG 78 2HB ARG 78 -7.839 -8.505 1.430 599 1HG ARG 78 1HG ARG 78 -8.918 -10.564 0.653 600 2HG ARG 78 2HG ARG 78 -8.548 -9.557 -0.732 601 1HD ARG 78 1HD ARG 78 -6.364 -11.440 0.021 602 2HD ARG 78 2HD ARG 78 -7.845 -12.227 -0.490 603 HE ARG 78 HE ARG 78 -6.990 -10.031 -2.249 604 1HH1 ARG 78 1HH1 ARG 78 -6.781 -13.480 -1.589 605 2HH1 ARG 78 2HH1 ARG 78 -6.326 -13.893 -3.208 606 1HH2 ARG 78 1HH2 ARG 78 -6.391 -10.575 -4.387 607 2HH2 ARG 78 2HH2 ARG 78 -6.102 -12.229 -4.811 608 H ASP 79 H ASP 79 -4.491 -8.236 2.100 609 HA ASP 79 HA ASP 79 -5.331 -5.677 2.816 610 1HB ASP 79 1HB ASP 79 -3.266 -7.625 3.611 611 2HB ASP 79 2HB ASP 79 -2.686 -5.977 3.749 612 H TYR 80 H TYR 80 -2.788 -7.026 0.679 613 HA TYR 80 HA TYR 80 -1.288 -4.660 0.376 614 1HB TYR 80 1HB TYR 80 -1.824 -7.089 -1.447 615 2HB TYR 80 2HB TYR 80 -0.471 -5.993 -1.650 616 HD1 TYR 80 1HD TYR 80 -0.318 -5.886 1.625 617 HD2 TYR 80 2HD TYR 80 -0.086 -8.913 -1.389 618 HE1 TYR 80 1HE TYR 80 1.085 -7.332 3.176 619 HE2 TYR 80 2HE TYR 80 1.317 -10.350 0.172 620 HH TYR 80 HH TYR 80 1.446 -10.409 2.931 621 H VAL 81 H VAL 81 -3.491 -6.293 -2.020 622 HA VAL 81 HA VAL 81 -3.582 -4.312 -3.862 623 HB VAL 81 HB VAL 81 -5.869 -6.068 -2.947 624 1HG1 VAL 81 1HG1 VAL 81 -6.823 -4.510 -4.416 625 2HG1 VAL 81 2HG1 VAL 81 -5.380 -4.463 -5.457 626 3HG1 VAL 81 3HG1 VAL 81 -6.435 -5.897 -5.462 627 1HG2 VAL 81 1HG2 VAL 81 -4.618 -7.100 -5.273 628 2HG2 VAL 81 2HG2 VAL 81 -3.321 -6.729 -4.111 629 3HG2 VAL 81 3HG2 VAL 81 -4.657 -7.806 -3.639 630 H PHE 82 H PHE 82 -5.917 -4.698 -1.097 631 HA PHE 82 HA PHE 82 -7.484 -2.589 -1.404 632 1HB PHE 82 1HB PHE 82 -7.437 -4.179 0.542 633 2HB PHE 82 2HB PHE 82 -5.934 -3.475 1.102 634 HD1 PHE 82 1HD PHE 82 -8.959 -1.694 -0.122 635 HD2 PHE 82 2HD PHE 82 -6.503 -2.638 3.207 636 HE1 PHE 82 1HE PHE 82 -10.247 -0.066 1.289 637 HE2 PHE 82 2HE PHE 82 -7.790 -1.010 4.617 638 HZ PHE 82 HZ PHE 82 -9.647 0.257 3.643 639 H TYR 83 H TYR 83 -4.077 -2.449 -0.223 640 HA TYR 83 HA TYR 83 -4.234 0.402 0.152 641 1HB TYR 83 1HB TYR 83 -2.066 -1.783 0.178 642 2HB TYR 83 2HB TYR 83 -1.681 -0.106 0.514 643 HD1 TYR 83 1HD TYR 83 -0.884 -1.830 2.560 644 HD2 TYR 83 2HD TYR 83 -4.830 -0.350 1.830 645 HE1 TYR 83 1HE TYR 83 -1.477 -2.183 5.008 646 HE2 TYR 83 2HE TYR 83 -5.411 -0.709 4.279 647 HH TYR 83 HH TYR 83 -2.958 -1.895 6.557 648 H LEU 84 H LEU 84 -2.466 -1.880 -2.057 649 HA LEU 84 HA LEU 84 -1.053 -0.176 -3.552 650 1HB LEU 84 1HB LEU 84 -2.180 -2.791 -3.856 651 2HB LEU 84 2HB LEU 84 -2.314 -1.939 -5.380 652 HG LEU 84 HG LEU 84 0.275 -2.183 -3.829 653 1HD1 LEU 84 1HD1 LEU 84 0.517 -4.272 -4.523 654 2HD1 LEU 84 2HD1 LEU 84 -1.119 -4.227 -5.224 655 3HD1 LEU 84 3HD1 LEU 84 0.287 -3.760 -6.212 656 1HD2 LEU 84 1HD2 LEU 84 0.507 -1.825 -6.691 657 2HD2 LEU 84 2HD2 LEU 84 -0.452 -0.517 -5.959 658 3HD2 LEU 84 3HD2 LEU 84 1.187 -0.859 -5.360 659 H ALA 85 H ALA 85 -4.611 -0.633 -3.649 660 HA ALA 85 HA ALA 85 -4.938 1.078 -5.907 661 1HB ALA 85 1HB ALA 85 -6.455 -0.836 -5.084 662 2HB ALA 85 2HB ALA 85 -7.042 0.315 -3.860 663 3HB ALA 85 3HB ALA 85 -7.255 0.671 -5.591 664 H VAL 86 H VAL 86 -5.453 1.382 -2.327 665 HA VAL 86 HA VAL 86 -6.391 3.951 -2.283 666 HB VAL 86 HB VAL 86 -4.620 2.429 -0.369 667 1HG1 VAL 86 1HG1 VAL 86 -4.528 4.988 -0.150 668 2HG1 VAL 86 2HG1 VAL 86 -6.228 4.881 0.364 669 3HG1 VAL 86 3HG1 VAL 86 -4.961 4.053 1.300 670 1HG2 VAL 86 1HG2 VAL 86 -7.091 1.763 -1.036 671 2HG2 VAL 86 2HG2 VAL 86 -6.543 1.679 0.656 672 3HG2 VAL 86 3HG2 VAL 86 -7.513 3.065 0.102 673 H GLY 87 H GLY 87 -2.968 2.786 -2.363 674 1HA GLY 87 1HA GLY 87 -1.831 5.387 -2.256 675 2HA GLY 87 2HA GLY 87 -1.036 3.894 -2.716 676 H ASN 88 H ASN 88 -2.326 2.999 -4.961 677 HA ASN 88 HA ASN 88 -1.249 4.501 -6.939 678 1HB ASN 88 1HB ASN 88 -3.363 2.366 -6.787 679 2HB ASN 88 2HB ASN 88 -3.292 3.264 -8.290 680 1HD2 ASN 88 1HD2 ASN 88 -2.293 0.558 -6.860 681 2HD2 ASN 88 2HD2 ASN 88 -0.788 0.251 -7.660 682 H TYR 89 H TYR 89 -4.686 4.370 -5.753 683 HA TYR 89 HA TYR 89 -5.876 6.073 -7.520 684 1HB TYR 89 1HB TYR 89 -7.213 4.974 -5.851 685 2HB TYR 89 2HB TYR 89 -6.091 5.372 -4.564 686 HD1 TYR 89 1HD TYR 89 -8.615 6.907 -6.854 687 HD2 TYR 89 2HD TYR 89 -6.503 7.204 -3.145 688 HE1 TYR 89 1HE TYR 89 -10.089 8.860 -6.163 689 HE2 TYR 89 2HE TYR 89 -7.984 9.156 -2.466 690 HH TYR 89 HH TYR 89 -9.352 10.970 -3.929 691 H ARG 90 H ARG 90 -4.114 6.932 -4.468 692 HA ARG 90 HA ARG 90 -4.640 9.591 -4.499 693 1HB ARG 90 1HB ARG 90 -2.984 7.841 -3.048 694 2HB ARG 90 2HB ARG 90 -1.846 8.985 -3.729 695 1HG ARG 90 1HG ARG 90 -4.380 9.974 -2.380 696 2HG ARG 90 2HG ARG 90 -2.985 9.531 -1.417 697 1HD ARG 90 1HD ARG 90 -1.785 11.383 -2.062 698 2HD ARG 90 2HD ARG 90 -2.316 11.274 -3.729 699 HE ARG 90 HE ARG 90 -4.554 12.058 -2.128 700 1HH1 ARG 90 1HH1 ARG 90 -1.475 13.334 -3.258 701 2HH1 ARG 90 2HH1 ARG 90 -1.998 14.985 -3.214 702 1HH2 ARG 90 1HH2 ARG 90 -5.245 14.234 -2.071 703 2HH2 ARG 90 2HH2 ARG 90 -4.156 15.501 -2.535 704 H LEU 91 H LEU 91 -2.298 7.689 -6.415 705 HA LEU 91 HA LEU 91 -1.045 10.081 -7.453 706 1HB LEU 91 1HB LEU 91 -0.602 7.126 -7.782 707 2HB LEU 91 2HB LEU 91 0.164 8.282 -8.853 708 HG LEU 91 HG LEU 91 1.410 9.266 -7.075 709 1HD1 LEU 91 1HD1 LEU 91 -0.407 7.700 -5.245 710 2HD1 LEU 91 2HD1 LEU 91 1.157 8.353 -4.704 711 3HD1 LEU 91 3HD1 LEU 91 -0.110 9.454 -5.295 712 1HD2 LEU 91 1HD2 LEU 91 1.398 6.248 -6.986 713 2HD2 LEU 91 2HD2 LEU 91 2.496 7.334 -7.871 714 3HD2 LEU 91 3HD2 LEU 91 2.583 7.232 -6.096 715 H LYS 92 H LYS 92 -4.028 9.069 -7.836 716 HA LYS 92 HA LYS 92 -5.552 9.315 -9.416 717 1HB LYS 92 1HB LYS 92 -3.286 10.624 -10.942 718 2HB LYS 92 2HB LYS 92 -4.935 10.555 -11.529 719 1HG LYS 92 1HG LYS 92 -5.317 11.478 -8.942 720 2HG LYS 92 2HG LYS 92 -3.774 12.206 -9.342 721 1HD LYS 92 1HD LYS 92 -5.138 12.721 -11.661 722 2HD LYS 92 2HD LYS 92 -6.476 12.707 -10.530 723 1HE LYS 92 1HE LYS 92 -5.765 14.620 -9.438 724 2HE LYS 92 2HE LYS 92 -4.067 14.227 -9.622 725 1HZ LYS 92 1HZ LYS 92 -3.972 15.355 -11.511 726 2HZ LYS 92 2HZ LYS 92 -5.371 14.751 -12.098 727 3HZ LYS 92 3HZ LYS 92 -5.397 16.031 -11.084 728 H GLU 93 H GLU 93 -3.217 7.104 -9.325 729 HA GLU 93 HA GLU 93 -3.355 6.061 -11.951 730 1HB GLU 93 1HB GLU 93 -2.304 5.001 -9.305 731 2HB GLU 93 2HB GLU 93 -2.302 4.007 -10.747 732 1HG GLU 93 1HG GLU 93 -1.118 6.801 -10.828 733 2HG GLU 93 2HG GLU 93 -0.180 5.469 -10.182 734 H TYR 94 H TYR 94 -5.936 6.416 -11.585 735 HA TYR 94 HA TYR 94 -7.420 4.647 -10.108 736 1HB TYR 94 1HB TYR 94 -7.920 5.581 -12.998 737 2HB TYR 94 2HB TYR 94 -9.154 5.237 -11.803 738 HD1 TYR 94 1HD TYR 94 -7.872 6.683 -9.439 739 HD2 TYR 94 2HD TYR 94 -8.450 7.833 -13.520 740 HE1 TYR 94 1HE TYR 94 -7.886 9.131 -8.756 741 HE2 TYR 94 2HE TYR 94 -8.462 10.278 -12.822 742 HH TYR 94 HH TYR 94 -9.054 11.521 -10.638 743 H GLU 95 H GLU 95 -6.024 4.222 -13.418 744 HA GLU 95 HA GLU 95 -7.221 1.952 -14.162 745 1HB GLU 95 1HB GLU 95 -4.368 2.914 -14.515 746 2HB GLU 95 2HB GLU 95 -4.879 1.393 -15.220 747 1HG GLU 95 1HG GLU 95 -6.889 2.766 -16.205 748 2HG GLU 95 2HG GLU 95 -5.934 4.182 -15.810 749 H LYS 96 H LYS 96 -3.898 1.807 -12.697 750 HA LYS 96 HA LYS 96 -3.988 -0.862 -12.074 751 1HB LYS 96 1HB LYS 96 -2.476 1.405 -10.747 752 2HB LYS 96 2HB LYS 96 -2.170 -0.292 -10.434 753 1HG LYS 96 1HG LYS 96 -2.130 0.862 -13.255 754 2HG LYS 96 2HG LYS 96 -0.704 0.849 -12.236 755 1HD LYS 96 1HD LYS 96 -1.146 -1.701 -11.939 756 2HD LYS 96 2HD LYS 96 -2.271 -1.546 -13.273 757 1HE LYS 96 1HE LYS 96 -0.556 -1.650 -14.751 758 2HE LYS 96 2HE LYS 96 0.144 -0.200 -14.060 759 1HZ LYS 96 1HZ LYS 96 0.703 -2.976 -13.387 760 2HZ LYS 96 2HZ LYS 96 1.748 -1.763 -13.708 761 3HZ LYS 96 3HZ LYS 96 0.973 -1.814 -12.272 762 H ALA 97 H ALA 97 -4.956 1.980 -10.052 763 HA ALA 97 HA ALA 97 -5.518 0.726 -7.714 764 1HB ALA 97 1HB ALA 97 -6.970 2.968 -9.166 765 2HB ALA 97 2HB ALA 97 -7.297 2.522 -7.475 766 3HB ALA 97 3HB ALA 97 -5.685 3.114 -7.943 767 H LEU 98 H LEU 98 -8.130 1.467 -10.128 768 HA LEU 98 HA LEU 98 -10.023 -0.176 -9.090 769 1HB LEU 98 1HB LEU 98 -9.523 1.208 -11.572 770 2HB LEU 98 2HB LEU 98 -10.315 -0.324 -11.882 771 HG LEU 98 HG LEU 98 -11.999 1.350 -11.684 772 1HD1 LEU 98 1HD1 LEU 98 -11.803 -0.806 -9.730 773 2HD1 LEU 98 2HD1 LEU 98 -12.864 0.516 -9.186 774 3HD1 LEU 98 3HD1 LEU 98 -13.175 -0.291 -10.742 775 1HD2 LEU 98 1HD2 LEU 98 -11.733 2.188 -8.939 776 2HD2 LEU 98 2HD2 LEU 98 -10.246 2.558 -9.845 777 3HD2 LEU 98 3HD2 LEU 98 -11.815 3.166 -10.425 778 H LYS 99 H LYS 99 -7.741 -1.064 -11.781 779 HA LYS 99 HA LYS 99 -8.418 -3.633 -12.137 780 1HB LYS 99 1HB LYS 99 -6.211 -1.981 -12.740 781 2HB LYS 99 2HB LYS 99 -5.532 -3.434 -12.033 782 1HG LYS 99 1HG LYS 99 -5.734 -4.188 -14.210 783 2HG LYS 99 2HG LYS 99 -7.330 -4.634 -13.640 784 1HD LYS 99 1HD LYS 99 -8.264 -2.501 -14.514 785 2HD LYS 99 2HD LYS 99 -6.669 -1.998 -15.037 786 1HE LYS 99 1HE LYS 99 -6.898 -3.145 -16.981 787 2HE LYS 99 2HE LYS 99 -7.166 -4.640 -16.106 788 1HZ LYS 99 1HZ LYS 99 -9.368 -2.766 -16.226 789 2HZ LYS 99 2HZ LYS 99 -9.001 -3.575 -17.596 790 3HZ LYS 99 3HZ LYS 99 -9.390 -4.399 -16.241 791 H TYR 100 H TYR 100 -6.872 -2.215 -9.280 792 HA TYR 100 HA TYR 100 -6.370 -4.869 -8.183 793 1HB TYR 100 1HB TYR 100 -5.527 -2.024 -7.859 794 2HB TYR 100 2HB TYR 100 -5.837 -2.787 -6.312 795 HD1 TYR 100 1HD TYR 100 -4.939 -5.622 -7.140 796 HD2 TYR 100 2HD TYR 100 -3.162 -1.762 -7.643 797 HE1 TYR 100 1HE TYR 100 -2.630 -6.685 -7.206 798 HE2 TYR 100 2HE TYR 100 -0.860 -2.838 -7.707 799 HH TYR 100 HH TYR 100 -0.514 -6.368 -7.517 800 H VAL 101 H VAL 101 -8.487 -2.002 -7.798 801 HA VAL 101 HA VAL 101 -9.616 -2.923 -5.353 802 HB VAL 101 HB VAL 101 -9.801 -0.642 -7.149 803 1HG1 VAL 101 1HG1 VAL 101 -12.344 -1.821 -6.031 804 2HG1 VAL 101 2HG1 VAL 101 -12.168 -0.066 -6.269 805 3HG1 VAL 101 3HG1 VAL 101 -12.024 -1.171 -7.657 806 1HG2 VAL 101 1HG2 VAL 101 -10.452 -0.982 -4.201 807 2HG2 VAL 101 2HG2 VAL 101 -8.851 -0.592 -4.872 808 3HG2 VAL 101 3HG2 VAL 101 -10.196 0.558 -5.056 809 H ARG 102 H ARG 102 -10.072 -3.595 -8.767 810 HA ARG 102 HA ARG 102 -12.743 -4.438 -8.508 811 1HB ARG 102 1HB ARG 102 -10.605 -4.978 -10.626 812 2HB ARG 102 2HB ARG 102 -12.263 -5.522 -10.790 813 1HG ARG 102 1HG ARG 102 -11.384 -2.615 -10.444 814 2HG ARG 102 2HG ARG 102 -11.880 -3.349 -11.956 815 1HD ARG 102 1HD ARG 102 -13.939 -3.898 -10.010 816 2HD ARG 102 2HD ARG 102 -13.547 -2.194 -9.897 817 HE ARG 102 HE ARG 102 -14.375 -1.857 -12.080 818 1HH1 ARG 102 1HH1 ARG 102 -14.114 -5.301 -11.404 819 2HH1 ARG 102 2HH1 ARG 102 -14.999 -5.775 -12.815 820 1HH2 ARG 102 1HH2 ARG 102 -15.544 -2.483 -13.941 821 2HH2 ARG 102 2HH2 ARG 102 -15.819 -4.161 -14.268 822 H GLY 103 H GLY 103 -9.550 -6.153 -8.835 823 1HA GLY 103 1HA GLY 103 -10.583 -8.761 -8.574 824 2HA GLY 103 2HA GLY 103 -8.921 -8.254 -8.338 825 H LEU 104 H LEU 104 -9.399 -6.313 -6.203 826 HA LEU 104 HA LEU 104 -9.359 -8.095 -4.019 827 1HB LEU 104 1HB LEU 104 -8.068 -6.034 -4.113 828 2HB LEU 104 2HB LEU 104 -9.539 -5.081 -4.143 829 HG LEU 104 HG LEU 104 -8.348 -5.181 -1.933 830 1HD1 LEU 104 1HD1 LEU 104 -10.285 -4.767 -0.874 831 2HD1 LEU 104 2HD1 LEU 104 -11.003 -4.986 -2.487 832 3HD1 LEU 104 3HD1 LEU 104 -10.995 -6.335 -1.326 833 1HD2 LEU 104 1HD2 LEU 104 -8.108 -7.078 -0.692 834 2HD2 LEU 104 2HD2 LEU 104 -9.521 -7.877 -1.422 835 3HD2 LEU 104 3HD2 LEU 104 -7.988 -7.782 -2.322 836 H LEU 105 H LEU 105 -11.890 -6.290 -5.693 837 HA LEU 105 HA LEU 105 -13.741 -6.534 -3.509 838 1HB LEU 105 1HB LEU 105 -13.745 -5.380 -6.254 839 2HB LEU 105 2HB LEU 105 -15.289 -5.820 -5.552 840 HG LEU 105 HG LEU 105 -13.310 -4.016 -4.144 841 1HD1 LEU 105 1HD1 LEU 105 -15.659 -3.120 -5.832 842 2HD1 LEU 105 2HD1 LEU 105 -14.471 -2.099 -4.986 843 3HD1 LEU 105 3HD1 LEU 105 -13.963 -3.094 -6.372 844 1HD2 LEU 105 1HD2 LEU 105 -15.357 -3.279 -2.922 845 2HD2 LEU 105 2HD2 LEU 105 -16.257 -4.583 -3.736 846 3HD2 LEU 105 3HD2 LEU 105 -14.909 -4.979 -2.641 847 H GLN 106 H GLN 106 -12.724 -8.376 -6.350 848 HA GLN 106 HA GLN 106 -14.998 -9.886 -6.700 849 1HB GLN 106 1HB GLN 106 -12.292 -9.858 -7.652 850 2HB GLN 106 2HB GLN 106 -12.651 -11.505 -7.173 851 1HG GLN 106 1HG GLN 106 -14.950 -10.431 -8.577 852 2HG GLN 106 2HG GLN 106 -13.517 -10.123 -9.538 853 1HE2 GLN 106 1HE2 GLN 106 -14.132 -11.590 -11.100 854 2HE2 GLN 106 2HE2 GLN 106 -14.037 -13.307 -10.890 855 H THR 107 H THR 107 -12.089 -10.473 -4.616 856 HA THR 107 HA THR 107 -13.371 -12.812 -3.465 857 HB THR 107 HB THR 107 -10.950 -12.833 -4.052 858 HG1 THR 107 1HG THR 107 -11.518 -12.588 -1.182 859 1HG2 THR 107 1HG2 THR 107 -9.941 -11.289 -1.837 860 2HG2 THR 107 2HG2 THR 107 -9.607 -11.052 -3.569 861 3HG2 THR 107 3HG2 THR 107 -10.984 -10.221 -2.807 862 H GLU 108 H GLU 108 -13.274 -9.405 -2.940 863 HA GLU 108 HA GLU 108 -14.462 -9.899 -0.335 864 1HB GLU 108 1HB GLU 108 -12.537 -7.600 -0.877 865 2HB GLU 108 2HB GLU 108 -13.270 -8.016 0.660 866 1HG GLU 108 1HG GLU 108 -11.627 -10.111 -0.774 867 2HG GLU 108 2HG GLU 108 -10.792 -8.817 0.060 868 HA PRO 109 HA PRO 109 -16.953 -7.185 -3.029 869 1HB PRO 109 1HB PRO 109 -19.205 -8.725 -3.176 870 2HB PRO 109 2HB PRO 109 -17.949 -8.746 -4.397 871 1HG PRO 109 1HG PRO 109 -18.539 -10.755 -2.310 872 2HG PRO 109 2HG PRO 109 -17.595 -10.939 -3.774 873 1HD PRO 109 1HD PRO 109 -16.584 -10.645 -1.106 874 2HD PRO 109 2HD PRO 109 -15.642 -10.712 -2.581 875 H GLN 110 H GLN 110 -17.701 -8.944 -0.130 876 HA GLN 110 HA GLN 110 -19.805 -7.207 0.574 877 1HB GLN 110 1HB GLN 110 -19.520 -8.328 2.854 878 2HB GLN 110 2HB GLN 110 -19.850 -9.405 1.512 879 1HG GLN 110 1HG GLN 110 -17.595 -10.170 1.400 880 2HG GLN 110 2HG GLN 110 -16.982 -8.793 2.293 881 1HE2 GLN 110 1HE2 GLN 110 -16.515 -11.549 2.834 882 2HE2 GLN 110 2HE2 GLN 110 -17.133 -11.919 4.410 883 H ASN 111 H ASN 111 -16.364 -6.944 0.586 884 HA ASN 111 HA ASN 111 -16.026 -5.423 2.888 885 1HB ASN 111 1HB ASN 111 -14.149 -6.482 1.619 886 2HB ASN 111 2HB ASN 111 -14.449 -5.416 0.260 887 1HD2 ASN 111 1HD2 ASN 111 -11.994 -5.435 1.243 888 2HD2 ASN 111 2HD2 ASN 111 -11.618 -4.002 2.140 889 H ASN 112 H ASN 112 -16.852 -3.360 3.259 890 HA ASN 112 HA ASN 112 -18.042 -1.924 1.165 891 1HB ASN 112 1HB ASN 112 -17.259 -0.839 3.915 892 2HB ASN 112 2HB ASN 112 -18.555 -0.262 2.886 893 1HD2 ASN 112 1HD2 ASN 112 -17.970 -1.889 5.593 894 2HD2 ASN 112 2HD2 ASN 112 -19.309 -2.985 5.666 895 H GLN 113 H GLN 113 -15.128 -1.419 3.294 896 HA GLN 113 HA GLN 113 -14.232 0.928 2.461 897 1HB GLN 113 1HB GLN 113 -12.591 -1.601 2.920 898 2HB GLN 113 2HB GLN 113 -11.891 0.003 2.820 899 1HG GLN 113 1HG GLN 113 -13.303 0.750 4.739 900 2HG GLN 113 2HG GLN 113 -14.031 -0.841 4.831 901 1HE2 GLN 113 1HE2 GLN 113 -13.238 -2.119 6.302 902 2HE2 GLN 113 2HE2 GLN 113 -11.621 -2.140 6.922 903 H ALA 114 H ALA 114 -13.796 -2.206 0.704 904 HA ALA 114 HA ALA 114 -12.263 -1.095 -1.383 905 1HB ALA 114 1HB ALA 114 -14.029 -3.569 -1.458 906 2HB ALA 114 2HB ALA 114 -12.575 -3.239 -2.430 907 3HB ALA 114 3HB ALA 114 -12.429 -3.527 -0.679 908 H LYS 115 H LYS 115 -15.787 -1.692 -0.886 909 HA LYS 115 HA LYS 115 -16.643 -1.089 -3.436 910 1HB LYS 115 1HB LYS 115 -17.851 -1.056 -0.706 911 2HB LYS 115 2HB LYS 115 -18.726 -0.238 -1.985 912 1HG LYS 115 1HG LYS 115 -18.292 -2.434 -3.377 913 2HG LYS 115 2HG LYS 115 -17.932 -3.165 -1.825 914 1HD LYS 115 1HD LYS 115 -20.129 -3.197 -1.192 915 2HD LYS 115 2HD LYS 115 -20.414 -1.564 -1.760 916 1HE LYS 115 1HE LYS 115 -20.355 -2.559 -4.163 917 2HE LYS 115 2HE LYS 115 -20.453 -4.133 -3.398 918 1HZ LYS 115 1HZ LYS 115 -22.608 -3.133 -4.000 919 2HZ LYS 115 2HZ LYS 115 -22.501 -3.540 -2.422 920 3HZ LYS 115 3HZ LYS 115 -22.374 -1.976 -2.871 921 H GLU 116 H GLU 116 -16.298 1.140 -0.587 922 HA GLU 116 HA GLU 116 -17.077 3.417 -1.800 923 1HB GLU 116 1HB GLU 116 -15.152 2.769 0.411 924 2HB GLU 116 2HB GLU 116 -15.133 4.410 -0.202 925 1HG GLU 116 1HG GLU 116 -17.729 3.027 0.590 926 2HG GLU 116 2HG GLU 116 -16.752 3.894 1.759 927 H LEU 117 H LEU 117 -13.619 2.297 -1.522 928 HA LEU 117 HA LEU 117 -12.403 4.190 -2.992 929 1HB LEU 117 1HB LEU 117 -11.588 1.975 -1.828 930 2HB LEU 117 2HB LEU 117 -11.668 1.329 -3.456 931 HG LEU 117 HG LEU 117 -10.059 2.939 -4.256 932 1HD1 LEU 117 1HD1 LEU 117 -8.933 4.470 -2.533 933 2HD1 LEU 117 2HD1 LEU 117 -10.539 4.938 -3.140 934 3HD1 LEU 117 3HD1 LEU 117 -10.378 4.192 -1.532 935 1HD2 LEU 117 1HD2 LEU 117 -9.300 0.845 -3.075 936 2HD2 LEU 117 2HD2 LEU 117 -8.106 2.163 -3.151 937 3HD2 LEU 117 3HD2 LEU 117 -8.995 1.854 -1.641 938 H GLU 118 H GLU 118 -13.737 1.113 -4.403 939 HA GLU 118 HA GLU 118 -13.289 1.513 -6.965 940 1HB GLU 118 1HB GLU 118 -14.517 -0.426 -6.068 941 2HB GLU 118 2HB GLU 118 -15.921 0.572 -5.744 942 1HG GLU 118 1HG GLU 118 -14.788 0.443 -8.554 943 2HG GLU 118 2HG GLU 118 -15.808 -0.857 -7.971 944 H ARG 119 H ARG 119 -16.231 2.838 -5.275 945 HA ARG 119 HA ARG 119 -17.080 4.267 -7.488 946 1HB ARG 119 1HB ARG 119 -17.685 4.243 -4.544 947 2HB ARG 119 2HB ARG 119 -18.183 5.677 -5.418 948 1HG ARG 119 1HG ARG 119 -18.999 3.612 -7.120 949 2HG ARG 119 2HG ARG 119 -19.284 2.932 -5.529 950 1HD ARG 119 1HD ARG 119 -21.120 4.240 -5.242 951 2HD ARG 119 2HD ARG 119 -20.182 5.693 -5.528 952 HE ARG 119 HE ARG 119 -20.750 4.295 -8.013 953 1HH1 ARG 119 1HH1 ARG 119 -22.140 6.471 -5.623 954 2HH1 ARG 119 2HH1 ARG 119 -23.272 7.171 -6.730 955 1HH2 ARG 119 1HH2 ARG 119 -22.243 5.218 -9.476 956 2HH2 ARG 119 2HH2 ARG 119 -23.332 6.454 -8.936 957 H LEU 120 H LEU 120 -15.056 5.144 -4.625 958 HA LEU 120 HA LEU 120 -14.879 7.838 -4.929 959 1HB LEU 120 1HB LEU 120 -12.792 5.827 -4.092 960 2HB LEU 120 2HB LEU 120 -12.563 7.559 -3.961 961 HG LEU 120 HG LEU 120 -14.854 6.089 -2.638 962 1HD1 LEU 120 1HD1 LEU 120 -13.227 6.724 -0.574 963 2HD1 LEU 120 2HD1 LEU 120 -13.244 5.137 -1.382 964 3HD1 LEU 120 3HD1 LEU 120 -12.020 6.350 -1.828 965 1HD2 LEU 120 1HD2 LEU 120 -14.967 8.116 -1.227 966 2HD2 LEU 120 2HD2 LEU 120 -13.701 8.862 -2.230 967 3HD2 LEU 120 3HD2 LEU 120 -15.279 8.450 -2.947 968 H ILE 121 H ILE 121 -12.553 5.446 -6.386 969 HA ILE 121 HA ILE 121 -11.216 7.274 -7.950 970 HB ILE 121 HB ILE 121 -11.756 4.340 -8.413 971 1HG1 ILE 121 1HG1 ILE 121 -9.096 5.084 -7.507 972 2HG1 ILE 121 2HG1 ILE 121 -10.319 5.631 -6.379 973 1HG2 ILE 121 1HG2 ILE 121 -10.007 6.307 -9.847 974 2HG2 ILE 121 2HG2 ILE 121 -9.477 4.618 -9.671 975 3HG2 ILE 121 3HG2 ILE 121 -11.012 4.988 -10.493 976 1HD1 ILE 121 1HD1 ILE 121 -11.100 3.457 -5.943 977 2HD1 ILE 121 2HD1 ILE 121 -10.503 2.826 -7.496 978 3HD1 ILE 121 3HD1 ILE 121 -9.358 3.178 -6.180 979 H ASP 122 H ASP 122 -14.174 5.330 -8.689 980 HA ASP 122 HA ASP 122 -14.487 5.889 -11.278 981 1HB ASP 122 1HB ASP 122 -16.027 4.635 -9.572 982 2HB ASP 122 2HB ASP 122 -16.803 6.188 -9.328 983 H LYS 123 H LYS 123 -15.414 7.954 -8.437 984 HA LYS 123 HA LYS 123 -16.474 10.043 -10.032 985 1HB LYS 123 1HB LYS 123 -15.993 9.498 -7.166 986 2HB LYS 123 2HB LYS 123 -15.918 11.191 -7.613 987 1HG LYS 123 1HG LYS 123 -18.161 11.300 -8.124 988 2HG LYS 123 2HG LYS 123 -18.185 9.704 -8.846 989 1HD LYS 123 1HD LYS 123 -19.514 9.505 -6.868 990 2HD LYS 123 2HD LYS 123 -17.986 8.749 -6.463 991 1HE LYS 123 1HE LYS 123 -17.248 11.008 -5.480 992 2HE LYS 123 2HE LYS 123 -18.897 11.560 -5.699 993 1HZ LYS 123 1HZ LYS 123 -18.507 10.654 -3.504 994 2HZ LYS 123 2HZ LYS 123 -19.640 9.781 -4.294 995 3HZ LYS 123 3HZ LYS 123 -18.124 9.196 -4.132 996 H ALA 124 H ALA 124 -13.275 9.273 -8.609 997 HA ALA 124 HA ALA 124 -12.039 11.705 -8.923 998 1HB ALA 124 1HB ALA 124 -10.524 9.222 -9.629 999 2HB ALA 124 2HB ALA 124 -10.117 10.523 -8.484 1000 3HB ALA 124 3HB ALA 124 -11.304 9.276 -8.029 1001 H MET 125 H MET 125 -11.968 8.937 -11.291 1002 HA MET 125 HA MET 125 -10.693 10.140 -13.298 1003 1HB MET 125 1HB MET 125 -13.221 8.422 -13.585 1004 2HB MET 125 2HB MET 125 -11.966 8.592 -14.797 1005 1HG MET 125 1HG MET 125 -10.654 7.820 -12.362 1006 2HG MET 125 2HG MET 125 -12.055 6.782 -12.527 1007 1HE MET 125 1HE MET 125 -9.716 4.331 -13.732 1008 2HE MET 125 2HE MET 125 -10.954 4.918 -12.597 1009 3HE MET 125 3HE MET 125 -11.435 4.289 -14.192 1010 H LYS 126 H LYS 126 -14.267 10.336 -12.683 1011 HA LYS 126 HA LYS 126 -14.839 11.956 -14.877 1012 1HB LYS 126 1HB LYS 126 -16.221 10.790 -12.681 1013 2HB LYS 126 2HB LYS 126 -16.617 12.496 -12.684 1014 1HG LYS 126 1HG LYS 126 -16.609 11.250 -15.386 1015 2HG LYS 126 2HG LYS 126 -17.814 10.589 -14.299 1016 1HD LYS 126 1HD LYS 126 -18.987 12.599 -14.136 1017 2HD LYS 126 2HD LYS 126 -17.557 13.583 -14.371 1018 1HE LYS 126 1HE LYS 126 -17.551 12.596 -16.813 1019 2HE LYS 126 2HE LYS 126 -19.207 12.136 -16.472 1020 1HZ LYS 126 1HZ LYS 126 -19.858 14.240 -16.591 1021 2HZ LYS 126 2HZ LYS 126 -18.591 14.824 -15.741 1022 3HZ LYS 126 3HZ LYS 126 -18.438 14.538 -17.341 1023 H LYS 127 H LYS 127 -14.020 12.770 -11.446 1024 HA LYS 127 HA LYS 127 -14.329 15.498 -11.645 1025 1HB LYS 127 1HB LYS 127 -12.451 13.819 -9.964 1026 2HB LYS 127 2HB LYS 127 -12.646 15.547 -9.754 1027 1HG LYS 127 1HG LYS 127 -14.816 15.354 -8.925 1028 2HG LYS 127 2HG LYS 127 -15.165 13.911 -9.856 1029 1HD LYS 127 1HD LYS 127 -14.531 12.550 -8.149 1030 2HD LYS 127 2HD LYS 127 -13.002 13.383 -7.962 1031 1HE LYS 127 1HE LYS 127 -14.360 13.549 -5.891 1032 2HE LYS 127 2HE LYS 127 -14.079 15.134 -6.583 1033 1HZ LYS 127 1HZ LYS 127 -16.414 14.572 -5.906 1034 2HZ LYS 127 2HZ LYS 127 -16.235 15.209 -7.399 1035 3HZ LYS 127 3HZ LYS 127 -16.492 13.606 -7.221 1036 H SER 128 H SER 128 -11.131 13.774 -11.780 1037 HA SER 128 HA SER 128 -9.281 14.252 -12.810 1038 1HB SER 128 1HB SER 128 -10.677 13.779 -14.827 1039 2HB SER 128 2HB SER 128 -11.085 15.479 -14.943 1040 HG SER 128 HG SER 128 -8.388 14.425 -15.067 1041 H GLY 129 H GLY 129 -8.387 15.749 -11.316 1042 1HA GLY 129 1HA GLY 129 -9.138 18.517 -11.342 1043 2HA GLY 129 2HA GLY 129 -7.848 17.763 -10.426 1044 HA PRO 130 HA PRO 130 -6.123 20.070 -14.047 1045 1HB PRO 130 1HB PRO 130 -5.215 22.343 -12.830 1046 2HB PRO 130 2HB PRO 130 -6.743 22.257 -13.684 1047 1HG PRO 130 1HG PRO 130 -6.249 22.310 -10.770 1048 2HG PRO 130 2HG PRO 130 -7.733 22.650 -11.637 1049 1HD PRO 130 1HD PRO 130 -7.098 20.253 -10.196 1050 2HD PRO 130 2HD PRO 130 -8.532 20.548 -11.160 1051 H SER 131 H SER 131 -3.918 20.299 -14.691 1052 HA SER 131 HA SER 131 -1.923 20.127 -12.768 1053 1HB SER 131 1HB SER 131 -3.101 17.718 -12.848 1054 2HB SER 131 2HB SER 131 -2.080 17.511 -14.256 1055 HG SER 131 HG SER 131 -1.166 18.258 -11.607 1056 H SER 132 H SER 132 -1.178 21.824 -14.206 1057 HA SER 132 HA SER 132 -0.992 21.792 -16.856 1058 1HB SER 132 1HB SER 132 0.987 23.279 -16.624 1059 2HB SER 132 2HB SER 132 -0.274 23.689 -15.478 1060 HG SER 132 HG SER 132 1.109 22.008 -14.083 1061 H GLY 133 H GLY 133 0.346 20.899 -18.480 1062 1HA GLY 133 1HA GLY 133 1.579 19.255 -19.409 1063 2HA GLY 133 2HA GLY 133 2.806 19.767 -18.267 Start of MODEL 7 1 H GLY 1 H GLY 1 -6.587 -13.322 13.128 2 1HA GLY 1 1HA GLY 1 -8.931 -12.510 14.677 3 2HA GLY 1 2HA GLY 1 -7.270 -12.603 15.226 4 H SER 2 H SER 2 -9.647 -10.427 14.738 5 HA SER 2 HA SER 2 -7.859 -8.278 14.667 6 1HB SER 2 1HB SER 2 -7.865 -8.852 12.223 7 2HB SER 2 2HB SER 2 -9.601 -8.617 12.185 8 HG SER 2 HG SER 2 -9.359 -6.468 12.214 9 H SER 3 H SER 3 -9.012 -6.201 15.037 10 HA SER 3 HA SER 3 -11.830 -6.220 15.153 11 1HB SER 3 1HB SER 3 -10.519 -7.262 17.437 12 2HB SER 3 2HB SER 3 -10.960 -5.625 17.881 13 HG SER 3 HG SER 3 -13.098 -6.086 17.710 14 H GLY 4 H GLY 4 -12.160 -4.181 14.340 15 1HA GLY 4 1HA GLY 4 -11.651 -1.846 15.650 16 2HA GLY 4 2HA GLY 4 -10.208 -2.105 14.691 17 H SER 5 H SER 5 -12.233 0.028 14.381 18 HA SER 5 HA SER 5 -12.948 -0.603 11.635 19 1HB SER 5 1HB SER 5 -14.739 0.303 13.857 20 2HB SER 5 2HB SER 5 -14.989 1.075 12.304 21 HG SER 5 HG SER 5 -16.023 -1.204 13.001 22 H SER 6 H SER 6 -13.305 1.445 10.304 23 HA SER 6 HA SER 6 -12.366 3.864 11.461 24 1HB SER 6 1HB SER 6 -10.485 4.089 9.727 25 2HB SER 6 2HB SER 6 -10.177 3.014 11.075 26 HG SER 6 HG SER 6 -10.029 1.351 9.732 27 H GLY 7 H GLY 7 -12.504 2.216 8.210 28 1HA GLY 7 1HA GLY 7 -14.555 2.701 6.909 29 2HA GLY 7 2HA GLY 7 -14.305 4.388 7.315 30 H MET 8 H MET 8 -14.440 4.145 4.718 31 HA MET 8 HA MET 8 -11.720 3.721 3.766 32 1HB MET 8 1HB MET 8 -13.494 2.378 2.645 33 2HB MET 8 2HB MET 8 -14.424 3.827 2.318 34 1HG MET 8 1HG MET 8 -13.264 3.296 0.270 35 2HG MET 8 2HG MET 8 -12.444 4.691 0.946 36 1HE MET 8 1HE MET 8 -8.952 3.626 0.776 37 2HE MET 8 2HE MET 8 -10.223 4.585 -0.022 38 3HE MET 8 3HE MET 8 -9.979 4.718 1.736 39 H GLU 9 H GLU 9 -14.334 6.076 4.174 40 HA GLU 9 HA GLU 9 -13.091 7.967 2.432 41 1HB GLU 9 1HB GLU 9 -15.671 7.601 3.577 42 2HB GLU 9 2HB GLU 9 -15.078 9.119 4.223 43 1HG GLU 9 1HG GLU 9 -14.489 9.830 1.855 44 2HG GLU 9 2HG GLU 9 -15.239 8.359 1.269 45 H ALA 10 H ALA 10 -12.787 6.941 5.732 46 HA ALA 10 HA ALA 10 -11.756 9.500 6.628 47 1HB ALA 10 1HB ALA 10 -11.648 6.948 8.223 48 2HB ALA 10 2HB ALA 10 -11.939 8.618 8.770 49 3HB ALA 10 3HB ALA 10 -13.224 7.721 7.925 50 H VAL 11 H VAL 11 -10.654 6.148 5.871 51 HA VAL 11 HA VAL 11 -7.998 6.531 6.650 52 HB VAL 11 HB VAL 11 -9.097 4.365 6.292 53 1HG1 VAL 11 1HG1 VAL 11 -9.626 3.491 4.156 54 2HG1 VAL 11 2HG1 VAL 11 -10.308 5.135 4.180 55 3HG1 VAL 11 3HG1 VAL 11 -8.786 4.815 3.314 56 1HG2 VAL 11 1HG2 VAL 11 -6.536 4.828 6.088 57 2HG2 VAL 11 2HG2 VAL 11 -7.181 3.244 5.595 58 3HG2 VAL 11 3HG2 VAL 11 -6.785 4.467 4.364 59 H LEU 12 H LEU 12 -9.611 6.807 3.409 60 HA LEU 12 HA LEU 12 -7.277 7.637 2.092 61 1HB LEU 12 1HB LEU 12 -9.802 6.855 1.382 62 2HB LEU 12 2HB LEU 12 -9.849 8.569 1.017 63 HG LEU 12 HG LEU 12 -7.870 8.331 -0.429 64 1HD1 LEU 12 1HD1 LEU 12 -7.891 5.433 -0.647 65 2HD1 LEU 12 2HD1 LEU 12 -6.527 6.559 -0.443 66 3HD1 LEU 12 3HD1 LEU 12 -7.421 5.975 0.981 67 1HD2 LEU 12 1HD2 LEU 12 -9.339 6.280 -1.765 68 2HD2 LEU 12 2HD2 LEU 12 -10.491 7.338 -0.914 69 3HD2 LEU 12 3HD2 LEU 12 -9.329 8.034 -2.070 70 H ASN 13 H ASN 13 -9.182 9.170 4.474 71 HA ASN 13 HA ASN 13 -8.661 11.803 3.431 72 1HB ASN 13 1HB ASN 13 -10.488 10.594 5.389 73 2HB ASN 13 2HB ASN 13 -9.675 11.978 6.093 74 1HD2 ASN 13 1HD2 ASN 13 -11.155 10.985 3.005 75 2HD2 ASN 13 2HD2 ASN 13 -12.011 12.457 2.689 76 H GLU 14 H GLU 14 -8.111 9.892 6.496 77 HA GLU 14 HA GLU 14 -6.371 11.685 7.640 78 1HB GLU 14 1HB GLU 14 -7.438 9.120 8.235 79 2HB GLU 14 2HB GLU 14 -5.699 8.937 8.347 80 1HG GLU 14 1HG GLU 14 -6.741 11.432 9.593 81 2HG GLU 14 2HG GLU 14 -7.314 9.960 10.352 82 H LEU 15 H LEU 15 -3.967 11.345 8.066 83 HA LEU 15 HA LEU 15 -2.675 10.118 5.735 84 1HB LEU 15 1HB LEU 15 -1.844 12.730 6.997 85 2HB LEU 15 2HB LEU 15 -1.140 11.957 5.590 86 HG LEU 15 HG LEU 15 -4.031 12.818 5.609 87 1HD1 LEU 15 1HD1 LEU 15 -3.333 14.927 5.912 88 2HD1 LEU 15 2HD1 LEU 15 -1.635 14.529 5.557 89 3HD1 LEU 15 3HD1 LEU 15 -2.780 14.810 4.225 90 1HD2 LEU 15 1HD2 LEU 15 -3.243 13.133 3.086 91 2HD2 LEU 15 2HD2 LEU 15 -2.054 11.902 3.577 92 3HD2 LEU 15 3HD2 LEU 15 -3.796 11.567 3.725 93 H VAL 16 H VAL 16 -0.250 9.745 6.196 94 HA VAL 16 HA VAL 16 -0.120 8.392 8.735 95 HB VAL 16 HB VAL 16 0.767 7.802 6.267 96 1HG1 VAL 16 1HG1 VAL 16 2.984 8.278 5.856 97 2HG1 VAL 16 2HG1 VAL 16 2.479 9.771 6.683 98 3HG1 VAL 16 3HG1 VAL 16 3.369 8.516 7.577 99 1HG2 VAL 16 1HG2 VAL 16 2.398 6.205 7.493 100 2HG2 VAL 16 2HG2 VAL 16 1.756 6.938 8.982 101 3HG2 VAL 16 3HG2 VAL 16 0.660 6.095 7.861 102 H SER 17 H SER 17 1.439 8.799 10.393 103 HA SER 17 HA SER 17 2.266 11.577 10.387 104 1HB SER 17 1HB SER 17 2.397 9.709 12.773 105 2HB SER 17 2HB SER 17 2.285 11.458 12.768 106 HG SER 17 HG SER 17 0.119 10.598 11.443 107 H VAL 18 H VAL 18 4.450 12.188 10.561 108 HA VAL 18 HA VAL 18 6.380 10.482 9.601 109 HB VAL 18 HB VAL 18 6.658 12.933 11.352 110 1HG1 VAL 18 1HG1 VAL 18 8.662 11.389 9.698 111 2HG1 VAL 18 2HG1 VAL 18 8.890 13.110 10.087 112 3HG1 VAL 18 3HG1 VAL 18 8.777 11.909 11.396 113 1HG2 VAL 18 1HG2 VAL 18 5.367 13.459 9.393 114 2HG2 VAL 18 2HG2 VAL 18 7.014 14.091 9.155 115 3HG2 VAL 18 3HG2 VAL 18 6.512 12.591 8.341 116 H GLU 19 H GLU 19 5.567 11.341 13.023 117 HA GLU 19 HA GLU 19 7.576 10.050 14.272 118 1HB GLU 19 1HB GLU 19 5.350 11.351 15.092 119 2HB GLU 19 2HB GLU 19 4.829 9.713 15.434 120 1HG GLU 19 1HG GLU 19 7.412 9.686 16.443 121 2HG GLU 19 2HG GLU 19 6.937 11.344 16.757 122 H ASP 20 H ASP 20 4.546 8.651 12.912 123 HA ASP 20 HA ASP 20 5.075 6.084 13.939 124 1HB ASP 20 1HB ASP 20 3.103 7.383 12.126 125 2HB ASP 20 2HB ASP 20 3.398 5.695 11.759 126 H LEU 21 H LEU 21 5.121 7.548 10.594 127 HA LEU 21 HA LEU 21 6.034 5.496 9.130 128 1HB LEU 21 1HB LEU 21 5.449 7.705 8.278 129 2HB LEU 21 2HB LEU 21 6.913 8.383 8.965 130 HG LEU 21 HG LEU 21 7.207 8.077 6.598 131 1HD1 LEU 21 1HD1 LEU 21 9.041 7.426 8.371 132 2HD1 LEU 21 2HD1 LEU 21 8.825 5.802 7.675 133 3HD1 LEU 21 3HD1 LEU 21 9.307 7.161 6.632 134 1HD2 LEU 21 1HD2 LEU 21 7.266 5.598 5.763 135 2HD2 LEU 21 2HD2 LEU 21 6.165 5.316 7.132 136 3HD2 LEU 21 3HD2 LEU 21 5.723 6.478 5.858 137 H LYS 22 H LYS 22 8.074 7.706 11.150 138 HA LYS 22 HA LYS 22 10.489 6.443 10.504 139 1HB LYS 22 1HB LYS 22 9.610 8.209 12.795 140 2HB LYS 22 2HB LYS 22 11.245 7.593 12.668 141 1HG LYS 22 1HG LYS 22 10.288 8.728 10.117 142 2HG LYS 22 2HG LYS 22 10.237 9.901 11.418 143 1HD LYS 22 1HD LYS 22 12.726 8.349 11.510 144 2HD LYS 22 2HD LYS 22 12.517 9.099 9.940 145 1HE LYS 22 1HE LYS 22 11.789 11.179 11.612 146 2HE LYS 22 2HE LYS 22 12.991 10.367 12.596 147 1HZ LYS 22 1HZ LYS 22 14.137 10.402 10.179 148 2HZ LYS 22 2HZ LYS 22 13.336 11.824 10.173 149 3HZ LYS 22 3HZ LYS 22 14.415 11.500 11.354 150 H ASN 23 H ASN 23 8.294 6.097 13.377 151 HA ASN 23 HA ASN 23 9.609 4.337 14.827 152 1HB ASN 23 1HB ASN 23 6.821 5.000 14.387 153 2HB ASN 23 2HB ASN 23 6.932 3.261 14.575 154 1HD2 ASN 23 1HD2 ASN 23 5.725 5.152 16.350 155 2HD2 ASN 23 2HD2 ASN 23 6.528 5.058 17.882 156 H PHE 24 H PHE 24 7.660 3.620 11.852 157 HA PHE 24 HA PHE 24 8.227 0.826 11.958 158 1HB PHE 24 1HB PHE 24 6.984 2.853 10.040 159 2HB PHE 24 2HB PHE 24 7.290 1.225 9.467 160 HD1 PHE 24 1HD PHE 24 5.424 3.195 11.979 161 HD2 PHE 24 2HD PHE 24 5.854 -0.566 10.059 162 HE1 PHE 24 1HE PHE 24 3.247 2.438 12.972 163 HE2 PHE 24 2HE PHE 24 3.677 -1.322 11.052 164 HZ PHE 24 HZ PHE 24 2.399 0.189 12.497 165 H GLU 25 H GLU 25 9.412 3.670 10.065 166 HA GLU 25 HA GLU 25 10.881 2.482 8.192 167 1HB GLU 25 1HB GLU 25 10.618 5.003 8.866 168 2HB GLU 25 2HB GLU 25 12.078 4.755 9.804 169 1HG GLU 25 1HG GLU 25 13.246 3.927 7.736 170 2HG GLU 25 2HG GLU 25 11.790 4.226 6.808 171 H ARG 26 H ARG 26 12.140 3.288 11.516 172 HA ARG 26 HA ARG 26 14.583 2.307 11.356 173 1HB ARG 26 1HB ARG 26 12.706 1.690 13.693 174 2HB ARG 26 2HB ARG 26 14.452 1.824 13.778 175 1HG ARG 26 1HG ARG 26 14.151 4.243 12.873 176 2HG ARG 26 2HG ARG 26 12.444 4.044 13.215 177 1HD ARG 26 1HD ARG 26 13.219 5.006 15.219 178 2HD ARG 26 2HD ARG 26 13.245 3.299 15.616 179 HE ARG 26 HE ARG 26 15.772 3.907 14.480 180 1HH1 ARG 26 1HH1 ARG 26 13.898 4.780 17.328 181 2HH1 ARG 26 2HH1 ARG 26 15.292 5.085 18.309 182 1HH2 ARG 26 1HH2 ARG 26 17.612 4.309 15.775 183 2HH2 ARG 26 2HH2 ARG 26 17.419 4.815 17.419 184 H LYS 27 H LYS 27 11.765 0.280 12.487 185 HA LYS 27 HA LYS 27 12.969 -2.124 12.641 186 1HB LYS 27 1HB LYS 27 10.425 -1.230 12.857 187 2HB LYS 27 2HB LYS 27 10.290 -2.118 11.352 188 1HG LYS 27 1HG LYS 27 11.438 -4.090 12.532 189 2HG LYS 27 2HG LYS 27 11.278 -3.195 14.031 190 1HD LYS 27 1HD LYS 27 8.807 -3.521 12.334 191 2HD LYS 27 2HD LYS 27 9.390 -4.932 13.196 192 1HE LYS 27 1HE LYS 27 9.250 -3.770 15.344 193 2HE LYS 27 2HE LYS 27 8.918 -2.239 14.556 194 1HZ LYS 27 1HZ LYS 27 6.795 -2.765 14.437 195 2HZ LYS 27 2HZ LYS 27 7.084 -4.210 13.732 196 3HZ LYS 27 3HZ LYS 27 7.085 -4.081 15.360 197 H PHE 28 H PHE 28 11.453 -0.753 9.635 198 HA PHE 28 HA PHE 28 12.116 -2.814 7.956 199 1HB PHE 28 1HB PHE 28 10.718 -0.622 7.641 200 2HB PHE 28 2HB PHE 28 12.239 0.196 7.345 201 HD1 PHE 28 1HD PHE 28 13.138 0.252 5.194 202 HD2 PHE 28 2HD PHE 28 10.145 -2.616 6.103 203 HE1 PHE 28 1HE PHE 28 13.008 -0.380 2.768 204 HE2 PHE 28 2HE PHE 28 10.014 -3.249 3.677 205 HZ PHE 28 HZ PHE 28 11.446 -2.123 2.039 206 H GLN 29 H GLN 29 13.999 0.246 8.543 207 HA GLN 29 HA GLN 29 16.085 -0.371 6.897 208 1HB GLN 29 1HB GLN 29 15.905 1.285 9.436 209 2HB GLN 29 2HB GLN 29 17.409 1.157 8.547 210 1HG GLN 29 1HG GLN 29 15.829 1.765 6.457 211 2HG GLN 29 2HG GLN 29 14.812 2.448 7.710 212 1HE2 GLN 29 1HE2 GLN 29 15.090 4.523 7.906 213 2HE2 GLN 29 2HE2 GLN 29 16.580 5.404 7.826 214 H SER 30 H SER 30 16.222 -0.612 10.529 215 HA SER 30 HA SER 30 18.503 -1.968 10.746 216 1HB SER 30 1HB SER 30 17.377 -1.267 12.731 217 2HB SER 30 2HB SER 30 15.928 -2.170 12.339 218 HG SER 30 HG SER 30 18.462 -3.473 12.820 219 H GLU 31 H GLU 31 15.208 -3.474 10.381 220 HA GLU 31 HA GLU 31 16.011 -6.073 10.386 221 1HB GLU 31 1HB GLU 31 13.722 -4.662 8.970 222 2HB GLU 31 2HB GLU 31 13.910 -6.403 8.887 223 1HG GLU 31 1HG GLU 31 13.842 -4.893 11.535 224 2HG GLU 31 2HG GLU 31 12.391 -5.502 10.765 225 H GLN 32 H GLN 32 16.221 -3.629 7.803 226 HA GLN 32 HA GLN 32 16.620 -5.394 5.698 227 1HB GLN 32 1HB GLN 32 16.223 -2.748 5.839 228 2HB GLN 32 2HB GLN 32 17.972 -2.700 5.733 229 1HG GLN 32 1HG GLN 32 17.934 -3.988 3.635 230 2HG GLN 32 2HG GLN 32 16.204 -4.232 3.769 231 1HE2 GLN 32 1HE2 GLN 32 16.171 -3.284 1.639 232 2HE2 GLN 32 2HE2 GLN 32 16.130 -1.563 1.444 233 H ALA 33 H ALA 33 19.040 -3.447 7.602 234 HA ALA 33 HA ALA 33 21.256 -4.754 6.454 235 1HB ALA 33 1HB ALA 33 22.036 -3.726 8.942 236 2HB ALA 33 2HB ALA 33 22.093 -2.877 7.378 237 3HB ALA 33 3HB ALA 33 20.679 -2.690 8.442 238 H ALA 34 H ALA 34 18.858 -5.824 8.640 239 HA ALA 34 HA ALA 34 20.500 -7.425 10.317 240 1HB ALA 34 1HB ALA 34 17.659 -8.175 9.832 241 2HB ALA 34 2HB ALA 34 18.527 -7.904 11.362 242 3HB ALA 34 3HB ALA 34 17.941 -6.517 10.414 243 H GLY 35 H GLY 35 18.973 -7.771 7.121 244 1HA GLY 35 1HA GLY 35 20.512 -9.621 6.015 245 2HA GLY 35 2HA GLY 35 19.522 -10.635 7.046 246 H SER 36 H SER 36 17.187 -8.652 6.805 247 HA SER 36 HA SER 36 16.433 -8.177 4.276 248 1HB SER 36 1HB SER 36 16.144 -11.081 4.965 249 2HB SER 36 2HB SER 36 14.792 -10.340 4.132 250 HG SER 36 HG SER 36 17.444 -9.899 3.137 251 H VAL 37 H VAL 37 14.548 -6.976 4.451 252 HA VAL 37 HA VAL 37 13.351 -6.734 6.998 253 HB VAL 37 HB VAL 37 12.711 -5.664 4.250 254 1HG1 VAL 37 1HG1 VAL 37 11.444 -4.146 6.340 255 2HG1 VAL 37 2HG1 VAL 37 10.714 -4.938 4.924 256 3HG1 VAL 37 3HG1 VAL 37 10.918 -5.844 6.442 257 1HG2 VAL 37 1HG2 VAL 37 14.541 -4.459 4.859 258 2HG2 VAL 37 2HG2 VAL 37 13.327 -3.513 5.755 259 3HG2 VAL 37 3HG2 VAL 37 14.293 -4.748 6.598 260 H SER 38 H SER 38 11.490 -7.617 7.844 261 HA SER 38 HA SER 38 10.504 -9.900 6.476 262 1HB SER 38 1HB SER 38 9.747 -8.579 9.115 263 2HB SER 38 2HB SER 38 8.992 -10.051 8.536 264 HG SER 38 HG SER 38 11.037 -10.088 10.030 265 H LYS 39 H LYS 39 8.234 -10.259 5.866 266 HA LYS 39 HA LYS 39 7.126 -8.256 4.376 267 1HB LYS 39 1HB LYS 39 5.712 -10.601 5.682 268 2HB LYS 39 2HB LYS 39 5.097 -9.657 4.341 269 1HG LYS 39 1HG LYS 39 7.236 -10.272 3.059 270 2HG LYS 39 2HG LYS 39 7.614 -11.383 4.361 271 1HD LYS 39 1HD LYS 39 4.942 -11.996 3.750 272 2HD LYS 39 2HD LYS 39 5.643 -11.656 2.181 273 1HE LYS 39 1HE LYS 39 6.072 -13.968 2.471 274 2HE LYS 39 2HE LYS 39 7.597 -13.224 2.905 275 1HZ LYS 39 1HZ LYS 39 7.247 -13.634 5.101 276 2HZ LYS 39 2HZ LYS 39 5.618 -13.661 4.989 277 3HZ LYS 39 3HZ LYS 39 6.494 -14.933 4.458 278 H SER 40 H SER 40 6.120 -9.310 7.706 279 HA SER 40 HA SER 40 4.117 -7.658 8.172 280 1HB SER 40 1HB SER 40 6.417 -8.069 10.133 281 2HB SER 40 2HB SER 40 4.764 -7.665 10.551 282 HG SER 40 HG SER 40 4.393 -9.766 10.602 283 H THR 41 H THR 41 7.621 -6.765 8.571 284 HA THR 41 HA THR 41 7.055 -4.056 9.191 285 HB THR 41 HB THR 41 9.611 -5.394 8.157 286 HG1 THR 41 1HG THR 41 8.360 -4.947 10.775 287 1HG2 THR 41 1HG2 THR 41 9.724 -2.885 8.271 288 2HG2 THR 41 2HG2 THR 41 9.143 -2.953 9.952 289 3HG2 THR 41 3HG2 THR 41 10.728 -3.644 9.529 290 H GLN 42 H GLN 42 7.847 -5.816 6.157 291 HA GLN 42 HA GLN 42 8.224 -3.586 4.599 292 1HB GLN 42 1HB GLN 42 8.646 -6.056 4.034 293 2HB GLN 42 2HB GLN 42 6.938 -6.181 3.659 294 1HG GLN 42 1HG GLN 42 7.096 -4.773 1.782 295 2HG GLN 42 2HG GLN 42 8.508 -3.933 2.395 296 1HE2 GLN 42 1HE2 GLN 42 7.703 -5.597 -0.085 297 2HE2 GLN 42 2HE2 GLN 42 9.062 -6.633 -0.366 298 H PHE 43 H PHE 43 5.246 -5.675 4.485 299 HA PHE 43 HA PHE 43 3.636 -3.987 3.140 300 1HB PHE 43 1HB PHE 43 2.778 -6.143 3.695 301 2HB PHE 43 2HB PHE 43 3.326 -6.036 5.356 302 HD1 PHE 43 1HD PHE 43 1.932 -5.092 7.063 303 HD2 PHE 43 2HD PHE 43 0.682 -5.025 3.008 304 HE1 PHE 43 1HE PHE 43 -0.387 -4.463 7.788 305 HE2 PHE 43 2HE PHE 43 -1.637 -4.396 3.733 306 HZ PHE 43 HZ PHE 43 -2.144 -4.123 6.114 307 H GLU 44 H GLU 44 4.389 -3.914 6.664 308 HA GLU 44 HA GLU 44 2.476 -2.056 7.358 309 1HB GLU 44 1HB GLU 44 5.114 -2.942 8.518 310 2HB GLU 44 2HB GLU 44 4.344 -1.523 9.202 311 1HG GLU 44 1HG GLU 44 2.263 -2.821 9.615 312 2HG GLU 44 2HG GLU 44 2.978 -4.237 8.869 313 H TYR 45 H TYR 45 6.028 -1.307 7.249 314 HA TYR 45 HA TYR 45 5.799 1.402 7.110 315 1HB TYR 45 1HB TYR 45 7.911 0.105 7.395 316 2HB TYR 45 2HB TYR 45 7.718 -0.627 5.815 317 HD1 TYR 45 1HD TYR 45 8.369 2.619 7.527 318 HD2 TYR 45 2HD TYR 45 8.619 0.399 3.879 319 HE1 TYR 45 1HE TYR 45 9.784 4.462 6.493 320 HE2 TYR 45 2HE TYR 45 10.032 2.249 2.857 321 HH TYR 45 HH TYR 45 11.658 4.339 4.414 322 H ALA 46 H ALA 46 5.593 -0.987 4.426 323 HA ALA 46 HA ALA 46 5.664 0.919 2.360 324 1HB ALA 46 1HB ALA 46 6.152 -1.343 1.826 325 2HB ALA 46 2HB ALA 46 4.671 -1.936 2.614 326 3HB ALA 46 3HB ALA 46 4.564 -1.031 1.086 327 H TRP 47 H TRP 47 3.156 -0.214 4.593 328 HA TRP 47 HA TRP 47 1.003 0.822 3.005 329 1HB TRP 47 1HB TRP 47 0.364 -0.987 4.280 330 2HB TRP 47 2HB TRP 47 1.287 -0.481 5.680 331 HD1 TRP 47 HD TRP 47 -0.280 0.332 7.594 332 HE1 TRP 47 1HE TRP 47 -2.628 1.502 7.880 333 HE3 TRP 47 3HE TRP 47 -1.226 0.828 2.623 334 HZ2 TRP 47 2HZ TRP 47 -4.573 2.481 6.037 335 HZ3 TRP 47 3HZ TRP 47 -3.373 1.902 1.951 336 HH2 TRP 47 HH TRP 47 -5.018 2.715 3.565 337 H CYS 48 H CYS 48 3.383 1.989 5.294 338 HA CYS 48 HA CYS 48 1.901 4.116 6.361 339 1HB CYS 48 1HB CYS 48 4.903 3.779 6.059 340 2HB CYS 48 2HB CYS 48 4.124 5.024 7.016 341 HG CYS 48 HG CYS 48 2.958 2.037 7.433 342 H LEU 49 H LEU 49 4.408 3.921 3.725 343 HA LEU 49 HA LEU 49 4.423 6.489 2.894 344 1HB LEU 49 1HB LEU 49 4.494 3.994 1.193 345 2HB LEU 49 2HB LEU 49 4.972 5.590 0.651 346 HG LEU 49 HG LEU 49 7.028 4.844 1.193 347 1HD1 LEU 49 1HD1 LEU 49 7.686 5.392 3.552 348 2HD1 LEU 49 2HD1 LEU 49 6.799 6.678 2.699 349 3HD1 LEU 49 3HD1 LEU 49 5.963 5.669 3.902 350 1HD2 LEU 49 1HD2 LEU 49 7.083 3.207 3.406 351 2HD2 LEU 49 2HD2 LEU 49 5.530 2.788 2.644 352 3HD2 LEU 49 3HD2 LEU 49 7.040 2.671 1.710 353 H VAL 50 H VAL 50 2.307 3.976 1.332 354 HA VAL 50 HA VAL 50 0.782 5.581 -0.180 355 HB VAL 50 HB VAL 50 -1.077 3.907 0.322 356 1HG1 VAL 50 1HG1 VAL 50 1.103 3.785 -1.305 357 2HG1 VAL 50 2HG1 VAL 50 1.310 2.292 -0.357 358 3HG1 VAL 50 3HG1 VAL 50 -0.194 2.566 -1.270 359 1HG2 VAL 50 1HG2 VAL 50 -0.764 3.055 2.437 360 2HG2 VAL 50 2HG2 VAL 50 0.040 1.796 1.469 361 3HG2 VAL 50 3HG2 VAL 50 1.010 3.041 2.292 362 H ARG 51 H ARG 51 0.270 4.892 3.340 363 HA ARG 51 HA ARG 51 -2.013 6.379 3.593 364 1HB ARG 51 1HB ARG 51 0.139 5.386 5.428 365 2HB ARG 51 2HB ARG 51 -0.841 6.694 6.063 366 1HG ARG 51 1HG ARG 51 -2.904 5.416 5.683 367 2HG ARG 51 2HG ARG 51 -2.022 4.155 4.845 368 1HD ARG 51 1HD ARG 51 -2.525 3.506 7.200 369 2HD ARG 51 2HD ARG 51 -0.798 3.572 6.911 370 HE ARG 51 HE ARG 51 -1.475 6.140 7.807 371 1HH1 ARG 51 1HH1 ARG 51 -1.732 2.867 9.073 372 2HH1 ARG 51 2HH1 ARG 51 -1.611 3.361 10.728 373 1HH2 ARG 51 1HH2 ARG 51 -1.316 6.792 9.992 374 2HH2 ARG 51 2HH2 ARG 51 -1.373 5.609 11.255 375 H SER 52 H SER 52 1.451 7.322 3.659 376 HA SER 52 HA SER 52 1.389 9.738 4.777 377 1HB SER 52 1HB SER 52 3.294 8.417 3.527 378 2HB SER 52 2HB SER 52 2.825 9.371 2.134 379 HG SER 52 HG SER 52 3.157 10.863 4.499 380 H LYS 53 H LYS 53 1.540 11.985 3.596 381 HA LYS 53 HA LYS 53 -0.877 12.213 1.996 382 1HB LYS 53 1HB LYS 53 -0.528 14.675 2.439 383 2HB LYS 53 2HB LYS 53 -0.849 13.680 3.845 384 1HG LYS 53 1HG LYS 53 1.195 14.117 4.763 385 2HG LYS 53 2HG LYS 53 2.033 13.825 3.251 386 1HD LYS 53 1HD LYS 53 0.472 16.387 3.813 387 2HD LYS 53 2HD LYS 53 2.180 16.219 4.162 388 1HE LYS 53 1HE LYS 53 2.788 16.166 1.905 389 2HE LYS 53 2HE LYS 53 1.271 15.451 1.397 390 1HZ LYS 53 1HZ LYS 53 1.710 17.903 0.928 391 2HZ LYS 53 2HZ LYS 53 0.227 17.475 1.461 392 3HZ LYS 53 3HZ LYS 53 1.299 18.155 2.488 393 H TYR 54 H TYR 54 2.591 12.121 1.684 394 HA TYR 54 HA TYR 54 2.711 13.700 -0.697 395 1HB TYR 54 1HB TYR 54 4.442 11.781 0.935 396 2HB TYR 54 2HB TYR 54 5.002 12.250 -0.659 397 HD1 TYR 54 1HD TYR 54 6.243 14.217 -0.928 398 HD2 TYR 54 2HD TYR 54 3.849 13.727 2.584 399 HE1 TYR 54 1HE TYR 54 7.233 16.344 0.053 400 HE2 TYR 54 2HE TYR 54 4.848 15.853 3.553 401 HH TYR 54 HH TYR 54 6.645 18.026 1.659 402 H ASN 55 H ASN 55 4.099 12.402 -2.578 403 HA ASN 55 HA ASN 55 2.387 10.124 -3.199 404 1HB ASN 55 1HB ASN 55 3.010 10.777 -5.655 405 2HB ASN 55 2HB ASN 55 1.853 11.794 -4.819 406 1HD2 ASN 55 1HD2 ASN 55 4.350 11.905 -6.820 407 2HD2 ASN 55 2HD2 ASN 55 5.096 13.413 -6.410 408 H GLU 56 H GLU 56 5.632 11.698 -3.560 409 HA GLU 56 HA GLU 56 6.979 9.815 -4.910 410 1HB GLU 56 1HB GLU 56 7.677 11.851 -2.860 411 2HB GLU 56 2HB GLU 56 8.864 10.577 -3.043 412 1HG GLU 56 1HG GLU 56 7.759 12.330 -5.288 413 2HG GLU 56 2HG GLU 56 9.357 12.454 -4.579 414 H ASP 57 H ASP 57 5.819 9.673 -1.552 415 HA ASP 57 HA ASP 57 7.428 7.431 -0.904 416 1HB ASP 57 1HB ASP 57 4.987 8.706 0.407 417 2HB ASP 57 2HB ASP 57 5.814 7.327 1.101 418 H ILE 58 H ILE 58 3.929 8.091 -1.653 419 HA ILE 58 HA ILE 58 2.760 5.725 -1.314 420 HB ILE 58 HB ILE 58 2.487 7.605 -3.659 421 1HG1 ILE 58 1HG1 ILE 58 0.975 7.371 -1.041 422 2HG1 ILE 58 2HG1 ILE 58 2.097 8.642 -1.482 423 1HG2 ILE 58 1HG2 ILE 58 1.033 5.097 -2.977 424 2HG2 ILE 58 2HG2 ILE 58 0.070 6.485 -3.534 425 3HG2 ILE 58 3HG2 ILE 58 1.374 5.840 -4.559 426 1HD1 ILE 58 1HD1 ILE 58 -0.692 8.132 -2.486 427 2HD1 ILE 58 2HD1 ILE 58 0.101 9.671 -2.075 428 3HD1 ILE 58 3HD1 ILE 58 0.475 8.861 -3.615 429 H ARG 59 H ARG 59 4.863 6.595 -4.129 430 HA ARG 59 HA ARG 59 4.577 4.433 -5.641 431 1HB ARG 59 1HB ARG 59 7.211 5.801 -4.896 432 2HB ARG 59 2HB ARG 59 7.019 4.736 -6.275 433 1HG ARG 59 1HG ARG 59 5.280 7.209 -5.876 434 2HG ARG 59 2HG ARG 59 6.809 7.271 -6.729 435 1HD ARG 59 1HD ARG 59 4.739 5.205 -7.534 436 2HD ARG 59 2HD ARG 59 4.560 6.861 -8.078 437 HE ARG 59 HE ARG 59 6.473 4.938 -9.071 438 1HH1 ARG 59 1HH1 ARG 59 6.103 8.369 -8.381 439 2HH1 ARG 59 2HH1 ARG 59 7.280 8.862 -9.553 440 1HH2 ARG 59 1HH2 ARG 59 8.025 5.589 -10.617 441 2HH2 ARG 59 2HH2 ARG 59 8.380 7.269 -10.833 442 H ARG 60 H ARG 60 6.722 4.725 -2.729 443 HA ARG 60 HA ARG 60 7.896 2.278 -2.889 444 1HB ARG 60 1HB ARG 60 7.327 4.264 -0.736 445 2HB ARG 60 2HB ARG 60 7.619 2.639 -0.151 446 1HG ARG 60 1HG ARG 60 9.841 3.026 -0.379 447 2HG ARG 60 2HG ARG 60 9.610 3.030 -2.117 448 1HD ARG 60 1HD ARG 60 9.064 5.498 -2.003 449 2HD ARG 60 2HD ARG 60 9.401 5.469 -0.283 450 HE ARG 60 HE ARG 60 11.698 4.381 -1.353 451 1HH1 ARG 60 1HH1 ARG 60 9.894 7.326 -2.030 452 2HH1 ARG 60 2HH1 ARG 60 11.291 8.216 -2.538 453 1HH2 ARG 60 1HH2 ARG 60 13.540 5.555 -2.024 454 2HH2 ARG 60 2HH2 ARG 60 13.378 7.203 -2.535 455 H GLY 61 H GLY 61 5.115 3.140 -0.688 456 1HA GLY 61 1HA GLY 61 4.387 0.759 0.282 457 2HA GLY 61 2HA GLY 61 3.225 1.973 -0.214 458 H ILE 62 H ILE 62 4.097 1.804 -3.118 459 HA ILE 62 HA ILE 62 2.339 -0.348 -3.811 460 HB ILE 62 HB ILE 62 3.920 1.596 -5.496 461 1HG1 ILE 62 1HG1 ILE 62 0.986 1.638 -4.738 462 2HG1 ILE 62 2HG1 ILE 62 2.223 2.598 -3.951 463 1HG2 ILE 62 1HG2 ILE 62 2.538 -0.796 -6.237 464 2HG2 ILE 62 2HG2 ILE 62 1.632 0.607 -6.853 465 3HG2 ILE 62 3HG2 ILE 62 3.349 0.402 -7.274 466 1HD1 ILE 62 1HD1 ILE 62 2.787 3.269 -6.509 467 2HD1 ILE 62 2HD1 ILE 62 1.064 2.872 -6.704 468 3HD1 ILE 62 3HD1 ILE 62 1.562 4.132 -5.550 469 H VAL 63 H VAL 63 5.688 0.475 -4.963 470 HA VAL 63 HA VAL 63 6.308 -1.904 -6.075 471 HB VAL 63 HB VAL 63 8.676 -1.344 -5.445 472 1HG1 VAL 63 1HG1 VAL 63 7.237 1.094 -6.498 473 2HG1 VAL 63 2HG1 VAL 63 8.816 0.428 -6.979 474 3HG1 VAL 63 3HG1 VAL 63 7.317 -0.418 -7.434 475 1HG2 VAL 63 1HG2 VAL 63 9.038 0.896 -4.387 476 2HG2 VAL 63 2HG2 VAL 63 7.306 0.933 -3.979 477 3HG2 VAL 63 3HG2 VAL 63 8.356 -0.324 -3.285 478 H LEU 64 H LEU 64 6.711 -1.004 -2.584 479 HA LEU 64 HA LEU 64 7.774 -3.433 -1.775 480 1HB LEU 64 1HB LEU 64 5.999 -1.640 -0.125 481 2HB LEU 64 2HB LEU 64 7.241 -2.739 0.442 482 HG LEU 64 HG LEU 64 7.660 -0.169 -1.106 483 1HD1 LEU 64 1HD1 LEU 64 7.169 0.361 1.140 484 2HD1 LEU 64 2HD1 LEU 64 8.163 -0.979 1.761 485 3HD1 LEU 64 3HD1 LEU 64 8.943 0.432 1.004 486 1HD2 LEU 64 1HD2 LEU 64 9.403 -1.395 -1.945 487 2HD2 LEU 64 2HD2 LEU 64 10.144 -0.761 -0.456 488 3HD2 LEU 64 3HD2 LEU 64 9.525 -2.429 -0.502 489 H LEU 65 H LEU 65 4.359 -2.333 -1.192 490 HA LEU 65 HA LEU 65 3.378 -4.791 -0.503 491 1HB LEU 65 1HB LEU 65 1.997 -2.506 -1.917 492 2HB LEU 65 2HB LEU 65 1.173 -3.865 -1.178 493 HG LEU 65 HG LEU 65 3.022 -2.098 0.424 494 1HD1 LEU 65 1HD1 LEU 65 0.101 -1.575 0.545 495 2HD1 LEU 65 2HD1 LEU 65 1.482 -0.471 0.746 496 3HD1 LEU 65 3HD1 LEU 65 0.972 -0.970 -0.884 497 1HD2 LEU 65 1HD2 LEU 65 0.586 -3.521 1.450 498 2HD2 LEU 65 2HD2 LEU 65 2.099 -4.417 1.180 499 3HD2 LEU 65 3HD2 LEU 65 2.070 -3.038 2.306 500 H GLU 66 H GLU 66 4.132 -3.465 -3.717 501 HA GLU 66 HA GLU 66 2.675 -5.363 -5.152 502 1HB GLU 66 1HB GLU 66 4.871 -3.401 -5.752 503 2HB GLU 66 2HB GLU 66 4.585 -4.668 -6.929 504 1HG GLU 66 1HG GLU 66 2.155 -4.032 -7.004 505 2HG GLU 66 2HG GLU 66 2.467 -2.744 -5.858 506 H GLU 67 H GLU 67 5.713 -5.476 -3.409 507 HA GLU 67 HA GLU 67 6.663 -7.734 -4.891 508 1HB GLU 67 1HB GLU 67 7.678 -6.059 -2.601 509 2HB GLU 67 2HB GLU 67 8.358 -7.660 -2.817 510 1HG GLU 67 1HG GLU 67 8.465 -6.785 -5.402 511 2HG GLU 67 2HG GLU 67 8.585 -5.243 -4.578 512 H LEU 68 H LEU 68 4.865 -7.020 -1.910 513 HA LEU 68 HA LEU 68 5.186 -9.672 -0.866 514 1HB LEU 68 1HB LEU 68 3.254 -7.514 -0.020 515 2HB LEU 68 2HB LEU 68 3.737 -8.927 0.897 516 HG LEU 68 HG LEU 68 5.788 -6.891 0.052 517 1HD1 LEU 68 1HD1 LEU 68 4.708 -6.562 2.770 518 2HD1 LEU 68 2HD1 LEU 68 5.202 -5.347 1.568 519 3HD1 LEU 68 3HD1 LEU 68 3.592 -6.097 1.465 520 1HD2 LEU 68 1HD2 LEU 68 7.194 -7.984 1.413 521 2HD2 LEU 68 2HD2 LEU 68 5.962 -8.207 2.677 522 3HD2 LEU 68 3HD2 LEU 68 6.023 -9.318 1.288 523 H LEU 69 H LEU 69 3.150 -8.045 -3.186 524 HA LEU 69 HA LEU 69 0.774 -9.361 -2.964 525 1HB LEU 69 1HB LEU 69 2.232 -7.889 -4.972 526 2HB LEU 69 2HB LEU 69 1.347 -9.208 -5.712 527 HG LEU 69 HG LEU 69 -0.053 -7.297 -5.789 528 1HD1 LEU 69 1HD1 LEU 69 -1.768 -8.632 -5.353 529 2HD1 LEU 69 2HD1 LEU 69 -0.783 -9.603 -4.234 530 3HD1 LEU 69 3HD1 LEU 69 -1.654 -8.170 -3.638 531 1HD2 LEU 69 1HD2 LEU 69 1.003 -5.863 -4.184 532 2HD2 LEU 69 2HD2 LEU 69 -0.712 -6.035 -3.738 533 3HD2 LEU 69 3HD2 LEU 69 0.535 -6.934 -2.840 534 HA PRO 70 HA PRO 70 2.503 -13.014 -5.367 535 1HB PRO 70 1HB PRO 70 5.084 -13.040 -6.265 536 2HB PRO 70 2HB PRO 70 3.732 -12.521 -7.251 537 1HG PRO 70 1HG PRO 70 5.801 -10.873 -5.931 538 2HG PRO 70 2HG PRO 70 4.719 -10.437 -7.240 539 1HD PRO 70 1HD PRO 70 4.476 -9.676 -4.485 540 2HD PRO 70 2HD PRO 70 3.334 -9.338 -5.769 541 H LYS 71 H LYS 71 4.515 -11.495 -3.053 542 HA LYS 71 HA LYS 71 5.409 -14.112 -2.116 543 1HB LYS 71 1HB LYS 71 6.280 -11.298 -1.398 544 2HB LYS 71 2HB LYS 71 6.903 -12.750 -0.641 545 1HG LYS 71 1HG LYS 71 7.549 -13.583 -2.974 546 2HG LYS 71 2HG LYS 71 7.105 -12.005 -3.594 547 1HD LYS 71 1HD LYS 71 8.834 -10.899 -2.339 548 2HD LYS 71 2HD LYS 71 9.089 -12.290 -1.305 549 1HE LYS 71 1HE LYS 71 9.780 -13.568 -3.464 550 2HE LYS 71 2HE LYS 71 9.837 -11.999 -4.243 551 1HZ LYS 71 1HZ LYS 71 11.232 -11.532 -2.042 552 2HZ LYS 71 2HZ LYS 71 11.597 -13.108 -2.271 553 3HZ LYS 71 3HZ LYS 71 11.905 -12.019 -3.449 554 H GLY 72 H GLY 72 2.576 -13.257 -1.973 555 1HA GLY 72 1HA GLY 72 2.197 -12.681 0.870 556 2HA GLY 72 2HA GLY 72 0.977 -12.687 -0.388 557 H SER 73 H SER 73 -0.508 -14.143 0.483 558 HA SER 73 HA SER 73 0.394 -16.878 0.475 559 1HB SER 73 1HB SER 73 -0.243 -15.385 2.921 560 2HB SER 73 2HB SER 73 -1.290 -16.778 2.736 561 HG SER 73 HG SER 73 1.594 -16.723 2.842 562 H LYS 74 H LYS 74 -2.472 -14.884 1.537 563 HA LYS 74 HA LYS 74 -4.003 -15.677 -0.711 564 1HB LYS 74 1HB LYS 74 -3.964 -17.514 1.475 565 2HB LYS 74 2HB LYS 74 -5.539 -16.747 1.455 566 1HG LYS 74 1HG LYS 74 -5.658 -17.238 -1.050 567 2HG LYS 74 2HG LYS 74 -4.180 -18.164 -0.882 568 1HD LYS 74 1HD LYS 74 -5.715 -19.877 -0.578 569 2HD LYS 74 2HD LYS 74 -5.540 -19.368 1.090 570 1HE LYS 74 1HE LYS 74 -7.528 -17.783 0.701 571 2HE LYS 74 2HE LYS 74 -7.759 -18.570 -0.847 572 1HZ LYS 74 1HZ LYS 74 -7.796 -20.691 0.487 573 2HZ LYS 74 2HZ LYS 74 -7.976 -19.758 1.816 574 3HZ LYS 74 3HZ LYS 74 -9.097 -19.714 0.629 575 H GLU 75 H GLU 75 -4.910 -15.122 2.753 576 HA GLU 75 HA GLU 75 -6.649 -13.053 1.971 577 1HB GLU 75 1HB GLU 75 -5.667 -14.040 4.676 578 2HB GLU 75 2HB GLU 75 -6.809 -12.719 4.524 579 1HG GLU 75 1HG GLU 75 -8.243 -14.312 3.072 580 2HG GLU 75 2HG GLU 75 -7.181 -15.601 3.603 581 H GLU 76 H GLU 76 -3.283 -13.176 2.272 582 HA GLU 76 HA GLU 76 -2.852 -10.699 3.532 583 1HB GLU 76 1HB GLU 76 -1.145 -12.563 1.857 584 2HB GLU 76 2HB GLU 76 -0.526 -11.000 2.354 585 1HG GLU 76 1HG GLU 76 -1.781 -12.831 4.419 586 2HG GLU 76 2HG GLU 76 -0.138 -13.129 3.888 587 H GLN 77 H GLN 77 -2.773 -11.794 0.067 588 HA GLN 77 HA GLN 77 -2.124 -9.422 -1.065 589 1HB GLN 77 1HB GLN 77 -3.938 -11.660 -2.037 590 2HB GLN 77 2HB GLN 77 -3.510 -10.306 -3.062 591 1HG GLN 77 1HG GLN 77 -1.038 -10.851 -2.505 592 2HG GLN 77 2HG GLN 77 -1.627 -12.350 -1.813 593 1HE2 GLN 77 1HE2 GLN 77 -0.262 -13.305 -3.457 594 2HE2 GLN 77 2HE2 GLN 77 -0.875 -13.564 -5.056 595 H ARG 78 H ARG 78 -5.274 -10.516 0.226 596 HA ARG 78 HA ARG 78 -6.835 -8.580 -0.950 597 1HB ARG 78 1HB ARG 78 -7.051 -10.216 1.597 598 2HB ARG 78 2HB ARG 78 -8.254 -8.984 1.267 599 1HG ARG 78 1HG ARG 78 -9.278 -10.753 0.184 600 2HG ARG 78 2HG ARG 78 -8.299 -10.173 -1.148 601 1HD ARG 78 1HD ARG 78 -7.282 -12.198 -1.247 602 2HD ARG 78 2HD ARG 78 -6.598 -11.911 0.341 603 HE ARG 78 HE ARG 78 -9.127 -12.744 0.983 604 1HH1 ARG 78 1HH1 ARG 78 -6.699 -14.072 -1.191 605 2HH1 ARG 78 2HH1 ARG 78 -7.226 -15.710 -0.984 606 1HH2 ARG 78 1HH2 ARG 78 -9.822 -14.904 1.256 607 2HH2 ARG 78 2HH2 ARG 78 -9.014 -16.186 0.417 608 H ASP 79 H ASP 79 -4.615 -8.496 1.819 609 HA ASP 79 HA ASP 79 -5.671 -6.007 2.752 610 1HB ASP 79 1HB ASP 79 -3.932 -8.098 3.746 611 2HB ASP 79 2HB ASP 79 -3.067 -6.577 3.849 612 H TYR 80 H TYR 80 -3.432 -7.188 0.386 613 HA TYR 80 HA TYR 80 -1.666 -4.903 0.494 614 1HB TYR 80 1HB TYR 80 -2.110 -7.312 -1.377 615 2HB TYR 80 2HB TYR 80 -0.799 -6.170 -1.603 616 HD1 TYR 80 1HD TYR 80 -0.715 -6.052 1.703 617 HD2 TYR 80 2HD TYR 80 -0.227 -9.025 -1.334 618 HE1 TYR 80 1HE TYR 80 0.746 -7.423 3.269 619 HE2 TYR 80 2HE TYR 80 1.231 -10.386 0.242 620 HH TYR 80 HH TYR 80 1.260 -10.101 3.366 621 H VAL 81 H VAL 81 -3.589 -6.391 -2.210 622 HA VAL 81 HA VAL 81 -3.546 -4.390 -3.965 623 HB VAL 81 HB VAL 81 -5.967 -6.029 -3.185 624 1HG1 VAL 81 1HG1 VAL 81 -6.398 -5.750 -5.740 625 2HG1 VAL 81 2HG1 VAL 81 -6.831 -4.424 -4.635 626 3HG1 VAL 81 3HG1 VAL 81 -5.335 -4.331 -5.593 627 1HG2 VAL 81 1HG2 VAL 81 -4.390 -7.650 -3.639 628 2HG2 VAL 81 2HG2 VAL 81 -5.043 -7.362 -5.270 629 3HG2 VAL 81 3HG2 VAL 81 -3.498 -6.620 -4.787 630 H PHE 82 H PHE 82 -5.905 -4.618 -1.211 631 HA PHE 82 HA PHE 82 -7.387 -2.438 -1.596 632 1HB PHE 82 1HB PHE 82 -7.421 -4.044 0.362 633 2HB PHE 82 2HB PHE 82 -5.935 -3.335 0.967 634 HD1 PHE 82 1HD PHE 82 -6.374 -2.203 2.923 635 HD2 PHE 82 2HD PHE 82 -9.114 -1.822 -0.295 636 HE1 PHE 82 1HE PHE 82 -7.707 -0.545 4.255 637 HE2 PHE 82 2HE PHE 82 -10.447 -0.164 1.037 638 HZ PHE 82 HZ PHE 82 -9.728 0.454 3.296 639 H TYR 83 H TYR 83 -4.028 -2.463 -0.260 640 HA TYR 83 HA TYR 83 -4.024 0.378 0.098 641 1HB TYR 83 1HB TYR 83 -2.026 -1.955 0.136 642 2HB TYR 83 2HB TYR 83 -1.467 -0.311 0.373 643 HD1 TYR 83 1HD TYR 83 -4.670 -0.407 1.750 644 HD2 TYR 83 2HD TYR 83 -0.686 -1.765 2.521 645 HE1 TYR 83 1HE TYR 83 -5.201 -0.583 4.230 646 HE2 TYR 83 2HE TYR 83 -1.232 -1.936 4.998 647 HH TYR 83 HH TYR 83 -4.497 -1.183 6.181 648 H LEU 84 H LEU 84 -2.437 -1.961 -2.182 649 HA LEU 84 HA LEU 84 -0.927 -0.290 -3.646 650 1HB LEU 84 1HB LEU 84 -2.517 -2.728 -4.284 651 2HB LEU 84 2HB LEU 84 -1.813 -1.834 -5.618 652 HG LEU 84 HG LEU 84 0.417 -2.012 -4.352 653 1HD1 LEU 84 1HD1 LEU 84 0.389 -4.232 -2.958 654 2HD1 LEU 84 2HD1 LEU 84 -0.042 -2.680 -2.201 655 3HD1 LEU 84 3HD1 LEU 84 -1.321 -3.811 -2.703 656 1HD2 LEU 84 1HD2 LEU 84 0.878 -4.223 -5.286 657 2HD2 LEU 84 2HD2 LEU 84 -0.868 -4.525 -5.458 658 3HD2 LEU 84 3HD2 LEU 84 -0.090 -3.236 -6.408 659 H ALA 85 H ALA 85 -4.502 -0.660 -3.810 660 HA ALA 85 HA ALA 85 -4.777 1.092 -6.024 661 1HB ALA 85 1HB ALA 85 -6.893 0.449 -3.950 662 2HB ALA 85 2HB ALA 85 -7.102 0.785 -5.686 663 3HB ALA 85 3HB ALA 85 -6.370 -0.749 -5.158 664 H VAL 86 H VAL 86 -5.432 1.451 -2.464 665 HA VAL 86 HA VAL 86 -6.216 4.009 -2.358 666 HB VAL 86 HB VAL 86 -4.530 2.286 -0.599 667 1HG1 VAL 86 1HG1 VAL 86 -5.122 5.208 -0.016 668 2HG1 VAL 86 2HG1 VAL 86 -4.447 4.032 1.137 669 3HG1 VAL 86 3HG1 VAL 86 -3.518 4.497 -0.309 670 1HG2 VAL 86 1HG2 VAL 86 -6.419 2.282 0.813 671 2HG2 VAL 86 2HG2 VAL 86 -7.102 3.738 0.051 672 3HG2 VAL 86 3HG2 VAL 86 -7.084 2.194 -0.835 673 H GLY 87 H GLY 87 -2.757 2.907 -2.456 674 1HA GLY 87 1HA GLY 87 -1.649 5.494 -2.521 675 2HA GLY 87 2HA GLY 87 -0.873 4.003 -3.014 676 H ASN 88 H ASN 88 -2.405 3.104 -5.157 677 HA ASN 88 HA ASN 88 -1.401 4.535 -7.228 678 1HB ASN 88 1HB ASN 88 -3.552 2.474 -6.883 679 2HB ASN 88 2HB ASN 88 -3.630 3.380 -8.380 680 1HD2 ASN 88 1HD2 ASN 88 -2.370 0.730 -6.886 681 2HD2 ASN 88 2HD2 ASN 88 -1.029 0.366 -7.920 682 H TYR 89 H TYR 89 -4.771 4.543 -5.844 683 HA TYR 89 HA TYR 89 -5.991 6.296 -7.529 684 1HB TYR 89 1HB TYR 89 -7.268 5.272 -5.770 685 2HB TYR 89 2HB TYR 89 -6.044 5.613 -4.564 686 HD1 TYR 89 1HD TYR 89 -6.084 7.643 -3.282 687 HD2 TYR 89 2HD TYR 89 -8.819 7.092 -6.525 688 HE1 TYR 89 1HE TYR 89 -7.419 9.665 -2.510 689 HE2 TYR 89 2HE TYR 89 -10.145 9.116 -5.742 690 HH TYR 89 HH TYR 89 -10.498 10.451 -3.957 691 H ARG 90 H ARG 90 -4.043 7.109 -4.576 692 HA ARG 90 HA ARG 90 -4.442 9.782 -4.610 693 1HB ARG 90 1HB ARG 90 -2.830 8.003 -3.198 694 2HB ARG 90 2HB ARG 90 -1.633 8.989 -4.015 695 1HG ARG 90 1HG ARG 90 -3.940 10.382 -2.651 696 2HG ARG 90 2HG ARG 90 -2.661 9.723 -1.650 697 1HD ARG 90 1HD ARG 90 -1.154 11.327 -2.300 698 2HD ARG 90 2HD ARG 90 -1.629 11.228 -3.984 699 HE ARG 90 HE ARG 90 -3.687 12.489 -2.352 700 1HH1 ARG 90 1HH1 ARG 90 -0.649 13.070 -4.029 701 2HH1 ARG 90 2HH1 ARG 90 -0.935 14.766 -4.229 702 1HH2 ARG 90 1HH2 ARG 90 -4.066 14.728 -2.615 703 2HH2 ARG 90 2HH2 ARG 90 -2.892 15.715 -3.418 704 H LEU 91 H LEU 91 -2.368 7.768 -6.691 705 HA LEU 91 HA LEU 91 -1.064 10.102 -7.814 706 1HB LEU 91 1HB LEU 91 -0.769 7.131 -8.231 707 2HB LEU 91 2HB LEU 91 0.052 8.312 -9.231 708 HG LEU 91 HG LEU 91 1.017 9.255 -7.037 709 1HD1 LEU 91 1HD1 LEU 91 0.198 6.524 -6.011 710 2HD1 LEU 91 2HD1 LEU 91 1.152 7.754 -5.148 711 3HD1 LEU 91 3HD1 LEU 91 -0.556 8.065 -5.541 712 1HD2 LEU 91 1HD2 LEU 91 2.380 6.765 -7.105 713 2HD2 LEU 91 2HD2 LEU 91 1.835 7.125 -8.761 714 3HD2 LEU 91 3HD2 LEU 91 2.833 8.304 -7.876 715 H LYS 92 H LYS 92 -4.081 9.447 -7.984 716 HA LYS 92 HA LYS 92 -5.706 9.531 -9.479 717 1HB LYS 92 1HB LYS 92 -5.524 11.152 -11.175 718 2HB LYS 92 2HB LYS 92 -4.451 11.695 -9.901 719 1HG LYS 92 1HG LYS 92 -2.515 11.218 -11.122 720 2HG LYS 92 2HG LYS 92 -3.268 9.915 -12.020 721 1HD LYS 92 1HD LYS 92 -4.742 11.800 -13.107 722 2HD LYS 92 2HD LYS 92 -3.540 12.907 -12.474 723 1HE LYS 92 1HE LYS 92 -1.959 10.937 -13.664 724 2HE LYS 92 2HE LYS 92 -3.340 11.006 -14.741 725 1HZ LYS 92 1HZ LYS 92 -1.344 12.995 -14.228 726 2HZ LYS 92 2HZ LYS 92 -2.224 12.725 -15.576 727 3HZ LYS 92 3HZ LYS 92 -2.865 13.579 -14.340 728 H GLU 93 H GLU 93 -3.567 7.280 -9.534 729 HA GLU 93 HA GLU 93 -3.697 6.471 -12.275 730 1HB GLU 93 1HB GLU 93 -2.512 5.240 -9.760 731 2HB GLU 93 2HB GLU 93 -2.543 4.368 -11.280 732 1HG GLU 93 1HG GLU 93 -1.281 7.122 -10.878 733 2HG GLU 93 2HG GLU 93 -0.392 5.612 -10.922 734 H TYR 94 H TYR 94 -6.290 6.830 -11.398 735 HA TYR 94 HA TYR 94 -7.677 4.968 -10.099 736 1HB TYR 94 1HB TYR 94 -8.302 5.902 -12.963 737 2HB TYR 94 2HB TYR 94 -9.478 5.552 -11.713 738 HD1 TYR 94 1HD TYR 94 -8.830 8.150 -13.474 739 HD2 TYR 94 2HD TYR 94 -8.150 7.014 -9.406 740 HE1 TYR 94 1HE TYR 94 -8.832 10.597 -12.782 741 HE2 TYR 94 2HE TYR 94 -8.155 9.464 -8.728 742 HH TYR 94 HH TYR 94 -8.994 11.972 -11.040 743 H GLU 95 H GLU 95 -6.635 4.631 -13.564 744 HA GLU 95 HA GLU 95 -7.739 2.339 -14.236 745 1HB GLU 95 1HB GLU 95 -4.922 3.347 -14.724 746 2HB GLU 95 2HB GLU 95 -5.449 1.828 -15.421 747 1HG GLU 95 1HG GLU 95 -7.330 2.952 -16.562 748 2HG GLU 95 2HG GLU 95 -6.938 4.471 -15.781 749 H LYS 96 H LYS 96 -4.363 2.268 -12.879 750 HA LYS 96 HA LYS 96 -4.379 -0.427 -12.307 751 1HB LYS 96 1HB LYS 96 -2.831 1.798 -10.946 752 2HB LYS 96 2HB LYS 96 -2.453 0.091 -10.848 753 1HG LYS 96 1HG LYS 96 -2.682 1.515 -13.529 754 2HG LYS 96 2HG LYS 96 -1.182 1.507 -12.623 755 1HD LYS 96 1HD LYS 96 -1.390 -1.066 -12.548 756 2HD LYS 96 2HD LYS 96 -2.695 -0.910 -13.706 757 1HE LYS 96 1HE LYS 96 -1.190 -0.764 -15.396 758 2HE LYS 96 2HE LYS 96 -0.524 0.694 -14.688 759 1HZ LYS 96 1HZ LYS 96 0.474 -1.974 -14.586 760 2HZ LYS 96 2HZ LYS 96 1.270 -0.558 -14.422 761 3HZ LYS 96 3HZ LYS 96 0.508 -1.220 -13.138 762 H ALA 97 H ALA 97 -5.142 2.374 -10.130 763 HA ALA 97 HA ALA 97 -5.601 1.101 -7.810 764 1HB ALA 97 1HB ALA 97 -5.805 3.518 -8.123 765 2HB ALA 97 2HB ALA 97 -7.269 3.293 -9.110 766 3HB ALA 97 3HB ALA 97 -7.293 2.884 -7.378 767 H LEU 98 H LEU 98 -8.166 1.625 -10.342 768 HA LEU 98 HA LEU 98 -10.064 0.025 -9.122 769 1HB LEU 98 1HB LEU 98 -9.651 1.348 -11.676 770 2HB LEU 98 2HB LEU 98 -10.505 -0.170 -11.866 771 HG LEU 98 HG LEU 98 -12.074 1.658 -11.639 772 1HD1 LEU 98 1HD1 LEU 98 -11.938 -0.468 -9.567 773 2HD1 LEU 98 2HD1 LEU 98 -13.125 0.836 -9.319 774 3HD1 LEU 98 3HD1 LEU 98 -13.173 -0.139 -10.807 775 1HD2 LEU 98 1HD2 LEU 98 -11.918 2.478 -8.966 776 2HD2 LEU 98 2HD2 LEU 98 -10.247 2.539 -9.576 777 3HD2 LEU 98 3HD2 LEU 98 -11.535 3.433 -10.419 778 H LYS 99 H LYS 99 -7.850 -0.835 -11.879 779 HA LYS 99 HA LYS 99 -8.472 -3.412 -12.215 780 1HB LYS 99 1HB LYS 99 -6.257 -1.723 -12.788 781 2HB LYS 99 2HB LYS 99 -5.604 -3.225 -12.166 782 1HG LYS 99 1HG LYS 99 -6.659 -4.536 -13.856 783 2HG LYS 99 2HG LYS 99 -7.815 -3.278 -14.245 784 1HD LYS 99 1HD LYS 99 -6.415 -2.751 -15.966 785 2HD LYS 99 2HD LYS 99 -5.412 -1.987 -14.749 786 1HE LYS 99 1HE LYS 99 -4.044 -3.992 -14.498 787 2HE LYS 99 2HE LYS 99 -5.151 -4.941 -15.469 788 1HZ LYS 99 1HZ LYS 99 -4.215 -4.188 -17.308 789 2HZ LYS 99 2HZ LYS 99 -4.241 -2.628 -16.830 790 3HZ LYS 99 3HZ LYS 99 -3.004 -3.596 -16.386 791 H TYR 100 H TYR 100 -6.934 -1.969 -9.370 792 HA TYR 100 HA TYR 100 -6.375 -4.615 -8.279 793 1HB TYR 100 1HB TYR 100 -5.619 -1.733 -7.915 794 2HB TYR 100 2HB TYR 100 -5.817 -2.586 -6.396 795 HD1 TYR 100 1HD TYR 100 -4.819 -5.318 -7.253 796 HD2 TYR 100 2HD TYR 100 -3.283 -1.388 -7.961 797 HE1 TYR 100 1HE TYR 100 -2.473 -6.269 -7.487 798 HE2 TYR 100 2HE TYR 100 -0.941 -2.353 -8.193 799 HH TYR 100 HH TYR 100 -0.418 -5.820 -8.241 800 H VAL 101 H VAL 101 -8.475 -1.734 -7.800 801 HA VAL 101 HA VAL 101 -9.591 -2.729 -5.379 802 HB VAL 101 HB VAL 101 -9.819 -0.398 -7.132 803 1HG1 VAL 101 1HG1 VAL 101 -12.293 -1.490 -5.764 804 2HG1 VAL 101 2HG1 VAL 101 -12.099 0.224 -6.204 805 3HG1 VAL 101 3HG1 VAL 101 -12.089 -1.027 -7.471 806 1HG2 VAL 101 1HG2 VAL 101 -10.463 -0.569 -4.186 807 2HG2 VAL 101 2HG2 VAL 101 -8.786 -0.637 -4.779 808 3HG2 VAL 101 3HG2 VAL 101 -9.792 0.795 -5.110 809 H ARG 102 H ARG 102 -9.941 -3.512 -8.722 810 HA ARG 102 HA ARG 102 -12.671 -4.310 -8.442 811 1HB ARG 102 1HB ARG 102 -10.639 -4.657 -10.702 812 2HB ARG 102 2HB ARG 102 -12.303 -5.194 -10.815 813 1HG ARG 102 1HG ARG 102 -11.506 -2.312 -10.194 814 2HG ARG 102 2HG ARG 102 -11.850 -2.891 -11.812 815 1HD ARG 102 1HD ARG 102 -13.954 -3.608 -9.847 816 2HD ARG 102 2HD ARG 102 -13.736 -1.878 -10.023 817 HE ARG 102 HE ARG 102 -13.830 -3.246 -12.600 818 1HH1 ARG 102 1HH1 ARG 102 -15.802 -1.887 -10.021 819 2HH1 ARG 102 2HH1 ARG 102 -17.177 -1.622 -11.040 820 1HH2 ARG 102 1HH2 ARG 102 -15.644 -2.895 -13.944 821 2HH2 ARG 102 2HH2 ARG 102 -17.087 -2.199 -13.286 822 H GLY 103 H GLY 103 -9.493 -5.931 -9.192 823 1HA GLY 103 1HA GLY 103 -10.420 -8.565 -9.025 824 2HA GLY 103 2HA GLY 103 -8.763 -8.026 -8.837 825 H LEU 104 H LEU 104 -9.599 -6.170 -6.532 826 HA LEU 104 HA LEU 104 -9.201 -8.115 -4.481 827 1HB LEU 104 1HB LEU 104 -8.089 -5.958 -4.446 828 2HB LEU 104 2HB LEU 104 -9.631 -5.127 -4.401 829 HG LEU 104 HG LEU 104 -8.313 -5.347 -2.217 830 1HD1 LEU 104 1HD1 LEU 104 -11.118 -5.390 -2.775 831 2HD1 LEU 104 2HD1 LEU 104 -10.810 -6.338 -1.300 832 3HD1 LEU 104 3HD1 LEU 104 -10.253 -4.650 -1.407 833 1HD2 LEU 104 1HD2 LEU 104 -7.773 -7.761 -2.525 834 2HD2 LEU 104 2HD2 LEU 104 -8.513 -7.377 -0.952 835 3HD2 LEU 104 3HD2 LEU 104 -9.488 -8.139 -2.232 836 H LEU 105 H LEU 105 -11.898 -6.040 -5.651 837 HA LEU 105 HA LEU 105 -13.638 -6.774 -3.543 838 1HB LEU 105 1HB LEU 105 -13.774 -5.248 -6.071 839 2HB LEU 105 2HB LEU 105 -15.283 -5.952 -5.527 840 HG LEU 105 HG LEU 105 -13.559 -4.231 -3.736 841 1HD1 LEU 105 1HD1 LEU 105 -14.888 -2.316 -4.315 842 2HD1 LEU 105 2HD1 LEU 105 -14.189 -2.996 -5.804 843 3HD1 LEU 105 3HD1 LEU 105 -15.900 -3.288 -5.411 844 1HD2 LEU 105 1HD2 LEU 105 -16.208 -5.546 -3.516 845 2HD2 LEU 105 2HD2 LEU 105 -14.998 -5.166 -2.267 846 3HD2 LEU 105 3HD2 LEU 105 -16.085 -3.892 -2.870 847 H GLN 106 H GLN 106 -12.660 -8.219 -6.617 848 HA GLN 106 HA GLN 106 -14.818 -9.777 -7.153 849 1HB GLN 106 1HB GLN 106 -12.121 -9.582 -8.006 850 2HB GLN 106 2HB GLN 106 -12.339 -11.264 -7.569 851 1HG GLN 106 1HG GLN 106 -14.694 -10.414 -9.007 852 2HG GLN 106 2HG GLN 106 -13.292 -9.893 -9.920 853 1HE2 GLN 106 1HE2 GLN 106 -11.575 -11.497 -10.282 854 2HE2 GLN 106 2HE2 GLN 106 -12.007 -13.148 -10.576 855 H THR 107 H THR 107 -11.956 -10.612 -5.070 856 HA THR 107 HA THR 107 -13.410 -12.937 -4.076 857 HB THR 107 HB THR 107 -10.900 -12.824 -4.852 858 HG1 THR 107 1HG THR 107 -10.496 -14.323 -2.979 859 1HG2 THR 107 1HG2 THR 107 -10.427 -12.113 -1.949 860 2HG2 THR 107 2HG2 THR 107 -9.302 -12.018 -3.325 861 3HG2 THR 107 3HG2 THR 107 -10.574 -10.788 -3.129 862 H GLU 108 H GLU 108 -13.350 -9.664 -3.415 863 HA GLU 108 HA GLU 108 -14.225 -10.246 -0.719 864 1HB GLU 108 1HB GLU 108 -12.250 -8.016 -1.381 865 2HB GLU 108 2HB GLU 108 -12.961 -8.315 0.194 866 1HG GLU 108 1HG GLU 108 -11.378 -10.466 -1.269 867 2HG GLU 108 2HG GLU 108 -10.583 -9.273 -0.261 868 HA PRO 109 HA PRO 109 -16.918 -7.409 -3.060 869 1HB PRO 109 1HB PRO 109 -19.200 -8.910 -3.020 870 2HB PRO 109 2HB PRO 109 -18.072 -8.917 -4.361 871 1HG PRO 109 1HG PRO 109 -18.486 -10.973 -2.278 872 2HG PRO 109 2HG PRO 109 -17.696 -11.131 -3.833 873 1HD PRO 109 1HD PRO 109 -16.420 -10.926 -1.273 874 2HD PRO 109 2HD PRO 109 -15.630 -10.967 -2.838 875 H GLN 110 H GLN 110 -17.431 -9.249 -0.156 876 HA GLN 110 HA GLN 110 -19.428 -7.528 0.807 877 1HB GLN 110 1HB GLN 110 -19.110 -8.720 2.941 878 2HB GLN 110 2HB GLN 110 -19.155 -9.854 1.605 879 1HG GLN 110 1HG GLN 110 -16.580 -9.737 1.574 880 2HG GLN 110 2HG GLN 110 -16.683 -8.853 3.084 881 1HE2 GLN 110 1HE2 GLN 110 -15.444 -11.378 2.639 882 2HE2 GLN 110 2HE2 GLN 110 -16.231 -12.565 3.627 883 H ASN 111 H ASN 111 -15.977 -7.282 0.518 884 HA ASN 111 HA ASN 111 -15.363 -5.814 2.754 885 1HB ASN 111 1HB ASN 111 -13.666 -6.716 1.167 886 2HB ASN 111 2HB ASN 111 -14.225 -5.624 -0.086 887 1HD2 ASN 111 1HD2 ASN 111 -11.639 -5.575 0.518 888 2HD2 ASN 111 2HD2 ASN 111 -11.187 -4.148 1.390 889 H ASN 112 H ASN 112 -16.288 -3.855 3.375 890 HA ASN 112 HA ASN 112 -17.696 -2.307 1.474 891 1HB ASN 112 1HB ASN 112 -16.913 -1.421 4.289 892 2HB ASN 112 2HB ASN 112 -18.321 -0.929 3.368 893 1HD2 ASN 112 1HD2 ASN 112 -16.929 -3.242 5.472 894 2HD2 ASN 112 2HD2 ASN 112 -18.287 -4.301 5.660 895 H GLN 113 H GLN 113 -14.565 -2.184 3.244 896 HA GLN 113 HA GLN 113 -13.885 0.419 2.774 897 1HB GLN 113 1HB GLN 113 -12.128 -2.068 2.933 898 2HB GLN 113 2HB GLN 113 -11.493 -0.435 2.959 899 1HG GLN 113 1HG GLN 113 -11.992 -0.203 5.160 900 2HG GLN 113 2HG GLN 113 -13.667 -0.632 4.878 901 1HE2 GLN 113 1HE2 GLN 113 -10.669 -1.585 6.130 902 2HE2 GLN 113 2HE2 GLN 113 -11.036 -3.222 6.563 903 H ALA 114 H ALA 114 -13.772 -2.427 0.618 904 HA ALA 114 HA ALA 114 -12.224 -1.089 -1.381 905 1HB ALA 114 1HB ALA 114 -12.505 -3.647 -0.819 906 2HB ALA 114 2HB ALA 114 -13.935 -3.522 -1.872 907 3HB ALA 114 3HB ALA 114 -12.322 -3.127 -2.511 908 H LYS 115 H LYS 115 -15.696 -1.779 -0.726 909 HA LYS 115 HA LYS 115 -16.768 -1.039 -3.129 910 1HB LYS 115 1HB LYS 115 -17.690 -1.136 -0.311 911 2HB LYS 115 2HB LYS 115 -18.639 -0.129 -1.385 912 1HG LYS 115 1HG LYS 115 -18.506 -2.204 -3.028 913 2HG LYS 115 2HG LYS 115 -18.088 -3.103 -1.584 914 1HD LYS 115 1HD LYS 115 -20.206 -2.930 -0.691 915 2HD LYS 115 2HD LYS 115 -20.430 -1.288 -1.264 916 1HE LYS 115 1HE LYS 115 -20.995 -2.040 -3.498 917 2HE LYS 115 2HE LYS 115 -20.448 -3.672 -3.164 918 1HZ LYS 115 1HZ LYS 115 -22.877 -3.328 -3.040 919 2HZ LYS 115 2HZ LYS 115 -22.237 -3.986 -1.689 920 3HZ LYS 115 3HZ LYS 115 -22.661 -2.409 -1.707 921 H GLU 116 H GLU 116 -16.247 1.133 -0.258 922 HA GLU 116 HA GLU 116 -17.002 3.441 -1.436 923 1HB GLU 116 1HB GLU 116 -15.125 2.706 0.773 924 2HB GLU 116 2HB GLU 116 -14.970 4.338 0.153 925 1HG GLU 116 1HG GLU 116 -17.780 3.824 0.411 926 2HG GLU 116 2HG GLU 116 -17.028 3.243 1.883 927 H LEU 117 H LEU 117 -13.604 2.139 -1.289 928 HA LEU 117 HA LEU 117 -12.291 4.029 -2.669 929 1HB LEU 117 1HB LEU 117 -11.916 1.299 -1.985 930 2HB LEU 117 2HB LEU 117 -11.437 1.487 -3.660 931 HG LEU 117 HG LEU 117 -10.367 3.072 -1.307 932 1HD1 LEU 117 1HD1 LEU 117 -9.569 0.558 -2.566 933 2HD1 LEU 117 2HD1 LEU 117 -8.257 1.761 -2.517 934 3HD1 LEU 117 3HD1 LEU 117 -9.078 1.278 -1.013 935 1HD2 LEU 117 1HD2 LEU 117 -8.925 4.223 -2.782 936 2HD2 LEU 117 2HD2 LEU 117 -9.358 3.176 -4.154 937 3HD2 LEU 117 3HD2 LEU 117 -10.548 4.328 -3.504 938 H GLU 118 H GLU 118 -13.832 1.147 -4.271 939 HA GLU 118 HA GLU 118 -13.440 1.741 -6.804 940 1HB GLU 118 1HB GLU 118 -14.875 -0.132 -5.701 941 2HB GLU 118 2HB GLU 118 -16.229 0.966 -5.882 942 1HG GLU 118 1HG GLU 118 -14.442 -0.076 -8.129 943 2HG GLU 118 2HG GLU 118 -16.102 -0.550 -7.824 944 H ARG 119 H ARG 119 -16.246 3.060 -4.897 945 HA ARG 119 HA ARG 119 -17.115 4.693 -6.959 946 1HB ARG 119 1HB ARG 119 -17.595 4.493 -3.992 947 2HB ARG 119 2HB ARG 119 -18.094 5.983 -4.771 948 1HG ARG 119 1HG ARG 119 -18.992 3.936 -6.511 949 2HG ARG 119 2HG ARG 119 -19.321 3.321 -4.903 950 1HD ARG 119 1HD ARG 119 -21.136 4.677 -4.769 951 2HD ARG 119 2HD ARG 119 -20.086 6.078 -4.861 952 HE ARG 119 HE ARG 119 -20.790 6.392 -7.059 953 1HH1 ARG 119 1HH1 ARG 119 -21.280 3.014 -6.203 954 2HH1 ARG 119 2HH1 ARG 119 -22.047 2.612 -7.703 955 1HH2 ARG 119 1HH2 ARG 119 -21.804 5.863 -9.038 956 2HH2 ARG 119 2HH2 ARG 119 -22.348 4.244 -9.327 957 H LEU 120 H LEU 120 -15.077 5.340 -4.024 958 HA LEU 120 HA LEU 120 -14.750 8.016 -4.213 959 1HB LEU 120 1HB LEU 120 -12.835 5.832 -3.424 960 2HB LEU 120 2HB LEU 120 -12.405 7.528 -3.305 961 HG LEU 120 HG LEU 120 -14.939 6.575 -2.010 962 1HD1 LEU 120 1HD1 LEU 120 -13.613 6.125 0.076 963 2HD1 LEU 120 2HD1 LEU 120 -13.415 4.924 -1.222 964 3HD1 LEU 120 3HD1 LEU 120 -12.145 6.137 -0.932 965 1HD2 LEU 120 1HD2 LEU 120 -14.009 8.335 -0.304 966 2HD2 LEU 120 2HD2 LEU 120 -13.022 8.857 -1.690 967 3HD2 LEU 120 3HD2 LEU 120 -14.798 8.862 -1.810 968 H ILE 121 H ILE 121 -12.951 5.476 -6.060 969 HA ILE 121 HA ILE 121 -11.412 7.395 -7.475 970 HB ILE 121 HB ILE 121 -11.957 4.465 -7.957 971 1HG1 ILE 121 1HG1 ILE 121 -9.282 5.230 -7.093 972 2HG1 ILE 121 2HG1 ILE 121 -10.497 5.727 -5.933 973 1HG2 ILE 121 1HG2 ILE 121 -10.032 6.368 -9.307 974 2HG2 ILE 121 2HG2 ILE 121 -9.864 4.597 -9.355 975 3HG2 ILE 121 3HG2 ILE 121 -11.305 5.374 -10.053 976 1HD1 ILE 121 1HD1 ILE 121 -9.429 3.171 -6.138 977 2HD1 ILE 121 2HD1 ILE 121 -10.952 3.581 -5.314 978 3HD1 ILE 121 3HD1 ILE 121 -10.978 3.011 -7.000 979 H ASP 122 H ASP 122 -14.561 5.783 -7.934 980 HA ASP 122 HA ASP 122 -14.860 6.291 -10.615 981 1HB ASP 122 1HB ASP 122 -16.346 4.965 -8.904 982 2HB ASP 122 2HB ASP 122 -17.134 6.502 -8.607 983 H LYS 123 H LYS 123 -15.311 8.312 -7.685 984 HA LYS 123 HA LYS 123 -16.605 10.434 -9.114 985 1HB LYS 123 1HB LYS 123 -16.277 9.645 -6.408 986 2HB LYS 123 2HB LYS 123 -15.544 11.229 -6.557 987 1HG LYS 123 1HG LYS 123 -17.693 11.927 -7.845 988 2HG LYS 123 2HG LYS 123 -18.394 10.428 -7.268 989 1HD LYS 123 1HD LYS 123 -17.107 11.771 -5.041 990 2HD LYS 123 2HD LYS 123 -18.150 12.916 -5.861 991 1HE LYS 123 1HE LYS 123 -20.055 11.311 -5.705 992 2HE LYS 123 2HE LYS 123 -19.016 10.139 -4.920 993 1HZ LYS 123 1HZ LYS 123 -20.447 12.022 -3.665 994 2HZ LYS 123 2HZ LYS 123 -19.187 11.217 -3.009 995 3HZ LYS 123 3HZ LYS 123 -18.959 12.693 -3.668 996 H ALA 124 H ALA 124 -13.316 9.697 -7.834 997 HA ALA 124 HA ALA 124 -12.124 12.122 -8.302 998 1HB ALA 124 1HB ALA 124 -10.130 10.359 -8.892 999 2HB ALA 124 2HB ALA 124 -10.681 10.714 -7.237 1000 3HB ALA 124 3HB ALA 124 -11.291 9.275 -8.090 1001 H MET 125 H MET 125 -12.356 9.288 -10.571 1002 HA MET 125 HA MET 125 -11.094 10.363 -12.684 1003 1HB MET 125 1HB MET 125 -13.656 8.672 -12.642 1004 2HB MET 125 2HB MET 125 -12.648 8.873 -14.062 1005 1HG MET 125 1HG MET 125 -10.932 8.099 -11.869 1006 2HG MET 125 2HG MET 125 -12.306 7.012 -11.883 1007 1HE MET 125 1HE MET 125 -10.261 4.627 -13.541 1008 2HE MET 125 2HE MET 125 -11.386 5.152 -12.266 1009 3HE MET 125 3HE MET 125 -12.011 4.675 -13.863 1010 H LYS 126 H LYS 126 -14.619 10.720 -11.886 1011 HA LYS 126 HA LYS 126 -15.223 12.311 -14.103 1012 1HB LYS 126 1HB LYS 126 -16.557 11.243 -11.808 1013 2HB LYS 126 2HB LYS 126 -16.933 12.952 -11.903 1014 1HG LYS 126 1HG LYS 126 -17.003 11.517 -14.517 1015 2HG LYS 126 2HG LYS 126 -18.211 10.990 -13.363 1016 1HD LYS 126 1HD LYS 126 -19.133 13.215 -13.154 1017 2HD LYS 126 2HD LYS 126 -17.761 13.940 -13.970 1018 1HE LYS 126 1HE LYS 126 -18.643 13.541 -16.036 1019 2HE LYS 126 2HE LYS 126 -19.025 11.876 -15.642 1020 1HZ LYS 126 1HZ LYS 126 -20.650 14.254 -15.233 1021 2HZ LYS 126 2HZ LYS 126 -21.071 12.817 -15.882 1022 3HZ LYS 126 3HZ LYS 126 -20.886 12.959 -14.267 1023 H LYS 127 H LYS 127 -14.254 13.138 -10.716 1024 HA LYS 127 HA LYS 127 -14.506 15.867 -10.908 1025 1HB LYS 127 1HB LYS 127 -12.624 14.107 -9.327 1026 2HB LYS 127 2HB LYS 127 -12.639 15.850 -9.149 1027 1HG LYS 127 1HG LYS 127 -14.709 15.876 -8.113 1028 2HG LYS 127 2HG LYS 127 -15.323 14.532 -9.057 1029 1HD LYS 127 1HD LYS 127 -14.661 12.983 -7.510 1030 2HD LYS 127 2HD LYS 127 -13.097 13.738 -7.281 1031 1HE LYS 127 1HE LYS 127 -14.340 13.892 -5.184 1032 2HE LYS 127 2HE LYS 127 -14.182 15.505 -5.850 1033 1HZ LYS 127 1HZ LYS 127 -16.502 14.197 -6.801 1034 2HZ LYS 127 2HZ LYS 127 -16.494 14.282 -5.170 1035 3HZ LYS 127 3HZ LYS 127 -16.361 15.645 -6.060 1036 H SER 128 H SER 128 -11.578 13.840 -11.628 1037 HA SER 128 HA SER 128 -10.874 15.826 -13.600 1038 1HB SER 128 1HB SER 128 -9.664 15.897 -11.095 1039 2HB SER 128 2HB SER 128 -8.535 14.928 -12.020 1040 HG SER 128 HG SER 128 -9.274 17.656 -12.342 1041 H GLY 129 H GLY 129 -9.490 14.958 -15.292 1042 1HA GLY 129 1HA GLY 129 -9.352 12.005 -15.248 1043 2HA GLY 129 2HA GLY 129 -9.586 12.991 -16.677 1044 HA PRO 130 HA PRO 130 -5.105 12.188 -16.175 1045 1HB PRO 130 1HB PRO 130 -4.688 10.680 -18.416 1046 2HB PRO 130 2HB PRO 130 -4.955 9.985 -16.829 1047 1HG PRO 130 1HG PRO 130 -6.817 10.143 -19.120 1048 2HG PRO 130 2HG PRO 130 -6.897 9.106 -17.709 1049 1HD PRO 130 1HD PRO 130 -8.453 11.467 -18.195 1050 2HD PRO 130 2HD PRO 130 -8.449 10.495 -16.736 1051 H SER 131 H SER 131 -3.223 12.756 -17.652 1052 HA SER 131 HA SER 131 -4.061 14.372 -19.850 1053 1HB SER 131 1HB SER 131 -4.327 15.903 -17.873 1054 2HB SER 131 2HB SER 131 -2.632 15.675 -17.490 1055 HG SER 131 HG SER 131 -2.211 16.483 -19.757 1056 H SER 132 H SER 132 -2.621 13.721 -21.404 1057 HA SER 132 HA SER 132 -0.725 13.355 -22.414 1058 1HB SER 132 1HB SER 132 0.833 14.040 -19.893 1059 2HB SER 132 2HB SER 132 1.397 14.116 -21.551 1060 HG SER 132 HG SER 132 0.885 16.210 -21.213 1061 H GLY 133 H GLY 133 0.026 12.455 -18.961 1062 1HA GLY 133 1HA GLY 133 -0.113 9.629 -19.655 1063 2HA GLY 133 2HA GLY 133 1.469 10.241 -19.215 Start of MODEL 8 1 H GLY 1 H GLY 1 -11.072 6.436 15.690 2 1HA GLY 1 1HA GLY 1 -8.492 6.909 16.516 3 2HA GLY 1 2HA GLY 1 -9.388 6.598 17.990 4 H SER 2 H SER 2 -7.869 4.663 18.054 5 HA SER 2 HA SER 2 -7.477 2.537 17.858 6 1HB SER 2 1HB SER 2 -10.443 2.587 17.241 7 2HB SER 2 2HB SER 2 -9.567 1.070 17.188 8 HG SER 2 HG SER 2 -10.616 1.777 19.308 9 H SER 3 H SER 3 -7.373 0.581 16.265 10 HA SER 3 HA SER 3 -7.498 1.583 13.533 11 1HB SER 3 1HB SER 3 -5.153 1.661 14.246 12 2HB SER 3 2HB SER 3 -5.231 0.009 14.829 13 HG SER 3 HG SER 3 -5.104 0.988 12.154 14 H GLY 4 H GLY 4 -9.310 0.407 12.864 15 1HA GLY 4 1HA GLY 4 -8.966 -2.447 12.577 16 2HA GLY 4 2HA GLY 4 -10.242 -1.989 13.685 17 H SER 5 H SER 5 -12.155 -0.952 12.916 18 HA SER 5 HA SER 5 -12.294 -0.847 10.004 19 1HB SER 5 1HB SER 5 -14.253 -1.928 12.044 20 2HB SER 5 2HB SER 5 -14.844 -1.332 10.505 21 HG SER 5 HG SER 5 -13.429 -3.677 11.095 22 H SER 6 H SER 6 -12.391 1.292 9.411 23 HA SER 6 HA SER 6 -14.004 3.014 11.128 24 1HB SER 6 1HB SER 6 -11.286 3.294 10.195 25 2HB SER 6 2HB SER 6 -12.244 4.570 9.469 26 HG SER 6 HG SER 6 -11.902 5.535 11.365 27 H GLY 7 H GLY 7 -12.654 2.868 7.742 28 1HA GLY 7 1HA GLY 7 -14.874 2.533 6.272 29 2HA GLY 7 2HA GLY 7 -14.999 4.226 6.707 30 H MET 8 H MET 8 -14.758 4.703 4.379 31 HA MET 8 HA MET 8 -12.056 4.237 3.412 32 1HB MET 8 1HB MET 8 -13.835 3.502 1.888 33 2HB MET 8 2HB MET 8 -14.692 5.021 2.061 34 1HG MET 8 1HG MET 8 -13.604 5.679 0.167 35 2HG MET 8 2HG MET 8 -12.187 5.872 1.182 36 1HE MET 8 1HE MET 8 -9.890 3.071 0.356 37 2HE MET 8 2HE MET 8 -9.987 4.848 0.321 38 3HE MET 8 3HE MET 8 -10.561 3.952 1.749 39 H GLU 9 H GLU 9 -14.591 6.853 3.397 40 HA GLU 9 HA GLU 9 -12.880 8.860 2.639 41 1HB GLU 9 1HB GLU 9 -15.591 8.618 3.278 42 2HB GLU 9 2HB GLU 9 -15.001 9.730 4.497 43 1HG GLU 9 1HG GLU 9 -13.980 11.151 2.702 44 2HG GLU 9 2HG GLU 9 -14.581 10.042 1.486 45 H ALA 10 H ALA 10 -13.008 7.087 5.594 46 HA ALA 10 HA ALA 10 -11.788 9.256 7.117 47 1HB ALA 10 1HB ALA 10 -12.360 6.479 8.153 48 2HB ALA 10 2HB ALA 10 -12.364 8.032 9.023 49 3HB ALA 10 3HB ALA 10 -13.694 7.633 7.909 50 H VAL 11 H VAL 11 -11.143 6.010 5.715 51 HA VAL 11 HA VAL 11 -8.610 5.688 6.870 52 HB VAL 11 HB VAL 11 -10.135 4.525 4.581 53 1HG1 VAL 11 1HG1 VAL 11 -8.070 2.939 4.336 54 2HG1 VAL 11 2HG1 VAL 11 -8.092 4.498 3.476 55 3HG1 VAL 11 3HG1 VAL 11 -7.158 4.325 4.981 56 1HG2 VAL 11 1HG2 VAL 11 -10.365 3.830 7.025 57 2HG2 VAL 11 2HG2 VAL 11 -10.057 2.527 5.852 58 3HG2 VAL 11 3HG2 VAL 11 -8.733 3.134 6.875 59 H LEU 12 H LEU 12 -9.740 7.160 3.772 60 HA LEU 12 HA LEU 12 -7.094 7.721 2.899 61 1HB LEU 12 1HB LEU 12 -9.867 8.296 1.992 62 2HB LEU 12 2HB LEU 12 -8.593 9.344 1.400 63 HG LEU 12 HG LEU 12 -8.836 6.352 1.026 64 1HD1 LEU 12 1HD1 LEU 12 -8.404 7.989 -1.340 65 2HD1 LEU 12 2HD1 LEU 12 -9.674 6.794 -0.987 66 3HD1 LEU 12 3HD1 LEU 12 -9.862 8.479 -0.444 67 1HD2 LEU 12 1HD2 LEU 12 -6.455 8.105 0.862 68 2HD2 LEU 12 2HD2 LEU 12 -6.584 6.354 1.149 69 3HD2 LEU 12 3HD2 LEU 12 -6.708 6.996 -0.507 70 H ASN 13 H ASN 13 -9.684 9.520 4.633 71 HA ASN 13 HA ASN 13 -8.625 12.007 4.520 72 1HB ASN 13 1HB ASN 13 -10.484 10.530 6.256 73 2HB ASN 13 2HB ASN 13 -9.586 11.712 7.186 74 1HD2 ASN 13 1HD2 ASN 13 -10.998 11.497 3.918 75 2HD2 ASN 13 2HD2 ASN 13 -11.841 13.009 3.944 76 H GLU 14 H GLU 14 -8.161 9.518 7.153 77 HA GLU 14 HA GLU 14 -6.125 11.022 8.382 78 1HB GLU 14 1HB GLU 14 -7.020 9.655 9.979 79 2HB GLU 14 2HB GLU 14 -7.512 8.442 8.814 80 1HG GLU 14 1HG GLU 14 -5.408 7.361 8.839 81 2HG GLU 14 2HG GLU 14 -4.564 8.788 9.409 82 H LEU 15 H LEU 15 -3.852 10.742 8.343 83 HA LEU 15 HA LEU 15 -2.897 8.880 6.280 84 1HB LEU 15 1HB LEU 15 -1.064 10.634 5.952 85 2HB LEU 15 2HB LEU 15 -2.636 10.901 5.225 86 HG LEU 15 HG LEU 15 -2.908 12.173 7.657 87 1HD1 LEU 15 1HD1 LEU 15 -0.721 13.694 7.434 88 2HD1 LEU 15 2HD1 LEU 15 -0.800 12.267 8.495 89 3HD1 LEU 15 3HD1 LEU 15 -0.031 12.144 6.895 90 1HD2 LEU 15 1HD2 LEU 15 -3.760 13.418 5.986 91 2HD2 LEU 15 2HD2 LEU 15 -2.178 14.230 6.052 92 3HD2 LEU 15 3HD2 LEU 15 -2.477 12.961 4.840 93 H VAL 16 H VAL 16 -0.249 8.851 6.645 94 HA VAL 16 HA VAL 16 -0.032 7.671 9.265 95 HB VAL 16 HB VAL 16 0.938 7.045 6.809 96 1HG1 VAL 16 1HG1 VAL 16 3.131 7.630 6.464 97 2HG1 VAL 16 2HG1 VAL 16 2.548 9.104 7.272 98 3HG1 VAL 16 3HG1 VAL 16 3.456 7.884 8.195 99 1HG2 VAL 16 1HG2 VAL 16 2.646 5.620 8.231 100 2HG2 VAL 16 2HG2 VAL 16 1.724 6.282 9.603 101 3HG2 VAL 16 3HG2 VAL 16 0.895 5.328 8.349 102 H SER 17 H SER 17 2.204 8.124 10.436 103 HA SER 17 HA SER 17 2.699 10.988 10.310 104 1HB SER 17 1HB SER 17 2.460 9.412 12.908 105 2HB SER 17 2HB SER 17 2.704 11.140 12.749 106 HG SER 17 HG SER 17 0.499 10.798 13.152 107 H VAL 18 H VAL 18 4.879 11.616 10.937 108 HA VAL 18 HA VAL 18 6.876 9.951 10.116 109 HB VAL 18 HB VAL 18 7.031 12.160 12.177 110 1HG1 VAL 18 1HG1 VAL 18 9.335 12.407 11.566 111 2HG1 VAL 18 2HG1 VAL 18 9.066 10.689 11.946 112 3HG1 VAL 18 3HG1 VAL 18 9.177 11.220 10.251 113 1HG2 VAL 18 1HG2 VAL 18 5.977 13.171 10.359 114 2HG2 VAL 18 2HG2 VAL 18 7.700 13.487 10.042 115 3HG2 VAL 18 3HG2 VAL 18 6.858 12.185 9.168 116 H GLU 19 H GLU 19 5.383 10.268 13.361 117 HA GLU 19 HA GLU 19 7.298 8.765 14.698 118 1HB GLU 19 1HB GLU 19 5.078 10.214 15.420 119 2HB GLU 19 2HB GLU 19 4.484 8.583 15.664 120 1HG GLU 19 1HG GLU 19 6.574 8.097 17.034 121 2HG GLU 19 2HG GLU 19 7.012 9.787 16.886 122 H ASP 20 H ASP 20 4.382 7.892 12.814 123 HA ASP 20 HA ASP 20 4.502 5.179 13.645 124 1HB ASP 20 1HB ASP 20 2.886 6.808 11.683 125 2HB ASP 20 2HB ASP 20 2.899 5.067 11.481 126 H LEU 21 H LEU 21 5.274 7.152 10.700 127 HA LEU 21 HA LEU 21 6.085 4.994 9.103 128 1HB LEU 21 1HB LEU 21 5.403 7.264 8.339 129 2HB LEU 21 2HB LEU 21 6.923 7.892 8.946 130 HG LEU 21 HG LEU 21 7.574 5.708 7.253 131 1HD1 LEU 21 1HD1 LEU 21 5.808 7.640 5.754 132 2HD1 LEU 21 2HD1 LEU 21 6.497 6.092 5.208 133 3HD1 LEU 21 3HD1 LEU 21 5.188 6.107 6.413 134 1HD2 LEU 21 1HD2 LEU 21 9.015 7.602 7.627 135 2HD2 LEU 21 2HD2 LEU 21 8.642 7.487 5.890 136 3HD2 LEU 21 3HD2 LEU 21 7.824 8.706 6.898 137 H LYS 22 H LYS 22 8.043 7.439 10.951 138 HA LYS 22 HA LYS 22 10.494 6.276 10.470 139 1HB LYS 22 1HB LYS 22 11.326 7.749 12.050 140 2HB LYS 22 2HB LYS 22 9.850 8.545 11.540 141 1HG LYS 22 1HG LYS 22 9.698 8.667 13.889 142 2HG LYS 22 2HG LYS 22 8.714 7.263 13.528 143 1HD LYS 22 1HD LYS 22 10.026 6.090 14.961 144 2HD LYS 22 2HD LYS 22 11.302 6.195 13.765 145 1HE LYS 22 1HE LYS 22 11.238 8.712 15.161 146 2HE LYS 22 2HE LYS 22 11.172 7.446 16.372 147 1HZ LYS 22 1HZ LYS 22 13.177 6.622 15.713 148 2HZ LYS 22 2HZ LYS 22 13.086 7.213 14.193 149 3HZ LYS 22 3HZ LYS 22 13.420 8.213 15.440 150 H ASN 23 H ASN 23 8.025 5.560 12.989 151 HA ASN 23 HA ASN 23 9.396 3.993 14.645 152 1HB ASN 23 1HB ASN 23 6.597 4.117 13.679 153 2HB ASN 23 2HB ASN 23 7.028 2.518 14.252 154 1HD2 ASN 23 1HD2 ASN 23 5.686 2.672 16.021 155 2HD2 ASN 23 2HD2 ASN 23 6.043 3.641 17.412 156 H PHE 24 H PHE 24 7.639 2.848 11.653 157 HA PHE 24 HA PHE 24 8.864 0.282 11.779 158 1HB PHE 24 1HB PHE 24 7.354 1.811 9.573 159 2HB PHE 24 2HB PHE 24 7.651 0.084 9.548 160 HD1 PHE 24 1HD PHE 24 7.137 -0.031 12.706 161 HD2 PHE 24 2HD PHE 24 4.947 1.381 9.356 162 HE1 PHE 24 1HE PHE 24 4.989 -0.419 13.945 163 HE2 PHE 24 2HE PHE 24 2.800 0.994 10.595 164 HZ PHE 24 HZ PHE 24 2.845 0.098 12.875 165 H GLU 25 H GLU 25 9.236 3.230 9.706 166 HA GLU 25 HA GLU 25 10.869 2.411 7.816 167 1HB GLU 25 1HB GLU 25 10.114 4.814 8.492 168 2HB GLU 25 2HB GLU 25 11.601 4.886 9.415 169 1HG GLU 25 1HG GLU 25 12.935 4.432 7.383 170 2HG GLU 25 2HG GLU 25 11.476 4.215 6.438 171 H ARG 26 H ARG 26 11.972 3.259 11.172 172 HA ARG 26 HA ARG 26 14.601 2.899 10.887 173 1HB ARG 26 1HB ARG 26 12.986 3.322 13.009 174 2HB ARG 26 2HB ARG 26 13.304 1.624 13.299 175 1HG ARG 26 1HG ARG 26 15.770 2.078 13.213 176 2HG ARG 26 2HG ARG 26 15.442 3.778 12.940 177 1HD ARG 26 1HD ARG 26 14.874 4.164 15.142 178 2HD ARG 26 2HD ARG 26 14.038 2.633 15.306 179 HE ARG 26 HE ARG 26 16.766 1.980 15.064 180 1HH1 ARG 26 1HH1 ARG 26 14.761 3.837 17.279 181 2HH1 ARG 26 2HH1 ARG 26 15.781 3.548 18.648 182 1HH2 ARG 26 1HH2 ARG 26 18.114 1.598 16.869 183 2HH2 ARG 26 2HH2 ARG 26 17.702 2.266 18.413 184 H LYS 27 H LYS 27 12.466 0.265 12.227 185 HA LYS 27 HA LYS 27 14.222 -1.787 12.067 186 1HB LYS 27 1HB LYS 27 11.681 -1.561 12.852 187 2HB LYS 27 2HB LYS 27 11.382 -2.328 11.305 188 1HG LYS 27 1HG LYS 27 12.491 -4.304 11.902 189 2HG LYS 27 2HG LYS 27 13.555 -3.496 13.035 190 1HD LYS 27 1HD LYS 27 11.248 -3.023 14.334 191 2HD LYS 27 2HD LYS 27 10.711 -4.425 13.429 192 1HE LYS 27 1HE LYS 27 13.339 -4.990 14.517 193 2HE LYS 27 2HE LYS 27 12.327 -4.367 15.806 194 1HZ LYS 27 1HZ LYS 27 11.773 -6.547 15.813 195 2HZ LYS 27 2HZ LYS 27 10.629 -6.010 14.779 196 3HZ LYS 27 3HZ LYS 27 11.963 -6.756 14.204 197 H PHE 28 H PHE 28 11.798 -0.966 9.478 198 HA PHE 28 HA PHE 28 12.452 -2.712 7.591 199 1HB PHE 28 1HB PHE 28 10.837 -0.705 7.541 200 2HB PHE 28 2HB PHE 28 12.211 0.333 7.215 201 HD1 PHE 28 1HD PHE 28 10.188 -2.440 5.843 202 HD2 PHE 28 2HD PHE 28 13.077 0.557 5.021 203 HE1 PHE 28 1HE PHE 28 9.909 -2.847 3.382 204 HE2 PHE 28 2HE PHE 28 12.799 0.150 2.560 205 HZ PHE 28 HZ PHE 28 11.218 -1.547 1.770 206 H GLN 29 H GLN 29 14.162 0.483 7.953 207 HA GLN 29 HA GLN 29 15.991 0.105 5.993 208 1HB GLN 29 1HB GLN 29 16.147 1.584 8.641 209 2HB GLN 29 2HB GLN 29 17.479 1.625 7.504 210 1HG GLN 29 1HG GLN 29 15.728 2.345 5.722 211 2HG GLN 29 2HG GLN 29 14.629 2.606 7.062 212 1HE2 GLN 29 1HE2 GLN 29 14.664 4.807 6.235 213 2HE2 GLN 29 2HE2 GLN 29 15.886 5.911 6.772 214 H SER 30 H SER 30 16.740 -0.366 9.527 215 HA SER 30 HA SER 30 19.113 -1.567 9.244 216 1HB SER 30 1HB SER 30 17.593 -0.993 11.359 217 2HB SER 30 2HB SER 30 17.184 -2.695 11.276 218 HG SER 30 HG SER 30 19.390 -1.580 12.344 219 H GLU 31 H GLU 31 15.893 -3.259 9.392 220 HA GLU 31 HA GLU 31 16.841 -5.796 9.070 221 1HB GLU 31 1HB GLU 31 14.223 -4.590 8.071 222 2HB GLU 31 2HB GLU 31 14.536 -6.310 8.191 223 1HG GLU 31 1HG GLU 31 15.187 -4.880 10.692 224 2HG GLU 31 2HG GLU 31 13.511 -4.668 10.225 225 H GLN 32 H GLN 32 16.409 -3.192 6.691 226 HA GLN 32 HA GLN 32 16.433 -4.788 4.420 227 1HB GLN 32 1HB GLN 32 15.974 -2.180 4.844 228 2HB GLN 32 2HB GLN 32 17.658 -2.037 4.381 229 1HG GLN 32 1HG GLN 32 17.223 -3.195 2.247 230 2HG GLN 32 2HG GLN 32 15.565 -3.514 2.718 231 1HE2 GLN 32 1HE2 GLN 32 16.977 -1.900 0.552 232 2HE2 GLN 32 2HE2 GLN 32 16.189 -0.358 0.552 233 H ALA 33 H ALA 33 19.116 -2.835 5.922 234 HA ALA 33 HA ALA 33 21.094 -3.953 4.259 235 1HB ALA 33 1HB ALA 33 22.335 -3.035 6.596 236 2HB ALA 33 2HB ALA 33 22.026 -2.091 5.119 237 3HB ALA 33 3HB ALA 33 20.861 -2.046 6.463 238 H ALA 34 H ALA 34 19.247 -5.276 6.811 239 HA ALA 34 HA ALA 34 21.269 -6.886 7.994 240 1HB ALA 34 1HB ALA 34 18.755 -6.113 8.688 241 2HB ALA 34 2HB ALA 34 18.421 -7.751 8.077 242 3HB ALA 34 3HB ALA 34 19.585 -7.516 9.402 243 H GLY 35 H GLY 35 19.231 -7.056 5.112 244 1HA GLY 35 1HA GLY 35 20.489 -8.743 3.580 245 2HA GLY 35 2HA GLY 35 19.861 -9.898 4.740 246 H SER 36 H SER 36 17.378 -8.243 5.263 247 HA SER 36 HA SER 36 16.015 -7.719 2.955 248 1HB SER 36 1HB SER 36 14.552 -9.755 2.758 249 2HB SER 36 2HB SER 36 16.218 -10.046 2.301 250 HG SER 36 HG SER 36 14.726 -11.139 4.390 251 H VAL 37 H VAL 37 14.238 -6.543 3.627 252 HA VAL 37 HA VAL 37 13.701 -6.309 6.373 253 HB VAL 37 HB VAL 37 12.298 -5.367 3.875 254 1HG1 VAL 37 1HG1 VAL 37 11.156 -5.562 6.454 255 2HG1 VAL 37 2HG1 VAL 37 11.573 -3.847 6.217 256 3HG1 VAL 37 3HG1 VAL 37 10.526 -4.680 5.042 257 1HG2 VAL 37 1HG2 VAL 37 13.981 -3.893 3.886 258 2HG2 VAL 37 2HG2 VAL 37 13.238 -3.192 5.344 259 3HG2 VAL 37 3HG2 VAL 37 14.523 -4.412 5.500 260 H SER 38 H SER 38 12.119 -7.198 7.687 261 HA SER 38 HA SER 38 11.137 -9.675 6.940 262 1HB SER 38 1HB SER 38 10.227 -7.821 9.186 263 2HB SER 38 2HB SER 38 9.816 -9.520 9.069 264 HG SER 38 HG SER 38 12.322 -8.297 9.677 265 H LYS 39 H LYS 39 8.905 -10.383 6.566 266 HA LYS 39 HA LYS 39 7.539 -9.013 4.677 267 1HB LYS 39 1HB LYS 39 7.079 -11.305 6.390 268 2HB LYS 39 2HB LYS 39 5.585 -10.429 6.130 269 1HG LYS 39 1HG LYS 39 5.651 -11.878 4.270 270 2HG LYS 39 2HG LYS 39 6.284 -10.386 3.604 271 1HD LYS 39 1HD LYS 39 8.504 -11.817 4.747 272 2HD LYS 39 2HD LYS 39 7.582 -12.964 3.795 273 1HE LYS 39 1HE LYS 39 8.674 -12.119 1.982 274 2HE LYS 39 2HE LYS 39 7.620 -10.727 2.131 275 1HZ LYS 39 1HZ LYS 39 10.319 -10.735 2.396 276 2HZ LYS 39 2HZ LYS 39 9.317 -9.504 2.787 277 3HZ LYS 39 3HZ LYS 39 9.787 -10.571 3.931 278 H SER 40 H SER 40 6.351 -9.217 8.107 279 HA SER 40 HA SER 40 4.473 -7.327 7.947 280 1HB SER 40 1HB SER 40 5.338 -6.819 10.461 281 2HB SER 40 2HB SER 40 4.459 -8.275 10.035 282 HG SER 40 HG SER 40 6.606 -8.451 11.266 283 H THR 41 H THR 41 7.884 -6.698 9.076 284 HA THR 41 HA THR 41 7.774 -3.992 9.311 285 HB THR 41 HB THR 41 10.046 -5.718 8.188 286 HG1 THR 41 1HG THR 41 10.421 -6.006 10.464 287 1HG2 THR 41 1HG2 THR 41 10.392 -3.166 8.138 288 2HG2 THR 41 2HG2 THR 41 10.169 -3.189 9.904 289 3HG2 THR 41 3HG2 THR 41 11.535 -4.060 9.168 290 H GLN 42 H GLN 42 7.797 -5.901 6.314 291 HA GLN 42 HA GLN 42 8.377 -3.650 4.704 292 1HB GLN 42 1HB GLN 42 8.822 -6.091 4.114 293 2HB GLN 42 2HB GLN 42 7.099 -6.284 3.859 294 1HG GLN 42 1HG GLN 42 7.083 -4.708 2.033 295 2HG GLN 42 2HG GLN 42 8.676 -4.102 2.438 296 1HE2 GLN 42 1HE2 GLN 42 7.434 -5.414 0.022 297 2HE2 GLN 42 2HE2 GLN 42 8.517 -6.689 -0.427 298 H PHE 43 H PHE 43 5.386 -5.599 5.385 299 HA PHE 43 HA PHE 43 3.655 -4.120 3.836 300 1HB PHE 43 1HB PHE 43 2.928 -6.205 4.812 301 2HB PHE 43 2HB PHE 43 3.523 -5.765 6.401 302 HD1 PHE 43 1HD PHE 43 0.840 -5.081 3.944 303 HD2 PHE 43 2HD PHE 43 2.114 -4.709 7.974 304 HE1 PHE 43 1HE PHE 43 -1.467 -4.351 4.605 305 HE2 PHE 43 2HE PHE 43 -0.195 -3.978 8.636 306 HZ PHE 43 HZ PHE 43 -1.958 -3.808 6.944 307 H GLU 44 H GLU 44 3.861 -3.908 7.462 308 HA GLU 44 HA GLU 44 2.363 -1.792 7.886 309 1HB GLU 44 1HB GLU 44 5.059 -2.437 9.143 310 2HB GLU 44 2HB GLU 44 4.005 -1.187 9.775 311 1HG GLU 44 1HG GLU 44 3.067 -2.866 11.006 312 2HG GLU 44 2HG GLU 44 2.225 -3.283 9.527 313 H TYR 45 H TYR 45 5.933 -1.174 7.818 314 HA TYR 45 HA TYR 45 6.006 1.439 7.478 315 1HB TYR 45 1HB TYR 45 7.954 -0.147 7.449 316 2HB TYR 45 2HB TYR 45 7.460 -0.760 5.884 317 HD1 TYR 45 1HD TYR 45 9.041 -0.180 4.288 318 HD2 TYR 45 2HD TYR 45 7.904 2.728 7.213 319 HE1 TYR 45 1HE TYR 45 10.518 1.550 3.153 320 HE2 TYR 45 2HE TYR 45 9.384 4.449 6.068 321 HH TYR 45 HH TYR 45 10.361 4.304 3.117 322 H ALA 46 H ALA 46 5.571 -0.856 4.690 323 HA ALA 46 HA ALA 46 5.358 1.089 2.732 324 1HB ALA 46 1HB ALA 46 5.632 -1.439 2.508 325 2HB ALA 46 2HB ALA 46 3.878 -1.563 2.782 326 3HB ALA 46 3HB ALA 46 4.498 -0.679 1.367 327 H TRP 47 H TRP 47 2.640 -0.734 4.328 328 HA TRP 47 HA TRP 47 0.588 0.750 3.291 329 1HB TRP 47 1HB TRP 47 0.094 -1.253 4.410 330 2HB TRP 47 2HB TRP 47 0.906 -0.749 5.879 331 HD1 TRP 47 HD TRP 47 -0.864 -0.245 7.720 332 HE1 TRP 47 1HE TRP 47 -3.275 0.806 7.926 333 HE3 TRP 47 3HE TRP 47 -1.446 0.699 2.758 334 HZ2 TRP 47 2HZ TRP 47 -5.115 1.892 6.033 335 HZ3 TRP 47 3HZ TRP 47 -3.580 1.756 2.020 336 HH2 TRP 47 HH TRP 47 -5.378 2.349 3.566 337 H CYS 48 H CYS 48 2.960 1.521 5.814 338 HA CYS 48 HA CYS 48 1.514 3.631 6.980 339 1HB CYS 48 1HB CYS 48 4.176 2.450 7.225 340 2HB CYS 48 2HB CYS 48 4.223 4.195 7.368 341 HG CYS 48 HG CYS 48 2.267 2.042 8.954 342 H LEU 49 H LEU 49 3.817 3.285 4.240 343 HA LEU 49 HA LEU 49 4.216 6.022 3.800 344 1HB LEU 49 1HB LEU 49 4.593 3.507 2.239 345 2HB LEU 49 2HB LEU 49 4.681 5.038 1.393 346 HG LEU 49 HG LEU 49 6.359 4.372 3.823 347 1HD1 LEU 49 1HD1 LEU 49 6.577 3.233 1.267 348 2HD1 LEU 49 2HD1 LEU 49 7.844 4.480 1.349 349 3HD1 LEU 49 3HD1 LEU 49 7.776 3.199 2.582 350 1HD2 LEU 49 1HD2 LEU 49 5.993 6.779 3.367 351 2HD2 LEU 49 2HD2 LEU 49 7.694 6.282 3.196 352 3HD2 LEU 49 3HD2 LEU 49 6.695 6.552 1.747 353 H VAL 50 H VAL 50 2.122 3.689 1.952 354 HA VAL 50 HA VAL 50 0.830 5.507 0.400 355 HB VAL 50 HB VAL 50 -1.073 3.844 0.473 356 1HG1 VAL 50 1HG1 VAL 50 1.715 2.739 -0.013 357 2HG1 VAL 50 2HG1 VAL 50 0.196 2.106 -0.691 358 3HG1 VAL 50 3HG1 VAL 50 0.772 3.724 -1.158 359 1HG2 VAL 50 1HG2 VAL 50 -1.136 2.779 2.496 360 2HG2 VAL 50 2HG2 VAL 50 -0.146 1.605 1.597 361 3HG2 VAL 50 3HG2 VAL 50 0.634 2.780 2.683 362 H ARG 51 H ARG 51 0.514 4.949 3.877 363 HA ARG 51 HA ARG 51 -1.971 6.284 4.055 364 1HB ARG 51 1HB ARG 51 0.008 5.053 5.925 365 2HB ARG 51 2HB ARG 51 -0.914 6.375 6.612 366 1HG ARG 51 1HG ARG 51 -3.037 5.271 6.011 367 2HG ARG 51 2HG ARG 51 -2.177 3.998 5.168 368 1HD ARG 51 1HD ARG 51 -2.823 3.188 7.394 369 2HD ARG 51 2HD ARG 51 -1.078 3.324 7.322 370 HE ARG 51 HE ARG 51 -1.842 5.795 8.298 371 1HH1 ARG 51 1HH1 ARG 51 -2.537 2.486 9.272 372 2HH1 ARG 51 2HH1 ARG 51 -2.729 2.883 10.947 373 1HH2 ARG 51 1HH2 ARG 51 -2.094 6.320 10.508 374 2HH2 ARG 51 2HH2 ARG 51 -2.476 5.079 11.654 375 H SER 52 H SER 52 1.498 7.121 4.338 376 HA SER 52 HA SER 52 1.466 9.429 5.669 377 1HB SER 52 1HB SER 52 3.393 8.200 4.411 378 2HB SER 52 2HB SER 52 2.960 9.193 3.033 379 HG SER 52 HG SER 52 3.190 10.696 5.367 380 H LYS 53 H LYS 53 1.700 11.769 4.706 381 HA LYS 53 HA LYS 53 -0.692 12.235 3.148 382 1HB LYS 53 1HB LYS 53 -0.253 14.614 3.730 383 2HB LYS 53 2HB LYS 53 -0.436 13.565 5.120 384 1HG LYS 53 1HG LYS 53 1.618 14.157 5.869 385 2HG LYS 53 2HG LYS 53 2.352 13.545 4.400 386 1HD LYS 53 1HD LYS 53 2.660 15.640 3.554 387 2HD LYS 53 2HD LYS 53 1.017 16.122 3.929 388 1HE LYS 53 1HE LYS 53 2.055 16.065 6.460 389 2HE LYS 53 2HE LYS 53 3.512 16.444 5.561 390 1HZ LYS 53 1HZ LYS 53 0.993 17.947 5.549 391 2HZ LYS 53 2HZ LYS 53 2.453 18.454 6.079 392 3HZ LYS 53 3HZ LYS 53 2.196 18.230 4.481 393 H TYR 54 H TYR 54 2.752 11.940 2.715 394 HA TYR 54 HA TYR 54 2.858 13.607 0.380 395 1HB TYR 54 1HB TYR 54 4.585 11.679 1.986 396 2HB TYR 54 2HB TYR 54 5.109 12.047 0.355 397 HD1 TYR 54 1HD TYR 54 6.439 13.931 -0.037 398 HD2 TYR 54 2HD TYR 54 4.095 13.743 3.538 399 HE1 TYR 54 1HE TYR 54 7.541 16.061 0.806 400 HE2 TYR 54 2HE TYR 54 5.205 15.875 4.368 401 HH TYR 54 HH TYR 54 6.913 17.250 4.058 402 H ASN 55 H ASN 55 3.119 12.915 -1.802 403 HA ASN 55 HA ASN 55 1.709 10.492 -2.324 404 1HB ASN 55 1HB ASN 55 2.877 12.721 -4.046 405 2HB ASN 55 2HB ASN 55 2.259 11.260 -4.789 406 1HD2 ASN 55 1HD2 ASN 55 1.441 14.233 -4.468 407 2HD2 ASN 55 2HD2 ASN 55 -0.256 14.175 -4.131 408 H GLU 56 H GLU 56 5.000 11.925 -2.818 409 HA GLU 56 HA GLU 56 6.114 9.963 -4.331 410 1HB GLU 56 1HB GLU 56 7.061 12.104 -2.545 411 2HB GLU 56 2HB GLU 56 8.176 10.754 -2.603 412 1HG GLU 56 1HG GLU 56 8.066 10.852 -5.143 413 2HG GLU 56 2HG GLU 56 7.087 12.299 -5.002 414 H ASP 57 H ASP 57 5.257 9.941 -0.896 415 HA ASP 57 HA ASP 57 6.913 7.765 -0.233 416 1HB ASP 57 1HB ASP 57 4.582 9.207 1.038 417 2HB ASP 57 2HB ASP 57 5.048 7.652 1.699 418 H ILE 58 H ILE 58 3.476 8.262 -1.227 419 HA ILE 58 HA ILE 58 2.416 5.805 -0.731 420 HB ILE 58 HB ILE 58 1.960 7.734 -3.000 421 1HG1 ILE 58 1HG1 ILE 58 0.324 7.194 -0.507 422 2HG1 ILE 58 2HG1 ILE 58 1.513 8.474 -0.640 423 1HG2 ILE 58 1HG2 ILE 58 0.059 6.565 -3.693 424 2HG2 ILE 58 2HG2 ILE 58 1.298 5.302 -3.490 425 3HG2 ILE 58 3HG2 ILE 58 0.047 5.531 -2.243 426 1HD1 ILE 58 1HD1 ILE 58 -1.219 8.479 -1.548 427 2HD1 ILE 58 2HD1 ILE 58 -0.028 9.799 -1.628 428 3HD1 ILE 58 3HD1 ILE 58 -0.160 8.637 -2.969 429 H ARG 59 H ARG 59 4.239 6.838 -3.695 430 HA ARG 59 HA ARG 59 4.071 4.463 -5.004 431 1HB ARG 59 1HB ARG 59 5.077 6.741 -5.762 432 2HB ARG 59 2HB ARG 59 6.572 6.213 -5.015 433 1HG ARG 59 1HG ARG 59 6.503 4.130 -6.455 434 2HG ARG 59 2HG ARG 59 5.076 4.764 -7.251 435 1HD ARG 59 1HD ARG 59 6.875 6.910 -7.398 436 2HD ARG 59 2HD ARG 59 7.915 5.516 -7.612 437 HE ARG 59 HE ARG 59 5.940 6.496 -9.499 438 1HH1 ARG 59 1HH1 ARG 59 7.508 3.561 -8.352 439 2HH1 ARG 59 2HH1 ARG 59 7.266 2.700 -9.835 440 1HH2 ARG 59 1HH2 ARG 59 5.621 5.360 -11.456 441 2HH2 ARG 59 2HH2 ARG 59 6.186 3.730 -11.613 442 H ARG 60 H ARG 60 6.481 5.589 -2.551 443 HA ARG 60 HA ARG 60 8.063 3.291 -2.767 444 1HB ARG 60 1HB ARG 60 7.819 5.577 -0.794 445 2HB ARG 60 2HB ARG 60 8.788 4.187 -0.346 446 1HG ARG 60 1HG ARG 60 10.502 4.987 -1.592 447 2HG ARG 60 2HG ARG 60 9.520 4.827 -3.036 448 1HD ARG 60 1HD ARG 60 8.940 7.077 -3.068 449 2HD ARG 60 2HD ARG 60 8.935 7.218 -1.321 450 HE ARG 60 HE ARG 60 11.609 6.785 -1.912 451 1HH1 ARG 60 1HH1 ARG 60 9.207 9.105 -3.021 452 2HH1 ARG 60 2HH1 ARG 60 10.368 10.352 -3.330 453 1HH2 ARG 60 1HH2 ARG 60 13.141 8.430 -2.320 454 2HH2 ARG 60 2HH2 ARG 60 12.621 9.966 -2.929 455 H GLY 61 H GLY 61 4.923 3.673 -1.650 456 1HA GLY 61 1HA GLY 61 5.190 1.730 0.545 457 2HA GLY 61 2HA GLY 61 3.815 2.768 0.224 458 H ILE 62 H ILE 62 3.980 2.209 -2.772 459 HA ILE 62 HA ILE 62 2.269 -0.062 -2.729 460 HB ILE 62 HB ILE 62 3.419 1.577 -4.990 461 1HG1 ILE 62 1HG1 ILE 62 0.655 1.662 -3.749 462 2HG1 ILE 62 2HG1 ILE 62 1.949 2.768 -3.336 463 1HG2 ILE 62 1HG2 ILE 62 1.505 -0.737 -4.957 464 2HG2 ILE 62 2HG2 ILE 62 1.336 0.550 -6.174 465 3HG2 ILE 62 3HG2 ILE 62 2.848 -0.383 -6.071 466 1HD1 ILE 62 1HD1 ILE 62 1.950 2.846 -6.130 467 2HD1 ILE 62 2HD1 ILE 62 0.223 2.721 -5.721 468 3HD1 ILE 62 3HD1 ILE 62 1.201 4.052 -5.057 469 H VAL 63 H VAL 63 5.450 0.601 -4.369 470 HA VAL 63 HA VAL 63 6.020 -1.758 -5.426 471 HB VAL 63 HB VAL 63 7.672 -0.218 -5.685 472 1HG1 VAL 63 1HG1 VAL 63 8.689 0.646 -3.237 473 2HG1 VAL 63 2HG1 VAL 63 7.603 1.552 -4.317 474 3HG1 VAL 63 3HG1 VAL 63 6.929 0.587 -2.981 475 1HG2 VAL 63 1HG2 VAL 63 9.737 -0.986 -4.577 476 2HG2 VAL 63 2HG2 VAL 63 8.763 -1.923 -3.420 477 3HG2 VAL 63 3HG2 VAL 63 8.745 -2.349 -5.148 478 H LEU 64 H LEU 64 6.843 -1.018 -1.958 479 HA LEU 64 HA LEU 64 7.644 -3.503 -1.221 480 1HB LEU 64 1HB LEU 64 5.934 -1.886 0.625 481 2HB LEU 64 2HB LEU 64 7.379 -2.815 0.969 482 HG LEU 64 HG LEU 64 7.148 -0.078 -0.263 483 1HD1 LEU 64 1HD1 LEU 64 8.052 -1.223 2.279 484 2HD1 LEU 64 2HD1 LEU 64 9.202 -0.067 1.563 485 3HD1 LEU 64 3HD1 LEU 64 7.522 0.429 1.880 486 1HD2 LEU 64 1HD2 LEU 64 8.742 -0.679 -1.734 487 2HD2 LEU 64 2HD2 LEU 64 9.824 -0.505 -0.331 488 3HD2 LEU 64 3HD2 LEU 64 9.222 -2.115 -0.797 489 H LEU 65 H LEU 65 4.261 -2.251 -0.733 490 HA LEU 65 HA LEU 65 3.156 -4.654 -0.011 491 1HB LEU 65 1HB LEU 65 1.834 -2.442 -1.588 492 2HB LEU 65 2HB LEU 65 1.026 -3.669 -0.631 493 HG LEU 65 HG LEU 65 2.994 -1.763 0.632 494 1HD1 LEU 65 1HD1 LEU 65 0.026 -1.223 0.482 495 2HD1 LEU 65 2HD1 LEU 65 1.329 -0.153 1.055 496 3HD1 LEU 65 3HD1 LEU 65 1.189 -0.535 -0.678 497 1HD2 LEU 65 1HD2 LEU 65 0.620 -3.282 1.750 498 2HD2 LEU 65 2HD2 LEU 65 2.331 -3.745 1.916 499 3HD2 LEU 65 3HD2 LEU 65 1.738 -2.243 2.665 500 H GLU 66 H GLU 66 3.982 -3.388 -3.248 501 HA GLU 66 HA GLU 66 2.539 -5.348 -4.635 502 1HB GLU 66 1HB GLU 66 4.628 -3.300 -5.292 503 2HB GLU 66 2HB GLU 66 4.435 -4.614 -6.436 504 1HG GLU 66 1HG GLU 66 1.896 -4.118 -6.368 505 2HG GLU 66 2HG GLU 66 2.299 -2.649 -5.501 506 H GLU 67 H GLU 67 5.438 -5.448 -2.768 507 HA GLU 67 HA GLU 67 6.479 -7.684 -4.269 508 1HB GLU 67 1HB GLU 67 7.530 -5.915 -2.058 509 2HB GLU 67 2HB GLU 67 8.257 -7.493 -2.295 510 1HG GLU 67 1HG GLU 67 8.215 -6.640 -4.887 511 2HG GLU 67 2HG GLU 67 8.312 -5.086 -4.083 512 H LEU 68 H LEU 68 4.699 -6.884 -1.317 513 HA LEU 68 HA LEU 68 5.138 -9.458 -0.124 514 1HB LEU 68 1HB LEU 68 3.250 -7.207 0.582 515 2HB LEU 68 2HB LEU 68 3.516 -8.645 1.547 516 HG LEU 68 HG LEU 68 5.807 -6.819 0.833 517 1HD1 LEU 68 1HD1 LEU 68 5.148 -5.186 2.185 518 2HD1 LEU 68 2HD1 LEU 68 3.554 -5.974 2.270 519 3HD1 LEU 68 3HD1 LEU 68 4.791 -6.335 3.497 520 1HD2 LEU 68 1HD2 LEU 68 5.769 -9.264 2.036 521 2HD2 LEU 68 2HD2 LEU 68 7.029 -8.030 2.274 522 3HD2 LEU 68 3HD2 LEU 68 5.697 -8.178 3.446 523 H LEU 69 H LEU 69 3.006 -8.031 -2.495 524 HA LEU 69 HA LEU 69 0.676 -9.370 -2.202 525 1HB LEU 69 1HB LEU 69 2.161 -8.120 -4.348 526 2HB LEU 69 2HB LEU 69 1.253 -9.495 -4.941 527 HG LEU 69 HG LEU 69 -0.087 -7.537 -5.208 528 1HD1 LEU 69 1HD1 LEU 69 -1.586 -8.440 -2.878 529 2HD1 LEU 69 2HD1 LEU 69 -1.968 -8.568 -4.611 530 3HD1 LEU 69 3HD1 LEU 69 -0.935 -9.792 -3.834 531 1HD2 LEU 69 1HD2 LEU 69 0.455 -6.997 -2.280 532 2HD2 LEU 69 2HD2 LEU 69 0.928 -6.008 -3.682 533 3HD2 LEU 69 3HD2 LEU 69 -0.789 -6.157 -3.235 534 HA PRO 70 HA PRO 70 2.447 -13.236 -4.203 535 1HB PRO 70 1HB PRO 70 5.028 -13.330 -5.097 536 2HB PRO 70 2HB PRO 70 3.670 -12.931 -6.130 537 1HG PRO 70 1HG PRO 70 5.724 -11.135 -4.992 538 2HG PRO 70 2HG PRO 70 4.638 -10.847 -6.337 539 1HD PRO 70 1HD PRO 70 4.388 -9.806 -3.675 540 2HD PRO 70 2HD PRO 70 3.243 -9.614 -4.988 541 H LYS 71 H LYS 71 4.584 -11.481 -2.145 542 HA LYS 71 HA LYS 71 5.485 -13.961 -0.929 543 1HB LYS 71 1HB LYS 71 6.234 -11.094 -0.286 544 2HB LYS 71 2HB LYS 71 7.013 -12.538 0.326 545 1HG LYS 71 1HG LYS 71 7.643 -13.194 -2.003 546 2HG LYS 71 2HG LYS 71 6.849 -11.761 -2.625 547 1HD LYS 71 1HD LYS 71 8.415 -10.401 -1.063 548 2HD LYS 71 2HD LYS 71 9.316 -11.888 -0.842 549 1HE LYS 71 1HE LYS 71 9.785 -12.042 -3.242 550 2HE LYS 71 2HE LYS 71 8.707 -10.705 -3.591 551 1HZ LYS 71 1HZ LYS 71 10.690 -9.652 -3.494 552 2HZ LYS 71 2HZ LYS 71 10.272 -9.500 -1.924 553 3HZ LYS 71 3HZ LYS 71 11.337 -10.651 -2.377 554 H GLY 72 H GLY 72 2.650 -13.399 -0.832 555 1HA GLY 72 1HA GLY 72 2.350 -13.325 2.081 556 2HA GLY 72 2HA GLY 72 1.450 -12.156 1.134 557 H SER 73 H SER 73 0.030 -13.967 2.678 558 HA SER 73 HA SER 73 -0.587 -16.296 1.224 559 1HB SER 73 1HB SER 73 -2.268 -14.943 3.375 560 2HB SER 73 2HB SER 73 -2.329 -16.630 2.904 561 HG SER 73 HG SER 73 -0.337 -15.240 4.416 562 H LYS 74 H LYS 74 -3.207 -16.639 0.869 563 HA LYS 74 HA LYS 74 -3.819 -14.891 -1.282 564 1HB LYS 74 1HB LYS 74 -4.407 -17.475 -0.692 565 2HB LYS 74 2HB LYS 74 -5.910 -16.708 -0.221 566 1HG LYS 74 1HG LYS 74 -6.246 -17.164 -2.518 567 2HG LYS 74 2HG LYS 74 -5.793 -15.471 -2.516 568 1HD LYS 74 1HD LYS 74 -3.587 -15.923 -3.292 569 2HD LYS 74 2HD LYS 74 -3.657 -17.606 -2.807 570 1HE LYS 74 1HE LYS 74 -5.808 -17.058 -4.694 571 2HE LYS 74 2HE LYS 74 -4.288 -16.503 -5.369 572 1HZ LYS 74 1HZ LYS 74 -4.877 -19.196 -4.359 573 2HZ LYS 74 2HZ LYS 74 -4.553 -18.766 -5.902 574 3HZ LYS 74 3HZ LYS 74 -3.375 -18.703 -4.771 575 H GLU 75 H GLU 75 -5.169 -15.438 2.031 576 HA GLU 75 HA GLU 75 -7.080 -13.389 1.692 577 1HB GLU 75 1HB GLU 75 -7.533 -13.751 4.104 578 2HB GLU 75 2HB GLU 75 -7.474 -15.266 3.226 579 1HG GLU 75 1HG GLU 75 -4.859 -15.116 3.930 580 2HG GLU 75 2HG GLU 75 -5.529 -14.152 5.231 581 H GLU 76 H GLU 76 -3.737 -13.296 2.006 582 HA GLU 76 HA GLU 76 -3.696 -11.004 3.744 583 1HB GLU 76 1HB GLU 76 -1.646 -12.816 2.501 584 2HB GLU 76 2HB GLU 76 -1.133 -11.194 2.921 585 1HG GLU 76 1HG GLU 76 -2.604 -12.013 5.172 586 2HG GLU 76 2HG GLU 76 -1.765 -13.473 4.686 587 H GLN 77 H GLN 77 -3.424 -11.864 0.287 588 HA GLN 77 HA GLN 77 -2.394 -9.442 -0.580 589 1HB GLN 77 1HB GLN 77 -4.062 -11.590 -1.936 590 2HB GLN 77 2HB GLN 77 -3.510 -10.172 -2.808 591 1HG GLN 77 1HG GLN 77 -1.134 -10.730 -2.085 592 2HG GLN 77 2HG GLN 77 -1.743 -12.214 -1.379 593 1HE2 GLN 77 1HE2 GLN 77 -0.160 -13.110 -2.909 594 2HE2 GLN 77 2HE2 GLN 77 -0.662 -13.481 -4.526 595 H ARG 78 H ARG 78 -5.642 -10.457 0.389 596 HA ARG 78 HA ARG 78 -7.107 -8.571 -0.956 597 1HB ARG 78 1HB ARG 78 -7.474 -10.088 1.641 598 2HB ARG 78 2HB ARG 78 -8.631 -8.838 1.230 599 1HG ARG 78 1HG ARG 78 -9.649 -10.648 0.189 600 2HG ARG 78 2HG ARG 78 -8.659 -10.079 -1.140 601 1HD ARG 78 1HD ARG 78 -7.565 -12.067 -1.195 602 2HD ARG 78 2HD ARG 78 -7.013 -11.825 0.450 603 HE ARG 78 HE ARG 78 -9.588 -12.669 0.855 604 1HH1 ARG 78 1HH1 ARG 78 -6.980 -13.944 -1.134 605 2HH1 ARG 78 2HH1 ARG 78 -7.521 -15.585 -1.014 606 1HH2 ARG 78 1HH2 ARG 78 -10.301 -14.835 1.014 607 2HH2 ARG 78 2HH2 ARG 78 -9.422 -16.096 0.216 608 H ASP 79 H ASP 79 -5.197 -8.396 2.069 609 HA ASP 79 HA ASP 79 -6.232 -5.842 2.754 610 1HB ASP 79 1HB ASP 79 -4.556 -7.881 3.945 611 2HB ASP 79 2HB ASP 79 -3.700 -6.354 4.030 612 H TYR 80 H TYR 80 -3.708 -7.194 0.725 613 HA TYR 80 HA TYR 80 -2.007 -4.880 0.783 614 1HB TYR 80 1HB TYR 80 -2.327 -7.417 -0.932 615 2HB TYR 80 2HB TYR 80 -1.036 -6.266 -1.218 616 HD1 TYR 80 1HD TYR 80 -0.455 -9.098 -0.666 617 HD2 TYR 80 2HD TYR 80 -1.008 -5.835 2.045 618 HE1 TYR 80 1HE TYR 80 0.987 -10.281 1.063 619 HE2 TYR 80 2HE TYR 80 0.435 -7.029 3.765 620 HH TYR 80 HH TYR 80 1.962 -8.663 4.006 621 H VAL 81 H VAL 81 -3.632 -6.510 -2.024 622 HA VAL 81 HA VAL 81 -3.492 -4.658 -3.876 623 HB VAL 81 HB VAL 81 -5.980 -6.185 -3.089 624 1HG1 VAL 81 1HG1 VAL 81 -5.300 -4.591 -5.556 625 2HG1 VAL 81 2HG1 VAL 81 -6.398 -5.990 -5.646 626 3HG1 VAL 81 3HG1 VAL 81 -6.801 -4.608 -4.600 627 1HG2 VAL 81 1HG2 VAL 81 -4.770 -7.975 -3.659 628 2HG2 VAL 81 2HG2 VAL 81 -4.780 -7.358 -5.329 629 3HG2 VAL 81 3HG2 VAL 81 -3.426 -6.964 -4.241 630 H PHE 82 H PHE 82 -6.116 -4.595 -1.356 631 HA PHE 82 HA PHE 82 -7.376 -2.333 -2.009 632 1HB PHE 82 1HB PHE 82 -7.963 -3.688 -0.050 633 2HB PHE 82 2HB PHE 82 -6.380 -3.453 0.666 634 HD1 PHE 82 1HD PHE 82 -8.458 -0.775 -0.817 635 HD2 PHE 82 2HD PHE 82 -7.048 -2.577 2.758 636 HE1 PHE 82 1HE PHE 82 -9.347 1.162 0.510 637 HE2 PHE 82 2HE PHE 82 -7.937 -0.641 4.085 638 HZ PHE 82 HZ PHE 82 -9.076 1.205 2.945 639 H TYR 83 H TYR 83 -4.420 -2.445 0.113 640 HA TYR 83 HA TYR 83 -4.188 0.344 0.301 641 1HB TYR 83 1HB TYR 83 -2.263 -2.052 0.485 642 2HB TYR 83 2HB TYR 83 -1.772 -0.433 0.943 643 HD1 TYR 83 1HD TYR 83 -1.394 -2.315 2.980 644 HD2 TYR 83 2HD TYR 83 -5.059 -0.405 1.874 645 HE1 TYR 83 1HE TYR 83 -2.308 -2.698 5.321 646 HE2 TYR 83 2HE TYR 83 -5.960 -0.794 4.219 647 HH TYR 83 HH TYR 83 -5.630 -2.172 6.067 648 H LEU 84 H LEU 84 -3.163 -2.014 -2.152 649 HA LEU 84 HA LEU 84 -1.211 -0.354 -3.346 650 1HB LEU 84 1HB LEU 84 -2.613 -2.893 -3.985 651 2HB LEU 84 2HB LEU 84 -1.903 -2.018 -5.327 652 HG LEU 84 HG LEU 84 0.279 -2.004 -4.020 653 1HD1 LEU 84 1HD1 LEU 84 -1.411 -3.673 -2.202 654 2HD1 LEU 84 2HD1 LEU 84 0.308 -4.087 -2.402 655 3HD1 LEU 84 3HD1 LEU 84 -0.155 -2.471 -1.821 656 1HD2 LEU 84 1HD2 LEU 84 -0.088 -3.459 -5.936 657 2HD2 LEU 84 2HD2 LEU 84 0.858 -4.297 -4.683 658 3HD2 LEU 84 3HD2 LEU 84 -0.869 -4.670 -4.892 659 H ALA 85 H ALA 85 -4.747 -0.671 -3.584 660 HA ALA 85 HA ALA 85 -4.850 0.979 -5.948 661 1HB ALA 85 1HB ALA 85 -7.070 -0.009 -4.112 662 2HB ALA 85 2HB ALA 85 -7.254 0.638 -5.760 663 3HB ALA 85 3HB ALA 85 -6.427 -0.916 -5.502 664 H VAL 86 H VAL 86 -6.037 1.229 -2.515 665 HA VAL 86 HA VAL 86 -6.903 3.791 -2.554 666 HB VAL 86 HB VAL 86 -6.913 2.050 -0.701 667 1HG1 VAL 86 1HG1 VAL 86 -4.375 3.399 0.230 668 2HG1 VAL 86 2HG1 VAL 86 -5.154 1.924 0.851 669 3HG1 VAL 86 3HG1 VAL 86 -4.340 1.903 -0.732 670 1HG2 VAL 86 1HG2 VAL 86 -6.712 3.959 1.099 671 2HG2 VAL 86 2HG2 VAL 86 -6.540 5.007 -0.329 672 3HG2 VAL 86 3HG2 VAL 86 -8.000 4.007 -0.128 673 H GLY 87 H GLY 87 -3.505 2.623 -2.243 674 1HA GLY 87 1HA GLY 87 -2.386 5.206 -1.854 675 2HA GLY 87 2HA GLY 87 -1.543 3.733 -2.292 676 H ASN 88 H ASN 88 -2.688 2.996 -4.725 677 HA ASN 88 HA ASN 88 -1.330 4.590 -6.478 678 1HB ASN 88 1HB ASN 88 -3.379 2.414 -6.661 679 2HB ASN 88 2HB ASN 88 -3.260 3.424 -8.088 680 1HD2 ASN 88 1HD2 ASN 88 -2.352 0.608 -7.079 681 2HD2 ASN 88 2HD2 ASN 88 -0.749 0.439 -7.710 682 H TYR 89 H TYR 89 -4.867 4.425 -5.656 683 HA TYR 89 HA TYR 89 -5.870 6.204 -7.470 684 1HB TYR 89 1HB TYR 89 -7.364 5.025 -5.992 685 2HB TYR 89 2HB TYR 89 -6.392 5.388 -4.580 686 HD1 TYR 89 1HD TYR 89 -8.954 6.690 -6.891 687 HD2 TYR 89 2HD TYR 89 -6.689 7.458 -3.343 688 HE1 TYR 89 1HE TYR 89 -10.514 8.609 -6.301 689 HE2 TYR 89 2HE TYR 89 -8.258 9.373 -2.765 690 HH TYR 89 HH TYR 89 -10.598 10.534 -5.035 691 H ARG 90 H ARG 90 -4.389 6.910 -4.239 692 HA ARG 90 HA ARG 90 -4.928 9.561 -4.160 693 1HB ARG 90 1HB ARG 90 -3.420 7.762 -2.660 694 2HB ARG 90 2HB ARG 90 -2.183 8.858 -3.245 695 1HG ARG 90 1HG ARG 90 -4.707 10.084 -2.151 696 2HG ARG 90 2HG ARG 90 -3.604 9.356 -1.000 697 1HD ARG 90 1HD ARG 90 -2.001 10.985 -1.298 698 2HD ARG 90 2HD ARG 90 -2.270 11.083 -3.027 699 HE ARG 90 HE ARG 90 -3.883 12.765 -2.680 700 1HH1 ARG 90 1HH1 ARG 90 -3.045 11.256 0.386 701 2HH1 ARG 90 2HH1 ARG 90 -3.874 12.438 1.341 702 1HH2 ARG 90 1HH2 ARG 90 -4.978 14.325 -1.421 703 2HH2 ARG 90 2HH2 ARG 90 -4.983 14.195 0.307 704 H LEU 91 H LEU 91 -2.447 7.786 -6.020 705 HA LEU 91 HA LEU 91 -1.169 10.254 -6.840 706 1HB LEU 91 1HB LEU 91 -0.565 7.457 -7.780 707 2HB LEU 91 2HB LEU 91 0.464 8.873 -7.862 708 HG LEU 91 HG LEU 91 -0.420 7.798 -5.193 709 1HD1 LEU 91 1HD1 LEU 91 1.897 6.766 -6.850 710 2HD1 LEU 91 2HD1 LEU 91 1.640 6.426 -5.122 711 3HD1 LEU 91 3HD1 LEU 91 0.461 5.855 -6.326 712 1HD2 LEU 91 1HD2 LEU 91 1.690 9.647 -6.218 713 2HD2 LEU 91 2HD2 LEU 91 0.637 9.782 -4.790 714 3HD2 LEU 91 3HD2 LEU 91 2.036 8.684 -4.762 715 H LYS 92 H LYS 92 -4.068 9.022 -7.521 716 HA LYS 92 HA LYS 92 -5.477 9.267 -9.204 717 1HB LYS 92 1HB LYS 92 -3.242 10.867 -10.488 718 2HB LYS 92 2HB LYS 92 -4.876 10.759 -11.114 719 1HG LYS 92 1HG LYS 92 -5.136 11.398 -8.340 720 2HG LYS 92 2HG LYS 92 -3.854 12.424 -8.953 721 1HD LYS 92 1HD LYS 92 -5.673 12.672 -10.993 722 2HD LYS 92 2HD LYS 92 -6.764 12.396 -9.651 723 1HE LYS 92 1HE LYS 92 -5.992 14.326 -8.464 724 2HE LYS 92 2HE LYS 92 -4.524 14.435 -9.413 725 1HZ LYS 92 1HZ LYS 92 -5.745 15.150 -11.265 726 2HZ LYS 92 2HZ LYS 92 -7.186 14.773 -10.596 727 3HZ LYS 92 3HZ LYS 92 -6.316 16.022 -10.008 728 H GLU 93 H GLU 93 -3.870 6.901 -8.897 729 HA GLU 93 HA GLU 93 -3.427 6.175 -11.682 730 1HB GLU 93 1HB GLU 93 -2.365 5.076 -9.061 731 2HB GLU 93 2HB GLU 93 -2.294 4.115 -10.524 732 1HG GLU 93 1HG GLU 93 -1.307 6.957 -10.687 733 2HG GLU 93 2HG GLU 93 -0.310 5.807 -9.820 734 H TYR 94 H TYR 94 -5.864 6.104 -11.889 735 HA TYR 94 HA TYR 94 -7.326 4.188 -10.403 736 1HB TYR 94 1HB TYR 94 -7.874 5.266 -13.224 737 2HB TYR 94 2HB TYR 94 -9.066 4.860 -12.006 738 HD1 TYR 94 1HD TYR 94 -7.617 6.299 -9.671 739 HD2 TYR 94 2HD TYR 94 -8.626 7.501 -13.651 740 HE1 TYR 94 1HE TYR 94 -7.681 8.730 -8.929 741 HE2 TYR 94 2HE TYR 94 -8.687 9.927 -12.895 742 HH TYR 94 HH TYR 94 -7.743 11.291 -11.149 743 H GLU 95 H GLU 95 -6.033 4.238 -13.800 744 HA GLU 95 HA GLU 95 -6.934 1.949 -14.742 745 1HB GLU 95 1HB GLU 95 -4.131 3.109 -14.941 746 2HB GLU 95 2HB GLU 95 -4.610 1.703 -15.871 747 1HG GLU 95 1HG GLU 95 -6.524 3.991 -15.985 748 2HG GLU 95 2HG GLU 95 -4.958 4.307 -16.703 749 H LYS 96 H LYS 96 -4.326 2.296 -12.292 750 HA LYS 96 HA LYS 96 -3.968 -0.579 -12.214 751 1HB LYS 96 1HB LYS 96 -2.591 1.758 -10.880 752 2HB LYS 96 2HB LYS 96 -2.279 0.101 -10.400 753 1HG LYS 96 1HG LYS 96 -0.657 0.291 -12.041 754 2HG LYS 96 2HG LYS 96 -1.983 -0.248 -13.052 755 1HD LYS 96 1HD LYS 96 -1.956 1.697 -14.220 756 2HD LYS 96 2HD LYS 96 -2.160 2.632 -12.752 757 1HE LYS 96 1HE LYS 96 -0.078 3.414 -13.492 758 2HE LYS 96 2HE LYS 96 0.418 2.149 -12.385 759 1HZ LYS 96 1HZ LYS 96 1.554 1.927 -14.451 760 2HZ LYS 96 2HZ LYS 96 0.544 0.654 -14.288 761 3HZ LYS 96 3HZ LYS 96 0.160 1.877 -15.299 762 H ALA 97 H ALA 97 -4.895 2.088 -9.923 763 HA ALA 97 HA ALA 97 -5.527 0.707 -7.733 764 1HB ALA 97 1HB ALA 97 -7.327 2.829 -8.965 765 2HB ALA 97 2HB ALA 97 -7.124 2.458 -7.236 766 3HB ALA 97 3HB ALA 97 -5.781 3.179 -8.156 767 H LEU 98 H LEU 98 -8.023 1.373 -10.298 768 HA LEU 98 HA LEU 98 -9.938 -0.316 -9.349 769 1HB LEU 98 1HB LEU 98 -9.267 0.948 -11.909 770 2HB LEU 98 2HB LEU 98 -10.219 -0.514 -12.073 771 HG LEU 98 HG LEU 98 -11.040 1.703 -10.196 772 1HD1 LEU 98 1HD1 LEU 98 -12.528 1.709 -12.675 773 2HD1 LEU 98 2HD1 LEU 98 -11.693 3.042 -11.842 774 3HD1 LEU 98 3HD1 LEU 98 -10.797 1.999 -12.973 775 1HD2 LEU 98 1HD2 LEU 98 -12.755 -0.336 -11.624 776 2HD2 LEU 98 2HD2 LEU 98 -12.041 -0.611 -10.017 777 3HD2 LEU 98 3HD2 LEU 98 -13.195 0.722 -10.263 778 H LYS 99 H LYS 99 -7.539 -1.148 -11.957 779 HA LYS 99 HA LYS 99 -8.097 -3.733 -12.312 780 1HB LYS 99 1HB LYS 99 -6.320 -2.416 -13.453 781 2HB LYS 99 2HB LYS 99 -5.300 -2.593 -12.040 782 1HG LYS 99 1HG LYS 99 -6.362 -5.196 -12.846 783 2HG LYS 99 2HG LYS 99 -5.574 -4.419 -14.205 784 1HD LYS 99 1HD LYS 99 -3.624 -3.916 -12.522 785 2HD LYS 99 2HD LYS 99 -4.382 -5.119 -11.498 786 1HE LYS 99 1HE LYS 99 -4.357 -6.607 -13.705 787 2HE LYS 99 2HE LYS 99 -3.116 -5.485 -14.225 788 1HZ LYS 99 1HZ LYS 99 -2.382 -7.503 -12.955 789 2HZ LYS 99 2HZ LYS 99 -1.775 -6.076 -12.443 790 3HZ LYS 99 3HZ LYS 99 -2.982 -6.795 -11.611 791 H TYR 100 H TYR 100 -6.706 -2.261 -9.399 792 HA TYR 100 HA TYR 100 -6.179 -4.890 -8.266 793 1HB TYR 100 1HB TYR 100 -5.502 -1.995 -7.868 794 2HB TYR 100 2HB TYR 100 -5.773 -2.845 -6.359 795 HD1 TYR 100 1HD TYR 100 -4.676 -5.563 -7.165 796 HD2 TYR 100 2HD TYR 100 -3.171 -1.602 -7.758 797 HE1 TYR 100 1HE TYR 100 -2.303 -6.471 -7.254 798 HE2 TYR 100 2HE TYR 100 -0.803 -2.523 -7.846 799 HH TYR 100 HH TYR 100 0.443 -4.283 -7.816 800 H VAL 101 H VAL 101 -8.351 -2.045 -7.901 801 HA VAL 101 HA VAL 101 -9.572 -2.995 -5.535 802 HB VAL 101 HB VAL 101 -9.744 -0.750 -7.351 803 1HG1 VAL 101 1HG1 VAL 101 -12.375 -1.813 -6.267 804 2HG1 VAL 101 2HG1 VAL 101 -12.127 -0.209 -6.998 805 3HG1 VAL 101 3HG1 VAL 101 -11.914 -1.678 -7.980 806 1HG2 VAL 101 1HG2 VAL 101 -10.749 0.249 -5.156 807 2HG2 VAL 101 2HG2 VAL 101 -10.274 -1.311 -4.441 808 3HG2 VAL 101 3HG2 VAL 101 -9.044 -0.263 -5.189 809 H ARG 102 H ARG 102 -10.452 -3.111 -9.048 810 HA ARG 102 HA ARG 102 -12.871 -4.284 -8.789 811 1HB ARG 102 1HB ARG 102 -10.738 -4.828 -10.917 812 2HB ARG 102 2HB ARG 102 -12.432 -5.239 -11.094 813 1HG ARG 102 1HG ARG 102 -11.399 -2.407 -10.594 814 2HG ARG 102 2HG ARG 102 -11.798 -3.043 -12.177 815 1HD ARG 102 1HD ARG 102 -14.001 -3.532 -10.317 816 2HD ARG 102 2HD ARG 102 -13.576 -1.832 -10.314 817 HE ARG 102 HE ARG 102 -13.679 -2.808 -13.027 818 1HH1 ARG 102 1HH1 ARG 102 -15.764 -1.909 -10.339 819 2HH1 ARG 102 2HH1 ARG 102 -17.102 -1.484 -11.353 820 1HH2 ARG 102 1HH2 ARG 102 -15.444 -2.247 -14.365 821 2HH2 ARG 102 2HH2 ARG 102 -16.919 -1.677 -13.658 822 H GLY 103 H GLY 103 -9.623 -5.893 -9.072 823 1HA GLY 103 1HA GLY 103 -10.577 -8.540 -8.913 824 2HA GLY 103 2HA GLY 103 -8.942 -7.986 -8.612 825 H LEU 104 H LEU 104 -9.416 -6.170 -6.435 826 HA LEU 104 HA LEU 104 -9.474 -8.015 -4.311 827 1HB LEU 104 1HB LEU 104 -8.137 -5.997 -4.279 828 2HB LEU 104 2HB LEU 104 -9.573 -4.997 -4.369 829 HG LEU 104 HG LEU 104 -8.392 -5.304 -2.094 830 1HD1 LEU 104 1HD1 LEU 104 -11.050 -5.809 -1.280 831 2HD1 LEU 104 2HD1 LEU 104 -10.234 -4.240 -1.474 832 3HD1 LEU 104 3HD1 LEU 104 -11.142 -4.943 -2.833 833 1HD2 LEU 104 1HD2 LEU 104 -10.088 -7.780 -1.876 834 2HD2 LEU 104 2HD2 LEU 104 -8.397 -7.865 -2.425 835 3HD2 LEU 104 3HD2 LEU 104 -8.779 -7.208 -0.815 836 H LEU 105 H LEU 105 -11.926 -6.051 -5.948 837 HA LEU 105 HA LEU 105 -13.833 -6.447 -3.820 838 1HB LEU 105 1HB LEU 105 -13.798 -5.025 -6.454 839 2HB LEU 105 2HB LEU 105 -15.333 -5.399 -5.695 840 HG LEU 105 HG LEU 105 -13.135 -3.874 -4.280 841 1HD1 LEU 105 1HD1 LEU 105 -14.078 -2.845 -6.484 842 2HD1 LEU 105 2HD1 LEU 105 -15.522 -2.518 -5.495 843 3HD1 LEU 105 3HD1 LEU 105 -13.946 -1.844 -5.018 844 1HD2 LEU 105 1HD2 LEU 105 -15.795 -4.838 -3.547 845 2HD2 LEU 105 2HD2 LEU 105 -14.458 -4.257 -2.526 846 3HD2 LEU 105 3HD2 LEU 105 -15.583 -3.094 -3.267 847 H GLN 106 H GLN 106 -12.741 -8.034 -6.758 848 HA GLN 106 HA GLN 106 -15.076 -9.382 -7.381 849 1HB GLN 106 1HB GLN 106 -12.369 -9.316 -8.275 850 2HB GLN 106 2HB GLN 106 -12.723 -10.999 -7.935 851 1HG GLN 106 1HG GLN 106 -15.024 -9.900 -9.271 852 2HG GLN 106 2HG GLN 106 -13.609 -9.388 -10.171 853 1HE2 GLN 106 1HE2 GLN 106 -15.734 -11.920 -9.418 854 2HE2 GLN 106 2HE2 GLN 106 -14.962 -13.215 -10.273 855 H THR 107 H THR 107 -12.512 -9.988 -4.969 856 HA THR 107 HA THR 107 -13.853 -12.493 -4.219 857 HB THR 107 HB THR 107 -11.546 -12.926 -4.564 858 HG1 THR 107 1HG THR 107 -10.755 -12.966 -2.278 859 1HG2 THR 107 1HG2 THR 107 -10.563 -10.753 -4.908 860 2HG2 THR 107 2HG2 THR 107 -11.118 -10.172 -3.319 861 3HG2 THR 107 3HG2 THR 107 -9.802 -11.366 -3.420 862 H GLU 108 H GLU 108 -13.293 -9.164 -3.267 863 HA GLU 108 HA GLU 108 -14.645 -9.815 -0.765 864 1HB GLU 108 1HB GLU 108 -12.677 -7.519 -1.103 865 2HB GLU 108 2HB GLU 108 -13.364 -8.123 0.392 866 1HG GLU 108 1HG GLU 108 -11.670 -9.898 -1.411 867 2HG GLU 108 2HG GLU 108 -10.940 -8.858 -0.205 868 HA PRO 109 HA PRO 109 -17.153 -6.880 -3.129 869 1HB PRO 109 1HB PRO 109 -19.532 -8.210 -2.931 870 2HB PRO 109 2HB PRO 109 -18.442 -8.393 -4.291 871 1HG PRO 109 1HG PRO 109 -18.943 -10.259 -2.054 872 2HG PRO 109 2HG PRO 109 -18.206 -10.584 -3.611 873 1HD PRO 109 1HD PRO 109 -16.852 -10.287 -1.099 874 2HD PRO 109 2HD PRO 109 -16.110 -10.495 -2.673 875 H GLN 110 H GLN 110 -17.647 -8.438 -0.071 876 HA GLN 110 HA GLN 110 -19.521 -6.530 0.804 877 1HB GLN 110 1HB GLN 110 -19.218 -7.579 3.011 878 2HB GLN 110 2HB GLN 110 -19.370 -8.804 1.769 879 1HG GLN 110 1HG GLN 110 -16.789 -8.842 1.669 880 2HG GLN 110 2HG GLN 110 -16.806 -7.858 3.120 881 1HE2 GLN 110 1HE2 GLN 110 -17.742 -8.672 5.038 882 2HE2 GLN 110 2HE2 GLN 110 -17.872 -10.372 5.341 883 H ASN 111 H ASN 111 -16.011 -6.672 0.596 884 HA ASN 111 HA ASN 111 -15.223 -5.082 2.620 885 1HB ASN 111 1HB ASN 111 -13.715 -6.159 0.916 886 2HB ASN 111 2HB ASN 111 -14.233 -4.986 -0.280 887 1HD2 ASN 111 1HD2 ASN 111 -11.594 -5.575 0.885 888 2HD2 ASN 111 2HD2 ASN 111 -10.981 -4.086 1.524 889 H ASN 112 H ASN 112 -16.510 -3.259 3.168 890 HA ASN 112 HA ASN 112 -17.699 -1.632 1.255 891 1HB ASN 112 1HB ASN 112 -16.939 -0.811 4.101 892 2HB ASN 112 2HB ASN 112 -18.262 -0.176 3.143 893 1HD2 ASN 112 1HD2 ASN 112 -20.025 -1.566 2.591 894 2HD2 ASN 112 2HD2 ASN 112 -20.477 -2.886 3.618 895 H GLN 113 H GLN 113 -14.622 -1.508 3.134 896 HA GLN 113 HA GLN 113 -13.886 1.064 2.592 897 1HB GLN 113 1HB GLN 113 -12.239 -1.461 2.997 898 2HB GLN 113 2HB GLN 113 -11.493 0.116 2.841 899 1HG GLN 113 1HG GLN 113 -12.192 0.810 4.922 900 2HG GLN 113 2HG GLN 113 -13.753 0.029 4.775 901 1HE2 GLN 113 1HE2 GLN 113 -11.135 0.074 6.588 902 2HE2 GLN 113 2HE2 GLN 113 -10.997 -1.573 7.107 903 H ALA 114 H ALA 114 -13.678 -1.878 0.567 904 HA ALA 114 HA ALA 114 -12.108 -0.540 -1.443 905 1HB ALA 114 1HB ALA 114 -13.328 -3.274 -1.054 906 2HB ALA 114 2HB ALA 114 -12.743 -2.777 -2.660 907 3HB ALA 114 3HB ALA 114 -11.621 -2.821 -1.278 908 H LYS 115 H LYS 115 -15.522 -1.548 -0.879 909 HA LYS 115 HA LYS 115 -16.583 -1.092 -3.336 910 1HB LYS 115 1HB LYS 115 -17.633 -0.779 -0.540 911 2HB LYS 115 2HB LYS 115 -18.631 -0.286 -1.892 912 1HG LYS 115 1HG LYS 115 -17.908 -2.676 -2.873 913 2HG LYS 115 2HG LYS 115 -17.621 -3.042 -1.183 914 1HD LYS 115 1HD LYS 115 -19.842 -3.319 -0.830 915 2HD LYS 115 2HD LYS 115 -20.156 -1.677 -1.361 916 1HE LYS 115 1HE LYS 115 -20.313 -2.392 -3.702 917 2HE LYS 115 2HE LYS 115 -19.777 -4.010 -3.295 918 1HZ LYS 115 1HZ LYS 115 -22.275 -3.466 -3.497 919 2HZ LYS 115 2HZ LYS 115 -21.764 -4.498 -2.341 920 3HZ LYS 115 3HZ LYS 115 -22.127 -2.954 -1.953 921 H GLU 116 H GLU 116 -16.291 1.386 -0.688 922 HA GLU 116 HA GLU 116 -17.197 3.502 -2.093 923 1HB GLU 116 1HB GLU 116 -15.581 3.058 0.294 924 2HB GLU 116 2HB GLU 116 -15.037 4.498 -0.542 925 1HG GLU 116 1HG GLU 116 -17.725 4.910 -0.703 926 2HG GLU 116 2HG GLU 116 -17.686 3.940 0.757 927 H LEU 117 H LEU 117 -13.692 2.571 -1.745 928 HA LEU 117 HA LEU 117 -12.535 4.392 -3.327 929 1HB LEU 117 1HB LEU 117 -11.652 2.266 -2.076 930 2HB LEU 117 2HB LEU 117 -11.765 1.518 -3.657 931 HG LEU 117 HG LEU 117 -10.268 3.275 -4.577 932 1HD1 LEU 117 1HD1 LEU 117 -8.974 4.669 -2.952 933 2HD1 LEU 117 2HD1 LEU 117 -10.690 5.114 -3.109 934 3HD1 LEU 117 3HD1 LEU 117 -10.137 4.189 -1.694 935 1HD2 LEU 117 1HD2 LEU 117 -8.810 2.082 -2.250 936 2HD2 LEU 117 2HD2 LEU 117 -9.564 1.006 -3.452 937 3HD2 LEU 117 3HD2 LEU 117 -8.340 2.193 -3.964 938 H GLU 118 H GLU 118 -13.866 1.246 -4.577 939 HA GLU 118 HA GLU 118 -13.442 1.572 -7.172 940 1HB GLU 118 1HB GLU 118 -14.839 -0.212 -5.747 941 2HB GLU 118 2HB GLU 118 -16.210 0.686 -6.368 942 1HG GLU 118 1HG GLU 118 -14.761 0.414 -8.675 943 2HG GLU 118 2HG GLU 118 -14.241 -1.032 -7.833 944 H ARG 119 H ARG 119 -16.227 2.997 -5.337 945 HA ARG 119 HA ARG 119 -17.267 4.255 -7.613 946 1HB ARG 119 1HB ARG 119 -17.832 4.149 -4.704 947 2HB ARG 119 2HB ARG 119 -18.214 5.708 -5.410 948 1HG ARG 119 1HG ARG 119 -19.132 3.572 -7.175 949 2HG ARG 119 2HG ARG 119 -19.757 3.314 -5.559 950 1HD ARG 119 1HD ARG 119 -20.794 5.506 -5.504 951 2HD ARG 119 2HD ARG 119 -19.932 6.029 -6.938 952 HE ARG 119 HE ARG 119 -21.407 3.724 -7.677 953 1HH1 ARG 119 1HH1 ARG 119 -22.054 6.999 -6.562 954 2HH1 ARG 119 2HH1 ARG 119 -23.583 7.109 -7.368 955 1HH2 ARG 119 1HH2 ARG 119 -23.424 3.868 -8.741 956 2HH2 ARG 119 2HH2 ARG 119 -24.367 5.316 -8.617 957 H LEU 120 H LEU 120 -14.949 5.148 -5.038 958 HA LEU 120 HA LEU 120 -14.928 7.900 -5.432 959 1HB LEU 120 1HB LEU 120 -12.793 5.991 -4.479 960 2HB LEU 120 2HB LEU 120 -12.630 7.735 -4.435 961 HG LEU 120 HG LEU 120 -14.714 6.099 -2.961 962 1HD1 LEU 120 1HD1 LEU 120 -12.872 5.728 -1.680 963 2HD1 LEU 120 2HD1 LEU 120 -12.056 7.219 -2.211 964 3HD1 LEU 120 3HD1 LEU 120 -13.363 7.300 -1.005 965 1HD2 LEU 120 1HD2 LEU 120 -14.240 9.093 -2.982 966 2HD2 LEU 120 2HD2 LEU 120 -15.669 8.227 -3.600 967 3HD2 LEU 120 3HD2 LEU 120 -15.314 8.229 -1.855 968 H ILE 121 H ILE 121 -12.602 5.424 -6.736 969 HA ILE 121 HA ILE 121 -11.261 7.136 -8.416 970 HB ILE 121 HB ILE 121 -11.847 4.197 -8.793 971 1HG1 ILE 121 1HG1 ILE 121 -9.231 4.899 -7.729 972 2HG1 ILE 121 2HG1 ILE 121 -10.516 5.471 -6.684 973 1HG2 ILE 121 1HG2 ILE 121 -9.285 4.892 -9.758 974 2HG2 ILE 121 2HG2 ILE 121 -10.700 4.335 -10.684 975 3HG2 ILE 121 3HG2 ILE 121 -10.428 6.077 -10.436 976 1HD1 ILE 121 1HD1 ILE 121 -9.595 2.990 -6.445 977 2HD1 ILE 121 2HD1 ILE 121 -11.333 3.318 -6.261 978 3HD1 ILE 121 3HD1 ILE 121 -10.709 2.669 -7.796 979 H ASP 122 H ASP 122 -14.293 5.262 -8.974 980 HA ASP 122 HA ASP 122 -14.662 5.552 -11.573 981 1HB ASP 122 1HB ASP 122 -16.261 4.708 -9.671 982 2HB ASP 122 2HB ASP 122 -16.878 6.348 -9.649 983 H LYS 123 H LYS 123 -15.036 8.080 -9.027 984 HA LYS 123 HA LYS 123 -15.940 10.038 -10.938 985 1HB LYS 123 1HB LYS 123 -16.291 9.663 -8.220 986 2HB LYS 123 2HB LYS 123 -15.133 10.977 -8.274 987 1HG LYS 123 1HG LYS 123 -16.607 12.432 -9.346 988 2HG LYS 123 2HG LYS 123 -17.448 11.143 -10.185 989 1HD LYS 123 1HD LYS 123 -18.084 10.506 -7.595 990 2HD LYS 123 2HD LYS 123 -17.913 12.243 -7.441 991 1HE LYS 123 1HE LYS 123 -20.190 11.996 -8.027 992 2HE LYS 123 2HE LYS 123 -19.440 12.394 -9.560 993 1HZ LYS 123 1HZ LYS 123 -19.740 10.315 -10.321 994 2HZ LYS 123 2HZ LYS 123 -19.562 9.593 -8.867 995 3HZ LYS 123 3HZ LYS 123 -20.976 10.313 -9.254 996 H ALA 124 H ALA 124 -12.998 9.367 -8.938 997 HA ALA 124 HA ALA 124 -11.463 11.491 -9.467 998 1HB ALA 124 1HB ALA 124 -11.018 9.163 -8.292 999 2HB ALA 124 2HB ALA 124 -10.275 8.751 -9.856 1000 3HB ALA 124 3HB ALA 124 -9.659 10.131 -8.914 1001 H MET 125 H MET 125 -12.263 8.820 -11.744 1002 HA MET 125 HA MET 125 -10.497 9.633 -13.730 1003 1HB MET 125 1HB MET 125 -13.189 8.172 -13.942 1004 2HB MET 125 2HB MET 125 -11.960 8.182 -15.192 1005 1HG MET 125 1HG MET 125 -10.729 7.385 -12.684 1006 2HG MET 125 2HG MET 125 -12.163 6.412 -12.941 1007 1HE MET 125 1HE MET 125 -9.518 4.093 -13.839 1008 2HE MET 125 2HE MET 125 -10.903 4.590 -12.838 1009 3HE MET 125 3HE MET 125 -11.178 3.788 -14.404 1010 H LYS 126 H LYS 126 -14.021 10.311 -13.204 1011 HA LYS 126 HA LYS 126 -14.005 12.134 -15.451 1012 1HB LYS 126 1HB LYS 126 -15.988 10.629 -13.938 1013 2HB LYS 126 2HB LYS 126 -16.467 12.303 -14.132 1014 1HG LYS 126 1HG LYS 126 -15.316 11.222 -16.614 1015 2HG LYS 126 2HG LYS 126 -16.674 10.259 -16.068 1016 1HD LYS 126 1HD LYS 126 -17.296 13.094 -15.775 1017 2HD LYS 126 2HD LYS 126 -16.763 12.772 -17.412 1018 1HE LYS 126 1HE LYS 126 -18.725 10.835 -16.198 1019 2HE LYS 126 2HE LYS 126 -19.330 12.420 -16.635 1020 1HZ LYS 126 1HZ LYS 126 -18.967 12.032 -18.812 1021 2HZ LYS 126 2HZ LYS 126 -17.683 11.051 -18.580 1022 3HZ LYS 126 3HZ LYS 126 -19.196 10.482 -18.351 1023 H LYS 127 H LYS 127 -12.110 12.982 -13.666 1024 HA LYS 127 HA LYS 127 -13.363 15.422 -12.693 1025 1HB LYS 127 1HB LYS 127 -11.912 13.414 -10.988 1026 2HB LYS 127 2HB LYS 127 -11.810 15.121 -10.603 1027 1HG LYS 127 1HG LYS 127 -14.229 15.305 -10.389 1028 2HG LYS 127 2HG LYS 127 -14.472 13.702 -11.056 1029 1HD LYS 127 1HD LYS 127 -14.020 12.661 -9.065 1030 2HD LYS 127 2HD LYS 127 -12.671 13.718 -8.702 1031 1HE LYS 127 1HE LYS 127 -14.842 15.451 -8.475 1032 2HE LYS 127 2HE LYS 127 -15.514 13.946 -7.884 1033 1HZ LYS 127 1HZ LYS 127 -14.529 14.915 -6.056 1034 2HZ LYS 127 2HZ LYS 127 -13.410 13.818 -6.515 1035 3HZ LYS 127 3HZ LYS 127 -13.194 15.398 -6.864 1036 H SER 128 H SER 128 -10.185 13.651 -12.775 1037 HA SER 128 HA SER 128 -8.225 14.238 -13.498 1038 1HB SER 128 1HB SER 128 -10.050 15.589 -15.433 1039 2HB SER 128 2HB SER 128 -8.404 16.189 -15.424 1040 HG SER 128 HG SER 128 -8.270 13.482 -15.352 1041 H GLY 129 H GLY 129 -6.893 16.564 -14.200 1042 1HA GLY 129 1HA GLY 129 -7.654 18.869 -12.756 1043 2HA GLY 129 2HA GLY 129 -6.576 17.899 -11.773 1044 HA PRO 130 HA PRO 130 -4.105 20.380 -14.755 1045 1HB PRO 130 1HB PRO 130 -2.960 22.166 -13.033 1046 2HB PRO 130 2HB PRO 130 -4.386 22.531 -13.983 1047 1HG PRO 130 1HG PRO 130 -4.187 21.923 -11.097 1048 2HG PRO 130 2HG PRO 130 -5.498 22.693 -11.969 1049 1HD PRO 130 1HD PRO 130 -5.419 19.986 -11.024 1050 2HD PRO 130 2HD PRO 130 -6.679 20.721 -11.995 1051 H SER 131 H SER 131 -2.327 19.393 -15.459 1052 HA SER 131 HA SER 131 -0.409 18.762 -13.391 1053 1HB SER 131 1HB SER 131 -1.998 16.757 -13.947 1054 2HB SER 131 2HB SER 131 -1.125 16.663 -15.465 1055 HG SER 131 HG SER 131 0.020 15.313 -14.136 1056 H SER 132 H SER 132 1.258 20.054 -14.140 1057 HA SER 132 HA SER 132 1.665 20.221 -16.981 1058 1HB SER 132 1HB SER 132 3.239 21.553 -14.735 1059 2HB SER 132 2HB SER 132 3.283 21.984 -16.432 1060 HG SER 132 HG SER 132 1.745 23.376 -15.878 1061 H GLY 133 H GLY 133 3.475 19.376 -18.091 1062 1HA GLY 133 1HA GLY 133 5.846 18.643 -17.706 1063 2HA GLY 133 2HA GLY 133 5.183 17.572 -16.487 Start of MODEL 9 1 H GLY 1 H GLY 1 -25.080 4.485 15.895 2 1HA GLY 1 1HA GLY 1 -24.291 6.842 17.422 3 2HA GLY 1 2HA GLY 1 -24.948 5.337 18.037 4 H SER 2 H SER 2 -22.068 7.162 17.362 5 HA SER 2 HA SER 2 -20.506 5.408 18.843 6 1HB SER 2 1HB SER 2 -20.748 4.581 16.164 7 2HB SER 2 2HB SER 2 -19.206 5.413 16.207 8 HG SER 2 HG SER 2 -19.996 3.002 17.447 9 H SER 3 H SER 3 -18.165 6.215 18.931 10 HA SER 3 HA SER 3 -18.229 9.072 18.483 11 1HB SER 3 1HB SER 3 -17.027 7.271 20.466 12 2HB SER 3 2HB SER 3 -15.852 8.414 19.847 13 HG SER 3 HG SER 3 -18.297 8.918 21.260 14 H GLY 4 H GLY 4 -17.798 9.106 16.189 15 1HA GLY 4 1HA GLY 4 -15.715 9.710 14.980 16 2HA GLY 4 2HA GLY 4 -15.101 8.137 15.448 17 H SER 5 H SER 5 -14.989 8.381 12.842 18 HA SER 5 HA SER 5 -17.206 6.762 11.944 19 1HB SER 5 1HB SER 5 -17.761 9.126 11.327 20 2HB SER 5 2HB SER 5 -16.254 9.241 10.441 21 HG SER 5 HG SER 5 -17.172 8.266 8.777 22 H SER 6 H SER 6 -15.721 4.984 11.899 23 HA SER 6 HA SER 6 -13.437 5.357 10.141 24 1HB SER 6 1HB SER 6 -12.403 3.522 11.245 25 2HB SER 6 2HB SER 6 -13.174 4.433 12.526 26 HG SER 6 HG SER 6 -15.083 2.841 11.989 27 H GLY 7 H GLY 7 -14.101 4.969 8.034 28 1HA GLY 7 1HA GLY 7 -15.385 2.362 7.531 29 2HA GLY 7 2HA GLY 7 -16.047 3.827 6.834 30 H MET 8 H MET 8 -15.319 4.435 4.837 31 HA MET 8 HA MET 8 -12.735 3.327 4.046 32 1HB MET 8 1HB MET 8 -14.584 2.257 2.805 33 2HB MET 8 2HB MET 8 -15.301 3.813 2.438 34 1HG MET 8 1HG MET 8 -14.151 3.217 0.435 35 2HG MET 8 2HG MET 8 -13.087 4.378 1.206 36 1HE MET 8 1HE MET 8 -11.022 3.987 0.391 37 2HE MET 8 2HE MET 8 -10.536 3.685 2.077 38 3HE MET 8 3HE MET 8 -9.949 2.621 0.776 39 H GLU 9 H GLU 9 -15.046 6.074 3.844 40 HA GLU 9 HA GLU 9 -13.381 7.654 2.243 41 1HB GLU 9 1HB GLU 9 -15.997 7.796 3.220 42 2HB GLU 9 2HB GLU 9 -15.202 9.129 4.034 43 1HG GLU 9 1HG GLU 9 -14.334 9.938 1.811 44 2HG GLU 9 2HG GLU 9 -15.196 8.634 1.019 45 H ALA 10 H ALA 10 -13.168 6.655 5.520 46 HA ALA 10 HA ALA 10 -11.788 9.055 6.390 47 1HB ALA 10 1HB ALA 10 -12.146 6.456 7.910 48 2HB ALA 10 2HB ALA 10 -11.905 8.096 8.558 49 3HB ALA 10 3HB ALA 10 -13.448 7.663 7.784 50 H VAL 11 H VAL 11 -11.113 5.492 6.092 51 HA VAL 11 HA VAL 11 -8.472 5.506 6.685 52 HB VAL 11 HB VAL 11 -10.004 3.933 4.612 53 1HG1 VAL 11 1HG1 VAL 11 -8.138 2.905 3.953 54 2HG1 VAL 11 2HG1 VAL 11 -7.193 4.073 4.906 55 3HG1 VAL 11 3HG1 VAL 11 -7.702 2.532 5.638 56 1HG2 VAL 11 1HG2 VAL 11 -9.385 2.254 6.709 57 2HG2 VAL 11 2HG2 VAL 11 -9.698 3.802 7.532 58 3HG2 VAL 11 3HG2 VAL 11 -10.940 3.090 6.474 59 H LEU 12 H LEU 12 -10.038 6.407 3.564 60 HA LEU 12 HA LEU 12 -7.585 6.789 2.213 61 1HB LEU 12 1HB LEU 12 -10.294 6.686 1.576 62 2HB LEU 12 2HB LEU 12 -9.827 8.332 1.199 63 HG LEU 12 HG LEU 12 -8.005 7.484 -0.243 64 1HD1 LEU 12 1HD1 LEU 12 -7.422 5.315 -0.478 65 2HD1 LEU 12 2HD1 LEU 12 -8.130 5.180 1.149 66 3HD1 LEU 12 3HD1 LEU 12 -9.089 4.725 -0.279 67 1HD2 LEU 12 1HD2 LEU 12 -10.812 6.531 -0.849 68 2HD2 LEU 12 2HD2 LEU 12 -10.046 8.067 -1.322 69 3HD2 LEU 12 3HD2 LEU 12 -9.487 6.537 -2.038 70 H ASN 13 H ASN 13 -9.716 8.828 4.233 71 HA ASN 13 HA ASN 13 -8.498 11.237 3.531 72 1HB ASN 13 1HB ASN 13 -10.473 10.261 5.485 73 2HB ASN 13 2HB ASN 13 -9.443 11.484 6.201 74 1HD2 ASN 13 1HD2 ASN 13 -11.209 10.786 3.190 75 2HD2 ASN 13 2HD2 ASN 13 -11.798 12.388 2.902 76 H GLU 14 H GLU 14 -8.291 9.190 6.551 77 HA GLU 14 HA GLU 14 -6.454 10.461 7.942 78 1HB GLU 14 1HB GLU 14 -7.546 7.949 8.031 79 2HB GLU 14 2HB GLU 14 -5.877 7.544 7.684 80 1HG GLU 14 1HG GLU 14 -6.353 9.605 9.822 81 2HG GLU 14 2HG GLU 14 -6.792 7.952 10.207 82 H LEU 15 H LEU 15 -4.141 10.606 8.101 83 HA LEU 15 HA LEU 15 -2.751 9.783 5.646 84 1HB LEU 15 1HB LEU 15 -2.343 12.316 7.242 85 2HB LEU 15 2HB LEU 15 -1.383 11.807 5.867 86 HG LEU 15 HG LEU 15 -4.361 12.231 5.626 87 1HD1 LEU 15 1HD1 LEU 15 -3.042 14.256 6.579 88 2HD1 LEU 15 2HD1 LEU 15 -2.392 14.392 4.928 89 3HD1 LEU 15 3HD1 LEU 15 -4.147 14.497 5.206 90 1HD2 LEU 15 1HD2 LEU 15 -2.304 12.651 3.476 91 2HD2 LEU 15 2HD2 LEU 15 -2.877 11.014 3.877 92 3HD2 LEU 15 3HD2 LEU 15 -4.032 12.253 3.335 93 H VAL 16 H VAL 16 -0.145 10.304 6.372 94 HA VAL 16 HA VAL 16 0.161 8.588 8.740 95 HB VAL 16 HB VAL 16 0.888 8.075 6.131 96 1HG1 VAL 16 1HG1 VAL 16 2.704 9.890 6.591 97 2HG1 VAL 16 2HG1 VAL 16 3.499 8.607 7.534 98 3HG1 VAL 16 3HG1 VAL 16 3.172 8.365 5.801 99 1HG2 VAL 16 1HG2 VAL 16 2.529 6.398 7.432 100 2HG2 VAL 16 2HG2 VAL 16 1.567 6.971 8.816 101 3HG2 VAL 16 3HG2 VAL 16 0.759 6.203 7.429 102 H SER 17 H SER 17 1.865 9.099 10.216 103 HA SER 17 HA SER 17 2.733 11.864 9.918 104 1HB SER 17 1HB SER 17 2.806 10.370 12.544 105 2HB SER 17 2HB SER 17 2.664 12.095 12.266 106 HG SER 17 HG SER 17 0.585 10.346 11.342 107 H VAL 18 H VAL 18 4.959 12.385 10.192 108 HA VAL 18 HA VAL 18 6.806 10.533 9.376 109 HB VAL 18 HB VAL 18 7.189 13.010 11.070 110 1HG1 VAL 18 1HG1 VAL 18 9.186 11.595 11.106 111 2HG1 VAL 18 2HG1 VAL 18 9.174 11.506 9.329 112 3HG1 VAL 18 3HG1 VAL 18 9.471 13.062 10.140 113 1HG2 VAL 18 1HG2 VAL 18 6.009 13.613 9.085 114 2HG2 VAL 18 2HG2 VAL 18 7.713 14.053 8.823 115 3HG2 VAL 18 3HG2 VAL 18 7.048 12.583 8.072 116 H GLU 19 H GLU 19 5.917 11.534 12.738 117 HA GLU 19 HA GLU 19 7.758 10.284 14.173 118 1HB GLU 19 1HB GLU 19 5.443 11.480 14.790 119 2HB GLU 19 2HB GLU 19 4.893 9.828 14.990 120 1HG GLU 19 1HG GLU 19 7.524 10.551 16.256 121 2HG GLU 19 2HG GLU 19 6.080 11.221 16.990 122 H ASP 20 H ASP 20 4.914 8.709 12.595 123 HA ASP 20 HA ASP 20 5.695 6.161 13.595 124 1HB ASP 20 1HB ASP 20 3.482 7.310 11.951 125 2HB ASP 20 2HB ASP 20 3.884 5.646 11.576 126 H LEU 21 H LEU 21 5.427 7.804 10.350 127 HA LEU 21 HA LEU 21 6.328 5.894 8.695 128 1HB LEU 21 1HB LEU 21 5.623 8.286 8.224 129 2HB LEU 21 2HB LEU 21 7.279 8.751 8.555 130 HG LEU 21 HG LEU 21 7.021 8.587 6.192 131 1HD1 LEU 21 1HD1 LEU 21 8.824 7.227 5.631 132 2HD1 LEU 21 2HD1 LEU 21 9.089 7.574 7.357 133 3HD1 LEU 21 3HD1 LEU 21 8.416 6.003 6.857 134 1HD2 LEU 21 1HD2 LEU 21 5.801 7.075 5.063 135 2HD2 LEU 21 2HD2 LEU 21 6.366 5.711 6.057 136 3HD2 LEU 21 3HD2 LEU 21 5.061 6.766 6.651 137 H LYS 22 H LYS 22 8.390 8.050 10.747 138 HA LYS 22 HA LYS 22 10.819 6.997 9.864 139 1HB LYS 22 1HB LYS 22 9.954 8.492 12.339 140 2HB LYS 22 2HB LYS 22 11.605 7.939 12.142 141 1HG LYS 22 1HG LYS 22 10.263 9.487 9.905 142 2HG LYS 22 2HG LYS 22 10.916 10.347 11.285 143 1HD LYS 22 1HD LYS 22 13.144 9.266 10.898 144 2HD LYS 22 2HD LYS 22 12.489 8.420 9.511 145 1HE LYS 22 1HE LYS 22 12.294 10.390 8.221 146 2HE LYS 22 2HE LYS 22 12.223 11.432 9.629 147 1HZ LYS 22 1HZ LYS 22 14.584 10.035 8.591 148 2HZ LYS 22 2HZ LYS 22 14.342 11.649 8.682 149 3HZ LYS 22 3HZ LYS 22 14.561 10.777 10.047 150 H ASN 23 H ASN 23 8.628 6.089 12.588 151 HA ASN 23 HA ASN 23 10.207 4.283 13.819 152 1HB ASN 23 1HB ASN 23 7.473 4.996 13.855 153 2HB ASN 23 2HB ASN 23 7.443 3.282 13.493 154 1HD2 ASN 23 1HD2 ASN 23 6.350 3.972 15.773 155 2HD2 ASN 23 2HD2 ASN 23 7.325 3.574 17.149 156 H PHE 24 H PHE 24 7.966 3.802 10.994 157 HA PHE 24 HA PHE 24 8.635 1.059 10.699 158 1HB PHE 24 1HB PHE 24 7.318 3.218 8.949 159 2HB PHE 24 2HB PHE 24 7.401 1.539 8.451 160 HD1 PHE 24 1HD PHE 24 5.660 3.959 10.468 161 HD2 PHE 24 2HD PHE 24 6.209 -0.199 9.825 162 HE1 PHE 24 1HE PHE 24 3.532 3.485 11.711 163 HE2 PHE 24 2HE PHE 24 4.080 -0.673 11.066 164 HZ PHE 24 HZ PHE 24 2.768 1.175 11.995 165 H GLU 25 H GLU 25 9.484 4.097 8.902 166 HA GLU 25 HA GLU 25 10.989 2.921 6.957 167 1HB GLU 25 1HB GLU 25 10.255 5.428 7.401 168 2HB GLU 25 2HB GLU 25 11.826 5.565 8.165 169 1HG GLU 25 1HG GLU 25 12.916 4.723 6.073 170 2HG GLU 25 2HG GLU 25 11.344 4.591 5.308 171 H ARG 26 H ARG 26 11.698 3.419 10.376 172 HA ARG 26 HA ARG 26 14.497 3.125 10.038 173 1HB ARG 26 1HB ARG 26 14.138 4.273 12.015 174 2HB ARG 26 2HB ARG 26 12.581 3.519 12.291 175 1HG ARG 26 1HG ARG 26 13.555 1.565 13.261 176 2HG ARG 26 2HG ARG 26 15.133 1.897 12.575 177 1HD ARG 26 1HD ARG 26 15.282 3.962 14.045 178 2HD ARG 26 2HD ARG 26 13.763 3.503 14.787 179 HE ARG 26 HE ARG 26 16.369 2.268 15.252 180 1HH1 ARG 26 1HH1 ARG 26 12.894 1.731 15.355 181 2HH1 ARG 26 2HH1 ARG 26 12.996 0.459 16.526 182 1HH2 ARG 26 1HH2 ARG 26 16.506 0.590 16.797 183 2HH2 ARG 26 2HH2 ARG 26 15.065 -0.194 17.352 184 H LYS 27 H LYS 27 11.735 1.086 11.198 185 HA LYS 27 HA LYS 27 13.221 -1.139 11.927 186 1HB LYS 27 1HB LYS 27 10.573 -0.397 11.972 187 2HB LYS 27 2HB LYS 27 10.562 -1.678 10.777 188 1HG LYS 27 1HG LYS 27 10.678 -3.213 12.438 189 2HG LYS 27 2HG LYS 27 12.255 -2.594 12.888 190 1HD LYS 27 1HD LYS 27 11.153 -0.858 14.327 191 2HD LYS 27 2HD LYS 27 9.583 -1.499 13.889 192 1HE LYS 27 1HE LYS 27 11.368 -3.631 14.840 193 2HE LYS 27 2HE LYS 27 11.219 -2.355 16.031 194 1HZ LYS 27 1HZ LYS 27 8.733 -3.034 14.837 195 2HZ LYS 27 2HZ LYS 27 9.422 -4.304 15.600 196 3HZ LYS 27 3HZ LYS 27 9.129 -2.922 16.418 197 H PHE 28 H PHE 28 11.734 -0.223 8.759 198 HA PHE 28 HA PHE 28 12.348 -2.523 7.387 199 1HB PHE 28 1HB PHE 28 10.996 -0.396 6.735 200 2HB PHE 28 2HB PHE 28 12.529 0.386 6.405 201 HD1 PHE 28 1HD PHE 28 13.479 0.221 4.288 202 HD2 PHE 28 2HD PHE 28 10.514 -2.589 5.432 203 HE1 PHE 28 1HE PHE 28 13.443 -0.692 1.950 204 HE2 PHE 28 2HE PHE 28 10.477 -3.503 3.095 205 HZ PHE 28 HZ PHE 28 11.942 -2.543 1.382 206 H GLN 29 H GLN 29 14.250 0.582 7.284 207 HA GLN 29 HA GLN 29 16.345 -0.346 5.875 208 1HB GLN 29 1HB GLN 29 16.249 1.690 8.135 209 2HB GLN 29 2HB GLN 29 17.697 1.424 7.184 210 1HG GLN 29 1HG GLN 29 15.912 1.703 5.150 211 2HG GLN 29 2HG GLN 29 15.082 2.655 6.366 212 1HE2 GLN 29 1HE2 GLN 29 15.702 4.662 6.748 213 2HE2 GLN 29 2HE2 GLN 29 17.131 5.433 6.145 214 H SER 30 H SER 30 16.229 -0.171 9.514 215 HA SER 30 HA SER 30 18.569 -1.417 10.007 216 1HB SER 30 1HB SER 30 17.141 -0.390 11.741 217 2HB SER 30 2HB SER 30 15.949 -1.660 11.552 218 HG SER 30 HG SER 30 18.690 -2.209 12.289 219 H GLU 31 H GLU 31 15.306 -3.052 9.989 220 HA GLU 31 HA GLU 31 16.159 -5.589 10.262 221 1HB GLU 31 1HB GLU 31 13.833 -4.436 8.682 222 2HB GLU 31 2HB GLU 31 14.056 -6.167 8.845 223 1HG GLU 31 1HG GLU 31 14.044 -4.356 11.290 224 2HG GLU 31 2HG GLU 31 12.544 -4.941 10.595 225 H GLN 32 H GLN 32 16.395 -3.493 7.412 226 HA GLN 32 HA GLN 32 16.769 -5.506 5.529 227 1HB GLN 32 1HB GLN 32 16.402 -2.852 5.358 228 2HB GLN 32 2HB GLN 32 18.150 -2.847 5.233 229 1HG GLN 32 1HG GLN 32 18.068 -4.383 3.308 230 2HG GLN 32 2HG GLN 32 16.336 -4.572 3.484 231 1HE2 GLN 32 1HE2 GLN 32 17.075 -3.856 1.104 232 2HE2 GLN 32 2HE2 GLN 32 16.796 -2.183 0.755 233 H ALA 33 H ALA 33 19.218 -3.342 7.144 234 HA ALA 33 HA ALA 33 21.398 -4.877 6.199 235 1HB ALA 33 1HB ALA 33 22.276 -2.870 6.732 236 2HB ALA 33 2HB ALA 33 20.893 -2.464 7.776 237 3HB ALA 33 3HB ALA 33 22.251 -3.414 8.426 238 H ALA 34 H ALA 34 19.006 -5.506 8.531 239 HA ALA 34 HA ALA 34 20.655 -6.785 10.472 240 1HB ALA 34 1HB ALA 34 18.142 -5.791 10.479 241 2HB ALA 34 2HB ALA 34 17.774 -7.504 10.167 242 3HB ALA 34 3HB ALA 34 18.690 -7.042 11.621 243 H GLY 35 H GLY 35 19.184 -7.637 7.374 244 1HA GLY 35 1HA GLY 35 20.632 -9.744 6.686 245 2HA GLY 35 2HA GLY 35 19.541 -10.495 7.834 246 H SER 36 H SER 36 17.202 -8.817 7.314 247 HA SER 36 HA SER 36 16.586 -8.601 4.658 248 1HB SER 36 1HB SER 36 15.130 -10.606 4.302 249 2HB SER 36 2HB SER 36 16.828 -11.015 4.440 250 HG SER 36 HG SER 36 16.460 -11.619 6.670 251 H VAL 37 H VAL 37 14.717 -7.363 4.577 252 HA VAL 37 HA VAL 37 13.446 -6.714 7.019 253 HB VAL 37 HB VAL 37 12.945 -6.048 4.120 254 1HG1 VAL 37 1HG1 VAL 37 10.923 -5.232 4.583 255 2HG1 VAL 37 2HG1 VAL 37 11.052 -5.877 6.238 256 3HG1 VAL 37 3HG1 VAL 37 11.604 -4.222 5.881 257 1HG2 VAL 37 1HG2 VAL 37 14.609 -4.971 6.251 258 2HG2 VAL 37 2HG2 VAL 37 14.607 -4.605 4.509 259 3HG2 VAL 37 3HG2 VAL 37 13.499 -3.740 5.602 260 H SER 38 H SER 38 11.644 -7.551 7.978 261 HA SER 38 HA SER 38 10.599 -9.931 6.859 262 1HB SER 38 1HB SER 38 9.592 -8.359 9.269 263 2HB SER 38 2HB SER 38 9.255 -10.041 8.911 264 HG SER 38 HG SER 38 10.973 -9.762 10.499 265 H LYS 39 H LYS 39 8.392 -10.316 6.165 266 HA LYS 39 HA LYS 39 7.308 -8.464 4.502 267 1HB LYS 39 1HB LYS 39 5.917 -10.694 6.016 268 2HB LYS 39 2HB LYS 39 5.223 -9.832 4.658 269 1HG LYS 39 1HG LYS 39 7.463 -10.487 3.413 270 2HG LYS 39 2HG LYS 39 7.628 -11.681 4.685 271 1HD LYS 39 1HD LYS 39 4.969 -11.486 3.272 272 2HD LYS 39 2HD LYS 39 6.304 -12.217 2.404 273 1HE LYS 39 1HE LYS 39 5.294 -14.059 3.507 274 2HE LYS 39 2HE LYS 39 6.667 -13.680 4.529 275 1HZ LYS 39 1HZ LYS 39 5.288 -13.257 6.171 276 2HZ LYS 39 2HZ LYS 39 4.469 -12.139 5.307 277 3HZ LYS 39 3HZ LYS 39 4.019 -13.707 5.246 278 H SER 40 H SER 40 6.390 -9.093 7.954 279 HA SER 40 HA SER 40 4.348 -7.412 8.224 280 1HB SER 40 1HB SER 40 6.680 -7.738 10.164 281 2HB SER 40 2HB SER 40 5.120 -7.065 10.594 282 HG SER 40 HG SER 40 5.829 -9.759 9.980 283 H THR 41 H THR 41 7.837 -6.461 8.681 284 HA THR 41 HA THR 41 7.319 -3.725 8.969 285 HB THR 41 HB THR 41 9.774 -5.320 8.074 286 HG1 THR 41 1HG THR 41 8.704 -4.097 10.517 287 1HG2 THR 41 1HG2 THR 41 10.877 -3.184 9.203 288 2HG2 THR 41 2HG2 THR 41 10.409 -3.110 7.488 289 3HG2 THR 41 3HG2 THR 41 9.360 -2.382 8.728 290 H GLN 42 H GLN 42 7.601 -5.798 6.103 291 HA GLN 42 HA GLN 42 8.056 -3.719 4.305 292 1HB GLN 42 1HB GLN 42 8.327 -6.268 3.970 293 2HB GLN 42 2HB GLN 42 6.599 -6.315 3.677 294 1HG GLN 42 1HG GLN 42 6.755 -5.073 1.683 295 2HG GLN 42 2HG GLN 42 8.250 -4.291 2.157 296 1HE2 GLN 42 1HE2 GLN 42 8.066 -5.316 -0.308 297 2HE2 GLN 42 2HE2 GLN 42 9.036 -6.739 -0.498 298 H PHE 43 H PHE 43 5.003 -5.644 4.815 299 HA PHE 43 HA PHE 43 3.366 -3.964 3.382 300 1HB PHE 43 1HB PHE 43 2.422 -6.042 4.021 301 2HB PHE 43 2HB PHE 43 3.170 -6.000 5.605 302 HD1 PHE 43 1HD PHE 43 2.134 -4.653 7.422 303 HD2 PHE 43 2HD PHE 43 0.222 -5.187 3.672 304 HE1 PHE 43 1HE PHE 43 -0.047 -3.932 8.432 305 HE2 PHE 43 2HE PHE 43 -1.960 -4.467 4.682 306 HZ PHE 43 HZ PHE 43 -2.069 -3.847 7.050 307 H GLU 44 H GLU 44 4.523 -3.736 6.760 308 HA GLU 44 HA GLU 44 2.659 -1.879 7.620 309 1HB GLU 44 1HB GLU 44 5.467 -2.614 8.488 310 2HB GLU 44 2HB GLU 44 4.637 -1.277 9.259 311 1HG GLU 44 1HG GLU 44 3.344 -4.023 8.980 312 2HG GLU 44 2HG GLU 44 4.373 -3.620 10.342 313 H TYR 45 H TYR 45 6.167 -1.121 7.060 314 HA TYR 45 HA TYR 45 5.925 1.573 6.861 315 1HB TYR 45 1HB TYR 45 8.056 0.286 6.882 316 2HB TYR 45 2HB TYR 45 7.641 -0.505 5.374 317 HD1 TYR 45 1HD TYR 45 8.848 0.204 3.535 318 HD2 TYR 45 2HD TYR 45 7.934 3.039 6.606 319 HE1 TYR 45 1HE TYR 45 10.098 2.007 2.252 320 HE2 TYR 45 2HE TYR 45 9.187 4.833 5.312 321 HH TYR 45 HH TYR 45 9.751 5.222 2.864 322 H ALA 46 H ALA 46 5.665 -0.829 4.153 323 HA ALA 46 HA ALA 46 5.351 0.995 2.106 324 1HB ALA 46 1HB ALA 46 3.865 -1.636 2.213 325 2HB ALA 46 2HB ALA 46 4.677 -0.860 0.831 326 3HB ALA 46 3HB ALA 46 5.643 -1.599 2.131 327 H TRP 47 H TRP 47 3.055 -0.187 4.572 328 HA TRP 47 HA TRP 47 0.772 0.911 3.257 329 1HB TRP 47 1HB TRP 47 0.513 -0.997 4.683 330 2HB TRP 47 2HB TRP 47 1.241 -0.160 6.040 331 HD1 TRP 47 HD TRP 47 -0.616 0.498 7.741 332 HE1 TRP 47 1HE TRP 47 -3.112 1.353 7.728 333 HE3 TRP 47 3HE TRP 47 -1.143 0.491 2.684 334 HZ2 TRP 47 2HZ TRP 47 -4.985 1.917 5.650 335 HZ3 TRP 47 3HZ TRP 47 -3.338 1.208 1.745 336 HH2 TRP 47 HH TRP 47 -5.220 1.905 3.139 337 H CYS 48 H CYS 48 3.289 1.970 5.534 338 HA CYS 48 HA CYS 48 1.900 4.207 6.516 339 1HB CYS 48 1HB CYS 48 4.590 3.069 6.739 340 2HB CYS 48 2HB CYS 48 4.608 4.821 6.711 341 HG CYS 48 HG CYS 48 3.493 2.680 8.845 342 H LEU 49 H LEU 49 4.074 3.540 3.727 343 HA LEU 49 HA LEU 49 4.427 6.206 2.948 344 1HB LEU 49 1HB LEU 49 4.581 3.601 1.433 345 2HB LEU 49 2HB LEU 49 5.010 5.151 0.738 346 HG LEU 49 HG LEU 49 6.356 3.768 3.070 347 1HD1 LEU 49 1HD1 LEU 49 7.706 2.875 1.559 348 2HD1 LEU 49 2HD1 LEU 49 6.746 3.622 0.258 349 3HD1 LEU 49 3HD1 LEU 49 8.132 4.495 0.956 350 1HD2 LEU 49 1HD2 LEU 49 6.287 6.592 2.356 351 2HD2 LEU 49 2HD2 LEU 49 6.925 5.790 3.810 352 3HD2 LEU 49 3HD2 LEU 49 7.940 5.930 2.354 353 H VAL 50 H VAL 50 2.072 3.664 1.877 354 HA VAL 50 HA VAL 50 0.719 5.435 0.136 355 HB VAL 50 HB VAL 50 -0.963 3.633 0.074 356 1HG1 VAL 50 1HG1 VAL 50 0.557 1.860 -0.816 357 2HG1 VAL 50 2HG1 VAL 50 0.920 3.491 -1.431 358 3HG1 VAL 50 3HG1 VAL 50 1.938 2.771 -0.161 359 1HG2 VAL 50 1HG2 VAL 50 -0.063 1.464 1.338 360 2HG2 VAL 50 2HG2 VAL 50 0.574 2.692 2.459 361 3HG2 VAL 50 3HG2 VAL 50 -1.172 2.619 2.116 362 H ARG 51 H ARG 51 0.879 7.136 2.085 363 HA ARG 51 HA ARG 51 -1.751 7.601 2.803 364 1HB ARG 51 1HB ARG 51 -0.089 6.131 4.799 365 2HB ARG 51 2HB ARG 51 -0.894 7.548 5.443 366 1HG ARG 51 1HG ARG 51 -2.916 6.511 5.424 367 2HG ARG 51 2HG ARG 51 -2.735 6.048 3.743 368 1HD ARG 51 1HD ARG 51 -2.947 4.082 5.330 369 2HD ARG 51 2HD ARG 51 -1.506 4.035 4.334 370 HE ARG 51 HE ARG 51 -0.184 4.333 6.251 371 1HH1 ARG 51 1HH1 ARG 51 -3.533 5.111 7.004 372 2HH1 ARG 51 2HH1 ARG 51 -3.252 5.247 8.708 373 1HH2 ARG 51 1HH2 ARG 51 0.186 4.513 8.500 374 2HH2 ARG 51 2HH2 ARG 51 -1.123 4.905 9.564 375 H SER 52 H SER 52 1.743 8.045 3.547 376 HA SER 52 HA SER 52 1.842 10.321 4.868 377 1HB SER 52 1HB SER 52 3.870 9.236 4.145 378 2HB SER 52 2HB SER 52 3.479 9.464 2.452 379 HG SER 52 HG SER 52 4.792 11.166 2.712 380 H LYS 53 H LYS 53 2.024 12.648 4.283 381 HA LYS 53 HA LYS 53 -0.101 13.503 2.710 382 1HB LYS 53 1HB LYS 53 0.917 15.759 3.013 383 2HB LYS 53 2HB LYS 53 0.707 14.860 4.503 384 1HG LYS 53 1HG LYS 53 3.249 14.060 3.750 385 2HG LYS 53 2HG LYS 53 3.215 15.701 3.137 386 1HD LYS 53 1HD LYS 53 3.203 16.629 5.238 387 2HD LYS 53 2HD LYS 53 2.084 15.437 5.869 388 1HE LYS 53 1HE LYS 53 3.914 13.770 6.054 389 2HE LYS 53 2HE LYS 53 5.046 14.900 5.336 390 1HZ LYS 53 1HZ LYS 53 4.979 16.234 7.190 391 2HZ LYS 53 2HZ LYS 53 3.554 15.646 7.732 392 3HZ LYS 53 3HZ LYS 53 4.909 14.742 7.852 393 H TYR 54 H TYR 54 3.306 12.809 1.947 394 HA TYR 54 HA TYR 54 3.243 14.118 -0.583 395 1HB TYR 54 1HB TYR 54 4.972 11.832 0.549 396 2HB TYR 54 2HB TYR 54 5.434 12.884 -0.773 397 HD1 TYR 54 1HD TYR 54 6.924 12.336 1.890 398 HD2 TYR 54 2HD TYR 54 4.293 15.462 0.620 399 HE1 TYR 54 1HE TYR 54 8.016 13.935 3.537 400 HE2 TYR 54 2HE TYR 54 5.394 17.050 2.273 401 HH TYR 54 HH TYR 54 6.726 16.556 4.628 402 H ASN 55 H ASN 55 3.505 12.993 -2.689 403 HA ASN 55 HA ASN 55 1.722 10.714 -2.732 404 1HB ASN 55 1HB ASN 55 2.591 12.817 -4.722 405 2HB ASN 55 2HB ASN 55 2.089 11.265 -5.361 406 1HD2 ASN 55 1HD2 ASN 55 0.785 13.729 -5.779 407 2HD2 ASN 55 2HD2 ASN 55 -0.805 13.656 -5.098 408 H GLU 56 H GLU 56 4.922 11.917 -3.960 409 HA GLU 56 HA GLU 56 5.731 9.799 -5.397 410 1HB GLU 56 1HB GLU 56 8.083 10.458 -4.683 411 2HB GLU 56 2HB GLU 56 7.095 11.771 -5.294 412 1HG GLU 56 1HG GLU 56 6.437 12.122 -2.753 413 2HG GLU 56 2HG GLU 56 7.873 11.173 -2.424 414 H ASP 57 H ASP 57 5.469 10.067 -1.856 415 HA ASP 57 HA ASP 57 7.042 7.822 -1.296 416 1HB ASP 57 1HB ASP 57 4.802 9.185 0.269 417 2HB ASP 57 2HB ASP 57 5.809 7.915 0.937 418 H ILE 58 H ILE 58 3.463 8.450 -1.516 419 HA ILE 58 HA ILE 58 2.406 6.098 -0.820 420 HB ILE 58 HB ILE 58 1.722 8.143 -2.861 421 1HG1 ILE 58 1HG1 ILE 58 -0.142 7.061 -0.786 422 2HG1 ILE 58 2HG1 ILE 58 1.236 8.000 -0.247 423 1HG2 ILE 58 1HG2 ILE 58 -0.302 6.938 -3.544 424 2HG2 ILE 58 2HG2 ILE 58 1.177 6.088 -4.053 425 3HG2 ILE 58 3HG2 ILE 58 0.252 5.501 -2.650 426 1HD1 ILE 58 1HD1 ILE 58 0.509 9.956 -1.315 427 2HD1 ILE 58 2HD1 ILE 58 -0.433 9.062 -2.532 428 3HD1 ILE 58 3HD1 ILE 58 -1.043 9.209 -0.866 429 H ARG 59 H ARG 59 3.850 6.835 -4.062 430 HA ARG 59 HA ARG 59 3.343 4.377 -5.153 431 1HB ARG 59 1HB ARG 59 4.103 6.260 -6.520 432 2HB ARG 59 2HB ARG 59 5.615 6.362 -5.641 433 1HG ARG 59 1HG ARG 59 6.572 4.638 -6.818 434 2HG ARG 59 2HG ARG 59 5.106 3.678 -6.802 435 1HD ARG 59 1HD ARG 59 4.143 5.237 -8.575 436 2HD ARG 59 2HD ARG 59 5.702 6.034 -8.655 437 HE ARG 59 HE ARG 59 5.022 3.461 -9.813 438 1HH1 ARG 59 1HH1 ARG 59 7.678 5.284 -8.396 439 2HH1 ARG 59 2HH1 ARG 59 8.905 4.390 -9.228 440 1HH2 ARG 59 1HH2 ARG 59 6.641 2.281 -10.912 441 2HH2 ARG 59 2HH2 ARG 59 8.312 2.669 -10.669 442 H ARG 60 H ARG 60 6.257 5.599 -3.365 443 HA ARG 60 HA ARG 60 7.843 3.428 -3.648 444 1HB ARG 60 1HB ARG 60 7.546 5.624 -1.644 445 2HB ARG 60 2HB ARG 60 8.411 4.219 -1.052 446 1HG ARG 60 1HG ARG 60 10.263 4.815 -2.216 447 2HG ARG 60 2HG ARG 60 9.364 4.795 -3.721 448 1HD ARG 60 1HD ARG 60 8.637 7.120 -3.390 449 2HD ARG 60 2HD ARG 60 9.328 7.155 -1.780 450 HE ARG 60 HE ARG 60 10.765 7.501 -4.281 451 1HH1 ARG 60 1HH1 ARG 60 11.101 6.324 -0.983 452 2HH1 ARG 60 2HH1 ARG 60 12.815 6.575 -0.932 453 1HH2 ARG 60 1HH2 ARG 60 13.025 7.833 -4.216 454 2HH2 ARG 60 2HH2 ARG 60 13.916 7.439 -2.784 455 H GLY 61 H GLY 61 4.917 3.831 -1.710 456 1HA GLY 61 1HA GLY 61 5.418 1.601 0.045 457 2HA GLY 61 2HA GLY 61 3.943 2.536 -0.114 458 H ILE 62 H ILE 62 4.326 2.034 -3.241 459 HA ILE 62 HA ILE 62 2.557 -0.196 -3.285 460 HB ILE 62 HB ILE 62 3.924 1.236 -5.565 461 1HG1 ILE 62 1HG1 ILE 62 2.593 2.677 -3.908 462 2HG1 ILE 62 2HG1 ILE 62 2.207 2.809 -5.612 463 1HG2 ILE 62 1HG2 ILE 62 1.662 0.464 -6.655 464 2HG2 ILE 62 2HG2 ILE 62 3.050 -0.645 -6.550 465 3HG2 ILE 62 3HG2 ILE 62 1.714 -0.778 -5.381 466 1HD1 ILE 62 1HD1 ILE 62 0.342 1.129 -5.269 467 2HD1 ILE 62 2HD1 ILE 62 0.687 1.186 -3.524 468 3HD1 ILE 62 3HD1 ILE 62 0.120 2.648 -4.367 469 H VAL 63 H VAL 63 5.728 0.310 -4.989 470 HA VAL 63 HA VAL 63 6.330 -2.075 -5.847 471 HB VAL 63 HB VAL 63 7.991 -0.517 -6.091 472 1HG1 VAL 63 1HG1 VAL 63 7.182 0.338 -3.469 473 2HG1 VAL 63 2HG1 VAL 63 8.955 0.186 -3.512 474 3HG1 VAL 63 3HG1 VAL 63 8.122 1.219 -4.698 475 1HG2 VAL 63 1HG2 VAL 63 9.077 -2.618 -5.671 476 2HG2 VAL 63 2HG2 VAL 63 10.031 -1.342 -4.876 477 3HG2 VAL 63 3HG2 VAL 63 8.963 -2.389 -3.909 478 H LEU 64 H LEU 64 7.087 -1.225 -2.388 479 HA LEU 64 HA LEU 64 7.752 -3.753 -1.579 480 1HB LEU 64 1HB LEU 64 6.237 -1.949 0.257 481 2HB LEU 64 2HB LEU 64 7.641 -2.950 0.574 482 HG LEU 64 HG LEU 64 7.531 -0.270 -0.813 483 1HD1 LEU 64 1HD1 LEU 64 7.938 0.398 1.276 484 2HD1 LEU 64 2HD1 LEU 64 8.313 -1.252 1.826 485 3HD1 LEU 64 3HD1 LEU 64 9.574 -0.266 1.048 486 1HD2 LEU 64 1HD2 LEU 64 9.676 -2.371 -0.950 487 2HD2 LEU 64 2HD2 LEU 64 9.015 -1.334 -2.237 488 3HD2 LEU 64 3HD2 LEU 64 10.095 -0.641 -1.002 489 H LEU 65 H LEU 65 4.488 -2.173 -1.287 490 HA LEU 65 HA LEU 65 3.173 -4.402 -0.337 491 1HB LEU 65 1HB LEU 65 2.477 -1.829 -1.561 492 2HB LEU 65 2HB LEU 65 1.281 -3.082 -1.821 493 HG LEU 65 HG LEU 65 2.287 -2.013 0.823 494 1HD1 LEU 65 1HD1 LEU 65 0.284 -0.962 1.060 495 2HD1 LEU 65 2HD1 LEU 65 0.399 -0.938 -0.716 496 3HD1 LEU 65 3HD1 LEU 65 -0.598 -2.169 0.095 497 1HD2 LEU 65 1HD2 LEU 65 1.133 -4.633 0.200 498 2HD2 LEU 65 2HD2 LEU 65 1.972 -4.059 1.661 499 3HD2 LEU 65 3HD2 LEU 65 0.234 -3.736 1.447 500 H GLU 66 H GLU 66 3.902 -3.383 -3.715 501 HA GLU 66 HA GLU 66 2.411 -5.473 -4.846 502 1HB GLU 66 1HB GLU 66 4.484 -3.516 -5.849 503 2HB GLU 66 2HB GLU 66 4.008 -4.853 -6.878 504 1HG GLU 66 1HG GLU 66 1.590 -4.166 -6.586 505 2HG GLU 66 2HG GLU 66 2.126 -2.781 -5.653 506 H GLU 67 H GLU 67 5.294 -5.469 -3.053 507 HA GLU 67 HA GLU 67 6.425 -7.679 -4.535 508 1HB GLU 67 1HB GLU 67 7.422 -5.665 -2.616 509 2HB GLU 67 2HB GLU 67 8.025 -7.276 -2.285 510 1HG GLU 67 1HG GLU 67 8.182 -6.963 -5.115 511 2HG GLU 67 2HG GLU 67 8.757 -5.452 -4.441 512 H LEU 68 H LEU 68 4.261 -7.049 -1.932 513 HA LEU 68 HA LEU 68 4.860 -9.606 -0.655 514 1HB LEU 68 1HB LEU 68 2.954 -7.431 0.213 515 2HB LEU 68 2HB LEU 68 3.436 -8.841 1.136 516 HG LEU 68 HG LEU 68 5.602 -6.997 0.231 517 1HD1 LEU 68 1HD1 LEU 68 4.995 -5.834 2.596 518 2HD1 LEU 68 2HD1 LEU 68 4.489 -5.201 1.011 519 3HD1 LEU 68 3HD1 LEU 68 3.361 -6.180 1.980 520 1HD2 LEU 68 1HD2 LEU 68 6.762 -7.796 2.051 521 2HD2 LEU 68 2HD2 LEU 68 5.286 -8.147 2.982 522 3HD2 LEU 68 3HD2 LEU 68 5.759 -9.205 1.631 523 H LEU 69 H LEU 69 2.805 -8.112 -3.006 524 HA LEU 69 HA LEU 69 0.423 -9.436 -2.651 525 1HB LEU 69 1HB LEU 69 1.801 -7.989 -4.747 526 2HB LEU 69 2HB LEU 69 0.865 -9.312 -5.412 527 HG LEU 69 HG LEU 69 -0.552 -7.437 -5.464 528 1HD1 LEU 69 1HD1 LEU 69 -1.804 -8.302 -2.994 529 2HD1 LEU 69 2HD1 LEU 69 -2.334 -8.508 -4.681 530 3HD1 LEU 69 3HD1 LEU 69 -1.215 -9.684 -3.949 531 1HD2 LEU 69 1HD2 LEU 69 -1.035 -6.058 -3.419 532 2HD2 LEU 69 2HD2 LEU 69 0.329 -6.879 -2.623 533 3HD2 LEU 69 3HD2 LEU 69 0.610 -5.889 -4.075 534 HA PRO 70 HA PRO 70 2.171 -13.084 -5.058 535 1HB PRO 70 1HB PRO 70 4.750 -13.083 -5.962 536 2HB PRO 70 2HB PRO 70 3.389 -12.589 -6.949 537 1HG PRO 70 1HG PRO 70 5.441 -10.907 -5.647 538 2HG PRO 70 2HG PRO 70 4.351 -10.493 -6.955 539 1HD PRO 70 1HD PRO 70 4.105 -9.715 -4.205 540 2HD PRO 70 2HD PRO 70 2.956 -9.400 -5.490 541 H LYS 71 H LYS 71 4.238 -11.524 -2.800 542 HA LYS 71 HA LYS 71 5.262 -14.071 -1.877 543 1HB LYS 71 1HB LYS 71 5.824 -11.183 -1.252 544 2HB LYS 71 2HB LYS 71 6.345 -12.437 -0.146 545 1HG LYS 71 1HG LYS 71 7.359 -13.603 -2.266 546 2HG LYS 71 2HG LYS 71 7.150 -12.052 -3.052 547 1HD LYS 71 1HD LYS 71 8.740 -10.982 -1.697 548 2HD LYS 71 2HD LYS 71 8.503 -12.087 -0.358 549 1HE LYS 71 1HE LYS 71 9.614 -13.912 -1.692 550 2HE LYS 71 2HE LYS 71 9.891 -12.772 -2.993 551 1HZ LYS 71 1HZ LYS 71 10.788 -11.894 -0.416 552 2HZ LYS 71 2HZ LYS 71 11.585 -13.191 -1.006 553 3HZ LYS 71 3HZ LYS 71 11.533 -11.804 -1.866 554 H GLY 72 H GLY 72 2.297 -13.063 -1.790 555 1HA GLY 72 1HA GLY 72 1.843 -13.050 1.096 556 2HA GLY 72 2HA GLY 72 0.670 -12.751 -0.171 557 H SER 73 H SER 73 -0.380 -14.371 1.582 558 HA SER 73 HA SER 73 0.330 -17.089 0.892 559 1HB SER 73 1HB SER 73 0.008 -16.386 3.299 560 2HB SER 73 2HB SER 73 -1.680 -16.071 2.948 561 HG SER 73 HG SER 73 -2.056 -18.144 3.266 562 H LYS 74 H LYS 74 -2.834 -15.409 1.543 563 HA LYS 74 HA LYS 74 -3.806 -15.867 -1.071 564 1HB LYS 74 1HB LYS 74 -3.830 -18.172 0.405 565 2HB LYS 74 2HB LYS 74 -5.415 -17.523 0.772 566 1HG LYS 74 1HG LYS 74 -5.632 -17.130 -1.812 567 2HG LYS 74 2HG LYS 74 -4.261 -18.212 -1.955 568 1HD LYS 74 1HD LYS 74 -6.400 -19.224 -0.155 569 2HD LYS 74 2HD LYS 74 -6.917 -19.012 -1.816 570 1HE LYS 74 1HE LYS 74 -4.306 -20.229 -1.880 571 2HE LYS 74 2HE LYS 74 -5.263 -21.108 -0.703 572 1HZ LYS 74 1HZ LYS 74 -5.418 -21.732 -3.157 573 2HZ LYS 74 2HZ LYS 74 -6.798 -21.673 -2.285 574 3HZ LYS 74 3HZ LYS 74 -6.419 -20.448 -3.297 575 H GLU 75 H GLU 75 -5.223 -15.965 2.276 576 HA GLU 75 HA GLU 75 -7.115 -14.001 1.516 577 1HB GLU 75 1HB GLU 75 -7.844 -14.167 3.903 578 2HB GLU 75 2HB GLU 75 -7.735 -15.731 3.118 579 1HG GLU 75 1HG GLU 75 -5.947 -16.417 4.409 580 2HG GLU 75 2HG GLU 75 -5.225 -14.822 4.455 581 H GLU 76 H GLU 76 -3.861 -13.761 2.129 582 HA GLU 76 HA GLU 76 -4.014 -11.419 3.784 583 1HB GLU 76 1HB GLU 76 -1.729 -12.997 2.551 584 2HB GLU 76 2HB GLU 76 -1.449 -11.455 3.333 585 1HG GLU 76 1HG GLU 76 -3.100 -13.462 4.846 586 2HG GLU 76 2HG GLU 76 -1.391 -13.811 4.679 587 H GLN 77 H GLN 77 -3.558 -12.344 0.368 588 HA GLN 77 HA GLN 77 -2.504 -10.003 -0.578 589 1HB GLN 77 1HB GLN 77 -4.059 -12.283 -1.707 590 2HB GLN 77 2HB GLN 77 -4.100 -10.815 -2.663 591 1HG GLN 77 1HG GLN 77 -1.492 -10.775 -2.313 592 2HG GLN 77 2HG GLN 77 -1.677 -12.452 -1.839 593 1HE2 GLN 77 1HE2 GLN 77 -0.556 -13.242 -3.575 594 2HE2 GLN 77 2HE2 GLN 77 -1.165 -13.254 -5.197 595 H ARG 78 H ARG 78 -5.812 -10.809 0.437 596 HA ARG 78 HA ARG 78 -7.122 -8.776 -0.881 597 1HB ARG 78 1HB ARG 78 -7.672 -10.286 1.706 598 2HB ARG 78 2HB ARG 78 -8.769 -9.034 1.157 599 1HG ARG 78 1HG ARG 78 -9.751 -10.828 0.077 600 2HG ARG 78 2HG ARG 78 -8.593 -10.392 -1.164 601 1HD ARG 78 1HD ARG 78 -7.480 -12.365 -0.930 602 2HD ARG 78 2HD ARG 78 -7.325 -12.145 0.801 603 HE ARG 78 HE ARG 78 -9.158 -13.906 -0.466 604 1HH1 ARG 78 1HH1 ARG 78 -9.175 -11.465 2.068 605 2HH1 ARG 78 2HH1 ARG 78 -10.486 -12.191 2.936 606 1HH2 ARG 78 1HH2 ARG 78 -10.888 -14.864 0.678 607 2HH2 ARG 78 2HH2 ARG 78 -11.467 -14.138 2.139 608 H ASP 79 H ASP 79 -5.096 -8.825 2.030 609 HA ASP 79 HA ASP 79 -6.041 -6.328 2.985 610 1HB ASP 79 1HB ASP 79 -3.516 -7.922 3.635 611 2HB ASP 79 2HB ASP 79 -4.051 -6.513 4.530 612 H TYR 80 H TYR 80 -3.700 -7.523 0.651 613 HA TYR 80 HA TYR 80 -2.025 -5.185 0.718 614 1HB TYR 80 1HB TYR 80 -2.425 -7.614 -1.136 615 2HB TYR 80 2HB TYR 80 -1.147 -6.442 -1.388 616 HD1 TYR 80 1HD TYR 80 -0.666 -9.374 -1.017 617 HD2 TYR 80 2HD TYR 80 -0.863 -6.191 1.836 618 HE1 TYR 80 1HE TYR 80 0.846 -10.680 0.556 619 HE2 TYR 80 2HE TYR 80 0.649 -7.508 3.399 620 HH TYR 80 HH TYR 80 1.312 -10.796 2.918 621 H VAL 81 H VAL 81 -3.891 -6.712 -2.002 622 HA VAL 81 HA VAL 81 -3.893 -4.670 -3.727 623 HB VAL 81 HB VAL 81 -6.276 -6.410 -3.063 624 1HG1 VAL 81 1HG1 VAL 81 -6.399 -6.157 -5.719 625 2HG1 VAL 81 2HG1 VAL 81 -7.170 -4.990 -4.619 626 3HG1 VAL 81 3HG1 VAL 81 -5.591 -4.615 -5.351 627 1HG2 VAL 81 1HG2 VAL 81 -3.639 -7.017 -4.233 628 2HG2 VAL 81 2HG2 VAL 81 -4.851 -8.097 -3.502 629 3HG2 VAL 81 3HG2 VAL 81 -5.021 -7.588 -5.198 630 H PHE 82 H PHE 82 -6.157 -5.052 -0.927 631 HA PHE 82 HA PHE 82 -7.783 -2.929 -1.351 632 1HB PHE 82 1HB PHE 82 -7.850 -4.617 0.533 633 2HB PHE 82 2HB PHE 82 -6.410 -3.899 1.228 634 HD1 PHE 82 1HD PHE 82 -7.323 -3.314 3.339 635 HD2 PHE 82 2HD PHE 82 -9.208 -1.966 -0.215 636 HE1 PHE 82 1HE PHE 82 -8.752 -1.754 4.690 637 HE2 PHE 82 2HE PHE 82 -10.638 -0.406 1.135 638 HZ PHE 82 HZ PHE 82 -10.392 -0.318 3.571 639 H TYR 83 H TYR 83 -4.439 -2.911 -0.012 640 HA TYR 83 HA TYR 83 -4.559 -0.086 0.522 641 1HB TYR 83 1HB TYR 83 -2.518 -2.374 0.552 642 2HB TYR 83 2HB TYR 83 -1.974 -0.729 0.812 643 HD1 TYR 83 1HD TYR 83 -1.176 -2.037 2.982 644 HD2 TYR 83 2HD TYR 83 -5.240 -1.020 2.114 645 HE1 TYR 83 1HE TYR 83 -1.759 -2.233 5.449 646 HE2 TYR 83 2HE TYR 83 -5.810 -1.221 4.584 647 HH TYR 83 HH TYR 83 -4.753 -1.117 6.687 648 H LEU 84 H LEU 84 -2.785 -2.263 -1.785 649 HA LEU 84 HA LEU 84 -1.318 -0.455 -3.128 650 1HB LEU 84 1HB LEU 84 -2.786 -2.918 -4.000 651 2HB LEU 84 2HB LEU 84 -1.911 -1.958 -5.178 652 HG LEU 84 HG LEU 84 0.098 -2.199 -3.525 653 1HD1 LEU 84 1HD1 LEU 84 0.004 -4.465 -2.374 654 2HD1 LEU 84 2HD1 LEU 84 -0.921 -3.144 -1.621 655 3HD1 LEU 84 3HD1 LEU 84 -1.761 -4.385 -2.583 656 1HD2 LEU 84 1HD2 LEU 84 -0.177 -3.177 -5.838 657 2HD2 LEU 84 2HD2 LEU 84 0.888 -4.080 -4.733 658 3HD2 LEU 84 3HD2 LEU 84 -0.764 -4.662 -5.051 659 H ALA 85 H ALA 85 -4.856 -0.903 -3.270 660 HA ALA 85 HA ALA 85 -5.152 0.868 -5.500 661 1HB ALA 85 1HB ALA 85 -6.673 -1.073 -4.874 662 2HB ALA 85 2HB ALA 85 -7.257 -0.076 -3.521 663 3HB ALA 85 3HB ALA 85 -7.499 0.469 -5.198 664 H VAL 86 H VAL 86 -5.681 1.019 -1.918 665 HA VAL 86 HA VAL 86 -6.679 3.578 -1.795 666 HB VAL 86 HB VAL 86 -5.136 1.790 0.037 667 1HG1 VAL 86 1HG1 VAL 86 -5.913 4.641 0.738 668 2HG1 VAL 86 2HG1 VAL 86 -5.230 3.426 1.846 669 3HG1 VAL 86 3HG1 VAL 86 -4.252 4.050 0.496 670 1HG2 VAL 86 1HG2 VAL 86 -7.151 1.606 1.209 671 2HG2 VAL 86 2HG2 VAL 86 -7.788 3.133 0.552 672 3HG2 VAL 86 3HG2 VAL 86 -7.672 1.695 -0.491 673 H GLY 87 H GLY 87 -3.225 2.471 -1.685 674 1HA GLY 87 1HA GLY 87 -2.106 5.042 -1.468 675 2HA GLY 87 2HA GLY 87 -1.303 3.586 -2.024 676 H ASN 88 H ASN 88 -2.169 2.832 -4.363 677 HA ASN 88 HA ASN 88 -1.188 4.446 -6.195 678 1HB ASN 88 1HB ASN 88 -3.359 2.370 -6.241 679 2HB ASN 88 2HB ASN 88 -3.250 3.380 -7.670 680 1HD2 ASN 88 1HD2 ASN 88 -2.316 0.554 -6.421 681 2HD2 ASN 88 2HD2 ASN 88 -0.814 0.272 -7.236 682 H TYR 89 H TYR 89 -4.698 4.300 -5.221 683 HA TYR 89 HA TYR 89 -5.765 6.175 -6.854 684 1HB TYR 89 1HB TYR 89 -7.173 5.001 -5.291 685 2HB TYR 89 2HB TYR 89 -6.089 5.309 -3.950 686 HD1 TYR 89 1HD TYR 89 -6.641 6.957 -2.393 687 HD2 TYR 89 2HD TYR 89 -8.380 7.127 -6.297 688 HE1 TYR 89 1HE TYR 89 -8.109 8.900 -1.661 689 HE2 TYR 89 2HE TYR 89 -9.842 9.069 -5.554 690 HH TYR 89 HH TYR 89 -10.627 9.750 -2.721 691 H ARG 90 H ARG 90 -4.561 6.914 -3.498 692 HA ARG 90 HA ARG 90 -4.810 9.608 -3.726 693 1HB ARG 90 1HB ARG 90 -3.915 7.847 -1.789 694 2HB ARG 90 2HB ARG 90 -2.421 8.673 -2.191 695 1HG ARG 90 1HG ARG 90 -4.918 10.318 -1.721 696 2HG ARG 90 2HG ARG 90 -4.066 9.661 -0.338 697 1HD ARG 90 1HD ARG 90 -2.222 11.035 -0.636 698 2HD ARG 90 2HD ARG 90 -2.341 11.002 -2.385 699 HE ARG 90 HE ARG 90 -3.621 12.920 -0.588 700 1HH1 ARG 90 1HH1 ARG 90 -3.802 11.406 -3.759 701 2HH1 ARG 90 2HH1 ARG 90 -4.713 12.698 -4.467 702 1HH2 ARG 90 1HH2 ARG 90 -4.823 14.626 -1.520 703 2HH2 ARG 90 2HH2 ARG 90 -5.298 14.542 -3.184 704 H LEU 91 H LEU 91 -2.368 7.427 -5.058 705 HA LEU 91 HA LEU 91 -0.497 9.561 -5.580 706 1HB LEU 91 1HB LEU 91 0.688 7.692 -5.141 707 2HB LEU 91 2HB LEU 91 -0.547 6.612 -5.758 708 HG LEU 91 HG LEU 91 0.125 7.210 -8.081 709 1HD1 LEU 91 1HD1 LEU 91 2.726 8.319 -7.312 710 2HD1 LEU 91 2HD1 LEU 91 1.599 8.808 -8.599 711 3HD1 LEU 91 3HD1 LEU 91 1.355 9.387 -6.933 712 1HD2 LEU 91 1HD2 LEU 91 0.991 5.178 -7.311 713 2HD2 LEU 91 2HD2 LEU 91 2.410 6.050 -7.940 714 3HD2 LEU 91 3HD2 LEU 91 2.118 5.974 -6.186 715 H LYS 92 H LYS 92 -3.456 9.026 -6.757 716 HA LYS 92 HA LYS 92 -4.479 9.711 -8.597 717 1HB LYS 92 1HB LYS 92 -1.749 10.552 -9.618 718 2HB LYS 92 2HB LYS 92 -3.292 11.003 -10.314 719 1HG LYS 92 1HG LYS 92 -3.528 11.642 -7.560 720 2HG LYS 92 2HG LYS 92 -1.907 12.141 -7.997 721 1HD LYS 92 1HD LYS 92 -4.055 12.861 -9.955 722 2HD LYS 92 2HD LYS 92 -4.130 13.685 -8.409 723 1HE LYS 92 1HE LYS 92 -1.440 13.906 -8.953 724 2HE LYS 92 2HE LYS 92 -2.089 13.907 -10.580 725 1HZ LYS 92 1HZ LYS 92 -2.381 16.057 -10.125 726 2HZ LYS 92 2HZ LYS 92 -3.749 15.571 -9.378 727 3HZ LYS 92 3HZ LYS 92 -2.400 15.862 -8.503 728 H GLU 93 H GLU 93 -3.383 6.985 -8.104 729 HA GLU 93 HA GLU 93 -3.075 6.150 -10.880 730 1HB GLU 93 1HB GLU 93 -2.165 4.924 -8.258 731 2HB GLU 93 2HB GLU 93 -2.283 3.948 -9.709 732 1HG GLU 93 1HG GLU 93 -0.755 6.581 -9.698 733 2HG GLU 93 2HG GLU 93 0.005 5.087 -9.188 734 H TYR 94 H TYR 94 -5.451 6.407 -11.156 735 HA TYR 94 HA TYR 94 -7.214 4.840 -9.567 736 1HB TYR 94 1HB TYR 94 -7.658 5.844 -12.425 737 2HB TYR 94 2HB TYR 94 -8.829 5.791 -11.122 738 HD1 TYR 94 1HD TYR 94 -7.177 7.108 -8.947 739 HD2 TYR 94 2HD TYR 94 -7.761 8.115 -13.063 740 HE1 TYR 94 1HE TYR 94 -6.697 9.550 -8.426 741 HE2 TYR 94 2HE TYR 94 -7.280 10.553 -12.528 742 HH TYR 94 HH TYR 94 -6.538 11.555 -9.197 743 H GLU 95 H GLU 95 -6.261 4.618 -13.075 744 HA GLU 95 HA GLU 95 -7.467 2.413 -13.801 745 1HB GLU 95 1HB GLU 95 -4.606 3.273 -14.340 746 2HB GLU 95 2HB GLU 95 -5.277 1.851 -15.115 747 1HG GLU 95 1HG GLU 95 -6.651 4.573 -15.212 748 2HG GLU 95 2HG GLU 95 -5.484 4.065 -16.416 749 H LYS 96 H LYS 96 -4.166 2.285 -12.258 750 HA LYS 96 HA LYS 96 -4.154 -0.476 -11.947 751 1HB LYS 96 1HB LYS 96 -2.681 1.749 -10.521 752 2HB LYS 96 2HB LYS 96 -2.374 0.054 -10.202 753 1HG LYS 96 1HG LYS 96 -1.869 -0.311 -12.627 754 2HG LYS 96 2HG LYS 96 -2.176 1.384 -12.947 755 1HD LYS 96 1HD LYS 96 0.079 1.614 -12.611 756 2HD LYS 96 2HD LYS 96 -0.356 1.624 -10.914 757 1HE LYS 96 1HE LYS 96 0.393 -0.555 -10.556 758 2HE LYS 96 2HE LYS 96 0.017 -1.073 -12.187 759 1HZ LYS 96 1HZ LYS 96 2.166 0.841 -11.649 760 2HZ LYS 96 2HZ LYS 96 2.421 -0.772 -11.617 761 3HZ LYS 96 3HZ LYS 96 1.926 -0.050 -12.996 762 H ALA 97 H ALA 97 -4.916 2.113 -9.510 763 HA ALA 97 HA ALA 97 -5.539 0.610 -7.379 764 1HB ALA 97 1HB ALA 97 -6.681 3.142 -8.540 765 2HB ALA 97 2HB ALA 97 -7.433 2.436 -7.089 766 3HB ALA 97 3HB ALA 97 -5.717 2.905 -7.063 767 H LEU 98 H LEU 98 -7.912 1.495 -9.994 768 HA LEU 98 HA LEU 98 -9.990 -0.045 -9.044 769 1HB LEU 98 1HB LEU 98 -9.221 0.876 -11.806 770 2HB LEU 98 2HB LEU 98 -10.685 -0.039 -11.507 771 HG LEU 98 HG LEU 98 -11.734 1.868 -11.093 772 1HD1 LEU 98 1HD1 LEU 98 -11.410 1.329 -8.765 773 2HD1 LEU 98 2HD1 LEU 98 -9.817 2.124 -8.760 774 3HD1 LEU 98 3HD1 LEU 98 -11.294 3.092 -8.979 775 1HD2 LEU 98 1HD2 LEU 98 -9.737 2.861 -12.395 776 2HD2 LEU 98 2HD2 LEU 98 -10.790 3.959 -11.472 777 3HD2 LEU 98 3HD2 LEU 98 -9.208 3.479 -10.812 778 H LYS 99 H LYS 99 -7.714 -0.935 -11.740 779 HA LYS 99 HA LYS 99 -8.467 -3.474 -12.143 780 1HB LYS 99 1HB LYS 99 -5.874 -2.026 -12.313 781 2HB LYS 99 2HB LYS 99 -5.794 -3.775 -12.379 782 1HG LYS 99 1HG LYS 99 -7.866 -3.407 -14.094 783 2HG LYS 99 2HG LYS 99 -7.078 -1.856 -14.304 784 1HD LYS 99 1HD LYS 99 -4.873 -3.355 -14.523 785 2HD LYS 99 2HD LYS 99 -6.019 -4.620 -14.921 786 1HE LYS 99 1HE LYS 99 -5.581 -3.720 -17.043 787 2HE LYS 99 2HE LYS 99 -7.029 -2.841 -16.597 788 1HZ LYS 99 1HZ LYS 99 -5.867 -0.999 -16.773 789 2HZ LYS 99 2HZ LYS 99 -4.865 -1.463 -15.570 790 3HZ LYS 99 3HZ LYS 99 -4.500 -1.822 -17.119 791 H TYR 100 H TYR 100 -6.889 -2.163 -9.261 792 HA TYR 100 HA TYR 100 -6.324 -4.816 -8.237 793 1HB TYR 100 1HB TYR 100 -5.705 -1.939 -7.755 794 2HB TYR 100 2HB TYR 100 -6.041 -2.782 -6.256 795 HD1 TYR 100 1HD TYR 100 -4.901 -5.504 -7.022 796 HD2 TYR 100 2HD TYR 100 -3.382 -1.535 -7.515 797 HE1 TYR 100 1HE TYR 100 -2.523 -6.403 -7.000 798 HE2 TYR 100 2HE TYR 100 -1.010 -2.448 -7.491 799 HH TYR 100 HH TYR 100 0.001 -4.851 -8.140 800 H VAL 101 H VAL 101 -8.555 -2.041 -7.644 801 HA VAL 101 HA VAL 101 -9.770 -3.303 -5.398 802 HB VAL 101 HB VAL 101 -9.834 -0.780 -6.786 803 1HG1 VAL 101 1HG1 VAL 101 -12.254 -0.259 -6.299 804 2HG1 VAL 101 2HG1 VAL 101 -11.982 -1.358 -7.671 805 3HG1 VAL 101 3HG1 VAL 101 -12.523 -2.007 -6.105 806 1HG2 VAL 101 1HG2 VAL 101 -10.706 -0.020 -4.549 807 2HG2 VAL 101 2HG2 VAL 101 -10.720 -1.727 -4.044 808 3HG2 VAL 101 3HG2 VAL 101 -9.185 -0.941 -4.484 809 H ARG 102 H ARG 102 -10.771 -2.698 -8.838 810 HA ARG 102 HA ARG 102 -13.176 -3.946 -8.690 811 1HB ARG 102 1HB ARG 102 -11.344 -4.163 -11.120 812 2HB ARG 102 2HB ARG 102 -13.093 -4.059 -11.110 813 1HG ARG 102 1HG ARG 102 -12.210 -1.751 -9.706 814 2HG ARG 102 2HG ARG 102 -11.116 -1.901 -11.068 815 1HD ARG 102 1HD ARG 102 -14.153 -2.047 -11.360 816 2HD ARG 102 2HD ARG 102 -13.255 -0.551 -11.508 817 HE ARG 102 HE ARG 102 -12.065 -2.545 -13.208 818 1HH1 ARG 102 1HH1 ARG 102 -14.917 -0.495 -12.975 819 2HH1 ARG 102 2HH1 ARG 102 -15.174 -0.439 -14.687 820 1HH2 ARG 102 1HH2 ARG 102 -12.403 -2.470 -15.468 821 2HH2 ARG 102 2HH2 ARG 102 -13.734 -1.570 -16.114 822 H GLY 103 H GLY 103 -9.934 -5.339 -9.549 823 1HA GLY 103 1HA GLY 103 -10.838 -7.973 -9.996 824 2HA GLY 103 2HA GLY 103 -9.195 -7.461 -9.667 825 H LEU 104 H LEU 104 -9.828 -6.156 -7.067 826 HA LEU 104 HA LEU 104 -9.582 -8.468 -5.446 827 1HB LEU 104 1HB LEU 104 -8.345 -6.642 -4.752 828 2HB LEU 104 2HB LEU 104 -9.659 -5.510 -5.001 829 HG LEU 104 HG LEU 104 -10.737 -7.042 -3.039 830 1HD1 LEU 104 1HD1 LEU 104 -8.275 -6.864 -1.611 831 2HD1 LEU 104 2HD1 LEU 104 -9.275 -8.299 -1.948 832 3HD1 LEU 104 3HD1 LEU 104 -7.998 -7.815 -3.090 833 1HD2 LEU 104 1HD2 LEU 104 -8.969 -4.969 -1.948 834 2HD2 LEU 104 2HD2 LEU 104 -9.931 -4.437 -3.347 835 3HD2 LEU 104 3HD2 LEU 104 -10.742 -5.110 -1.912 836 H LEU 105 H LEU 105 -12.210 -6.156 -6.237 837 HA LEU 105 HA LEU 105 -14.015 -6.828 -4.295 838 1HB LEU 105 1HB LEU 105 -14.167 -5.805 -7.081 839 2HB LEU 105 2HB LEU 105 -15.652 -6.398 -6.366 840 HG LEU 105 HG LEU 105 -13.896 -4.291 -5.081 841 1HD1 LEU 105 1HD1 LEU 105 -14.755 -3.530 -7.270 842 2HD1 LEU 105 2HD1 LEU 105 -16.412 -3.865 -6.715 843 3HD1 LEU 105 3HD1 LEU 105 -15.436 -2.617 -5.902 844 1HD2 LEU 105 1HD2 LEU 105 -15.951 -3.812 -3.760 845 2HD2 LEU 105 2HD2 LEU 105 -16.707 -5.250 -4.486 846 3HD2 LEU 105 3HD2 LEU 105 -15.261 -5.426 -3.461 847 H GLN 106 H GLN 106 -12.828 -8.735 -7.010 848 HA GLN 106 HA GLN 106 -14.989 -10.495 -7.145 849 1HB GLN 106 1HB GLN 106 -12.473 -10.136 -8.436 850 2HB GLN 106 2HB GLN 106 -12.473 -11.780 -7.830 851 1HG GLN 106 1HG GLN 106 -15.079 -11.175 -8.980 852 2HG GLN 106 2HG GLN 106 -13.827 -10.772 -10.136 853 1HE2 GLN 106 1HE2 GLN 106 -15.515 -12.745 -10.747 854 2HE2 GLN 106 2HE2 GLN 106 -14.762 -14.303 -10.674 855 H THR 107 H THR 107 -12.347 -10.101 -4.875 856 HA THR 107 HA THR 107 -13.071 -12.681 -3.646 857 HB THR 107 HB THR 107 -10.635 -12.082 -4.690 858 HG1 THR 107 1HG THR 107 -10.130 -13.862 -3.385 859 1HG2 THR 107 1HG2 THR 107 -10.433 -11.299 -1.739 860 2HG2 THR 107 2HG2 THR 107 -9.111 -11.356 -2.929 861 3HG2 THR 107 3HG2 THR 107 -10.375 -10.110 -3.063 862 H GLU 108 H GLU 108 -13.278 -9.292 -3.438 863 HA GLU 108 HA GLU 108 -13.905 -9.598 -0.615 864 1HB GLU 108 1HB GLU 108 -12.309 -7.308 -1.847 865 2HB GLU 108 2HB GLU 108 -12.933 -7.303 -0.210 866 1HG GLU 108 1HG GLU 108 -11.045 -9.441 -1.304 867 2HG GLU 108 2HG GLU 108 -10.510 -8.037 -0.403 868 HA PRO 109 HA PRO 109 -17.192 -7.566 -3.059 869 1HB PRO 109 1HB PRO 109 -19.172 -9.415 -2.705 870 2HB PRO 109 2HB PRO 109 -18.138 -9.378 -4.118 871 1HG PRO 109 1HG PRO 109 -18.070 -11.237 -1.820 872 2HG PRO 109 2HG PRO 109 -17.353 -11.427 -3.409 873 1HD PRO 109 1HD PRO 109 -15.990 -10.736 -0.981 874 2HD PRO 109 2HD PRO 109 -15.295 -10.813 -2.588 875 H GLN 110 H GLN 110 -17.481 -9.309 -0.025 876 HA GLN 110 HA GLN 110 -19.530 -7.591 0.875 877 1HB GLN 110 1HB GLN 110 -19.406 -8.823 2.931 878 2HB GLN 110 2HB GLN 110 -19.114 -9.979 1.647 879 1HG GLN 110 1HG GLN 110 -16.580 -9.495 2.016 880 2HG GLN 110 2HG GLN 110 -17.066 -8.702 3.502 881 1HE2 GLN 110 1HE2 GLN 110 -16.028 -11.518 2.194 882 2HE2 GLN 110 2HE2 GLN 110 -16.589 -12.668 3.361 883 H ASN 111 H ASN 111 -16.217 -7.122 0.374 884 HA ASN 111 HA ASN 111 -15.751 -5.555 2.706 885 1HB ASN 111 1HB ASN 111 -13.941 -6.842 1.469 886 2HB ASN 111 2HB ASN 111 -14.133 -5.751 0.111 887 1HD2 ASN 111 1HD2 ASN 111 -11.998 -5.085 0.285 888 2HD2 ASN 111 2HD2 ASN 111 -11.449 -3.985 1.504 889 H ASN 112 H ASN 112 -17.676 -4.072 2.308 890 HA ASN 112 HA ASN 112 -18.239 -2.644 0.160 891 1HB ASN 112 1HB ASN 112 -18.007 -1.322 2.908 892 2HB ASN 112 2HB ASN 112 -19.155 -0.929 1.643 893 1HD2 ASN 112 1HD2 ASN 112 -20.987 -2.081 1.389 894 2HD2 ASN 112 2HD2 ASN 112 -21.508 -3.366 2.428 895 H GLN 113 H GLN 113 -15.485 -2.184 2.419 896 HA GLN 113 HA GLN 113 -14.668 0.305 1.810 897 1HB GLN 113 1HB GLN 113 -13.060 -2.218 2.359 898 2HB GLN 113 2HB GLN 113 -12.292 -0.650 2.208 899 1HG GLN 113 1HG GLN 113 -12.813 -0.198 4.365 900 2HG GLN 113 2HG GLN 113 -14.517 -0.269 3.960 901 1HE2 GLN 113 1HE2 GLN 113 -11.960 -1.686 5.637 902 2HE2 GLN 113 2HE2 GLN 113 -12.721 -3.149 6.167 903 H ALA 114 H ALA 114 -14.316 -2.675 -0.147 904 HA ALA 114 HA ALA 114 -12.596 -1.421 -2.061 905 1HB ALA 114 1HB ALA 114 -14.176 -3.918 -2.617 906 2HB ALA 114 2HB ALA 114 -12.485 -3.530 -3.017 907 3HB ALA 114 3HB ALA 114 -12.929 -3.960 -1.348 908 H LYS 115 H LYS 115 -16.100 -2.115 -1.680 909 HA LYS 115 HA LYS 115 -16.839 -1.446 -4.290 910 1HB LYS 115 1HB LYS 115 -18.180 -1.866 -1.680 911 2HB LYS 115 2HB LYS 115 -19.052 -0.861 -2.820 912 1HG LYS 115 1HG LYS 115 -18.516 -2.731 -4.576 913 2HG LYS 115 2HG LYS 115 -18.108 -3.727 -3.193 914 1HD LYS 115 1HD LYS 115 -20.300 -3.932 -2.515 915 2HD LYS 115 2HD LYS 115 -20.699 -2.279 -2.937 916 1HE LYS 115 1HE LYS 115 -20.294 -3.295 -5.445 917 2HE LYS 115 2HE LYS 115 -20.816 -4.753 -4.626 918 1HZ LYS 115 1HZ LYS 115 -22.855 -3.987 -4.812 919 2HZ LYS 115 2HZ LYS 115 -22.503 -2.758 -3.796 920 3HZ LYS 115 3HZ LYS 115 -22.353 -2.552 -5.409 921 H GLU 116 H GLU 116 -16.779 0.526 -1.242 922 HA GLU 116 HA GLU 116 -17.661 2.848 -2.401 923 1HB GLU 116 1HB GLU 116 -16.307 2.046 0.091 924 2HB GLU 116 2HB GLU 116 -15.890 3.676 -0.398 925 1HG GLU 116 1HG GLU 116 -18.525 3.895 -0.805 926 2HG GLU 116 2HG GLU 116 -18.602 2.544 0.308 927 H LEU 117 H LEU 117 -14.234 1.813 -1.746 928 HA LEU 117 HA LEU 117 -12.860 3.890 -2.707 929 1HB LEU 117 1HB LEU 117 -12.378 1.181 -2.170 930 2HB LEU 117 2HB LEU 117 -11.758 1.444 -3.788 931 HG LEU 117 HG LEU 117 -10.934 2.832 -1.234 932 1HD1 LEU 117 1HD1 LEU 117 -8.685 1.980 -2.608 933 2HD1 LEU 117 2HD1 LEU 117 -9.454 1.168 -1.223 934 3HD1 LEU 117 3HD1 LEU 117 -9.865 0.677 -2.883 935 1HD2 LEU 117 1HD2 LEU 117 -11.161 4.147 -3.648 936 2HD2 LEU 117 2HD2 LEU 117 -10.098 4.608 -2.296 937 3HD2 LEU 117 3HD2 LEU 117 -9.461 3.622 -3.634 938 H GLU 118 H GLU 118 -13.995 1.153 -4.820 939 HA GLU 118 HA GLU 118 -13.228 2.006 -7.187 940 1HB GLU 118 1HB GLU 118 -14.793 0.024 -6.485 941 2HB GLU 118 2HB GLU 118 -16.110 1.125 -6.843 942 1HG GLU 118 1HG GLU 118 -14.043 1.092 -8.961 943 2HG GLU 118 2HG GLU 118 -14.768 -0.482 -8.700 944 H ARG 119 H ARG 119 -16.267 3.147 -5.553 945 HA ARG 119 HA ARG 119 -16.863 4.959 -7.588 946 1HB ARG 119 1HB ARG 119 -17.823 4.418 -4.788 947 2HB ARG 119 2HB ARG 119 -18.210 5.993 -5.450 948 1HG ARG 119 1HG ARG 119 -18.756 4.115 -7.532 949 2HG ARG 119 2HG ARG 119 -19.406 3.408 -6.066 950 1HD ARG 119 1HD ARG 119 -20.307 5.951 -5.723 951 2HD ARG 119 2HD ARG 119 -20.211 5.941 -7.473 952 HE ARG 119 HE ARG 119 -22.063 4.381 -5.811 953 1HH1 ARG 119 1HH1 ARG 119 -20.555 4.680 -8.976 954 2HH1 ARG 119 2HH1 ARG 119 -21.787 3.775 -9.790 955 1HH2 ARG 119 1HH2 ARG 119 -23.689 3.187 -6.885 956 2HH2 ARG 119 2HH2 ARG 119 -23.582 2.920 -8.593 957 H LEU 120 H LEU 120 -15.026 5.139 -4.509 958 HA LEU 120 HA LEU 120 -14.836 7.896 -4.295 959 1HB LEU 120 1HB LEU 120 -12.908 5.724 -3.466 960 2HB LEU 120 2HB LEU 120 -12.795 7.399 -2.964 961 HG LEU 120 HG LEU 120 -15.122 5.552 -2.360 962 1HD1 LEU 120 1HD1 LEU 120 -13.311 6.581 -0.228 963 2HD1 LEU 120 2HD1 LEU 120 -14.227 5.057 -0.327 964 3HD1 LEU 120 3HD1 LEU 120 -12.722 5.253 -1.257 965 1HD2 LEU 120 1HD2 LEU 120 -15.981 7.748 -2.427 966 2HD2 LEU 120 2HD2 LEU 120 -15.696 7.392 -0.706 967 3HD2 LEU 120 3HD2 LEU 120 -14.553 8.420 -1.602 968 H ILE 121 H ILE 121 -12.547 5.550 -5.866 969 HA ILE 121 HA ILE 121 -10.874 7.558 -6.875 970 HB ILE 121 HB ILE 121 -11.309 4.745 -7.884 971 1HG1 ILE 121 1HG1 ILE 121 -9.000 5.205 -6.156 972 2HG1 ILE 121 2HG1 ILE 121 -10.512 5.527 -5.329 973 1HG2 ILE 121 1HG2 ILE 121 -9.731 5.161 -9.383 974 2HG2 ILE 121 2HG2 ILE 121 -9.681 6.860 -8.856 975 3HG2 ILE 121 3HG2 ILE 121 -8.610 5.660 -8.093 976 1HD1 ILE 121 1HD1 ILE 121 -9.456 3.038 -5.540 977 2HD1 ILE 121 2HD1 ILE 121 -11.210 3.329 -5.437 978 3HD1 ILE 121 3HD1 ILE 121 -10.444 3.055 -7.021 979 H ASP 122 H ASP 122 -13.599 5.689 -8.366 980 HA ASP 122 HA ASP 122 -13.539 6.510 -10.859 981 1HB ASP 122 1HB ASP 122 -15.369 5.195 -9.584 982 2HB ASP 122 2HB ASP 122 -16.094 6.747 -9.213 983 H LYS 123 H LYS 123 -15.218 8.355 -8.188 984 HA LYS 123 HA LYS 123 -15.819 10.602 -9.688 985 1HB LYS 123 1HB LYS 123 -15.427 10.137 -6.729 986 2HB LYS 123 2HB LYS 123 -15.863 11.711 -7.364 987 1HG LYS 123 1HG LYS 123 -17.603 9.892 -8.676 988 2HG LYS 123 2HG LYS 123 -17.534 9.329 -7.018 989 1HD LYS 123 1HD LYS 123 -17.831 11.946 -6.476 990 2HD LYS 123 2HD LYS 123 -18.521 11.974 -8.086 991 1HE LYS 123 1HE LYS 123 -19.469 9.762 -6.295 992 2HE LYS 123 2HE LYS 123 -19.965 11.380 -5.842 993 1HZ LYS 123 1HZ LYS 123 -20.989 11.679 -7.903 994 2HZ LYS 123 2HZ LYS 123 -20.280 10.369 -8.575 995 3HZ LYS 123 3HZ LYS 123 -21.433 10.180 -7.434 996 H ALA 124 H ALA 124 -12.886 9.767 -7.759 997 HA ALA 124 HA ALA 124 -11.569 12.142 -7.827 998 1HB ALA 124 1HB ALA 124 -9.873 9.812 -8.466 999 2HB ALA 124 2HB ALA 124 -9.857 10.883 -7.044 1000 3HB ALA 124 3HB ALA 124 -11.010 9.529 -7.127 1001 H MET 125 H MET 125 -11.551 9.567 -10.389 1002 HA MET 125 HA MET 125 -9.860 10.692 -12.134 1003 1HB MET 125 1HB MET 125 -12.540 9.299 -12.677 1004 2HB MET 125 2HB MET 125 -11.325 9.553 -13.914 1005 1HG MET 125 1HG MET 125 -9.726 8.129 -12.777 1006 2HG MET 125 2HG MET 125 -10.686 8.099 -11.311 1007 1HE MET 125 1HE MET 125 -10.175 4.809 -13.174 1008 2HE MET 125 2HE MET 125 -10.431 5.598 -14.749 1009 3HE MET 125 3HE MET 125 -9.333 6.331 -13.554 1010 H LYS 126 H LYS 126 -13.444 11.312 -12.015 1011 HA LYS 126 HA LYS 126 -13.388 13.254 -14.036 1012 1HB LYS 126 1HB LYS 126 -15.316 12.046 -12.238 1013 2HB LYS 126 2HB LYS 126 -15.590 13.772 -12.362 1014 1HG LYS 126 1HG LYS 126 -14.978 12.535 -14.976 1015 2HG LYS 126 2HG LYS 126 -16.401 11.843 -14.224 1016 1HD LYS 126 1HD LYS 126 -16.037 14.858 -14.369 1017 2HD LYS 126 2HD LYS 126 -16.685 13.970 -15.734 1018 1HE LYS 126 1HE LYS 126 -18.403 12.954 -14.088 1019 2HE LYS 126 2HE LYS 126 -17.851 14.139 -12.920 1020 1HZ LYS 126 1HZ LYS 126 -18.578 15.079 -15.566 1021 2HZ LYS 126 2HZ LYS 126 -19.782 14.659 -14.546 1022 3HZ LYS 126 3HZ LYS 126 -18.724 15.828 -14.123 1023 H LYS 127 H LYS 127 -12.849 13.347 -10.509 1024 HA LYS 127 HA LYS 127 -12.979 16.179 -10.345 1025 1HB LYS 127 1HB LYS 127 -11.779 14.123 -8.465 1026 2HB LYS 127 2HB LYS 127 -12.029 15.816 -8.087 1027 1HG LYS 127 1HG LYS 127 -14.395 15.615 -8.125 1028 2HG LYS 127 2HG LYS 127 -14.357 14.152 -9.089 1029 1HD LYS 127 1HD LYS 127 -14.053 12.791 -7.261 1030 2HD LYS 127 2HD LYS 127 -12.946 13.906 -6.484 1031 1HE LYS 127 1HE LYS 127 -15.408 15.272 -6.420 1032 2HE LYS 127 2HE LYS 127 -15.857 13.606 -6.119 1033 1HZ LYS 127 1HZ LYS 127 -14.375 13.517 -4.311 1034 2HZ LYS 127 2HZ LYS 127 -13.682 14.950 -4.678 1035 3HZ LYS 127 3HZ LYS 127 -15.221 14.902 -4.132 1036 H SER 128 H SER 128 -11.652 16.644 -12.304 1037 HA SER 128 HA SER 128 -9.109 17.420 -11.529 1038 1HB SER 128 1HB SER 128 -9.282 14.716 -12.627 1039 2HB SER 128 2HB SER 128 -8.295 15.734 -13.657 1040 HG SER 128 HG SER 128 -7.824 14.829 -11.024 1041 H GLY 129 H GLY 129 -7.798 18.078 -13.722 1042 1HA GLY 129 1HA GLY 129 -9.510 19.839 -15.128 1043 2HA GLY 129 2HA GLY 129 -7.821 19.508 -15.461 1044 HA PRO 130 HA PRO 130 -10.445 17.583 -18.720 1045 1HB PRO 130 1HB PRO 130 -9.888 19.245 -20.816 1046 2HB PRO 130 2HB PRO 130 -11.323 19.404 -19.823 1047 1HG PRO 130 1HG PRO 130 -8.875 21.062 -19.821 1048 2HG PRO 130 2HG PRO 130 -10.457 21.438 -19.166 1049 1HD PRO 130 1HD PRO 130 -8.130 20.646 -17.687 1050 2HD PRO 130 2HD PRO 130 -9.739 20.910 -17.046 1051 H SER 131 H SER 131 -9.814 16.038 -20.215 1052 HA SER 131 HA SER 131 -7.324 16.206 -21.426 1053 1HB SER 131 1HB SER 131 -7.029 15.529 -18.756 1054 2HB SER 131 2HB SER 131 -7.112 13.948 -19.508 1055 HG SER 131 HG SER 131 -5.102 14.222 -20.166 1056 H SER 132 H SER 132 -7.007 14.406 -22.906 1057 HA SER 132 HA SER 132 -8.676 12.140 -22.720 1058 1HB SER 132 1HB SER 132 -9.340 14.283 -24.776 1059 2HB SER 132 2HB SER 132 -9.827 12.613 -24.978 1060 HG SER 132 HG SER 132 -11.466 14.003 -23.952 1061 H GLY 133 H GLY 133 -8.244 10.610 -24.589 1062 1HA GLY 133 1HA GLY 133 -6.901 10.512 -26.713 1063 2HA GLY 133 2HA GLY 133 -5.593 11.188 -25.762 Start of MODEL 10 1 H GLY 1 H GLY 1 -24.556 13.107 5.033 2 1HA GLY 1 1HA GLY 1 -25.020 11.721 3.271 3 2HA GLY 1 2HA GLY 1 -23.378 12.185 2.869 4 H SER 2 H SER 2 -21.569 10.798 3.902 5 HA SER 2 HA SER 2 -22.232 8.254 4.842 6 1HB SER 2 1HB SER 2 -21.323 6.957 2.849 7 2HB SER 2 2HB SER 2 -22.905 7.674 2.614 8 HG SER 2 HG SER 2 -20.530 8.165 1.268 9 H SER 3 H SER 3 -20.421 7.444 5.911 10 HA SER 3 HA SER 3 -17.835 7.776 4.985 11 1HB SER 3 1HB SER 3 -18.325 10.182 5.649 12 2HB SER 3 2HB SER 3 -18.505 9.638 7.305 13 HG SER 3 HG SER 3 -16.206 8.605 6.691 14 H GLY 4 H GLY 4 -19.746 7.859 8.085 15 1HA GLY 4 1HA GLY 4 -19.912 6.300 9.719 16 2HA GLY 4 2HA GLY 4 -18.950 5.192 8.762 17 H SER 5 H SER 5 -18.532 5.312 11.511 18 HA SER 5 HA SER 5 -16.560 7.177 12.199 19 1HB SER 5 1HB SER 5 -18.003 4.986 13.451 20 2HB SER 5 2HB SER 5 -16.304 4.871 13.861 21 HG SER 5 HG SER 5 -18.093 7.092 14.309 22 H SER 6 H SER 6 -14.787 7.164 10.764 23 HA SER 6 HA SER 6 -12.886 6.533 9.930 24 1HB SER 6 1HB SER 6 -13.103 4.604 12.236 25 2HB SER 6 2HB SER 6 -11.827 4.343 11.063 26 HG SER 6 HG SER 6 -12.053 6.296 13.035 27 H GLY 7 H GLY 7 -14.462 6.017 8.058 28 1HA GLY 7 1HA GLY 7 -14.731 3.145 7.534 29 2HA GLY 7 2HA GLY 7 -15.527 4.458 6.689 30 H MET 8 H MET 8 -14.799 4.813 4.643 31 HA MET 8 HA MET 8 -12.081 3.952 4.077 32 1HB MET 8 1HB MET 8 -13.864 2.928 2.694 33 2HB MET 8 2HB MET 8 -14.520 4.505 2.302 34 1HG MET 8 1HG MET 8 -13.229 3.903 0.384 35 2HG MET 8 2HG MET 8 -12.221 5.050 1.244 36 1HE MET 8 1HE MET 8 -9.217 3.148 0.479 37 2HE MET 8 2HE MET 8 -10.279 4.551 0.213 38 3HE MET 8 3HE MET 8 -9.535 4.289 1.809 39 H GLU 9 H GLU 9 -14.418 6.661 3.503 40 HA GLU 9 HA GLU 9 -12.601 8.283 2.182 41 1HB GLU 9 1HB GLU 9 -15.298 8.393 2.843 42 2HB GLU 9 2HB GLU 9 -14.634 9.694 3.812 43 1HG GLU 9 1HG GLU 9 -13.501 10.611 1.752 44 2HG GLU 9 2HG GLU 9 -14.248 9.342 0.801 45 H ALA 10 H ALA 10 -12.700 7.256 5.453 46 HA ALA 10 HA ALA 10 -11.466 9.666 6.491 47 1HB ALA 10 1HB ALA 10 -13.203 8.136 7.674 48 2HB ALA 10 2HB ALA 10 -11.830 7.036 7.946 49 3HB ALA 10 3HB ALA 10 -11.792 8.685 8.611 50 H VAL 11 H VAL 11 -10.664 6.263 5.628 51 HA VAL 11 HA VAL 11 -8.079 6.247 6.648 52 HB VAL 11 HB VAL 11 -9.570 4.761 4.521 53 1HG1 VAL 11 1HG1 VAL 11 -7.524 3.261 4.315 54 2HG1 VAL 11 2HG1 VAL 11 -7.429 4.839 3.495 55 3HG1 VAL 11 3HG1 VAL 11 -6.593 4.591 5.046 56 1HG2 VAL 11 1HG2 VAL 11 -8.107 3.534 6.837 57 2HG2 VAL 11 2HG2 VAL 11 -9.621 4.420 7.135 58 3HG2 VAL 11 3HG2 VAL 11 -9.611 3.020 6.035 59 H LEU 12 H LEU 12 -9.355 7.211 3.399 60 HA LEU 12 HA LEU 12 -6.796 7.841 2.382 61 1HB LEU 12 1HB LEU 12 -9.626 8.174 1.546 62 2HB LEU 12 2HB LEU 12 -8.446 9.233 0.799 63 HG LEU 12 HG LEU 12 -8.359 6.203 0.788 64 1HD1 LEU 12 1HD1 LEU 12 -8.530 7.209 -1.830 65 2HD1 LEU 12 2HD1 LEU 12 -9.775 6.325 -0.915 66 3HD1 LEU 12 3HD1 LEU 12 -9.744 8.104 -0.885 67 1HD2 LEU 12 1HD2 LEU 12 -6.113 6.916 0.739 68 2HD2 LEU 12 2HD2 LEU 12 -6.551 6.605 -0.959 69 3HD2 LEU 12 3HD2 LEU 12 -6.479 8.277 -0.349 70 H ASN 13 H ASN 13 -9.295 9.610 4.218 71 HA ASN 13 HA ASN 13 -8.242 12.142 3.743 72 1HB ASN 13 1HB ASN 13 -10.294 10.905 5.437 73 2HB ASN 13 2HB ASN 13 -9.431 12.133 6.342 74 1HD2 ASN 13 1HD2 ASN 13 -10.826 11.568 3.115 75 2HD2 ASN 13 2HD2 ASN 13 -11.512 13.143 2.892 76 H GLU 14 H GLU 14 -8.143 10.036 6.729 77 HA GLU 14 HA GLU 14 -6.438 11.471 8.210 78 1HB GLU 14 1HB GLU 14 -7.242 8.648 8.041 79 2HB GLU 14 2HB GLU 14 -5.623 8.824 8.687 80 1HG GLU 14 1HG GLU 14 -7.057 8.959 10.593 81 2HG GLU 14 2HG GLU 14 -6.578 10.615 10.275 82 H LEU 15 H LEU 15 -4.067 11.149 8.729 83 HA LEU 15 HA LEU 15 -2.572 10.404 6.314 84 1HB LEU 15 1HB LEU 15 -2.088 12.783 8.113 85 2HB LEU 15 2HB LEU 15 -1.021 12.254 6.827 86 HG LEU 15 HG LEU 15 -3.890 13.129 6.397 87 1HD1 LEU 15 1HD1 LEU 15 -1.767 14.891 5.401 88 2HD1 LEU 15 2HD1 LEU 15 -3.278 15.274 6.261 89 3HD1 LEU 15 3HD1 LEU 15 -1.835 14.778 7.177 90 1HD2 LEU 15 1HD2 LEU 15 -3.304 11.745 4.599 91 2HD2 LEU 15 2HD2 LEU 15 -3.006 13.398 4.009 92 3HD2 LEU 15 3HD2 LEU 15 -1.641 12.380 4.530 93 H VAL 16 H VAL 16 -0.084 10.218 7.004 94 HA VAL 16 HA VAL 16 -0.124 8.440 9.328 95 HB VAL 16 HB VAL 16 0.633 7.888 6.847 96 1HG1 VAL 16 1HG1 VAL 16 3.366 8.419 7.905 97 2HG1 VAL 16 2HG1 VAL 16 2.761 8.417 6.231 98 3HG1 VAL 16 3HG1 VAL 16 2.455 9.817 7.288 99 1HG2 VAL 16 1HG2 VAL 16 1.530 6.912 9.507 100 2HG2 VAL 16 2HG2 VAL 16 0.722 6.049 8.177 101 3HG2 VAL 16 3HG2 VAL 16 2.473 6.360 8.102 102 H SER 17 H SER 17 1.662 8.534 10.875 103 HA SER 17 HA SER 17 2.517 11.280 11.185 104 1HB SER 17 1HB SER 17 3.023 9.141 13.251 105 2HB SER 17 2HB SER 17 2.703 10.848 13.486 106 HG SER 17 HG SER 17 0.567 10.506 13.437 107 H VAL 18 H VAL 18 4.616 11.889 10.766 108 HA VAL 18 HA VAL 18 6.427 10.336 9.505 109 HB VAL 18 HB VAL 18 6.383 12.842 9.941 110 1HG1 VAL 18 1HG1 VAL 18 7.729 13.682 11.800 111 2HG1 VAL 18 2HG1 VAL 18 6.354 12.726 12.405 112 3HG1 VAL 18 3HG1 VAL 18 7.989 12.021 12.386 113 1HG2 VAL 18 1HG2 VAL 18 8.808 13.065 9.610 114 2HG2 VAL 18 2HG2 VAL 18 9.040 11.381 10.141 115 3HG2 VAL 18 3HG2 VAL 18 8.143 11.727 8.643 116 H GLU 19 H GLU 19 6.229 10.915 13.082 117 HA GLU 19 HA GLU 19 8.376 9.516 13.866 118 1HB GLU 19 1HB GLU 19 6.229 10.681 15.121 119 2HB GLU 19 2HB GLU 19 5.919 8.992 15.475 120 1HG GLU 19 1HG GLU 19 8.761 9.683 15.840 121 2HG GLU 19 2HG GLU 19 7.717 10.679 16.834 122 H ASP 20 H ASP 20 5.029 8.097 13.595 123 HA ASP 20 HA ASP 20 5.710 5.532 14.091 124 1HB ASP 20 1HB ASP 20 3.540 6.939 12.626 125 2HB ASP 20 2HB ASP 20 3.760 5.276 12.119 126 H LEU 21 H LEU 21 5.488 7.238 10.878 127 HA LEU 21 HA LEU 21 6.157 5.179 9.223 128 1HB LEU 21 1HB LEU 21 5.409 7.393 8.517 129 2HB LEU 21 2HB LEU 21 6.936 8.092 9.016 130 HG LEU 21 HG LEU 21 7.463 5.935 7.190 131 1HD1 LEU 21 1HD1 LEU 21 4.975 6.832 6.628 132 2HD1 LEU 21 2HD1 LEU 21 5.951 7.977 5.675 133 3HD1 LEU 21 3HD1 LEU 21 6.119 6.225 5.406 134 1HD2 LEU 21 1HD2 LEU 21 8.928 7.867 7.706 135 2HD2 LEU 21 2HD2 LEU 21 8.655 7.636 5.962 136 3HD2 LEU 21 3HD2 LEU 21 7.792 8.926 6.834 137 H LYS 22 H LYS 22 8.346 7.307 11.148 138 HA LYS 22 HA LYS 22 10.703 6.140 10.112 139 1HB LYS 22 1HB LYS 22 9.975 8.068 12.257 140 2HB LYS 22 2HB LYS 22 11.505 7.237 12.446 141 1HG LYS 22 1HG LYS 22 10.980 8.249 9.690 142 2HG LYS 22 2HG LYS 22 11.135 9.499 10.907 143 1HD LYS 22 1HD LYS 22 13.282 8.165 11.667 144 2HD LYS 22 2HD LYS 22 13.174 7.405 10.091 145 1HE LYS 22 1HE LYS 22 14.193 9.209 9.171 146 2HE LYS 22 2HE LYS 22 12.823 10.200 9.627 147 1HZ LYS 22 1HZ LYS 22 15.010 10.886 10.542 148 2HZ LYS 22 2HZ LYS 22 13.837 10.705 11.663 149 3HZ LYS 22 3HZ LYS 22 14.991 9.561 11.497 150 H ASN 23 H ASN 23 8.617 5.532 12.982 151 HA ASN 23 HA ASN 23 10.309 3.742 14.212 152 1HB ASN 23 1HB ASN 23 7.685 4.750 14.603 153 2HB ASN 23 2HB ASN 23 7.463 3.017 14.476 154 1HD2 ASN 23 1HD2 ASN 23 6.846 3.019 16.669 155 2HD2 ASN 23 2HD2 ASN 23 8.012 3.055 17.950 156 H PHE 24 H PHE 24 8.135 3.499 11.419 157 HA PHE 24 HA PHE 24 8.241 0.599 11.437 158 1HB PHE 24 1HB PHE 24 6.861 2.839 9.885 159 2HB PHE 24 2HB PHE 24 6.892 1.229 9.192 160 HD1 PHE 24 1HD PHE 24 4.669 0.541 9.308 161 HD2 PHE 24 2HD PHE 24 6.498 2.187 12.766 162 HE1 PHE 24 1HE PHE 24 2.656 -0.085 10.671 163 HE2 PHE 24 2HE PHE 24 4.485 1.561 14.128 164 HZ PHE 24 HZ PHE 24 2.589 0.432 13.065 165 H GLU 25 H GLU 25 9.542 3.442 9.691 166 HA GLU 25 HA GLU 25 10.549 1.968 7.538 167 1HB GLU 25 1HB GLU 25 10.341 4.256 7.095 168 2HB GLU 25 2HB GLU 25 10.973 4.732 8.658 169 1HG GLU 25 1HG GLU 25 13.253 4.042 7.992 170 2HG GLU 25 2HG GLU 25 12.653 3.430 6.463 171 H ARG 26 H ARG 26 11.964 3.112 10.661 172 HA ARG 26 HA ARG 26 14.536 2.289 10.130 173 1HB ARG 26 1HB ARG 26 14.593 3.536 12.057 174 2HB ARG 26 2HB ARG 26 12.948 3.113 12.485 175 1HG ARG 26 1HG ARG 26 13.645 1.006 13.469 176 2HG ARG 26 2HG ARG 26 15.255 1.145 12.793 177 1HD ARG 26 1HD ARG 26 14.254 3.325 14.643 178 2HD ARG 26 2HD ARG 26 14.794 1.809 15.336 179 HE ARG 26 HE ARG 26 16.806 2.550 13.517 180 1HH1 ARG 26 1HH1 ARG 26 15.337 3.929 16.403 181 2HH1 ARG 26 2HH1 ARG 26 16.765 4.788 16.875 182 1HH2 ARG 26 1HH2 ARG 26 18.691 3.683 14.140 183 2HH2 ARG 26 2HH2 ARG 26 18.685 4.648 15.579 184 H LYS 27 H LYS 27 11.811 0.624 11.866 185 HA LYS 27 HA LYS 27 13.155 -1.677 12.562 186 1HB LYS 27 1HB LYS 27 10.559 -0.682 12.744 187 2HB LYS 27 2HB LYS 27 10.375 -2.137 11.786 188 1HG LYS 27 1HG LYS 27 10.484 -3.321 13.718 189 2HG LYS 27 2HG LYS 27 12.184 -2.903 13.802 190 1HD LYS 27 1HD LYS 27 10.329 -0.768 14.751 191 2HD LYS 27 2HD LYS 27 10.316 -2.230 15.718 192 1HE LYS 27 1HE LYS 27 12.784 -2.104 15.990 193 2HE LYS 27 2HE LYS 27 12.845 -0.690 14.957 194 1HZ LYS 27 1HZ LYS 27 11.395 0.421 16.563 195 2HZ LYS 27 2HZ LYS 27 11.467 -0.883 17.544 196 3HZ LYS 27 3HZ LYS 27 12.820 -0.027 17.222 197 H PHE 28 H PHE 28 11.426 -0.844 9.498 198 HA PHE 28 HA PHE 28 11.803 -3.345 8.307 199 1HB PHE 28 1HB PHE 28 10.205 -1.538 7.580 200 2HB PHE 28 2HB PHE 28 11.551 -0.479 7.212 201 HD1 PHE 28 1HD PHE 28 10.971 -4.072 6.379 202 HD2 PHE 28 2HD PHE 28 11.546 -0.126 4.929 203 HE1 PHE 28 1HE PHE 28 11.012 -4.943 4.026 204 HE2 PHE 28 2HE PHE 28 11.588 -0.998 2.575 205 HZ PHE 28 HZ PHE 28 11.320 -3.395 2.152 206 H GLN 29 H GLN 29 13.493 -0.218 7.512 207 HA GLN 29 HA GLN 29 15.398 -1.311 5.929 208 1HB GLN 29 1HB GLN 29 15.585 1.095 7.790 209 2HB GLN 29 2HB GLN 29 16.778 0.733 6.558 210 1HG GLN 29 1HG GLN 29 14.696 0.640 4.926 211 2HG GLN 29 2HG GLN 29 13.873 1.525 6.196 212 1HE2 GLN 29 1HE2 GLN 29 13.880 2.930 4.123 213 2HE2 GLN 29 2HE2 GLN 29 15.111 4.145 4.033 214 H SER 30 H SER 30 15.510 -0.785 9.513 215 HA SER 30 HA SER 30 18.078 -1.588 9.923 216 1HB SER 30 1HB SER 30 16.542 -0.589 11.633 217 2HB SER 30 2HB SER 30 15.670 -2.106 11.725 218 HG SER 30 HG SER 30 18.145 -1.387 12.834 219 H GLU 31 H GLU 31 15.071 -3.538 9.561 220 HA GLU 31 HA GLU 31 16.493 -5.958 10.094 221 1HB GLU 31 1HB GLU 31 13.640 -5.404 9.173 222 2HB GLU 31 2HB GLU 31 14.257 -7.014 9.490 223 1HG GLU 31 1HG GLU 31 14.387 -4.783 11.564 224 2HG GLU 31 2HG GLU 31 13.008 -5.855 11.429 225 H GLN 32 H GLN 32 15.897 -3.883 7.382 226 HA GLN 32 HA GLN 32 15.928 -5.926 5.422 227 1HB GLN 32 1HB GLN 32 15.074 -3.374 5.387 228 2HB GLN 32 2HB GLN 32 16.687 -3.091 4.763 229 1HG GLN 32 1HG GLN 32 16.325 -4.682 2.928 230 2HG GLN 32 2HG GLN 32 14.786 -5.180 3.604 231 1HE2 GLN 32 1HE2 GLN 32 14.556 -4.481 1.158 232 2HE2 GLN 32 2HE2 GLN 32 13.909 -2.893 0.913 233 H ALA 33 H ALA 33 18.298 -3.301 6.301 234 HA ALA 33 HA ALA 33 20.374 -4.415 4.769 235 1HB ALA 33 1HB ALA 33 20.110 -2.321 6.921 236 2HB ALA 33 2HB ALA 33 21.729 -2.853 6.407 237 3HB ALA 33 3HB ALA 33 20.607 -2.141 5.222 238 H ALA 34 H ALA 34 18.884 -5.430 7.686 239 HA ALA 34 HA ALA 34 21.166 -6.425 9.027 240 1HB ALA 34 1HB ALA 34 19.568 -6.586 10.597 241 2HB ALA 34 2HB ALA 34 18.305 -6.280 9.380 242 3HB ALA 34 3HB ALA 34 18.854 -7.945 9.695 243 H GLY 35 H GLY 35 19.233 -7.483 6.283 244 1HA GLY 35 1HA GLY 35 20.604 -9.137 4.957 245 2HA GLY 35 2HA GLY 35 20.527 -10.138 6.392 246 H SER 36 H SER 36 17.683 -8.840 6.872 247 HA SER 36 HA SER 36 16.027 -9.460 4.814 248 1HB SER 36 1HB SER 36 17.158 -11.843 5.714 249 2HB SER 36 2HB SER 36 15.638 -11.798 6.584 250 HG SER 36 HG SER 36 14.611 -12.291 4.778 251 H VAL 37 H VAL 37 13.837 -9.022 5.418 252 HA VAL 37 HA VAL 37 13.373 -8.695 8.292 253 HB VAL 37 HB VAL 37 13.908 -6.515 7.627 254 1HG1 VAL 37 1HG1 VAL 37 12.926 -7.368 5.046 255 2HG1 VAL 37 2HG1 VAL 37 12.186 -5.814 5.503 256 3HG1 VAL 37 3HG1 VAL 37 13.958 -5.979 5.461 257 1HG2 VAL 37 1HG2 VAL 37 11.633 -6.932 8.803 258 2HG2 VAL 37 2HG2 VAL 37 11.965 -5.319 8.129 259 3HG2 VAL 37 3HG2 VAL 37 10.916 -6.454 7.245 260 H SER 38 H SER 38 11.104 -8.842 8.904 261 HA SER 38 HA SER 38 9.785 -10.778 7.369 262 1HB SER 38 1HB SER 38 8.972 -9.120 9.788 263 2HB SER 38 2HB SER 38 7.893 -10.302 9.072 264 HG SER 38 HG SER 38 10.582 -10.959 9.909 265 H LYS 39 H LYS 39 7.363 -10.491 6.721 266 HA LYS 39 HA LYS 39 7.233 -8.332 4.891 267 1HB LYS 39 1HB LYS 39 5.104 -10.327 5.720 268 2HB LYS 39 2HB LYS 39 5.041 -9.280 4.318 269 1HG LYS 39 1HG LYS 39 7.209 -10.347 3.507 270 2HG LYS 39 2HG LYS 39 7.098 -11.474 4.844 271 1HD LYS 39 1HD LYS 39 4.533 -11.512 3.601 272 2HD LYS 39 2HD LYS 39 5.692 -11.518 2.286 273 1HE LYS 39 1HE LYS 39 6.660 -13.559 2.955 274 2HE LYS 39 2HE LYS 39 6.179 -13.365 4.628 275 1HZ LYS 39 1HZ LYS 39 3.860 -13.630 3.832 276 2HZ LYS 39 2HZ LYS 39 4.442 -14.039 2.362 277 3HZ LYS 39 3HZ LYS 39 4.785 -14.965 3.663 278 H SER 40 H SER 40 5.409 -9.171 7.915 279 HA SER 40 HA SER 40 3.658 -7.228 8.067 280 1HB SER 40 1HB SER 40 5.538 -7.977 10.351 281 2HB SER 40 2HB SER 40 3.962 -7.234 10.537 282 HG SER 40 HG SER 40 4.582 -9.877 9.559 283 H THR 41 H THR 41 6.981 -6.772 9.499 284 HA THR 41 HA THR 41 6.828 -4.082 9.951 285 HB THR 41 HB THR 41 9.083 -6.003 9.249 286 HG1 THR 41 1HG THR 41 8.170 -4.397 11.534 287 1HG2 THR 41 1HG2 THR 41 9.329 -3.074 10.118 288 2HG2 THR 41 2HG2 THR 41 10.666 -4.245 10.038 289 3HG2 THR 41 3HG2 THR 41 9.852 -3.721 8.545 290 H GLN 42 H GLN 42 8.070 -5.655 6.928 291 HA GLN 42 HA GLN 42 8.569 -3.313 5.608 292 1HB GLN 42 1HB GLN 42 9.242 -5.643 4.903 293 2HB GLN 42 2HB GLN 42 7.597 -5.926 4.371 294 1HG GLN 42 1HG GLN 42 8.980 -3.454 3.343 295 2HG GLN 42 2HG GLN 42 9.507 -4.997 2.702 296 1HE2 GLN 42 1HE2 GLN 42 8.609 -5.407 0.843 297 2HE2 GLN 42 2HE2 GLN 42 6.964 -5.125 0.380 298 H PHE 43 H PHE 43 5.698 -5.468 4.987 299 HA PHE 43 HA PHE 43 4.248 -3.817 3.447 300 1HB PHE 43 1HB PHE 43 3.186 -5.871 3.839 301 2HB PHE 43 2HB PHE 43 3.786 -5.961 5.483 302 HD1 PHE 43 1HD PHE 43 2.514 -5.015 7.327 303 HD2 PHE 43 2HD PHE 43 1.062 -4.789 3.346 304 HE1 PHE 43 1HE PHE 43 0.237 -4.409 8.192 305 HE2 PHE 43 2HE PHE 43 -1.215 -4.182 4.211 306 HZ PHE 43 HZ PHE 43 -1.601 -4.000 6.624 307 H GLU 44 H GLU 44 4.400 -3.767 7.062 308 HA GLU 44 HA GLU 44 2.431 -1.914 7.463 309 1HB GLU 44 1HB GLU 44 4.897 -2.750 8.977 310 2HB GLU 44 2HB GLU 44 4.033 -1.330 9.534 311 1HG GLU 44 1HG GLU 44 1.935 -2.629 9.713 312 2HG GLU 44 2HG GLU 44 2.720 -4.044 9.039 313 H TYR 45 H TYR 45 6.020 -1.275 7.372 314 HA TYR 45 HA TYR 45 5.929 1.448 7.456 315 1HB TYR 45 1HB TYR 45 8.030 0.218 7.526 316 2HB TYR 45 2HB TYR 45 7.645 -0.670 6.065 317 HD1 TYR 45 1HD TYR 45 9.279 -0.204 4.477 318 HD2 TYR 45 2HD TYR 45 7.676 3.014 6.797 319 HE1 TYR 45 1HE TYR 45 10.634 1.462 3.117 320 HE2 TYR 45 2HE TYR 45 9.037 4.669 5.428 321 HH TYR 45 HH TYR 45 10.293 4.944 3.672 322 H ALA 46 H ALA 46 5.288 -0.723 4.682 323 HA ALA 46 HA ALA 46 5.428 1.257 2.696 324 1HB ALA 46 1HB ALA 46 5.478 -1.272 2.430 325 2HB ALA 46 2HB ALA 46 3.718 -1.256 2.697 326 3HB ALA 46 3HB ALA 46 4.414 -0.409 1.295 327 H TRP 47 H TRP 47 2.543 -0.272 4.308 328 HA TRP 47 HA TRP 47 0.645 1.379 3.202 329 1HB TRP 47 1HB TRP 47 0.051 -0.618 4.375 330 2HB TRP 47 2HB TRP 47 0.740 -0.024 5.872 331 HD1 TRP 47 HD TRP 47 -1.121 0.787 7.502 332 HE1 TRP 47 1HE TRP 47 -3.524 1.872 7.395 333 HE3 TRP 47 3HE TRP 47 -1.336 1.079 2.431 334 HZ2 TRP 47 2HZ TRP 47 -5.207 2.713 5.249 335 HZ3 TRP 47 3HZ TRP 47 -3.395 2.045 1.410 336 HH2 TRP 47 HH TRP 47 -5.288 2.846 2.732 337 H CYS 48 H CYS 48 2.980 1.905 5.844 338 HA CYS 48 HA CYS 48 1.753 4.148 6.960 339 1HB CYS 48 1HB CYS 48 4.541 3.026 6.998 340 2HB CYS 48 2HB CYS 48 4.255 4.631 7.642 341 HG CYS 48 HG CYS 48 3.138 1.681 8.529 342 H LEU 49 H LEU 49 4.277 3.702 4.393 343 HA LEU 49 HA LEU 49 4.813 6.358 3.908 344 1HB LEU 49 1HB LEU 49 4.967 3.836 2.321 345 2HB LEU 49 2HB LEU 49 5.198 5.360 1.490 346 HG LEU 49 HG LEU 49 6.805 4.452 3.894 347 1HD1 LEU 49 1HD1 LEU 49 8.457 4.596 1.628 348 2HD1 LEU 49 2HD1 LEU 49 7.939 3.139 2.510 349 3HD1 LEU 49 3HD1 LEU 49 7.001 3.712 1.110 350 1HD2 LEU 49 1HD2 LEU 49 7.802 6.447 3.934 351 2HD2 LEU 49 2HD2 LEU 49 7.947 6.513 2.162 352 3HD2 LEU 49 3HD2 LEU 49 6.433 7.018 2.950 353 H VAL 50 H VAL 50 2.527 4.253 2.014 354 HA VAL 50 HA VAL 50 1.419 6.218 0.491 355 HB VAL 50 HB VAL 50 -0.595 4.723 0.449 356 1HG1 VAL 50 1HG1 VAL 50 1.359 4.449 -1.063 357 2HG1 VAL 50 2HG1 VAL 50 2.068 3.307 0.102 358 3HG1 VAL 50 3HG1 VAL 50 0.532 2.913 -0.708 359 1HG2 VAL 50 1HG2 VAL 50 1.008 3.245 2.551 360 2HG2 VAL 50 2HG2 VAL 50 -0.673 3.825 2.646 361 3HG2 VAL 50 3HG2 VAL 50 -0.260 2.465 1.573 362 H ARG 51 H ARG 51 0.503 5.200 3.838 363 HA ARG 51 HA ARG 51 -1.703 6.766 4.089 364 1HB ARG 51 1HB ARG 51 0.402 5.871 6.103 365 2HB ARG 51 2HB ARG 51 -0.996 6.794 6.615 366 1HG ARG 51 1HG ARG 51 -1.597 4.461 4.846 367 2HG ARG 51 2HG ARG 51 -0.948 4.051 6.422 368 1HD ARG 51 1HD ARG 51 -3.296 5.969 6.056 369 2HD ARG 51 2HD ARG 51 -3.509 4.244 6.280 370 HE ARG 51 HE ARG 51 -1.806 5.088 8.366 371 1HH1 ARG 51 1HH1 ARG 51 -5.089 5.750 7.283 372 2HH1 ARG 51 2HH1 ARG 51 -5.673 6.120 8.872 373 1HH2 ARG 51 1HH2 ARG 51 -2.577 5.577 10.460 374 2HH2 ARG 51 2HH2 ARG 51 -4.236 6.022 10.690 375 H SER 52 H SER 52 1.677 7.670 3.891 376 HA SER 52 HA SER 52 1.701 9.981 5.357 377 1HB SER 52 1HB SER 52 3.670 8.826 4.261 378 2HB SER 52 2HB SER 52 3.154 9.485 2.722 379 HG SER 52 HG SER 52 3.727 11.126 5.038 380 H LYS 53 H LYS 53 2.095 12.267 4.114 381 HA LYS 53 HA LYS 53 -0.395 12.712 2.676 382 1HB LYS 53 1HB LYS 53 -0.064 15.046 3.206 383 2HB LYS 53 2HB LYS 53 0.114 14.083 4.659 384 1HG LYS 53 1HG LYS 53 2.712 14.096 3.852 385 2HG LYS 53 2HG LYS 53 2.198 15.599 3.113 386 1HD LYS 53 1HD LYS 53 1.199 15.340 5.874 387 2HD LYS 53 2HD LYS 53 2.947 15.230 5.802 388 1HE LYS 53 1HE LYS 53 3.050 17.486 5.594 389 2HE LYS 53 2HE LYS 53 2.254 17.356 4.038 390 1HZ LYS 53 1HZ LYS 53 0.835 17.484 6.608 391 2HZ LYS 53 2HZ LYS 53 1.064 18.757 5.611 392 3HZ LYS 53 3HZ LYS 53 0.150 17.494 5.125 393 H TYR 54 H TYR 54 2.992 12.243 2.129 394 HA TYR 54 HA TYR 54 3.160 13.855 -0.225 395 1HB TYR 54 1HB TYR 54 4.729 11.706 1.269 396 2HB TYR 54 2HB TYR 54 5.233 12.095 -0.363 397 HD1 TYR 54 1HD TYR 54 7.308 13.155 -0.045 398 HD2 TYR 54 2HD TYR 54 3.929 14.430 2.248 399 HE1 TYR 54 1HE TYR 54 8.645 15.127 0.843 400 HE2 TYR 54 2HE TYR 54 5.278 16.398 3.128 401 HH TYR 54 HH TYR 54 7.113 17.579 2.867 402 H ASN 55 H ASN 55 3.723 12.893 -2.399 403 HA ASN 55 HA ASN 55 1.920 10.666 -2.852 404 1HB ASN 55 1HB ASN 55 3.169 12.658 -4.818 405 2HB ASN 55 2HB ASN 55 2.022 11.409 -5.260 406 1HD2 ASN 55 1HD2 ASN 55 1.034 13.513 -6.053 407 2HD2 ASN 55 2HD2 ASN 55 -0.104 14.297 -5.008 408 H GLU 56 H GLU 56 5.271 11.865 -3.164 409 HA GLU 56 HA GLU 56 6.183 9.877 -4.893 410 1HB GLU 56 1HB GLU 56 7.274 12.114 -3.405 411 2HB GLU 56 2HB GLU 56 8.333 10.731 -3.210 412 1HG GLU 56 1HG GLU 56 9.193 11.472 -5.214 413 2HG GLU 56 2HG GLU 56 7.883 10.516 -5.878 414 H ASP 57 H ASP 57 5.593 10.006 -1.401 415 HA ASP 57 HA ASP 57 7.218 7.782 -0.803 416 1HB ASP 57 1HB ASP 57 5.034 9.322 0.629 417 2HB ASP 57 2HB ASP 57 5.613 7.816 1.314 418 H ILE 58 H ILE 58 3.934 8.361 -1.986 419 HA ILE 58 HA ILE 58 2.718 5.991 -1.142 420 HB ILE 58 HB ILE 58 2.197 7.831 -3.474 421 1HG1 ILE 58 1HG1 ILE 58 0.762 7.557 -0.818 422 2HG1 ILE 58 2HG1 ILE 58 1.990 8.760 -1.156 423 1HG2 ILE 58 1HG2 ILE 58 0.183 6.740 -3.933 424 2HG2 ILE 58 2HG2 ILE 58 1.358 5.417 -3.738 425 3HG2 ILE 58 3HG2 ILE 58 0.229 5.807 -2.418 426 1HD1 ILE 58 1HD1 ILE 58 -0.833 8.656 -2.032 427 2HD1 ILE 58 2HD1 ILE 58 0.255 10.055 -1.870 428 3HD1 ILE 58 3HD1 ILE 58 0.304 9.054 -3.342 429 H ARG 59 H ARG 59 3.929 6.795 -4.478 430 HA ARG 59 HA ARG 59 3.721 4.446 -5.620 431 1HB ARG 59 1HB ARG 59 4.787 6.550 -6.582 432 2HB ARG 59 2HB ARG 59 6.281 6.114 -5.775 433 1HG ARG 59 1HG ARG 59 6.305 3.936 -7.033 434 2HG ARG 59 2HG ARG 59 4.836 4.410 -7.862 435 1HD ARG 59 1HD ARG 59 7.321 6.169 -7.937 436 2HD ARG 59 2HD ARG 59 7.111 4.846 -9.068 437 HE ARG 59 HE ARG 59 5.337 6.018 -10.120 438 1HH1 ARG 59 1HH1 ARG 59 6.387 7.691 -7.207 439 2HH1 ARG 59 2HH1 ARG 59 5.523 9.145 -7.577 440 1HH2 ARG 59 1HH2 ARG 59 4.197 7.937 -10.608 441 2HH2 ARG 59 2HH2 ARG 59 4.268 9.287 -9.524 442 H ARG 60 H ARG 60 6.084 5.321 -3.089 443 HA ARG 60 HA ARG 60 7.730 3.101 -3.439 444 1HB ARG 60 1HB ARG 60 7.367 5.279 -1.456 445 2HB ARG 60 2HB ARG 60 7.953 3.793 -0.735 446 1HG ARG 60 1HG ARG 60 10.025 4.397 -1.442 447 2HG ARG 60 2HG ARG 60 9.494 4.000 -3.064 448 1HD ARG 60 1HD ARG 60 8.593 6.393 -3.259 449 2HD ARG 60 2HD ARG 60 9.365 6.743 -1.726 450 HE ARG 60 HE ARG 60 11.470 6.698 -2.778 451 1HH1 ARG 60 1HH1 ARG 60 9.028 5.378 -4.939 452 2HH1 ARG 60 2HH1 ARG 60 10.080 5.344 -6.315 453 1HH2 ARG 60 1HH2 ARG 60 12.859 6.654 -4.592 454 2HH2 ARG 60 2HH2 ARG 60 12.273 6.076 -6.116 455 H GLY 61 H GLY 61 5.311 3.850 -0.809 456 1HA GLY 61 1HA GLY 61 5.268 1.452 0.486 457 2HA GLY 61 2HA GLY 61 3.883 2.513 0.310 458 H ILE 62 H ILE 62 4.265 2.109 -2.806 459 HA ILE 62 HA ILE 62 2.394 -0.051 -2.943 460 HB ILE 62 HB ILE 62 3.699 1.675 -5.046 461 1HG1 ILE 62 1HG1 ILE 62 0.942 1.755 -3.788 462 2HG1 ILE 62 2HG1 ILE 62 2.238 2.903 -3.514 463 1HG2 ILE 62 1HG2 ILE 62 1.255 0.433 -5.907 464 2HG2 ILE 62 2HG2 ILE 62 2.875 0.373 -6.640 465 3HG2 ILE 62 3HG2 ILE 62 2.418 -0.814 -5.395 466 1HD1 ILE 62 1HD1 ILE 62 2.211 3.163 -6.151 467 2HD1 ILE 62 2HD1 ILE 62 0.576 2.476 -6.003 468 3HD1 ILE 62 3HD1 ILE 62 0.981 3.994 -5.167 469 H VAL 63 H VAL 63 5.603 0.539 -4.557 470 HA VAL 63 HA VAL 63 6.033 -1.900 -5.585 471 HB VAL 63 HB VAL 63 8.467 -1.448 -5.146 472 1HG1 VAL 63 1HG1 VAL 63 8.582 0.205 -6.781 473 2HG1 VAL 63 2HG1 VAL 63 6.964 -0.487 -7.044 474 3HG1 VAL 63 3HG1 VAL 63 7.142 1.055 -6.172 475 1HG2 VAL 63 1HG2 VAL 63 9.205 0.424 -3.959 476 2HG2 VAL 63 2HG2 VAL 63 7.602 1.196 -3.982 477 3HG2 VAL 63 3HG2 VAL 63 7.895 -0.213 -2.936 478 H LEU 64 H LEU 64 6.380 -0.929 -2.139 479 HA LEU 64 HA LEU 64 7.539 -3.325 -1.276 480 1HB LEU 64 1HB LEU 64 5.748 -1.594 0.404 481 2HB LEU 64 2HB LEU 64 7.133 -2.550 0.897 482 HG LEU 64 HG LEU 64 7.139 0.051 -0.648 483 1HD1 LEU 64 1HD1 LEU 64 7.785 -0.777 2.142 484 2HD1 LEU 64 2HD1 LEU 64 8.790 0.487 1.394 485 3HD1 LEU 64 3HD1 LEU 64 7.030 0.713 1.526 486 1HD2 LEU 64 1HD2 LEU 64 9.432 -0.110 -1.054 487 2HD2 LEU 64 2HD2 LEU 64 9.638 -1.471 0.073 488 3HD2 LEU 64 3HD2 LEU 64 8.808 -1.721 -1.481 489 H LEU 65 H LEU 65 4.085 -2.195 -1.116 490 HA LEU 65 HA LEU 65 3.126 -4.675 -0.232 491 1HB LEU 65 1HB LEU 65 1.698 -2.437 -1.675 492 2HB LEU 65 2HB LEU 65 0.926 -3.762 -0.829 493 HG LEU 65 HG LEU 65 2.844 -2.008 0.670 494 1HD1 LEU 65 1HD1 LEU 65 0.140 -1.042 0.955 495 2HD1 LEU 65 2HD1 LEU 65 1.629 -0.156 0.548 496 3HD1 LEU 65 3HD1 LEU 65 0.669 -0.924 -0.740 497 1HD2 LEU 65 1HD2 LEU 65 1.677 -2.688 2.572 498 2HD2 LEU 65 2HD2 LEU 65 0.239 -3.169 1.640 499 3HD2 LEU 65 3HD2 LEU 65 1.721 -4.150 1.558 500 H GLU 66 H GLU 66 3.991 -3.394 -3.413 501 HA GLU 66 HA GLU 66 2.520 -5.354 -4.825 502 1HB GLU 66 1HB GLU 66 4.566 -3.253 -5.523 503 2HB GLU 66 2HB GLU 66 4.245 -4.517 -6.694 504 1HG GLU 66 1HG GLU 66 1.828 -3.970 -6.671 505 2HG GLU 66 2HG GLU 66 2.083 -2.774 -5.417 506 H GLU 67 H GLU 67 5.494 -5.322 -3.056 507 HA GLU 67 HA GLU 67 6.611 -7.470 -4.621 508 1HB GLU 67 1HB GLU 67 7.589 -5.742 -2.341 509 2HB GLU 67 2HB GLU 67 8.400 -7.261 -2.668 510 1HG GLU 67 1HG GLU 67 7.885 -5.649 -5.107 511 2HG GLU 67 2HG GLU 67 8.927 -4.846 -3.950 512 H LEU 68 H LEU 68 4.982 -6.837 -1.506 513 HA LEU 68 HA LEU 68 5.482 -9.489 -0.530 514 1HB LEU 68 1HB LEU 68 3.770 -7.205 0.449 515 2HB LEU 68 2HB LEU 68 3.890 -8.748 1.270 516 HG LEU 68 HG LEU 68 6.272 -6.965 0.708 517 1HD1 LEU 68 1HD1 LEU 68 4.575 -7.150 3.211 518 2HD1 LEU 68 2HD1 LEU 68 6.140 -6.311 3.088 519 3HD1 LEU 68 3HD1 LEU 68 4.749 -5.744 2.133 520 1HD2 LEU 68 1HD2 LEU 68 5.870 -9.535 2.204 521 2HD2 LEU 68 2HD2 LEU 68 7.157 -9.065 1.069 522 3HD2 LEU 68 3HD2 LEU 68 7.136 -8.393 2.717 523 H LEU 69 H LEU 69 3.219 -7.918 -2.661 524 HA LEU 69 HA LEU 69 0.972 -9.511 -2.199 525 1HB LEU 69 1HB LEU 69 1.822 -7.471 -3.997 526 2HB LEU 69 2HB LEU 69 1.161 -8.784 -4.950 527 HG LEU 69 HG LEU 69 -0.416 -7.866 -2.585 528 1HD1 LEU 69 1HD1 LEU 69 -1.384 -5.996 -3.735 529 2HD1 LEU 69 2HD1 LEU 69 0.382 -5.777 -3.689 530 3HD1 LEU 69 3HD1 LEU 69 -0.409 -6.319 -5.189 531 1HD2 LEU 69 1HD2 LEU 69 -1.712 -8.271 -5.194 532 2HD2 LEU 69 2HD2 LEU 69 -0.845 -9.696 -4.574 533 3HD2 LEU 69 3HD2 LEU 69 -2.114 -8.929 -3.589 534 HA PRO 70 HA PRO 70 2.711 -12.419 -5.464 535 1HB PRO 70 1HB PRO 70 5.117 -11.931 -6.667 536 2HB PRO 70 2HB PRO 70 3.584 -11.444 -7.360 537 1HG PRO 70 1HG PRO 70 5.626 -9.778 -6.022 538 2HG PRO 70 2HG PRO 70 4.319 -9.276 -7.077 539 1HD PRO 70 1HD PRO 70 4.402 -9.041 -4.220 540 2HD PRO 70 2HD PRO 70 3.051 -8.649 -5.265 541 H LYS 71 H LYS 71 4.470 -11.192 -2.922 542 HA LYS 71 HA LYS 71 5.877 -13.760 -2.676 543 1HB LYS 71 1HB LYS 71 6.645 -11.066 -1.513 544 2HB LYS 71 2HB LYS 71 7.522 -12.568 -1.299 545 1HG LYS 71 1HG LYS 71 7.788 -12.715 -3.817 546 2HG LYS 71 2HG LYS 71 7.020 -11.147 -3.957 547 1HD LYS 71 1HD LYS 71 9.102 -10.257 -3.740 548 2HD LYS 71 2HD LYS 71 8.985 -10.664 -2.039 549 1HE LYS 71 1HE LYS 71 9.875 -12.827 -3.949 550 2HE LYS 71 2HE LYS 71 11.016 -11.555 -3.560 551 1HZ LYS 71 1HZ LYS 71 9.757 -13.464 -1.747 552 2HZ LYS 71 2HZ LYS 71 11.343 -13.129 -1.938 553 3HZ LYS 71 3HZ LYS 71 10.370 -12.065 -1.171 554 H GLY 72 H GLY 72 3.018 -12.727 -1.942 555 1HA GLY 72 1HA GLY 72 3.145 -13.099 0.970 556 2HA GLY 72 2HA GLY 72 1.800 -12.457 0.047 557 H SER 73 H SER 73 0.383 -14.012 1.132 558 HA SER 73 HA SER 73 0.877 -16.764 0.360 559 1HB SER 73 1HB SER 73 -0.482 -15.413 2.615 560 2HB SER 73 2HB SER 73 -1.403 -16.754 1.963 561 HG SER 73 HG SER 73 -0.097 -17.783 3.391 562 H LYS 74 H LYS 74 -2.318 -15.280 1.052 563 HA LYS 74 HA LYS 74 -3.043 -15.089 -1.699 564 1HB LYS 74 1HB LYS 74 -3.119 -17.645 -0.854 565 2HB LYS 74 2HB LYS 74 -4.701 -17.133 -0.305 566 1HG LYS 74 1HG LYS 74 -5.478 -17.334 -2.424 567 2HG LYS 74 2HG LYS 74 -4.406 -16.041 -2.924 568 1HD LYS 74 1HD LYS 74 -2.661 -17.565 -3.542 569 2HD LYS 74 2HD LYS 74 -3.377 -18.889 -2.644 570 1HE LYS 74 1HE LYS 74 -4.880 -19.403 -4.321 571 2HE LYS 74 2HE LYS 74 -5.132 -17.725 -4.760 572 1HZ LYS 74 1HZ LYS 74 -3.654 -17.944 -6.357 573 2HZ LYS 74 2HZ LYS 74 -2.496 -18.475 -5.336 574 3HZ LYS 74 3HZ LYS 74 -3.524 -19.539 -6.030 575 H GLU 75 H GLU 75 -4.662 -15.844 1.471 576 HA GLU 75 HA GLU 75 -6.664 -13.963 1.015 577 1HB GLU 75 1HB GLU 75 -5.711 -15.193 3.639 578 2HB GLU 75 2HB GLU 75 -7.231 -14.351 3.418 579 1HG GLU 75 1HG GLU 75 -6.890 -16.419 1.369 580 2HG GLU 75 2HG GLU 75 -6.726 -17.106 2.974 581 H GLU 76 H GLU 76 -3.368 -13.550 1.760 582 HA GLU 76 HA GLU 76 -3.782 -11.210 3.372 583 1HB GLU 76 1HB GLU 76 -1.441 -12.876 2.519 584 2HB GLU 76 2HB GLU 76 -1.114 -11.187 2.853 585 1HG GLU 76 1HG GLU 76 -2.805 -12.029 4.970 586 2HG GLU 76 2HG GLU 76 -1.695 -13.362 4.727 587 H GLN 77 H GLN 77 -3.679 -12.052 0.038 588 HA GLN 77 HA GLN 77 -2.448 -9.691 -0.894 589 1HB GLN 77 1HB GLN 77 -3.854 -12.045 -2.077 590 2HB GLN 77 2HB GLN 77 -3.893 -10.582 -3.041 591 1HG GLN 77 1HG GLN 77 -1.321 -10.442 -2.601 592 2HG GLN 77 2HG GLN 77 -1.448 -12.102 -2.055 593 1HE2 GLN 77 1HE2 GLN 77 -0.001 -12.546 -3.817 594 2HE2 GLN 77 2HE2 GLN 77 -0.609 -12.790 -5.420 595 H ARG 78 H ARG 78 -5.481 -10.351 0.538 596 HA ARG 78 HA ARG 78 -6.994 -8.538 -1.016 597 1HB ARG 78 1HB ARG 78 -7.443 -9.956 1.645 598 2HB ARG 78 2HB ARG 78 -8.603 -8.789 1.042 599 1HG ARG 78 1HG ARG 78 -9.471 -10.765 0.141 600 2HG ARG 78 2HG ARG 78 -8.480 -10.210 -1.194 601 1HD ARG 78 1HD ARG 78 -7.043 -11.980 -1.013 602 2HD ARG 78 2HD ARG 78 -6.928 -11.824 0.729 603 HE ARG 78 HE ARG 78 -8.727 -13.344 0.989 604 1HH1 ARG 78 1HH1 ARG 78 -8.297 -12.496 -2.400 605 2HH1 ARG 78 2HH1 ARG 78 -9.338 -13.754 -2.979 606 1HH2 ARG 78 1HH2 ARG 78 -10.099 -15.004 0.225 607 2HH2 ARG 78 2HH2 ARG 78 -10.370 -15.191 -1.475 608 H ASP 79 H ASP 79 -4.765 -8.339 1.680 609 HA ASP 79 HA ASP 79 -5.835 -5.860 2.623 610 1HB ASP 79 1HB ASP 79 -3.969 -7.882 3.546 611 2HB ASP 79 2HB ASP 79 -3.170 -6.322 3.598 612 H TYR 80 H TYR 80 -3.125 -7.160 0.647 613 HA TYR 80 HA TYR 80 -1.620 -4.801 0.479 614 1HB TYR 80 1HB TYR 80 -2.093 -7.238 -1.346 615 2HB TYR 80 2HB TYR 80 -0.811 -6.081 -1.644 616 HD1 TYR 80 1HD TYR 80 -0.179 -5.690 1.409 617 HD2 TYR 80 2HD TYR 80 -0.606 -9.130 -1.099 618 HE1 TYR 80 1HE TYR 80 1.362 -7.008 2.943 619 HE2 TYR 80 2HE TYR 80 0.937 -10.436 0.444 620 HH TYR 80 HH TYR 80 2.410 -10.258 2.085 621 H VAL 81 H VAL 81 -3.586 -6.320 -2.176 622 HA VAL 81 HA VAL 81 -3.597 -4.306 -3.929 623 HB VAL 81 HB VAL 81 -5.971 -6.007 -3.138 624 1HG1 VAL 81 1HG1 VAL 81 -5.396 -4.272 -5.529 625 2HG1 VAL 81 2HG1 VAL 81 -6.398 -5.733 -5.705 626 3HG1 VAL 81 3HG1 VAL 81 -6.895 -4.442 -4.584 627 1HG2 VAL 81 1HG2 VAL 81 -4.648 -6.965 -5.475 628 2HG2 VAL 81 2HG2 VAL 81 -3.415 -6.720 -4.215 629 3HG2 VAL 81 3HG2 VAL 81 -4.823 -7.761 -3.893 630 H PHE 82 H PHE 82 -5.927 -4.615 -1.159 631 HA PHE 82 HA PHE 82 -7.463 -2.465 -1.517 632 1HB PHE 82 1HB PHE 82 -7.504 -4.059 0.424 633 2HB PHE 82 2HB PHE 82 -5.983 -3.412 1.008 634 HD1 PHE 82 1HD PHE 82 -6.586 -2.600 3.120 635 HD2 PHE 82 2HD PHE 82 -8.890 -1.482 -0.263 636 HE1 PHE 82 1HE PHE 82 -7.834 -0.932 4.522 637 HE2 PHE 82 2HE PHE 82 -10.138 0.186 1.138 638 HZ PHE 82 HZ PHE 82 -9.595 0.441 3.513 639 H TYR 83 H TYR 83 -4.073 -2.437 -0.282 640 HA TYR 83 HA TYR 83 -4.146 0.415 0.109 641 1HB TYR 83 1HB TYR 83 -2.092 -1.869 0.183 642 2HB TYR 83 2HB TYR 83 -1.587 -0.211 0.439 643 HD1 TYR 83 1HD TYR 83 -0.809 -1.670 2.591 644 HD2 TYR 83 2HD TYR 83 -4.807 -0.396 1.755 645 HE1 TYR 83 1HE TYR 83 -1.397 -1.871 5.057 646 HE2 TYR 83 2HE TYR 83 -5.382 -0.601 4.224 647 HH TYR 83 HH TYR 83 -3.739 -2.315 6.318 648 H LEU 84 H LEU 84 -2.458 -1.910 -2.116 649 HA LEU 84 HA LEU 84 -0.961 -0.248 -3.577 650 1HB LEU 84 1HB LEU 84 -2.542 -2.686 -4.221 651 2HB LEU 84 2HB LEU 84 -1.846 -1.793 -5.559 652 HG LEU 84 HG LEU 84 0.394 -1.970 -4.371 653 1HD1 LEU 84 1HD1 LEU 84 -0.228 -2.458 -2.137 654 2HD1 LEU 84 2HD1 LEU 84 -1.211 -3.855 -2.637 655 3HD1 LEU 84 3HD1 LEU 84 0.562 -3.920 -2.774 656 1HD2 LEU 84 1HD2 LEU 84 -1.035 -4.433 -5.393 657 2HD2 LEU 84 2HD2 LEU 84 -0.003 -3.302 -6.300 658 3HD2 LEU 84 3HD2 LEU 84 0.713 -4.368 -5.067 659 H ALA 85 H ALA 85 -4.535 -0.625 -3.800 660 HA ALA 85 HA ALA 85 -4.774 1.144 -6.005 661 1HB ALA 85 1HB ALA 85 -6.948 0.516 -3.997 662 2HB ALA 85 2HB ALA 85 -7.087 0.791 -5.750 663 3HB ALA 85 3HB ALA 85 -6.370 -0.720 -5.141 664 H VAL 86 H VAL 86 -5.515 1.469 -2.458 665 HA VAL 86 HA VAL 86 -6.307 4.024 -2.348 666 HB VAL 86 HB VAL 86 -4.644 2.303 -0.562 667 1HG1 VAL 86 1HG1 VAL 86 -5.348 5.188 0.076 668 2HG1 VAL 86 2HG1 VAL 86 -4.599 4.012 1.183 669 3HG1 VAL 86 3HG1 VAL 86 -3.712 4.568 -0.257 670 1HG2 VAL 86 1HG2 VAL 86 -7.135 2.057 -0.812 671 2HG2 VAL 86 2HG2 VAL 86 -6.580 2.354 0.853 672 3HG2 VAL 86 3HG2 VAL 86 -7.307 3.676 -0.092 673 H GLY 87 H GLY 87 -2.855 2.913 -2.444 674 1HA GLY 87 1HA GLY 87 -1.729 5.493 -2.415 675 2HA GLY 87 2HA GLY 87 -0.961 4.013 -2.953 676 H ASN 88 H ASN 88 -2.482 3.196 -5.133 677 HA ASN 88 HA ASN 88 -1.461 4.685 -7.151 678 1HB ASN 88 1HB ASN 88 -3.692 2.676 -6.899 679 2HB ASN 88 2HB ASN 88 -3.646 3.595 -8.391 680 1HD2 ASN 88 1HD2 ASN 88 -2.638 0.854 -6.915 681 2HD2 ASN 88 2HD2 ASN 88 -1.241 0.450 -7.854 682 H TYR 89 H TYR 89 -4.889 4.626 -5.899 683 HA TYR 89 HA TYR 89 -6.051 6.470 -7.494 684 1HB TYR 89 1HB TYR 89 -7.319 5.339 -5.770 685 2HB TYR 89 2HB TYR 89 -6.150 5.745 -4.529 686 HD1 TYR 89 1HD TYR 89 -6.583 7.514 -3.063 687 HD2 TYR 89 2HD TYR 89 -8.660 7.352 -6.800 688 HE1 TYR 89 1HE TYR 89 -8.028 9.483 -2.354 689 HE2 TYR 89 2HE TYR 89 -10.097 9.320 -6.079 690 HH TYR 89 HH TYR 89 -10.852 10.308 -3.941 691 H ARG 90 H ARG 90 -4.194 7.173 -4.451 692 HA ARG 90 HA ARG 90 -4.562 9.852 -4.435 693 1HB ARG 90 1HB ARG 90 -3.005 8.002 -3.024 694 2HB ARG 90 2HB ARG 90 -1.792 9.049 -3.731 695 1HG ARG 90 1HG ARG 90 -4.205 10.266 -2.356 696 2HG ARG 90 2HG ARG 90 -2.868 9.673 -1.392 697 1HD ARG 90 1HD ARG 90 -1.472 11.388 -2.031 698 2HD ARG 90 2HD ARG 90 -2.023 11.357 -3.694 699 HE ARG 90 HE ARG 90 -4.102 12.366 -1.944 700 1HH1 ARG 90 1HH1 ARG 90 -1.098 13.283 -3.532 701 2HH1 ARG 90 2HH1 ARG 90 -1.484 14.971 -3.568 702 1HH2 ARG 90 1HH2 ARG 90 -4.611 14.593 -1.993 703 2HH2 ARG 90 2HH2 ARG 90 -3.495 15.721 -2.686 704 H LEU 91 H LEU 91 -2.399 7.864 -6.457 705 HA LEU 91 HA LEU 91 -1.085 10.240 -7.497 706 1HB LEU 91 1HB LEU 91 -0.602 7.398 -8.346 707 2HB LEU 91 2HB LEU 91 0.462 8.782 -8.495 708 HG LEU 91 HG LEU 91 -0.319 7.947 -5.738 709 1HD1 LEU 91 1HD1 LEU 91 0.225 5.851 -7.120 710 2HD1 LEU 91 2HD1 LEU 91 1.894 6.471 -7.156 711 3HD1 LEU 91 3HD1 LEU 91 1.113 6.107 -5.599 712 1HD2 LEU 91 1HD2 LEU 91 1.317 9.870 -6.671 713 2HD2 LEU 91 2HD2 LEU 91 1.536 9.065 -5.099 714 3HD2 LEU 91 3HD2 LEU 91 2.483 8.535 -6.510 715 H LYS 92 H LYS 92 -4.032 9.643 -7.852 716 HA LYS 92 HA LYS 92 -5.568 9.628 -9.445 717 1HB LYS 92 1HB LYS 92 -5.263 11.162 -11.222 718 2HB LYS 92 2HB LYS 92 -4.328 11.780 -9.875 719 1HG LYS 92 1HG LYS 92 -2.260 11.195 -10.856 720 2HG LYS 92 2HG LYS 92 -2.971 9.956 -11.870 721 1HD LYS 92 1HD LYS 92 -4.255 11.937 -13.025 722 2HD LYS 92 2HD LYS 92 -3.079 12.971 -12.238 723 1HE LYS 92 1HE LYS 92 -1.678 12.554 -13.978 724 2HE LYS 92 2HE LYS 92 -1.507 10.922 -13.361 725 1HZ LYS 92 1HZ LYS 92 -2.757 11.739 -15.693 726 2HZ LYS 92 2HZ LYS 92 -2.566 10.215 -15.136 727 3HZ LYS 92 3HZ LYS 92 -3.903 11.067 -14.743 728 H GLU 93 H GLU 93 -3.753 7.269 -9.188 729 HA GLU 93 HA GLU 93 -3.509 6.384 -11.911 730 1HB GLU 93 1HB GLU 93 -2.761 5.177 -9.223 731 2HB GLU 93 2HB GLU 93 -2.647 4.251 -10.707 732 1HG GLU 93 1HG GLU 93 -1.396 6.994 -10.673 733 2HG GLU 93 2HG GLU 93 -0.585 5.722 -9.783 734 H TYR 94 H TYR 94 -6.180 6.965 -11.286 735 HA TYR 94 HA TYR 94 -7.832 5.218 -10.173 736 1HB TYR 94 1HB TYR 94 -8.052 6.139 -13.101 737 2HB TYR 94 2HB TYR 94 -9.388 5.897 -11.991 738 HD1 TYR 94 1HD TYR 94 -8.463 8.409 -13.690 739 HD2 TYR 94 2HD TYR 94 -8.122 7.307 -9.571 740 HE1 TYR 94 1HE TYR 94 -8.369 10.865 -13.034 741 HE2 TYR 94 2HE TYR 94 -8.029 9.765 -8.928 742 HH TYR 94 HH TYR 94 -7.433 12.183 -11.137 743 H GLU 95 H GLU 95 -6.564 4.774 -13.557 744 HA GLU 95 HA GLU 95 -7.726 2.472 -14.182 745 1HB GLU 95 1HB GLU 95 -4.903 3.447 -14.711 746 2HB GLU 95 2HB GLU 95 -5.464 1.930 -15.386 747 1HG GLU 95 1HG GLU 95 -7.076 4.487 -15.729 748 2HG GLU 95 2HG GLU 95 -5.754 4.102 -16.813 749 H LYS 96 H LYS 96 -4.332 2.417 -12.876 750 HA LYS 96 HA LYS 96 -4.305 -0.247 -12.247 751 1HB LYS 96 1HB LYS 96 -2.845 2.043 -10.896 752 2HB LYS 96 2HB LYS 96 -2.439 0.348 -10.717 753 1HG LYS 96 1HG LYS 96 -2.625 1.624 -13.472 754 2HG LYS 96 2HG LYS 96 -1.159 1.751 -12.520 755 1HD LYS 96 1HD LYS 96 -1.124 -0.776 -12.322 756 2HD LYS 96 2HD LYS 96 -2.518 -0.846 -13.383 757 1HE LYS 96 1HE LYS 96 -1.279 0.095 -15.239 758 2HE LYS 96 2HE LYS 96 0.049 0.578 -14.204 759 1HZ LYS 96 1HZ LYS 96 0.304 -1.534 -15.519 760 2HZ LYS 96 2HZ LYS 96 0.701 -1.612 -13.937 761 3HZ LYS 96 3HZ LYS 96 -0.718 -2.233 -14.454 762 H ALA 97 H ALA 97 -5.148 2.538 -10.075 763 HA ALA 97 HA ALA 97 -5.636 1.277 -7.767 764 1HB ALA 97 1HB ALA 97 -7.534 2.979 -7.503 765 2HB ALA 97 2HB ALA 97 -5.937 3.636 -7.936 766 3HB ALA 97 3HB ALA 97 -7.197 3.463 -9.183 767 H LEU 98 H LEU 98 -8.336 1.843 -10.137 768 HA LEU 98 HA LEU 98 -10.109 0.107 -8.990 769 1HB LEU 98 1HB LEU 98 -9.800 1.529 -11.492 770 2HB LEU 98 2HB LEU 98 -10.558 -0.029 -11.751 771 HG LEU 98 HG LEU 98 -12.241 1.678 -11.444 772 1HD1 LEU 98 1HD1 LEU 98 -11.957 -0.508 -9.446 773 2HD1 LEU 98 2HD1 LEU 98 -13.232 0.700 -9.161 774 3HD1 LEU 98 3HD1 LEU 98 -13.209 -0.226 -10.680 775 1HD2 LEU 98 1HD2 LEU 98 -12.204 2.456 -8.795 776 2HD2 LEU 98 2HD2 LEU 98 -10.489 2.531 -9.264 777 3HD2 LEU 98 3HD2 LEU 98 -11.706 3.443 -10.189 778 H LYS 99 H LYS 99 -7.867 -0.609 -11.763 779 HA LYS 99 HA LYS 99 -8.414 -3.186 -12.195 780 1HB LYS 99 1HB LYS 99 -6.104 -1.451 -12.508 781 2HB LYS 99 2HB LYS 99 -5.607 -3.101 -12.195 782 1HG LYS 99 1HG LYS 99 -6.951 -3.941 -14.053 783 2HG LYS 99 2HG LYS 99 -7.722 -2.384 -14.274 784 1HD LYS 99 1HD LYS 99 -6.094 -1.863 -15.764 785 2HD LYS 99 2HD LYS 99 -4.960 -1.810 -14.429 786 1HE LYS 99 1HE LYS 99 -5.093 -4.528 -14.845 787 2HE LYS 99 2HE LYS 99 -5.385 -3.950 -16.473 788 1HZ LYS 99 1HZ LYS 99 -3.281 -3.366 -16.646 789 2HZ LYS 99 2HZ LYS 99 -3.288 -2.519 -15.249 790 3HZ LYS 99 3HZ LYS 99 -2.977 -4.122 -15.231 791 H TYR 100 H TYR 100 -6.954 -1.805 -9.277 792 HA TYR 100 HA TYR 100 -6.376 -4.481 -8.266 793 1HB TYR 100 1HB TYR 100 -5.628 -1.611 -7.813 794 2HB TYR 100 2HB TYR 100 -5.830 -2.508 -6.322 795 HD1 TYR 100 1HD TYR 100 -3.303 -1.268 -7.918 796 HD2 TYR 100 2HD TYR 100 -4.811 -5.202 -7.178 797 HE1 TYR 100 1HE TYR 100 -0.959 -2.221 -8.167 798 HE2 TYR 100 2HE TYR 100 -2.462 -6.143 -7.430 799 HH TYR 100 HH TYR 100 -0.288 -5.573 -7.423 800 H VAL 101 H VAL 101 -8.490 -1.625 -7.725 801 HA VAL 101 HA VAL 101 -9.621 -2.708 -5.342 802 HB VAL 101 HB VAL 101 -9.806 -0.295 -6.982 803 1HG1 VAL 101 1HG1 VAL 101 -12.072 0.344 -6.204 804 2HG1 VAL 101 2HG1 VAL 101 -12.098 -1.027 -7.339 805 3HG1 VAL 101 3HG1 VAL 101 -12.309 -1.311 -5.594 806 1HG2 VAL 101 1HG2 VAL 101 -9.141 -1.000 -4.365 807 2HG2 VAL 101 2HG2 VAL 101 -9.281 0.648 -5.023 808 3HG2 VAL 101 3HG2 VAL 101 -10.671 -0.104 -4.206 809 H ARG 102 H ARG 102 -9.853 -3.519 -8.633 810 HA ARG 102 HA ARG 102 -12.634 -4.194 -8.493 811 1HB ARG 102 1HB ARG 102 -10.491 -4.521 -10.644 812 2HB ARG 102 2HB ARG 102 -12.109 -5.165 -10.843 813 1HG ARG 102 1HG ARG 102 -11.445 -2.232 -10.303 814 2HG ARG 102 2HG ARG 102 -11.859 -2.897 -11.871 815 1HD ARG 102 1HD ARG 102 -13.890 -3.707 -9.962 816 2HD ARG 102 2HD ARG 102 -13.647 -1.978 -9.817 817 HE ARG 102 HE ARG 102 -14.457 -1.677 -12.018 818 1HH1 ARG 102 1HH1 ARG 102 -13.991 -5.098 -11.341 819 2HH1 ARG 102 2HH1 ARG 102 -14.840 -5.624 -12.756 820 1HH2 ARG 102 1HH2 ARG 102 -15.576 -2.370 -13.886 821 2HH2 ARG 102 2HH2 ARG 102 -15.747 -4.062 -14.214 822 H GLY 103 H GLY 103 -9.516 -5.955 -9.199 823 1HA GLY 103 1HA GLY 103 -10.557 -8.540 -8.989 824 2HA GLY 103 2HA GLY 103 -8.877 -8.074 -8.814 825 H LEU 104 H LEU 104 -9.691 -6.142 -6.532 826 HA LEU 104 HA LEU 104 -9.358 -8.087 -4.455 827 1HB LEU 104 1HB LEU 104 -8.126 -6.005 -4.431 828 2HB LEU 104 2HB LEU 104 -9.613 -5.077 -4.430 829 HG LEU 104 HG LEU 104 -8.335 -5.344 -2.221 830 1HD1 LEU 104 1HD1 LEU 104 -11.156 -5.254 -2.816 831 2HD1 LEU 104 2HD1 LEU 104 -10.873 -6.075 -1.262 832 3HD1 LEU 104 3HD1 LEU 104 -10.236 -4.435 -1.530 833 1HD2 LEU 104 1HD2 LEU 104 -8.587 -7.307 -0.941 834 2HD2 LEU 104 2HD2 LEU 104 -9.774 -7.995 -2.076 835 3HD2 LEU 104 3HD2 LEU 104 -8.065 -7.851 -2.555 836 H LEU 105 H LEU 105 -11.941 -5.887 -5.655 837 HA LEU 105 HA LEU 105 -13.718 -6.478 -3.537 838 1HB LEU 105 1HB LEU 105 -13.789 -5.042 -6.125 839 2HB LEU 105 2HB LEU 105 -15.327 -5.636 -5.531 840 HG LEU 105 HG LEU 105 -13.468 -3.914 -3.875 841 1HD1 LEU 105 1HD1 LEU 105 -14.421 -2.933 -6.115 842 2HD1 LEU 105 2HD1 LEU 105 -15.931 -2.816 -5.181 843 3HD1 LEU 105 3HD1 LEU 105 -14.466 -1.979 -4.612 844 1HD2 LEU 105 1HD2 LEU 105 -14.894 -4.942 -2.375 845 2HD2 LEU 105 2HD2 LEU 105 -15.766 -3.436 -2.750 846 3HD2 LEU 105 3HD2 LEU 105 -16.259 -4.964 -3.518 847 H GLN 106 H GLN 106 -12.995 -7.932 -6.723 848 HA GLN 106 HA GLN 106 -15.204 -9.457 -7.059 849 1HB GLN 106 1HB GLN 106 -12.521 -9.365 -8.081 850 2HB GLN 106 2HB GLN 106 -12.892 -11.045 -7.747 851 1HG GLN 106 1HG GLN 106 -15.216 -9.832 -8.976 852 2HG GLN 106 2HG GLN 106 -13.810 -9.428 -9.942 853 1HE2 GLN 106 1HE2 GLN 106 -13.633 -10.753 -11.571 854 2HE2 GLN 106 2HE2 GLN 106 -13.828 -12.474 -11.558 855 H THR 107 H THR 107 -12.221 -10.283 -5.161 856 HA THR 107 HA THR 107 -13.503 -12.689 -4.168 857 HB THR 107 HB THR 107 -11.076 -12.589 -4.877 858 HG1 THR 107 1HG THR 107 -11.522 -14.173 -3.317 859 1HG2 THR 107 1HG2 THR 107 -11.006 -10.206 -3.381 860 2HG2 THR 107 2HG2 THR 107 -10.231 -11.396 -2.310 861 3HG2 THR 107 3HG2 THR 107 -9.584 -11.117 -3.944 862 H GLU 108 H GLU 108 -13.270 -9.340 -3.321 863 HA GLU 108 HA GLU 108 -14.363 -10.058 -0.720 864 1HB GLU 108 1HB GLU 108 -12.474 -7.711 -1.181 865 2HB GLU 108 2HB GLU 108 -13.127 -8.246 0.355 866 1HG GLU 108 1HG GLU 108 -11.560 -10.221 -1.315 867 2HG GLU 108 2HG GLU 108 -10.681 -8.988 -0.432 868 HA PRO 109 HA PRO 109 -17.019 -7.164 -3.037 869 1HB PRO 109 1HB PRO 109 -19.279 -8.697 -3.138 870 2HB PRO 109 2HB PRO 109 -18.107 -8.633 -4.439 871 1HG PRO 109 1HG PRO 109 -18.559 -10.780 -2.457 872 2HG PRO 109 2HG PRO 109 -17.715 -10.861 -3.991 873 1HD PRO 109 1HD PRO 109 -16.529 -10.746 -1.381 874 2HD PRO 109 2HD PRO 109 -15.687 -10.712 -2.918 875 H GLN 110 H GLN 110 -17.290 -8.950 -0.132 876 HA GLN 110 HA GLN 110 -19.444 -7.334 0.810 877 1HB GLN 110 1HB GLN 110 -18.936 -8.578 2.998 878 2HB GLN 110 2HB GLN 110 -19.429 -9.567 1.638 879 1HG GLN 110 1HG GLN 110 -17.220 -10.362 1.246 880 2HG GLN 110 2HG GLN 110 -16.481 -9.040 2.128 881 1HE2 GLN 110 1HE2 GLN 110 -17.112 -12.219 2.224 882 2HE2 GLN 110 2HE2 GLN 110 -17.171 -12.521 3.930 883 H ASN 111 H ASN 111 -16.031 -7.021 0.511 884 HA ASN 111 HA ASN 111 -15.495 -5.637 2.870 885 1HB ASN 111 1HB ASN 111 -13.745 -6.628 1.360 886 2HB ASN 111 2HB ASN 111 -14.138 -5.445 0.128 887 1HD2 ASN 111 1HD2 ASN 111 -11.675 -6.013 1.687 888 2HD2 ASN 111 2HD2 ASN 111 -11.189 -4.512 2.402 889 H ASN 112 H ASN 112 -16.346 -3.625 3.415 890 HA ASN 112 HA ASN 112 -17.668 -2.076 1.485 891 1HB ASN 112 1HB ASN 112 -16.745 -1.094 4.225 892 2HB ASN 112 2HB ASN 112 -18.156 -0.572 3.325 893 1HD2 ASN 112 1HD2 ASN 112 -18.386 -1.347 5.913 894 2HD2 ASN 112 2HD2 ASN 112 -19.243 -2.845 6.051 895 H GLN 113 H GLN 113 -14.620 -1.711 3.443 896 HA GLN 113 HA GLN 113 -13.796 0.709 2.738 897 1HB GLN 113 1HB GLN 113 -12.184 -1.858 2.987 898 2HB GLN 113 2HB GLN 113 -11.415 -0.295 2.799 899 1HG GLN 113 1HG GLN 113 -11.870 0.327 4.952 900 2HG GLN 113 2HG GLN 113 -13.514 -0.274 4.878 901 1HE2 GLN 113 1HE2 GLN 113 -13.916 -1.769 6.301 902 2HE2 GLN 113 2HE2 GLN 113 -12.852 -3.020 6.851 903 H ALA 114 H ALA 114 -13.482 -2.280 0.728 904 HA ALA 114 HA ALA 114 -12.112 -0.965 -1.375 905 1HB ALA 114 1HB ALA 114 -12.296 -3.050 -2.492 906 2HB ALA 114 2HB ALA 114 -12.186 -3.468 -0.765 907 3HB ALA 114 3HB ALA 114 -13.764 -3.499 -1.590 908 H LYS 115 H LYS 115 -15.542 -2.090 -0.944 909 HA LYS 115 HA LYS 115 -16.623 -1.322 -3.271 910 1HB LYS 115 1HB LYS 115 -17.576 -1.546 -0.488 911 2HB LYS 115 2HB LYS 115 -18.559 -0.509 -1.502 912 1HG LYS 115 1HG LYS 115 -18.537 -2.397 -3.254 913 2HG LYS 115 2HG LYS 115 -17.805 -3.417 -2.033 914 1HD LYS 115 1HD LYS 115 -19.743 -3.528 -0.748 915 2HD LYS 115 2HD LYS 115 -20.279 -1.926 -1.214 916 1HE LYS 115 1HE LYS 115 -20.656 -2.924 -3.590 917 2HE LYS 115 2HE LYS 115 -20.469 -4.496 -2.838 918 1HZ LYS 115 1HZ LYS 115 -22.280 -3.991 -1.387 919 2HZ LYS 115 2HZ LYS 115 -22.415 -2.472 -1.971 920 3HZ LYS 115 3HZ LYS 115 -22.765 -3.749 -2.927 921 H GLU 116 H GLU 116 -16.182 0.884 -0.415 922 HA GLU 116 HA GLU 116 -17.129 3.138 -1.570 923 1HB GLU 116 1HB GLU 116 -15.108 2.549 0.568 924 2HB GLU 116 2HB GLU 116 -15.163 4.195 -0.033 925 1HG GLU 116 1HG GLU 116 -17.864 3.628 0.285 926 2HG GLU 116 2HG GLU 116 -17.157 2.711 1.599 927 H LEU 117 H LEU 117 -13.619 2.163 -1.436 928 HA LEU 117 HA LEU 117 -12.516 4.114 -2.901 929 1HB LEU 117 1HB LEU 117 -11.911 1.374 -2.241 930 2HB LEU 117 2HB LEU 117 -11.342 1.742 -3.858 931 HG LEU 117 HG LEU 117 -10.633 3.252 -1.328 932 1HD1 LEU 117 1HD1 LEU 117 -8.322 2.254 -2.542 933 2HD1 LEU 117 2HD1 LEU 117 -9.101 1.667 -1.054 934 3HD1 LEU 117 3HD1 LEU 117 -9.498 0.921 -2.620 935 1HD2 LEU 117 1HD2 LEU 117 -9.627 4.873 -2.520 936 2HD2 LEU 117 2HD2 LEU 117 -9.108 3.759 -3.808 937 3HD2 LEU 117 3HD2 LEU 117 -10.775 4.381 -3.788 938 H GLU 118 H GLU 118 -13.808 1.050 -4.381 939 HA GLU 118 HA GLU 118 -13.497 1.535 -6.933 940 1HB GLU 118 1HB GLU 118 -14.763 -0.387 -5.850 941 2HB GLU 118 2HB GLU 118 -16.183 0.638 -5.805 942 1HG GLU 118 1HG GLU 118 -15.530 0.961 -8.424 943 2HG GLU 118 2HG GLU 118 -14.820 -0.621 -8.168 944 H ARG 119 H ARG 119 -16.423 2.758 -5.137 945 HA ARG 119 HA ARG 119 -17.318 4.275 -7.267 946 1HB ARG 119 1HB ARG 119 -17.831 4.252 -4.282 947 2HB ARG 119 2HB ARG 119 -18.488 5.572 -5.231 948 1HG ARG 119 1HG ARG 119 -19.075 3.213 -6.712 949 2HG ARG 119 2HG ARG 119 -19.411 2.806 -5.042 950 1HD ARG 119 1HD ARG 119 -20.674 5.123 -4.974 951 2HD ARG 119 2HD ARG 119 -20.640 5.018 -6.722 952 HE ARG 119 HE ARG 119 -21.571 2.514 -5.737 953 1HH1 ARG 119 1HH1 ARG 119 -22.618 5.871 -5.871 954 2HH1 ARG 119 2HH1 ARG 119 -24.305 5.479 -5.861 955 1HH2 ARG 119 1HH2 ARG 119 -23.797 1.996 -5.723 956 2HH2 ARG 119 2HH2 ARG 119 -24.981 3.259 -5.777 957 H LEU 120 H LEU 120 -15.361 5.122 -4.332 958 HA LEU 120 HA LEU 120 -15.190 7.816 -4.618 959 1HB LEU 120 1HB LEU 120 -13.094 5.834 -3.731 960 2HB LEU 120 2HB LEU 120 -12.933 7.568 -3.548 961 HG LEU 120 HG LEU 120 -15.079 5.838 -2.287 962 1HD1 LEU 120 1HD1 LEU 120 -12.441 6.139 -1.517 963 2HD1 LEU 120 2HD1 LEU 120 -13.303 7.329 -0.511 964 3HD1 LEU 120 3HD1 LEU 120 -13.791 5.618 -0.481 965 1HD2 LEU 120 1HD2 LEU 120 -16.079 7.943 -2.701 966 2HD2 LEU 120 2HD2 LEU 120 -15.590 7.948 -0.990 967 3HD2 LEU 120 3HD2 LEU 120 -14.617 8.824 -2.197 968 H ILE 121 H ILE 121 -13.069 5.331 -6.200 969 HA ILE 121 HA ILE 121 -11.707 7.312 -7.718 970 HB ILE 121 HB ILE 121 -11.830 4.316 -8.077 971 1HG1 ILE 121 1HG1 ILE 121 -9.454 5.456 -6.795 972 2HG1 ILE 121 2HG1 ILE 121 -10.912 5.693 -5.853 973 1HG2 ILE 121 1HG2 ILE 121 -10.020 4.454 -9.495 974 2HG2 ILE 121 2HG2 ILE 121 -10.937 5.910 -9.951 975 3HG2 ILE 121 3HG2 ILE 121 -9.520 6.049 -8.884 976 1HD1 ILE 121 1HD1 ILE 121 -10.561 2.975 -7.065 977 2HD1 ILE 121 2HD1 ILE 121 -9.451 3.411 -5.743 978 3HD1 ILE 121 3HD1 ILE 121 -11.210 3.435 -5.473 979 H ASP 122 H ASP 122 -14.444 5.043 -8.282 980 HA ASP 122 HA ASP 122 -14.754 5.160 -10.905 981 1HB ASP 122 1HB ASP 122 -16.301 4.078 -9.221 982 2HB ASP 122 2HB ASP 122 -16.999 5.651 -8.891 983 H LYS 123 H LYS 123 -15.748 7.687 -8.497 984 HA LYS 123 HA LYS 123 -16.748 9.437 -10.528 985 1HB LYS 123 1HB LYS 123 -16.601 9.367 -7.576 986 2HB LYS 123 2HB LYS 123 -16.501 10.969 -8.278 987 1HG LYS 123 1HG LYS 123 -18.584 10.571 -9.565 988 2HG LYS 123 2HG LYS 123 -18.666 8.926 -8.967 989 1HD LYS 123 1HD LYS 123 -18.410 10.900 -6.784 990 2HD LYS 123 2HD LYS 123 -19.833 11.180 -7.769 991 1HE LYS 123 1HE LYS 123 -19.605 8.331 -7.302 992 2HE LYS 123 2HE LYS 123 -19.434 9.152 -5.763 993 1HZ LYS 123 1HZ LYS 123 -21.688 9.169 -7.591 994 2HZ LYS 123 2HZ LYS 123 -21.674 9.008 -5.967 995 3HZ LYS 123 3HZ LYS 123 -21.455 10.478 -6.644 996 H ALA 124 H ALA 124 -13.765 9.131 -8.527 997 HA ALA 124 HA ALA 124 -12.496 11.439 -9.003 998 1HB ALA 124 1HB ALA 124 -10.393 10.095 -8.956 999 2HB ALA 124 2HB ALA 124 -11.555 9.594 -7.705 1000 3HB ALA 124 3HB ALA 124 -11.361 8.619 -9.181 1001 H MET 125 H MET 125 -11.535 8.673 -11.110 1002 HA MET 125 HA MET 125 -10.497 10.078 -13.104 1003 1HB MET 125 1HB MET 125 -11.560 8.077 -14.572 1004 2HB MET 125 2HB MET 125 -10.311 7.752 -13.387 1005 1HG MET 125 1HG MET 125 -11.833 6.860 -11.815 1006 2HG MET 125 2HG MET 125 -13.200 7.726 -12.488 1007 1HE MET 125 1HE MET 125 -11.626 3.653 -13.502 1008 2HE MET 125 2HE MET 125 -10.474 4.931 -13.955 1009 3HE MET 125 3HE MET 125 -11.075 4.827 -12.282 1010 H LYS 126 H LYS 126 -13.978 9.601 -12.465 1011 HA LYS 126 HA LYS 126 -14.905 10.482 -14.960 1012 1HB LYS 126 1HB LYS 126 -15.999 9.757 -12.361 1013 2HB LYS 126 2HB LYS 126 -16.849 11.126 -13.050 1014 1HG LYS 126 1HG LYS 126 -16.618 9.532 -15.278 1015 2HG LYS 126 2HG LYS 126 -16.685 8.306 -14.027 1016 1HD LYS 126 1HD LYS 126 -18.909 8.638 -13.708 1017 2HD LYS 126 2HD LYS 126 -18.681 10.362 -13.491 1018 1HE LYS 126 1HE LYS 126 -18.998 10.841 -15.778 1019 2HE LYS 126 2HE LYS 126 -18.515 9.236 -16.291 1020 1HZ LYS 126 1HZ LYS 126 -20.995 9.852 -14.838 1021 2HZ LYS 126 2HZ LYS 126 -20.889 9.572 -16.444 1022 3HZ LYS 126 3HZ LYS 126 -20.551 8.377 -15.383 1023 H LYS 127 H LYS 127 -14.238 12.195 -11.846 1024 HA LYS 127 HA LYS 127 -15.034 14.710 -12.889 1025 1HB LYS 127 1HB LYS 127 -13.403 13.973 -10.440 1026 2HB LYS 127 2HB LYS 127 -14.007 15.578 -10.795 1027 1HG LYS 127 1HG LYS 127 -16.133 15.052 -10.141 1028 2HG LYS 127 2HG LYS 127 -16.120 13.530 -11.008 1029 1HD LYS 127 1HD LYS 127 -15.341 12.324 -9.183 1030 2HD LYS 127 2HD LYS 127 -14.386 13.659 -8.567 1031 1HE LYS 127 1HE LYS 127 -16.886 14.716 -8.236 1032 2HE LYS 127 2HE LYS 127 -17.277 13.014 -8.096 1033 1HZ LYS 127 1HZ LYS 127 -14.954 13.600 -6.635 1034 2HZ LYS 127 2HZ LYS 127 -16.159 14.603 -6.178 1035 3HZ LYS 127 3HZ LYS 127 -16.371 12.985 -6.105 1036 H SER 128 H SER 128 -13.767 14.308 -14.992 1037 HA SER 128 HA SER 128 -10.955 14.884 -14.631 1038 1HB SER 128 1HB SER 128 -11.936 13.068 -16.228 1039 2HB SER 128 2HB SER 128 -12.366 14.403 -17.279 1040 HG SER 128 HG SER 128 -9.693 14.324 -16.288 1041 H GLY 129 H GLY 129 -10.240 16.351 -16.825 1042 1HA GLY 129 1HA GLY 129 -11.819 18.379 -17.760 1043 2HA GLY 129 2HA GLY 129 -11.265 18.952 -16.201 1044 HA PRO 130 HA PRO 130 -7.900 20.076 -18.910 1045 1HB PRO 130 1HB PRO 130 -7.269 22.426 -17.665 1046 2HB PRO 130 2HB PRO 130 -8.413 22.320 -18.988 1047 1HG PRO 130 1HG PRO 130 -8.946 22.686 -16.104 1048 2HG PRO 130 2HG PRO 130 -10.005 22.997 -17.464 1049 1HD PRO 130 1HD PRO 130 -10.117 20.755 -15.679 1050 2HD PRO 130 2HD PRO 130 -11.101 21.008 -17.107 1051 H SER 131 H SER 131 -6.211 18.751 -18.692 1052 HA SER 131 HA SER 131 -4.632 19.272 -16.334 1053 1HB SER 131 1HB SER 131 -4.421 16.912 -15.742 1054 2HB SER 131 2HB SER 131 -6.115 17.359 -15.730 1055 HG SER 131 HG SER 131 -6.020 15.423 -16.852 1056 H SER 132 H SER 132 -2.400 18.162 -16.555 1057 HA SER 132 HA SER 132 -1.786 17.603 -19.332 1058 1HB SER 132 1HB SER 132 -1.311 20.037 -18.863 1059 2HB SER 132 2HB SER 132 -0.181 19.549 -17.615 1060 HG SER 132 HG SER 132 0.580 19.999 -19.975 1061 H GLY 133 H GLY 133 0.443 16.553 -19.544 1062 1HA GLY 133 1HA GLY 133 2.180 15.749 -17.711 1063 2HA GLY 133 2HA GLY 133 0.823 14.716 -17.311 Start of MODEL 11 1 H GLY 1 H GLY 1 -21.777 -9.120 11.850 2 1HA GLY 1 1HA GLY 1 -23.432 -6.946 12.108 3 2HA GLY 1 2HA GLY 1 -22.789 -7.889 13.437 4 H SER 2 H SER 2 -21.875 -5.227 11.147 5 HA SER 2 HA SER 2 -20.781 -3.821 13.408 6 1HB SER 2 1HB SER 2 -19.116 -5.168 11.455 7 2HB SER 2 2HB SER 2 -18.891 -3.438 11.291 8 HG SER 2 HG SER 2 -18.512 -5.064 13.648 9 H SER 3 H SER 3 -22.509 -2.315 13.108 10 HA SER 3 HA SER 3 -22.892 -1.200 10.510 11 1HB SER 3 1HB SER 3 -24.341 -1.317 13.025 12 2HB SER 3 2HB SER 3 -24.255 0.348 12.486 13 HG SER 3 HG SER 3 -25.340 -0.147 10.601 14 H GLY 4 H GLY 4 -21.338 0.218 9.771 15 1HA GLY 4 1HA GLY 4 -20.353 2.247 11.689 16 2HA GLY 4 2HA GLY 4 -19.369 1.524 10.431 17 H SER 5 H SER 5 -18.961 3.693 9.577 18 HA SER 5 HA SER 5 -20.923 4.371 7.632 19 1HB SER 5 1HB SER 5 -21.530 5.618 9.850 20 2HB SER 5 2HB SER 5 -20.116 6.602 9.527 21 HG SER 5 HG SER 5 -21.965 7.615 8.623 22 H SER 6 H SER 6 -18.237 6.123 9.363 23 HA SER 6 HA SER 6 -17.082 6.834 6.879 24 1HB SER 6 1HB SER 6 -16.270 7.185 9.784 25 2HB SER 6 2HB SER 6 -15.186 7.650 8.489 26 HG SER 6 HG SER 6 -16.302 9.506 8.745 27 H GLY 7 H GLY 7 -15.286 5.922 5.830 28 1HA GLY 7 1HA GLY 7 -13.708 3.894 7.196 29 2HA GLY 7 2HA GLY 7 -14.702 3.324 5.871 30 H MET 8 H MET 8 -14.265 4.006 3.688 31 HA MET 8 HA MET 8 -11.583 4.370 3.152 32 1HB MET 8 1HB MET 8 -14.075 3.995 1.727 33 2HB MET 8 2HB MET 8 -13.240 5.329 0.958 34 1HG MET 8 1HG MET 8 -12.135 2.521 1.435 35 2HG MET 8 2HG MET 8 -12.541 3.237 -0.112 36 1HE MET 8 1HE MET 8 -8.539 2.828 0.849 37 2HE MET 8 2HE MET 8 -9.521 2.642 2.321 38 3HE MET 8 3HE MET 8 -10.009 1.824 0.817 39 H GLU 9 H GLU 9 -14.350 6.714 2.974 40 HA GLU 9 HA GLU 9 -12.904 8.845 2.051 41 1HB GLU 9 1HB GLU 9 -15.532 8.358 2.904 42 2HB GLU 9 2HB GLU 9 -14.976 9.608 4.000 43 1HG GLU 9 1HG GLU 9 -14.273 11.016 2.072 44 2HG GLU 9 2HG GLU 9 -14.758 9.756 0.955 45 H ALA 10 H ALA 10 -12.688 7.216 5.090 46 HA ALA 10 HA ALA 10 -11.521 9.567 6.382 47 1HB ALA 10 1HB ALA 10 -11.708 7.070 7.926 48 2HB ALA 10 2HB ALA 10 -12.314 8.699 8.312 49 3HB ALA 10 3HB ALA 10 -13.276 7.612 7.282 50 H VAL 11 H VAL 11 -10.863 6.047 5.755 51 HA VAL 11 HA VAL 11 -8.226 6.099 6.615 52 HB VAL 11 HB VAL 11 -9.790 4.390 4.696 53 1HG1 VAL 11 1HG1 VAL 11 -7.790 3.888 3.738 54 2HG1 VAL 11 2HG1 VAL 11 -6.849 4.431 5.149 55 3HG1 VAL 11 3HG1 VAL 11 -7.639 2.836 5.166 56 1HG2 VAL 11 1HG2 VAL 11 -9.045 4.321 7.569 57 2HG2 VAL 11 2HG2 VAL 11 -10.496 3.709 6.741 58 3HG2 VAL 11 3HG2 VAL 11 -8.987 2.766 6.705 59 H LEU 12 H LEU 12 -9.719 6.862 3.430 60 HA LEU 12 HA LEU 12 -7.212 7.185 2.134 61 1HB LEU 12 1HB LEU 12 -9.739 6.780 1.303 62 2HB LEU 12 2HB LEU 12 -9.644 8.516 1.086 63 HG LEU 12 HG LEU 12 -7.784 8.306 -0.430 64 1HD1 LEU 12 1HD1 LEU 12 -6.429 6.601 0.387 65 2HD1 LEU 12 2HD1 LEU 12 -7.765 5.427 0.449 66 3HD1 LEU 12 3HD1 LEU 12 -7.084 5.917 -1.120 67 1HD2 LEU 12 1HD2 LEU 12 -10.179 7.898 -1.204 68 2HD2 LEU 12 2HD2 LEU 12 -8.872 7.352 -2.283 69 3HD2 LEU 12 3HD2 LEU 12 -9.745 6.173 -1.275 70 H ASN 13 H ASN 13 -9.273 9.168 4.189 71 HA ASN 13 HA ASN 13 -8.095 11.601 3.309 72 1HB ASN 13 1HB ASN 13 -10.199 10.734 5.217 73 2HB ASN 13 2HB ASN 13 -9.267 12.091 5.816 74 1HD2 ASN 13 1HD2 ASN 13 -10.392 11.035 2.601 75 2HD2 ASN 13 2HD2 ASN 13 -11.177 12.511 2.148 76 H GLU 14 H GLU 14 -8.323 10.076 6.617 77 HA GLU 14 HA GLU 14 -6.427 11.402 7.884 78 1HB GLU 14 1HB GLU 14 -7.860 9.092 8.367 79 2HB GLU 14 2HB GLU 14 -6.221 8.473 8.352 80 1HG GLU 14 1HG GLU 14 -5.857 10.730 9.868 81 2HG GLU 14 2HG GLU 14 -7.521 10.362 10.274 82 H LEU 15 H LEU 15 -4.264 11.807 7.672 83 HA LEU 15 HA LEU 15 -2.814 10.188 5.732 84 1HB LEU 15 1HB LEU 15 -2.062 12.802 7.046 85 2HB LEU 15 2HB LEU 15 -1.197 12.003 5.748 86 HG LEU 15 HG LEU 15 -4.049 12.986 5.491 87 1HD1 LEU 15 1HD1 LEU 15 -3.184 15.047 5.576 88 2HD1 LEU 15 2HD1 LEU 15 -1.512 14.463 5.398 89 3HD1 LEU 15 3HD1 LEU 15 -2.537 14.683 3.959 90 1HD2 LEU 15 1HD2 LEU 15 -3.872 11.526 3.759 91 2HD2 LEU 15 2HD2 LEU 15 -3.137 12.951 2.986 92 3HD2 LEU 15 3HD2 LEU 15 -2.099 11.672 3.662 93 H VAL 16 H VAL 16 -0.387 9.828 6.322 94 HA VAL 16 HA VAL 16 -0.417 8.474 8.881 95 HB VAL 16 HB VAL 16 0.451 7.706 6.490 96 1HG1 VAL 16 1HG1 VAL 16 2.621 8.175 5.945 97 2HG1 VAL 16 2HG1 VAL 16 2.216 9.690 6.788 98 3HG1 VAL 16 3HG1 VAL 16 3.116 8.411 7.638 99 1HG2 VAL 16 1HG2 VAL 16 1.959 6.972 9.018 100 2HG2 VAL 16 2HG2 VAL 16 0.324 6.388 8.627 101 3HG2 VAL 16 3HG2 VAL 16 1.696 5.962 7.575 102 H SER 17 H SER 17 1.187 8.818 10.535 103 HA SER 17 HA SER 17 2.050 11.575 10.546 104 1HB SER 17 1HB SER 17 2.364 9.681 12.882 105 2HB SER 17 2HB SER 17 2.121 11.417 12.902 106 HG SER 17 HG SER 17 -0.076 10.968 12.001 107 H VAL 18 H VAL 18 4.266 12.187 10.930 108 HA VAL 18 HA VAL 18 6.170 10.618 9.687 109 HB VAL 18 HB VAL 18 6.545 12.799 11.750 110 1HG1 VAL 18 1HG1 VAL 18 8.594 13.015 9.921 111 2HG1 VAL 18 2HG1 VAL 18 8.715 12.255 11.526 112 3HG1 VAL 18 3HG1 VAL 18 8.414 11.253 10.086 113 1HG2 VAL 18 1HG2 VAL 18 6.790 14.246 9.665 114 2HG2 VAL 18 2HG2 VAL 18 6.060 12.897 8.763 115 3HG2 VAL 18 3HG2 VAL 18 5.144 13.698 10.062 116 H GLU 19 H GLU 19 5.172 10.837 13.125 117 HA GLU 19 HA GLU 19 7.252 9.548 14.283 118 1HB GLU 19 1HB GLU 19 4.448 10.097 14.914 119 2HB GLU 19 2HB GLU 19 4.944 8.558 15.589 120 1HG GLU 19 1HG GLU 19 7.137 10.152 16.185 121 2HG GLU 19 2HG GLU 19 5.824 11.307 16.305 122 H ASP 20 H ASP 20 4.231 8.034 12.933 123 HA ASP 20 HA ASP 20 5.048 5.440 13.426 124 1HB ASP 20 1HB ASP 20 3.004 6.809 11.719 125 2HB ASP 20 2HB ASP 20 3.418 5.178 11.227 126 H LEU 21 H LEU 21 4.849 7.259 10.261 127 HA LEU 21 HA LEU 21 6.058 5.516 8.616 128 1HB LEU 21 1HB LEU 21 5.079 7.761 8.093 129 2HB LEU 21 2HB LEU 21 6.581 8.489 8.625 130 HG LEU 21 HG LEU 21 6.362 8.259 6.155 131 1HD1 LEU 21 1HD1 LEU 21 8.598 8.045 5.887 132 2HD1 LEU 21 2HD1 LEU 21 8.575 8.086 7.667 133 3HD1 LEU 21 3HD1 LEU 21 8.682 6.527 6.814 134 1HD2 LEU 21 1HD2 LEU 21 6.849 5.304 6.474 135 2HD2 LEU 21 2HD2 LEU 21 5.200 5.966 6.386 136 3HD2 LEU 21 3HD2 LEU 21 6.333 6.216 5.036 137 H LYS 22 H LYS 22 7.593 7.497 11.154 138 HA LYS 22 HA LYS 22 10.240 6.866 10.275 139 1HB LYS 22 1HB LYS 22 9.042 8.273 12.654 140 2HB LYS 22 2HB LYS 22 10.740 7.841 12.641 141 1HG LYS 22 1HG LYS 22 9.597 9.239 10.218 142 2HG LYS 22 2HG LYS 22 9.901 10.188 11.660 143 1HD LYS 22 1HD LYS 22 12.262 8.854 11.555 144 2HD LYS 22 2HD LYS 22 11.859 8.796 9.851 145 1HE LYS 22 1HE LYS 22 12.644 10.915 9.656 146 2HE LYS 22 2HE LYS 22 11.279 11.458 10.611 147 1HZ LYS 22 1HZ LYS 22 12.950 12.139 11.924 148 2HZ LYS 22 2HZ LYS 22 12.847 10.624 12.526 149 3HZ LYS 22 3HZ LYS 22 14.004 10.991 11.434 150 H ASN 23 H ASN 23 8.339 6.000 13.256 151 HA ASN 23 HA ASN 23 10.021 4.180 14.258 152 1HB ASN 23 1HB ASN 23 7.012 4.436 14.223 153 2HB ASN 23 2HB ASN 23 7.675 2.945 14.861 154 1HD2 ASN 23 1HD2 ASN 23 6.217 4.744 16.380 155 2HD2 ASN 23 2HD2 ASN 23 7.222 5.448 17.604 156 H PHE 24 H PHE 24 7.633 3.812 11.582 157 HA PHE 24 HA PHE 24 8.054 1.000 11.333 158 1HB PHE 24 1HB PHE 24 6.700 3.265 9.786 159 2HB PHE 24 2HB PHE 24 6.811 1.675 9.057 160 HD1 PHE 24 1HD PHE 24 4.891 0.431 9.225 161 HD2 PHE 24 2HD PHE 24 5.894 3.034 12.423 162 HE1 PHE 24 1HE PHE 24 2.818 -0.277 10.451 163 HE2 PHE 24 2HE PHE 24 3.820 2.328 13.648 164 HZ PHE 24 HZ PHE 24 2.307 0.681 12.647 165 H GLU 25 H GLU 25 9.530 3.954 10.065 166 HA GLU 25 HA GLU 25 10.632 2.766 7.778 167 1HB GLU 25 1HB GLU 25 10.531 5.101 7.661 168 2HB GLU 25 2HB GLU 25 11.063 5.319 9.316 169 1HG GLU 25 1HG GLU 25 13.362 4.647 8.715 170 2HG GLU 25 2HG GLU 25 12.858 4.264 7.081 171 H ARG 26 H ARG 26 11.820 3.353 11.137 172 HA ARG 26 HA ARG 26 14.408 2.513 10.666 173 1HB ARG 26 1HB ARG 26 12.846 2.206 13.277 174 2HB ARG 26 2HB ARG 26 14.584 2.344 13.114 175 1HG ARG 26 1HG ARG 26 14.213 4.644 12.050 176 2HG ARG 26 2HG ARG 26 12.519 4.496 12.474 177 1HD ARG 26 1HD ARG 26 13.431 5.693 14.308 178 2HD ARG 26 2HD ARG 26 13.346 4.050 14.910 179 HE ARG 26 HE ARG 26 15.879 4.272 13.705 180 1HH1 ARG 26 1HH1 ARG 26 14.152 5.844 16.336 181 2HH1 ARG 26 2HH1 ARG 26 15.589 6.216 17.228 182 1HH2 ARG 26 1HH2 ARG 26 17.776 4.763 14.881 183 2HH2 ARG 26 2HH2 ARG 26 17.664 5.597 16.395 184 H LYS 27 H LYS 27 11.577 0.742 12.127 185 HA LYS 27 HA LYS 27 12.651 -1.660 12.620 186 1HB LYS 27 1HB LYS 27 10.094 -0.612 12.409 187 2HB LYS 27 2HB LYS 27 10.082 -1.904 11.227 188 1HG LYS 27 1HG LYS 27 11.066 -2.256 14.096 189 2HG LYS 27 2HG LYS 27 9.426 -2.607 13.587 190 1HD LYS 27 1HD LYS 27 10.129 -4.392 12.144 191 2HD LYS 27 2HD LYS 27 11.799 -3.863 12.160 192 1HE LYS 27 1HE LYS 27 10.529 -4.610 14.795 193 2HE LYS 27 2HE LYS 27 10.958 -5.904 13.695 194 1HZ LYS 27 1HZ LYS 27 13.045 -5.651 14.290 195 2HZ LYS 27 2HZ LYS 27 13.066 -4.091 13.806 196 3HZ LYS 27 3HZ LYS 27 12.641 -4.466 15.338 197 H PHE 28 H PHE 28 11.589 -0.456 9.379 198 HA PHE 28 HA PHE 28 12.082 -2.769 7.966 199 1HB PHE 28 1HB PHE 28 11.028 -0.444 7.333 200 2HB PHE 28 2HB PHE 28 12.671 0.112 7.080 201 HD1 PHE 28 1HD PHE 28 10.452 -2.710 6.041 202 HD2 PHE 28 2HD PHE 28 13.521 0.006 4.941 203 HE1 PHE 28 1HE PHE 28 10.386 -3.588 3.691 204 HE2 PHE 28 2HE PHE 28 13.456 -0.873 2.590 205 HZ PHE 28 HZ PHE 28 11.890 -2.660 1.994 206 H GLN 29 H GLN 29 14.284 0.113 8.308 207 HA GLN 29 HA GLN 29 16.402 -0.987 7.000 208 1HB GLN 29 1HB GLN 29 16.291 1.019 9.286 209 2HB GLN 29 2HB GLN 29 17.785 0.632 8.454 210 1HG GLN 29 1HG GLN 29 16.528 1.191 6.253 211 2HG GLN 29 2HG GLN 29 15.269 1.871 7.264 212 1HE2 GLN 29 1HE2 GLN 29 15.796 3.588 8.721 213 2HE2 GLN 29 2HE2 GLN 29 17.084 4.692 8.372 214 H SER 30 H SER 30 16.030 -0.790 10.620 215 HA SER 30 HA SER 30 18.136 -2.209 11.371 216 1HB SER 30 1HB SER 30 16.406 -1.201 12.880 217 2HB SER 30 2HB SER 30 15.329 -2.538 12.524 218 HG SER 30 HG SER 30 16.852 -2.563 14.537 219 H GLU 31 H GLU 31 14.874 -3.795 10.990 220 HA GLU 31 HA GLU 31 15.646 -6.342 11.170 221 1HB GLU 31 1HB GLU 31 13.471 -4.940 9.652 222 2HB GLU 31 2HB GLU 31 13.731 -6.632 9.275 223 1HG GLU 31 1HG GLU 31 13.574 -7.161 11.749 224 2HG GLU 31 2HG GLU 31 13.195 -5.477 12.052 225 H GLN 32 H GLN 32 16.208 -4.124 8.456 226 HA GLN 32 HA GLN 32 16.758 -6.040 6.529 227 1HB GLN 32 1HB GLN 32 16.486 -3.370 6.468 228 2HB GLN 32 2HB GLN 32 18.236 -3.416 6.543 229 1HG GLN 32 1HG GLN 32 18.340 -4.842 4.537 230 2HG GLN 32 2HG GLN 32 16.594 -4.985 4.502 231 1HE2 GLN 32 1HE2 GLN 32 18.322 -4.001 2.446 232 2HE2 GLN 32 2HE2 GLN 32 17.884 -2.360 2.100 233 H ALA 33 H ALA 33 19.060 -4.062 8.545 234 HA ALA 33 HA ALA 33 21.295 -5.608 7.756 235 1HB ALA 33 1HB ALA 33 21.900 -4.305 10.168 236 2HB ALA 33 2HB ALA 33 22.178 -3.683 8.523 237 3HB ALA 33 3HB ALA 33 20.679 -3.268 9.390 238 H ALA 34 H ALA 34 18.632 -6.302 9.749 239 HA ALA 34 HA ALA 34 19.994 -7.731 11.797 240 1HB ALA 34 1HB ALA 34 17.561 -6.680 11.642 241 2HB ALA 34 2HB ALA 34 17.149 -8.286 10.993 242 3HB ALA 34 3HB ALA 34 17.864 -8.137 12.617 243 H GLY 35 H GLY 35 18.375 -8.571 8.676 244 1HA GLY 35 1HA GLY 35 20.084 -10.659 8.044 245 2HA GLY 35 2HA GLY 35 18.754 -11.370 8.934 246 H SER 36 H SER 36 16.683 -9.466 8.095 247 HA SER 36 HA SER 36 16.524 -9.008 5.443 248 1HB SER 36 1HB SER 36 14.999 -11.013 4.764 249 2HB SER 36 2HB SER 36 16.736 -11.243 4.745 250 HG SER 36 HG SER 36 14.960 -12.711 6.064 251 H VAL 37 H VAL 37 14.818 -7.589 5.362 252 HA VAL 37 HA VAL 37 13.093 -7.262 7.518 253 HB VAL 37 HB VAL 37 13.027 -6.327 4.650 254 1HG1 VAL 37 1HG1 VAL 37 10.942 -5.585 4.904 255 2HG1 VAL 37 2HG1 VAL 37 10.873 -6.289 6.537 256 3HG1 VAL 37 3HG1 VAL 37 11.458 -4.623 6.310 257 1HG2 VAL 37 1HG2 VAL 37 14.693 -5.045 5.457 258 2HG2 VAL 37 2HG2 VAL 37 13.396 -4.137 6.272 259 3HG2 VAL 37 3HG2 VAL 37 14.281 -5.407 7.151 260 H SER 38 H SER 38 11.032 -7.992 7.997 261 HA SER 38 HA SER 38 10.230 -10.299 6.501 262 1HB SER 38 1HB SER 38 9.275 -9.003 9.077 263 2HB SER 38 2HB SER 38 8.389 -10.326 8.344 264 HG SER 38 HG SER 38 9.781 -11.648 9.272 265 H LYS 39 H LYS 39 7.981 -10.573 5.680 266 HA LYS 39 HA LYS 39 7.176 -8.541 4.034 267 1HB LYS 39 1HB LYS 39 5.734 -10.081 3.298 268 2HB LYS 39 2HB LYS 39 6.472 -11.161 4.463 269 1HG LYS 39 1HG LYS 39 4.096 -9.352 5.105 270 2HG LYS 39 2HG LYS 39 3.933 -11.023 4.601 271 1HD LYS 39 1HD LYS 39 5.879 -10.864 6.757 272 2HD LYS 39 2HD LYS 39 4.416 -10.031 7.242 273 1HE LYS 39 1HE LYS 39 3.570 -12.431 5.930 274 2HE LYS 39 2HE LYS 39 4.884 -12.892 6.994 275 1HZ LYS 39 1HZ LYS 39 3.429 -12.766 8.624 276 2HZ LYS 39 2HZ LYS 39 3.344 -11.147 8.427 277 3HZ LYS 39 3HZ LYS 39 2.273 -12.118 7.668 278 H SER 40 H SER 40 6.439 -9.116 7.466 279 HA SER 40 HA SER 40 4.220 -7.529 7.688 280 1HB SER 40 1HB SER 40 4.973 -7.252 10.103 281 2HB SER 40 2HB SER 40 4.876 -8.908 9.538 282 HG SER 40 HG SER 40 6.973 -7.768 10.667 283 H THR 41 H THR 41 7.395 -6.467 9.068 284 HA THR 41 HA THR 41 6.908 -3.801 9.120 285 HB THR 41 HB THR 41 9.460 -5.409 8.631 286 HG1 THR 41 1HG THR 41 8.183 -5.559 10.666 287 1HG2 THR 41 1HG2 THR 41 10.101 -3.182 7.949 288 2HG2 THR 41 2HG2 THR 41 9.053 -2.431 9.177 289 3HG2 THR 41 3HG2 THR 41 10.535 -3.284 9.672 290 H GLN 42 H GLN 42 7.929 -5.739 6.281 291 HA GLN 42 HA GLN 42 8.491 -3.578 4.654 292 1HB GLN 42 1HB GLN 42 9.053 -6.012 4.227 293 2HB GLN 42 2HB GLN 42 7.375 -6.286 3.802 294 1HG GLN 42 1HG GLN 42 7.508 -4.974 1.841 295 2HG GLN 42 2HG GLN 42 8.875 -4.047 2.427 296 1HE2 GLN 42 1HE2 GLN 42 8.266 -5.793 0.006 297 2HE2 GLN 42 2HE2 GLN 42 9.638 -6.838 -0.156 298 H PHE 43 H PHE 43 5.487 -5.642 4.712 299 HA PHE 43 HA PHE 43 4.031 -4.012 3.006 300 1HB PHE 43 1HB PHE 43 3.231 -6.231 3.478 301 2HB PHE 43 2HB PHE 43 3.498 -6.055 5.201 302 HD1 PHE 43 1HD PHE 43 1.618 -5.910 6.514 303 HD2 PHE 43 2HD PHE 43 1.429 -4.432 2.540 304 HE1 PHE 43 1HE PHE 43 -0.810 -5.358 6.835 305 HE2 PHE 43 2HE PHE 43 -0.999 -3.879 2.862 306 HZ PHE 43 HZ PHE 43 -2.088 -4.349 5.005 307 H GLU 44 H GLU 44 4.480 -3.927 6.573 308 HA GLU 44 HA GLU 44 2.436 -2.143 7.100 309 1HB GLU 44 1HB GLU 44 5.033 -2.828 8.511 310 2HB GLU 44 2HB GLU 44 3.969 -1.593 9.154 311 1HG GLU 44 1HG GLU 44 2.382 -3.918 8.439 312 2HG GLU 44 2HG GLU 44 3.732 -4.437 9.429 313 H TYR 45 H TYR 45 6.004 -1.400 7.055 314 HA TYR 45 HA TYR 45 5.818 1.315 7.080 315 1HB TYR 45 1HB TYR 45 7.919 -0.006 7.226 316 2HB TYR 45 2HB TYR 45 7.657 -0.679 5.629 317 HD1 TYR 45 1HD TYR 45 7.586 2.850 6.918 318 HD2 TYR 45 2HD TYR 45 9.340 0.046 4.205 319 HE1 TYR 45 1HE TYR 45 8.994 4.706 5.899 320 HE2 TYR 45 2HE TYR 45 10.741 1.910 3.195 321 HH TYR 45 HH TYR 45 10.828 4.189 2.997 322 H ALA 46 H ALA 46 5.110 -0.908 4.411 323 HA ALA 46 HA ALA 46 5.331 1.019 2.350 324 1HB ALA 46 1HB ALA 46 5.413 -1.509 2.139 325 2HB ALA 46 2HB ALA 46 3.651 -1.514 2.397 326 3HB ALA 46 3HB ALA 46 4.341 -0.689 0.978 327 H TRP 47 H TRP 47 2.500 -0.418 4.122 328 HA TRP 47 HA TRP 47 0.577 1.177 2.902 329 1HB TRP 47 1HB TRP 47 -0.046 -0.797 4.075 330 2HB TRP 47 2HB TRP 47 0.663 -0.224 5.571 331 HD1 TRP 47 HD TRP 47 -1.211 0.513 7.220 332 HE1 TRP 47 1HE TRP 47 -3.586 1.661 7.146 333 HE3 TRP 47 3HE TRP 47 -1.376 1.048 2.166 334 HZ2 TRP 47 2HZ TRP 47 -5.231 2.641 5.030 335 HZ3 TRP 47 3HZ TRP 47 -3.403 2.109 1.177 336 HH2 TRP 47 HH TRP 47 -5.287 2.893 2.521 337 H CYS 48 H CYS 48 2.878 1.732 5.572 338 HA CYS 48 HA CYS 48 1.640 3.973 6.665 339 1HB CYS 48 1HB CYS 48 4.438 2.876 6.699 340 2HB CYS 48 2HB CYS 48 4.147 4.488 7.324 341 HG CYS 48 HG CYS 48 3.094 1.542 8.275 342 H LEU 49 H LEU 49 4.127 3.529 4.064 343 HA LEU 49 HA LEU 49 4.619 6.207 3.571 344 1HB LEU 49 1HB LEU 49 4.824 3.686 1.967 345 2HB LEU 49 2HB LEU 49 5.100 5.232 1.189 346 HG LEU 49 HG LEU 49 6.598 4.330 3.660 347 1HD1 LEU 49 1HD1 LEU 49 6.788 3.049 1.270 348 2HD1 LEU 49 2HD1 LEU 49 8.017 4.321 1.073 349 3HD1 LEU 49 3HD1 LEU 49 8.114 3.196 2.449 350 1HD2 LEU 49 1HD2 LEU 49 7.751 6.288 1.758 351 2HD2 LEU 49 2HD2 LEU 49 6.355 6.843 2.713 352 3HD2 LEU 49 3HD2 LEU 49 7.809 6.230 3.537 353 H VAL 50 H VAL 50 2.483 4.034 1.581 354 HA VAL 50 HA VAL 50 1.313 5.935 0.060 355 HB VAL 50 HB VAL 50 -0.678 4.381 0.050 356 1HG1 VAL 50 1HG1 VAL 50 0.441 2.730 -1.237 357 2HG1 VAL 50 2HG1 VAL 50 1.394 4.221 -1.424 358 3HG1 VAL 50 3HG1 VAL 50 1.958 2.937 -0.329 359 1HG2 VAL 50 1HG2 VAL 50 -0.802 3.370 2.131 360 2HG2 VAL 50 2HG2 VAL 50 -0.037 2.092 1.157 361 3HG2 VAL 50 3HG2 VAL 50 0.956 3.108 2.231 362 H ARG 51 H ARG 51 0.336 4.918 3.393 363 HA ARG 51 HA ARG 51 -1.905 6.407 3.609 364 1HB ARG 51 1HB ARG 51 0.234 5.625 5.625 365 2HB ARG 51 2HB ARG 51 -1.146 6.575 6.140 366 1HG ARG 51 1HG ARG 51 -1.769 4.162 4.475 367 2HG ARG 51 2HG ARG 51 -1.138 3.843 6.077 368 1HD ARG 51 1HD ARG 51 -3.172 5.958 6.160 369 2HD ARG 51 2HD ARG 51 -3.809 4.510 5.410 370 HE ARG 51 HE ARG 51 -2.435 3.597 7.677 371 1HH1 ARG 51 1HH1 ARG 51 -5.101 5.808 7.052 372 2HH1 ARG 51 2HH1 ARG 51 -5.866 5.518 8.578 373 1HH2 ARG 51 1HH2 ARG 51 -3.444 3.215 9.690 374 2HH2 ARG 51 2HH2 ARG 51 -4.917 4.034 10.090 375 H SER 52 H SER 52 1.517 7.420 3.779 376 HA SER 52 HA SER 52 1.289 9.816 5.019 377 1HB SER 52 1HB SER 52 3.389 8.646 4.146 378 2HB SER 52 2HB SER 52 3.023 9.309 2.565 379 HG SER 52 HG SER 52 3.305 10.947 4.933 380 H LYS 53 H LYS 53 1.900 11.989 3.496 381 HA LYS 53 HA LYS 53 -0.440 12.213 1.740 382 1HB LYS 53 1HB LYS 53 -0.201 14.685 2.231 383 2HB LYS 53 2HB LYS 53 -0.726 13.677 3.564 384 1HG LYS 53 1HG LYS 53 1.158 14.102 4.790 385 2HG LYS 53 2HG LYS 53 2.218 13.894 3.409 386 1HD LYS 53 1HD LYS 53 0.519 16.387 3.889 387 2HD LYS 53 2HD LYS 53 2.198 16.246 4.367 388 1HE LYS 53 1HE LYS 53 2.715 17.029 2.291 389 2HE LYS 53 2HE LYS 53 2.276 15.440 1.696 390 1HZ LYS 53 1HZ LYS 53 -0.016 17.018 2.107 391 2HZ LYS 53 2HZ LYS 53 1.032 17.792 1.123 392 3HZ LYS 53 3HZ LYS 53 0.502 16.296 0.738 393 H TYR 54 H TYR 54 2.786 11.561 1.596 394 HA TYR 54 HA TYR 54 3.437 13.425 -0.525 395 1HB TYR 54 1HB TYR 54 4.732 11.135 1.045 396 2HB TYR 54 2HB TYR 54 5.526 11.737 -0.396 397 HD1 TYR 54 1HD TYR 54 7.204 13.293 -0.056 398 HD2 TYR 54 2HD TYR 54 3.927 13.175 2.691 399 HE1 TYR 54 1HE TYR 54 8.280 15.142 1.319 400 HE2 TYR 54 2HE TYR 54 5.014 15.023 4.056 401 HH TYR 54 HH TYR 54 6.710 16.969 3.421 402 H ASN 55 H ASN 55 3.984 12.789 -2.691 403 HA ASN 55 HA ASN 55 2.344 10.630 -3.573 404 1HB ASN 55 1HB ASN 55 4.094 12.704 -4.968 405 2HB ASN 55 2HB ASN 55 3.353 11.400 -5.874 406 1HD2 ASN 55 1HD2 ASN 55 1.948 12.571 -7.047 407 2HD2 ASN 55 2HD2 ASN 55 0.602 13.452 -6.405 408 H GLU 56 H GLU 56 5.846 11.583 -3.540 409 HA GLU 56 HA GLU 56 6.819 9.431 -4.935 410 1HB GLU 56 1HB GLU 56 7.882 11.529 -3.161 411 2HB GLU 56 2HB GLU 56 8.812 10.047 -3.061 412 1HG GLU 56 1HG GLU 56 8.531 10.180 -5.765 413 2HG GLU 56 2HG GLU 56 8.416 11.890 -5.399 414 H ASP 57 H ASP 57 5.972 9.798 -1.465 415 HA ASP 57 HA ASP 57 7.178 7.487 -0.572 416 1HB ASP 57 1HB ASP 57 4.723 9.037 0.343 417 2HB ASP 57 2HB ASP 57 5.270 7.617 1.211 418 H ILE 58 H ILE 58 3.925 8.189 -1.982 419 HA ILE 58 HA ILE 58 2.716 5.752 -1.498 420 HB ILE 58 HB ILE 58 2.385 7.874 -3.592 421 1HG1 ILE 58 1HG1 ILE 58 0.479 6.960 -1.429 422 2HG1 ILE 58 2HG1 ILE 58 1.712 8.172 -1.149 423 1HG2 ILE 58 1HG2 ILE 58 0.629 5.420 -3.338 424 2HG2 ILE 58 2HG2 ILE 58 0.443 6.774 -4.479 425 3HG2 ILE 58 3HG2 ILE 58 1.836 5.675 -4.621 426 1HD1 ILE 58 1HD1 ILE 58 -0.863 8.475 -2.443 427 2HD1 ILE 58 2HD1 ILE 58 0.318 9.733 -2.007 428 3HD1 ILE 58 3HD1 ILE 58 0.428 8.917 -3.586 429 H ARG 59 H ARG 59 4.602 6.834 -4.408 430 HA ARG 59 HA ARG 59 4.403 4.607 -5.871 431 1HB ARG 59 1HB ARG 59 5.699 6.817 -6.330 432 2HB ARG 59 2HB ARG 59 7.060 6.067 -5.520 433 1HG ARG 59 1HG ARG 59 6.957 4.156 -7.149 434 2HG ARG 59 2HG ARG 59 5.622 4.940 -7.970 435 1HD ARG 59 1HD ARG 59 8.135 6.555 -7.558 436 2HD ARG 59 2HD ARG 59 8.184 5.280 -8.758 437 HE ARG 59 HE ARG 59 5.789 6.728 -9.208 438 1HH1 ARG 59 1HH1 ARG 59 9.259 7.297 -9.333 439 2HH1 ARG 59 2HH1 ARG 59 9.144 8.518 -10.556 440 1HH2 ARG 59 1HH2 ARG 59 5.637 8.338 -10.823 441 2HH2 ARG 59 2HH2 ARG 59 7.070 9.114 -11.410 442 H ARG 60 H ARG 60 6.745 5.257 -3.185 443 HA ARG 60 HA ARG 60 8.237 2.993 -3.440 444 1HB ARG 60 1HB ARG 60 7.622 4.950 -1.280 445 2HB ARG 60 2HB ARG 60 8.158 3.392 -0.686 446 1HG ARG 60 1HG ARG 60 10.291 4.012 -1.135 447 2HG ARG 60 2HG ARG 60 9.901 3.967 -2.844 448 1HD ARG 60 1HD ARG 60 8.900 6.393 -2.392 449 2HD ARG 60 2HD ARG 60 9.925 6.350 -0.971 450 HE ARG 60 HE ARG 60 11.763 6.685 -2.362 451 1HH1 ARG 60 1HH1 ARG 60 9.178 5.239 -4.262 452 2HH1 ARG 60 2HH1 ARG 60 10.056 5.320 -5.753 453 1HH2 ARG 60 1HH2 ARG 60 12.921 6.792 -4.328 454 2HH2 ARG 60 2HH2 ARG 60 12.200 6.209 -5.791 455 H GLY 61 H GLY 61 5.349 3.567 -1.294 456 1HA GLY 61 1HA GLY 61 5.122 1.101 -0.125 457 2HA GLY 61 2HA GLY 61 3.778 2.154 -0.518 458 H ILE 62 H ILE 62 4.026 2.157 -3.405 459 HA ILE 62 HA ILE 62 2.527 -0.086 -4.021 460 HB ILE 62 HB ILE 62 4.131 1.780 -5.771 461 1HG1 ILE 62 1HG1 ILE 62 1.187 1.739 -5.043 462 2HG1 ILE 62 2HG1 ILE 62 2.381 2.847 -4.398 463 1HG2 ILE 62 1HG2 ILE 62 1.884 0.548 -7.092 464 2HG2 ILE 62 2HG2 ILE 62 3.598 0.598 -7.570 465 3HG2 ILE 62 3HG2 ILE 62 3.010 -0.695 -6.498 466 1HD1 ILE 62 1HD1 ILE 62 1.360 2.642 -7.251 467 2HD1 ILE 62 2HD1 ILE 62 1.364 4.058 -6.173 468 3HD1 ILE 62 3HD1 ILE 62 2.890 3.470 -6.874 469 H VAL 63 H VAL 63 6.029 0.594 -4.712 470 HA VAL 63 HA VAL 63 6.652 -1.749 -5.951 471 HB VAL 63 HB VAL 63 8.237 -0.039 -4.032 472 1HG1 VAL 63 1HG1 VAL 63 9.807 -1.628 -4.012 473 2HG1 VAL 63 2HG1 VAL 63 8.917 -2.614 -5.199 474 3HG1 VAL 63 3HG1 VAL 63 10.026 -1.337 -5.755 475 1HG2 VAL 63 1HG2 VAL 63 7.516 1.153 -6.014 476 2HG2 VAL 63 2HG2 VAL 63 9.260 0.819 -6.135 477 3HG2 VAL 63 3HG2 VAL 63 8.100 -0.160 -7.063 478 H LEU 64 H LEU 64 6.669 -1.074 -2.384 479 HA LEU 64 HA LEU 64 7.456 -3.622 -1.618 480 1HB LEU 64 1HB LEU 64 5.593 -1.937 0.016 481 2HB LEU 64 2HB LEU 64 6.896 -2.982 0.545 482 HG LEU 64 HG LEU 64 7.105 -0.246 -0.722 483 1HD1 LEU 64 1HD1 LEU 64 8.663 -0.191 1.487 484 2HD1 LEU 64 2HD1 LEU 64 6.940 0.252 1.470 485 3HD1 LEU 64 3HD1 LEU 64 7.434 -1.375 1.995 486 1HD2 LEU 64 1HD2 LEU 64 8.939 -2.424 -1.031 487 2HD2 LEU 64 2HD2 LEU 64 9.068 -0.748 -1.617 488 3HD2 LEU 64 3HD2 LEU 64 9.685 -1.176 -0.003 489 H LEU 65 H LEU 65 4.091 -2.239 -1.588 490 HA LEU 65 HA LEU 65 2.797 -4.591 -1.039 491 1HB LEU 65 1HB LEU 65 2.074 -2.021 -2.356 492 2HB LEU 65 2HB LEU 65 0.954 -3.360 -2.521 493 HG LEU 65 HG LEU 65 0.365 -3.348 -0.308 494 1HD1 LEU 65 1HD1 LEU 65 3.164 -2.395 0.218 495 2HD1 LEU 65 2HD1 LEU 65 1.899 -2.195 1.454 496 3HD1 LEU 65 3HD1 LEU 65 2.306 -3.820 0.852 497 1HD2 LEU 65 1HD2 LEU 65 1.252 -0.491 -0.793 498 2HD2 LEU 65 2HD2 LEU 65 -0.310 -1.217 -1.239 499 3HD2 LEU 65 3HD2 LEU 65 0.120 -1.020 0.476 500 H GLU 66 H GLU 66 3.866 -3.260 -4.216 501 HA GLU 66 HA GLU 66 2.692 -5.364 -5.662 502 1HB GLU 66 1HB GLU 66 4.677 -3.169 -6.279 503 2HB GLU 66 2HB GLU 66 4.437 -4.453 -7.447 504 1HG GLU 66 1HG GLU 66 1.896 -3.977 -7.227 505 2HG GLU 66 2HG GLU 66 2.347 -2.519 -6.365 506 H GLU 67 H GLU 67 5.513 -5.111 -3.683 507 HA GLU 67 HA GLU 67 6.895 -7.187 -5.124 508 1HB GLU 67 1HB GLU 67 7.568 -5.216 -2.999 509 2HB GLU 67 2HB GLU 67 8.357 -6.771 -2.824 510 1HG GLU 67 1HG GLU 67 8.644 -6.278 -5.551 511 2HG GLU 67 2HG GLU 67 8.772 -4.668 -4.874 512 H LEU 68 H LEU 68 5.206 -6.615 -1.991 513 HA LEU 68 HA LEU 68 5.705 -9.279 -1.082 514 1HB LEU 68 1HB LEU 68 3.798 -7.176 -0.049 515 2HB LEU 68 2HB LEU 68 4.259 -8.650 0.779 516 HG LEU 68 HG LEU 68 6.524 -6.920 -0.010 517 1HD1 LEU 68 1HD1 LEU 68 4.231 -5.770 1.347 518 2HD1 LEU 68 2HD1 LEU 68 5.690 -5.716 2.366 519 3HD1 LEU 68 3HD1 LEU 68 5.713 -4.991 0.739 520 1HD2 LEU 68 1HD2 LEU 68 6.730 -8.984 1.352 521 2HD2 LEU 68 2HD2 LEU 68 7.367 -7.532 2.161 522 3HD2 LEU 68 3HD2 LEU 68 5.784 -8.194 2.636 523 H LEU 69 H LEU 69 3.567 -7.814 -3.340 524 HA LEU 69 HA LEU 69 1.283 -9.391 -2.901 525 1HB LEU 69 1HB LEU 69 2.223 -7.404 -4.758 526 2HB LEU 69 2HB LEU 69 1.463 -8.719 -5.633 527 HG LEU 69 HG LEU 69 0.031 -7.569 -3.266 528 1HD1 LEU 69 1HD1 LEU 69 0.807 -6.033 -5.619 529 2HD1 LEU 69 2HD1 LEU 69 -0.958 -6.112 -5.405 530 3HD1 LEU 69 3HD1 LEU 69 0.071 -5.500 -4.089 531 1HD2 LEU 69 1HD2 LEU 69 -1.693 -8.739 -4.048 532 2HD2 LEU 69 2HD2 LEU 69 -1.493 -8.080 -5.689 533 3HD2 LEU 69 3HD2 LEU 69 -0.551 -9.503 -5.181 534 HA PRO 70 HA PRO 70 3.126 -12.315 -6.088 535 1HB PRO 70 1HB PRO 70 5.531 -11.797 -7.279 536 2HB PRO 70 2HB PRO 70 3.992 -11.352 -7.992 537 1HG PRO 70 1HG PRO 70 5.990 -9.622 -6.664 538 2HG PRO 70 2HG PRO 70 4.682 -9.166 -7.736 539 1HD PRO 70 1HD PRO 70 4.738 -8.885 -4.883 540 2HD PRO 70 2HD PRO 70 3.388 -8.536 -5.943 541 H LYS 71 H LYS 71 4.659 -11.110 -3.460 542 HA LYS 71 HA LYS 71 6.105 -13.649 -3.159 543 1HB LYS 71 1HB LYS 71 7.032 -10.997 -2.032 544 2HB LYS 71 2HB LYS 71 7.890 -12.524 -2.028 545 1HG LYS 71 1HG LYS 71 7.942 -12.483 -4.543 546 2HG LYS 71 2HG LYS 71 7.125 -10.933 -4.522 547 1HD LYS 71 1HD LYS 71 9.002 -9.890 -3.326 548 2HD LYS 71 2HD LYS 71 9.792 -11.441 -3.123 549 1HE LYS 71 1HE LYS 71 9.985 -11.656 -5.621 550 2HE LYS 71 2HE LYS 71 9.227 -10.086 -5.806 551 1HZ LYS 71 1HZ LYS 71 11.872 -10.568 -5.422 552 2HZ LYS 71 2HZ LYS 71 11.137 -9.111 -5.362 553 3HZ LYS 71 3HZ LYS 71 11.376 -9.962 -3.989 554 H GLY 72 H GLY 72 3.300 -12.545 -2.448 555 1HA GLY 72 1HA GLY 72 3.506 -12.953 0.476 556 2HA GLY 72 2HA GLY 72 2.304 -11.950 -0.310 557 H SER 73 H SER 73 1.060 -13.636 1.218 558 HA SER 73 HA SER 73 0.731 -16.184 -0.030 559 1HB SER 73 1HB SER 73 0.514 -15.348 2.549 560 2HB SER 73 2HB SER 73 -1.173 -15.243 2.085 561 HG SER 73 HG SER 73 -0.299 -17.591 1.119 562 H LYS 74 H LYS 74 -2.176 -16.401 0.577 563 HA LYS 74 HA LYS 74 -3.123 -15.028 -1.809 564 1HB LYS 74 1HB LYS 74 -3.861 -17.501 -0.326 565 2HB LYS 74 2HB LYS 74 -5.168 -16.636 -1.109 566 1HG LYS 74 1HG LYS 74 -4.021 -16.728 -3.274 567 2HG LYS 74 2HG LYS 74 -2.576 -17.389 -2.535 568 1HD LYS 74 1HD LYS 74 -4.173 -19.324 -1.710 569 2HD LYS 74 2HD LYS 74 -5.266 -18.734 -2.947 570 1HE LYS 74 1HE LYS 74 -2.578 -18.944 -4.053 571 2HE LYS 74 2HE LYS 74 -3.012 -20.461 -3.291 572 1HZ LYS 74 1HZ LYS 74 -4.812 -19.071 -5.141 573 2HZ LYS 74 2HZ LYS 74 -3.720 -20.178 -5.641 574 3HZ LYS 74 3HZ LYS 74 -4.917 -20.614 -4.618 575 H GLU 75 H GLU 75 -3.855 -15.442 1.703 576 HA GLU 75 HA GLU 75 -5.951 -13.512 1.510 577 1HB GLU 75 1HB GLU 75 -6.316 -13.959 3.863 578 2HB GLU 75 2HB GLU 75 -6.023 -15.491 3.065 579 1HG GLU 75 1HG GLU 75 -3.447 -14.745 3.758 580 2HG GLU 75 2HG GLU 75 -4.366 -14.061 5.083 581 H GLU 76 H GLU 76 -2.758 -13.120 1.184 582 HA GLU 76 HA GLU 76 -2.646 -10.820 2.970 583 1HB GLU 76 1HB GLU 76 -0.503 -12.594 1.765 584 2HB GLU 76 2HB GLU 76 -0.101 -10.989 2.339 585 1HG GLU 76 1HG GLU 76 -1.753 -12.391 4.307 586 2HG GLU 76 2HG GLU 76 -0.346 -13.352 3.895 587 H GLN 77 H GLN 77 -3.032 -11.836 -0.301 588 HA GLN 77 HA GLN 77 -1.801 -9.531 -1.439 589 1HB GLN 77 1HB GLN 77 -3.127 -12.008 -2.411 590 2HB GLN 77 2HB GLN 77 -3.363 -10.612 -3.444 591 1HG GLN 77 1HG GLN 77 -0.770 -10.255 -3.183 592 2HG GLN 77 2HG GLN 77 -0.747 -11.911 -2.612 593 1HE2 GLN 77 1HE2 GLN 77 0.198 -12.950 -4.235 594 2HE2 GLN 77 2HE2 GLN 77 -0.373 -13.027 -5.868 595 H ARG 78 H ARG 78 -5.124 -10.695 -0.677 596 HA ARG 78 HA ARG 78 -6.478 -8.685 -1.972 597 1HB ARG 78 1HB ARG 78 -8.363 -9.591 -0.952 598 2HB ARG 78 2HB ARG 78 -7.242 -10.901 -0.637 599 1HG ARG 78 1HG ARG 78 -7.707 -8.594 1.308 600 2HG ARG 78 2HG ARG 78 -8.587 -10.108 1.387 601 1HD ARG 78 1HD ARG 78 -6.036 -11.087 1.288 602 2HD ARG 78 2HD ARG 78 -5.716 -9.541 2.051 603 HE ARG 78 HE ARG 78 -7.030 -11.810 3.271 604 1HH1 ARG 78 1HH1 ARG 78 -7.038 -8.291 3.226 605 2HH1 ARG 78 2HH1 ARG 78 -7.669 -8.145 4.833 606 1HH2 ARG 78 1HH2 ARG 78 -7.861 -11.618 5.391 607 2HH2 ARG 78 2HH2 ARG 78 -8.141 -10.050 6.072 608 H ASP 79 H ASP 79 -4.487 -8.623 0.884 609 HA ASP 79 HA ASP 79 -5.810 -6.358 2.019 610 1HB ASP 79 1HB ASP 79 -4.667 -8.092 3.419 611 2HB ASP 79 2HB ASP 79 -3.135 -7.679 2.676 612 H TYR 80 H TYR 80 -2.974 -7.194 -0.004 613 HA TYR 80 HA TYR 80 -1.702 -4.666 0.190 614 1HB TYR 80 1HB TYR 80 -1.689 -6.926 -1.908 615 2HB TYR 80 2HB TYR 80 -0.470 -5.671 -1.815 616 HD1 TYR 80 1HD TYR 80 -0.476 -5.733 1.357 617 HD2 TYR 80 2HD TYR 80 -0.043 -8.711 -1.683 618 HE1 TYR 80 1HE TYR 80 0.880 -7.175 2.953 619 HE2 TYR 80 2HE TYR 80 1.312 -10.143 -0.077 620 HH TYR 80 HH TYR 80 2.545 -8.917 2.827 621 H VAL 81 H VAL 81 -3.506 -6.262 -2.542 622 HA VAL 81 HA VAL 81 -3.541 -4.274 -4.325 623 HB VAL 81 HB VAL 81 -5.884 -6.011 -3.522 624 1HG1 VAL 81 1HG1 VAL 81 -6.852 -4.506 -4.989 625 2HG1 VAL 81 2HG1 VAL 81 -5.350 -4.269 -5.912 626 3HG1 VAL 81 3HG1 VAL 81 -6.287 -5.770 -6.108 627 1HG2 VAL 81 1HG2 VAL 81 -4.796 -7.194 -5.719 628 2HG2 VAL 81 2HG2 VAL 81 -3.335 -6.551 -4.930 629 3HG2 VAL 81 3HG2 VAL 81 -4.415 -7.652 -4.041 630 H PHE 82 H PHE 82 -5.839 -4.578 -1.532 631 HA PHE 82 HA PHE 82 -7.429 -2.465 -1.935 632 1HB PHE 82 1HB PHE 82 -7.438 -4.036 0.027 633 2HB PHE 82 2HB PHE 82 -5.937 -3.344 0.609 634 HD1 PHE 82 1HD PHE 82 -9.120 -1.789 -0.584 635 HD2 PHE 82 2HD PHE 82 -6.335 -2.233 2.586 636 HE1 PHE 82 1HE PHE 82 -10.416 -0.132 0.785 637 HE2 PHE 82 2HE PHE 82 -7.629 -0.575 3.956 638 HZ PHE 82 HZ PHE 82 -9.655 0.455 3.040 639 H TYR 83 H TYR 83 -4.079 -2.345 -0.569 640 HA TYR 83 HA TYR 83 -4.183 0.488 -0.219 641 1HB TYR 83 1HB TYR 83 -2.033 -1.713 -0.281 642 2HB TYR 83 2HB TYR 83 -1.626 -0.049 0.083 643 HD1 TYR 83 1HD TYR 83 -0.838 -1.904 2.058 644 HD2 TYR 83 2HD TYR 83 -4.723 -0.208 1.471 645 HE1 TYR 83 1HE TYR 83 -1.391 -2.303 4.507 646 HE2 TYR 83 2HE TYR 83 -5.262 -0.613 3.923 647 HH TYR 83 HH TYR 83 -3.494 -0.848 6.139 648 H LEU 84 H LEU 84 -2.814 -1.796 -2.656 649 HA LEU 84 HA LEU 84 -1.339 0.031 -4.101 650 1HB LEU 84 1HB LEU 84 -2.298 -2.661 -4.373 651 2HB LEU 84 2HB LEU 84 -2.481 -1.825 -5.902 652 HG LEU 84 HG LEU 84 0.098 -2.040 -4.323 653 1HD1 LEU 84 1HD1 LEU 84 0.059 -3.305 -6.942 654 2HD1 LEU 84 2HD1 LEU 84 0.560 -3.952 -5.362 655 3HD1 LEU 84 3HD1 LEU 84 -1.153 -4.005 -5.842 656 1HD2 LEU 84 1HD2 LEU 84 0.380 -1.320 -7.114 657 2HD2 LEU 84 2HD2 LEU 84 -0.636 -0.142 -6.246 658 3HD2 LEU 84 3HD2 LEU 84 1.003 -0.510 -5.655 659 H ALA 85 H ALA 85 -4.836 -0.461 -3.877 660 HA ALA 85 HA ALA 85 -5.350 1.121 -6.232 661 1HB ALA 85 1HB ALA 85 -7.656 0.634 -5.769 662 2HB ALA 85 2HB ALA 85 -6.739 -0.853 -5.433 663 3HB ALA 85 3HB ALA 85 -7.288 0.177 -4.089 664 H VAL 86 H VAL 86 -4.766 1.583 -2.814 665 HA VAL 86 HA VAL 86 -6.167 4.090 -2.690 666 HB VAL 86 HB VAL 86 -4.479 2.428 -0.858 667 1HG1 VAL 86 1HG1 VAL 86 -4.833 4.282 0.873 668 2HG1 VAL 86 2HG1 VAL 86 -3.567 4.546 -0.349 669 3HG1 VAL 86 3HG1 VAL 86 -5.142 5.359 -0.510 670 1HG2 VAL 86 1HG2 VAL 86 -7.201 3.686 -0.418 671 2HG2 VAL 86 2HG2 VAL 86 -6.970 2.091 -1.172 672 3HG2 VAL 86 3HG2 VAL 86 -6.437 2.370 0.504 673 H GLY 87 H GLY 87 -2.742 2.934 -2.865 674 1HA GLY 87 1HA GLY 87 -1.584 5.513 -2.823 675 2HA GLY 87 2HA GLY 87 -0.835 4.022 -3.359 676 H ASN 88 H ASN 88 -2.396 3.211 -5.519 677 HA ASN 88 HA ASN 88 -1.378 4.707 -7.548 678 1HB ASN 88 1HB ASN 88 -3.561 2.650 -7.285 679 2HB ASN 88 2HB ASN 88 -3.545 3.570 -8.778 680 1HD2 ASN 88 1HD2 ASN 88 -1.504 1.673 -6.590 681 2HD2 ASN 88 2HD2 ASN 88 -0.438 1.014 -7.785 682 H TYR 89 H TYR 89 -4.753 4.636 -6.180 683 HA TYR 89 HA TYR 89 -5.989 6.427 -7.807 684 1HB TYR 89 1HB TYR 89 -7.277 5.368 -6.088 685 2HB TYR 89 2HB TYR 89 -6.037 5.627 -4.877 686 HD1 TYR 89 1HD TYR 89 -6.149 7.473 -3.394 687 HD2 TYR 89 2HD TYR 89 -8.691 7.366 -6.833 688 HE1 TYR 89 1HE TYR 89 -7.443 9.473 -2.508 689 HE2 TYR 89 2HE TYR 89 -9.977 9.366 -5.935 690 HH TYR 89 HH TYR 89 -8.903 11.040 -3.023 691 H ARG 90 H ARG 90 -4.043 7.175 -4.835 692 HA ARG 90 HA ARG 90 -4.469 9.850 -4.811 693 1HB ARG 90 1HB ARG 90 -2.885 8.060 -3.400 694 2HB ARG 90 2HB ARG 90 -1.666 9.035 -4.196 695 1HG ARG 90 1HG ARG 90 -3.965 10.464 -2.865 696 2HG ARG 90 2HG ARG 90 -2.735 9.759 -1.835 697 1HD ARG 90 1HD ARG 90 -1.160 11.319 -2.434 698 2HD ARG 90 2HD ARG 90 -1.605 11.266 -4.128 699 HE ARG 90 HE ARG 90 -3.734 12.541 -2.738 700 1HH1 ARG 90 1HH1 ARG 90 -0.352 13.129 -3.511 701 2HH1 ARG 90 2HH1 ARG 90 -0.515 14.853 -3.492 702 1HH2 ARG 90 1HH2 ARG 90 -3.950 14.816 -2.712 703 2HH2 ARG 90 2HH2 ARG 90 -2.576 15.819 -3.034 704 H LEU 91 H LEU 91 -2.411 7.891 -6.941 705 HA LEU 91 HA LEU 91 -1.049 10.233 -7.970 706 1HB LEU 91 1HB LEU 91 -0.853 7.340 -8.816 707 2HB LEU 91 2HB LEU 91 0.208 8.648 -9.300 708 HG LEU 91 HG LEU 91 -0.097 7.889 -6.397 709 1HD1 LEU 91 1HD1 LEU 91 1.628 6.287 -6.527 710 2HD1 LEU 91 2HD1 LEU 91 0.496 5.881 -7.839 711 3HD1 LEU 91 3HD1 LEU 91 2.020 6.722 -8.208 712 1HD2 LEU 91 1HD2 LEU 91 1.196 9.698 -6.210 713 2HD2 LEU 91 2HD2 LEU 91 2.501 8.683 -6.868 714 3HD2 LEU 91 3HD2 LEU 91 1.558 9.732 -7.952 715 H LYS 92 H LYS 92 -4.110 9.426 -8.186 716 HA LYS 92 HA LYS 92 -5.710 9.837 -9.653 717 1HB LYS 92 1HB LYS 92 -3.510 10.962 -11.411 718 2HB LYS 92 2HB LYS 92 -5.228 11.153 -11.691 719 1HG LYS 92 1HG LYS 92 -4.951 11.946 -9.021 720 2HG LYS 92 2HG LYS 92 -3.476 12.543 -9.755 721 1HD LYS 92 1HD LYS 92 -5.769 13.062 -11.501 722 2HD LYS 92 2HD LYS 92 -6.059 13.715 -9.900 723 1HE LYS 92 1HE LYS 92 -4.768 15.489 -10.491 724 2HE LYS 92 2HE LYS 92 -3.383 14.417 -10.414 725 1HZ LYS 92 1HZ LYS 92 -4.613 13.949 -12.828 726 2HZ LYS 92 2HZ LYS 92 -4.557 15.573 -12.666 727 3HZ LYS 92 3HZ LYS 92 -3.183 14.696 -12.572 728 H GLU 93 H GLU 93 -3.618 7.431 -9.723 729 HA GLU 93 HA GLU 93 -4.088 6.480 -12.379 730 1HB GLU 93 1HB GLU 93 -2.563 5.513 -9.966 731 2HB GLU 93 2HB GLU 93 -2.982 4.343 -11.201 732 1HG GLU 93 1HG GLU 93 -1.929 6.820 -12.387 733 2HG GLU 93 2HG GLU 93 -0.794 6.129 -11.244 734 H TYR 94 H TYR 94 -6.533 6.683 -12.042 735 HA TYR 94 HA TYR 94 -7.865 5.014 -10.227 736 1HB TYR 94 1HB TYR 94 -8.713 5.931 -13.040 737 2HB TYR 94 2HB TYR 94 -9.784 5.632 -11.685 738 HD1 TYR 94 1HD TYR 94 -9.592 8.173 -13.409 739 HD2 TYR 94 2HD TYR 94 -7.844 7.098 -9.654 740 HE1 TYR 94 1HE TYR 94 -9.462 10.628 -12.759 741 HE2 TYR 94 2HE TYR 94 -7.720 9.556 -9.018 742 HH TYR 94 HH TYR 94 -7.566 11.759 -10.371 743 H GLU 95 H GLU 95 -6.594 4.497 -13.539 744 HA GLU 95 HA GLU 95 -7.993 2.247 -14.178 745 1HB GLU 95 1HB GLU 95 -5.154 3.112 -14.848 746 2HB GLU 95 2HB GLU 95 -5.874 1.677 -15.551 747 1HG GLU 95 1HG GLU 95 -7.636 2.958 -16.610 748 2HG GLU 95 2HG GLU 95 -7.249 4.393 -15.681 749 H LYS 96 H LYS 96 -4.508 2.065 -13.182 750 HA LYS 96 HA LYS 96 -4.516 -0.573 -12.505 751 1HB LYS 96 1HB LYS 96 -2.890 1.719 -11.373 752 2HB LYS 96 2HB LYS 96 -2.544 0.033 -11.052 753 1HG LYS 96 1HG LYS 96 -2.834 1.046 -13.905 754 2HG LYS 96 2HG LYS 96 -1.313 1.200 -13.048 755 1HD LYS 96 1HD LYS 96 -1.253 -1.256 -12.665 756 2HD LYS 96 2HD LYS 96 -2.810 -1.434 -13.450 757 1HE LYS 96 1HE LYS 96 -1.926 -0.796 -15.597 758 2HE LYS 96 2HE LYS 96 -0.456 -0.153 -14.894 759 1HZ LYS 96 1HZ LYS 96 0.033 -2.259 -15.760 760 2HZ LYS 96 2HZ LYS 96 0.006 -2.457 -14.140 761 3HZ LYS 96 3HZ LYS 96 -1.252 -2.972 -15.045 762 H ALA 97 H ALA 97 -5.568 2.252 -10.559 763 HA ALA 97 HA ALA 97 -5.775 1.021 -8.103 764 1HB ALA 97 1HB ALA 97 -7.840 2.758 -8.032 765 2HB ALA 97 2HB ALA 97 -6.140 3.282 -7.965 766 3HB ALA 97 3HB ALA 97 -7.030 3.342 -9.505 767 H LEU 98 H LEU 98 -8.671 1.720 -10.170 768 HA LEU 98 HA LEU 98 -10.367 -0.013 -8.965 769 1HB LEU 98 1HB LEU 98 -10.172 1.317 -11.571 770 2HB LEU 98 2HB LEU 98 -11.142 -0.141 -11.596 771 HG LEU 98 HG LEU 98 -12.504 1.854 -11.221 772 1HD1 LEU 98 1HD1 LEU 98 -12.415 -0.450 -9.436 773 2HD1 LEU 98 2HD1 LEU 98 -13.194 0.965 -8.689 774 3HD1 LEU 98 3HD1 LEU 98 -13.799 0.333 -10.237 775 1HD2 LEU 98 1HD2 LEU 98 -12.047 2.607 -8.584 776 2HD2 LEU 98 2HD2 LEU 98 -10.418 2.474 -9.290 777 3HD2 LEU 98 3HD2 LEU 98 -11.633 3.532 -10.048 778 H LYS 99 H LYS 99 -8.377 -0.757 -11.918 779 HA LYS 99 HA LYS 99 -9.015 -3.319 -12.313 780 1HB LYS 99 1HB LYS 99 -7.414 -2.062 -13.667 781 2HB LYS 99 2HB LYS 99 -6.232 -2.117 -12.376 782 1HG LYS 99 1HG LYS 99 -6.488 -4.713 -12.496 783 2HG LYS 99 2HG LYS 99 -7.304 -4.440 -14.023 784 1HD LYS 99 1HD LYS 99 -4.918 -2.842 -14.061 785 2HD LYS 99 2HD LYS 99 -4.457 -4.424 -13.464 786 1HE LYS 99 1HE LYS 99 -6.193 -5.030 -15.585 787 2HE LYS 99 2HE LYS 99 -5.328 -3.625 -16.173 788 1HZ LYS 99 1HZ LYS 99 -3.267 -4.763 -15.571 789 2HZ LYS 99 2HZ LYS 99 -4.113 -6.091 -15.138 790 3HZ LYS 99 3HZ LYS 99 -4.122 -5.587 -16.693 791 H TYR 100 H TYR 100 -7.094 -2.011 -9.600 792 HA TYR 100 HA TYR 100 -6.480 -4.671 -8.645 793 1HB TYR 100 1HB TYR 100 -5.764 -1.812 -8.237 794 2HB TYR 100 2HB TYR 100 -5.964 -2.635 -6.704 795 HD1 TYR 100 1HD TYR 100 -3.403 -1.441 -8.088 796 HD2 TYR 100 2HD TYR 100 -4.979 -5.399 -7.701 797 HE1 TYR 100 1HE TYR 100 -1.058 -2.403 -8.294 798 HE2 TYR 100 2HE TYR 100 -2.630 -6.347 -7.908 799 HH TYR 100 HH TYR 100 -0.409 -5.724 -7.630 800 H VAL 101 H VAL 101 -8.618 -1.887 -7.817 801 HA VAL 101 HA VAL 101 -9.538 -2.963 -5.396 802 HB VAL 101 HB VAL 101 -9.889 -0.650 -6.977 803 1HG1 VAL 101 1HG1 VAL 101 -12.325 -0.260 -6.769 804 2HG1 VAL 101 2HG1 VAL 101 -11.946 -1.595 -7.882 805 3HG1 VAL 101 3HG1 VAL 101 -12.536 -1.947 -6.240 806 1HG2 VAL 101 1HG2 VAL 101 -9.494 -0.134 -4.805 807 2HG2 VAL 101 2HG2 VAL 101 -11.272 -0.096 -4.715 808 3HG2 VAL 101 3HG2 VAL 101 -10.385 -1.547 -4.191 809 H ARG 102 H ARG 102 -10.790 -3.116 -8.790 810 HA ARG 102 HA ARG 102 -13.076 -4.511 -8.152 811 1HB ARG 102 1HB ARG 102 -11.436 -4.677 -10.732 812 2HB ARG 102 2HB ARG 102 -13.130 -5.103 -10.572 813 1HG ARG 102 1HG ARG 102 -12.018 -2.318 -9.988 814 2HG ARG 102 2HG ARG 102 -12.719 -2.784 -11.525 815 1HD ARG 102 1HD ARG 102 -14.353 -3.329 -9.054 816 2HD ARG 102 2HD ARG 102 -14.188 -1.656 -9.549 817 HE ARG 102 HE ARG 102 -15.384 -2.125 -11.557 818 1HH1 ARG 102 1HH1 ARG 102 -14.837 -5.046 -9.674 819 2HH1 ARG 102 2HH1 ARG 102 -15.984 -5.989 -10.566 820 1HH2 ARG 102 1HH2 ARG 102 -16.897 -3.368 -12.734 821 2HH2 ARG 102 2HH2 ARG 102 -17.163 -5.029 -12.319 822 H GLY 103 H GLY 103 -9.698 -5.531 -8.682 823 1HA GLY 103 1HA GLY 103 -10.320 -8.339 -8.882 824 2HA GLY 103 2HA GLY 103 -8.738 -7.592 -8.785 825 H LEU 104 H LEU 104 -10.310 -6.081 -6.321 826 HA LEU 104 HA LEU 104 -9.390 -8.093 -4.404 827 1HB LEU 104 1HB LEU 104 -8.246 -5.982 -4.274 828 2HB LEU 104 2HB LEU 104 -9.762 -5.105 -4.189 829 HG LEU 104 HG LEU 104 -8.341 -5.542 -2.034 830 1HD1 LEU 104 1HD1 LEU 104 -11.294 -5.519 -2.426 831 2HD1 LEU 104 2HD1 LEU 104 -10.673 -5.876 -0.796 832 3HD1 LEU 104 3HD1 LEU 104 -10.230 -4.353 -1.603 833 1HD2 LEU 104 1HD2 LEU 104 -8.786 -7.535 -0.828 834 2HD2 LEU 104 2HD2 LEU 104 -10.004 -8.067 -2.013 835 3HD2 LEU 104 3HD2 LEU 104 -8.281 -8.031 -2.462 836 H LEU 105 H LEU 105 -12.073 -5.733 -5.032 837 HA LEU 105 HA LEU 105 -13.735 -6.360 -3.000 838 1HB LEU 105 1HB LEU 105 -14.124 -5.502 -5.823 839 2HB LEU 105 2HB LEU 105 -15.540 -6.029 -4.936 840 HG LEU 105 HG LEU 105 -15.098 -3.553 -4.926 841 1HD1 LEU 105 1HD1 LEU 105 -16.610 -4.506 -3.318 842 2HD1 LEU 105 2HD1 LEU 105 -15.259 -4.999 -2.270 843 3HD1 LEU 105 3HD1 LEU 105 -15.614 -3.271 -2.510 844 1HD2 LEU 105 1HD2 LEU 105 -12.717 -4.420 -3.280 845 2HD2 LEU 105 2HD2 LEU 105 -12.748 -3.400 -4.740 846 3HD2 LEU 105 3HD2 LEU 105 -13.404 -2.779 -3.206 847 H GLN 106 H GLN 106 -12.924 -8.341 -5.845 848 HA GLN 106 HA GLN 106 -14.972 -10.088 -5.876 849 1HB GLN 106 1HB GLN 106 -12.200 -10.045 -6.746 850 2HB GLN 106 2HB GLN 106 -12.605 -11.655 -6.186 851 1HG GLN 106 1HG GLN 106 -14.805 -10.582 -7.775 852 2HG GLN 106 2HG GLN 106 -13.308 -10.457 -8.677 853 1HE2 GLN 106 1HE2 GLN 106 -15.561 -12.586 -7.080 854 2HE2 GLN 106 2HE2 GLN 106 -15.030 -14.081 -7.774 855 H THR 107 H THR 107 -11.883 -10.627 -4.016 856 HA THR 107 HA THR 107 -13.184 -12.658 -2.432 857 HB THR 107 HB THR 107 -10.831 -12.887 -3.228 858 HG1 THR 107 1HG THR 107 -10.819 -13.918 -1.269 859 1HG2 THR 107 1HG2 THR 107 -9.553 -11.169 -1.294 860 2HG2 THR 107 2HG2 THR 107 -9.358 -11.152 -3.062 861 3HG2 THR 107 3HG2 THR 107 -10.620 -10.157 -2.297 862 H GLU 108 H GLU 108 -13.345 -9.336 -2.415 863 HA GLU 108 HA GLU 108 -14.002 -9.425 0.403 864 1HB GLU 108 1HB GLU 108 -12.357 -7.165 -0.814 865 2HB GLU 108 2HB GLU 108 -12.846 -7.313 0.863 866 1HG GLU 108 1HG GLU 108 -11.174 -9.466 -0.493 867 2HG GLU 108 2HG GLU 108 -10.428 -8.055 0.229 868 HA PRO 109 HA PRO 109 -17.054 -7.325 -2.285 869 1HB PRO 109 1HB PRO 109 -19.149 -9.050 -1.968 870 2HB PRO 109 2HB PRO 109 -18.047 -9.122 -3.329 871 1HG PRO 109 1HG PRO 109 -18.194 -10.895 -0.968 872 2HG PRO 109 2HG PRO 109 -17.413 -11.183 -2.510 873 1HD PRO 109 1HD PRO 109 -16.132 -10.476 -0.042 874 2HD PRO 109 2HD PRO 109 -15.366 -10.651 -1.608 875 H GLN 110 H GLN 110 -17.674 -8.977 0.761 876 HA GLN 110 HA GLN 110 -19.647 -7.134 1.507 877 1HB GLN 110 1HB GLN 110 -19.727 -8.315 3.557 878 2HB GLN 110 2HB GLN 110 -19.232 -9.528 2.393 879 1HG GLN 110 1HG GLN 110 -16.773 -8.770 3.060 880 2HG GLN 110 2HG GLN 110 -17.555 -8.125 4.489 881 1HE2 GLN 110 1HE2 GLN 110 -16.431 -10.892 2.845 882 2HE2 GLN 110 2HE2 GLN 110 -16.888 -12.109 3.991 883 H ASN 111 H ASN 111 -16.157 -7.069 1.489 884 HA ASN 111 HA ASN 111 -15.674 -5.443 3.649 885 1HB ASN 111 1HB ASN 111 -13.855 -6.524 2.392 886 2HB ASN 111 2HB ASN 111 -14.277 -5.649 0.934 887 1HD2 ASN 111 1HD2 ASN 111 -11.751 -5.533 1.764 888 2HD2 ASN 111 2HD2 ASN 111 -11.341 -3.983 2.422 889 H ASN 112 H ASN 112 -16.571 -3.407 4.009 890 HA ASN 112 HA ASN 112 -17.819 -1.982 1.972 891 1HB ASN 112 1HB ASN 112 -16.812 -0.844 4.628 892 2HB ASN 112 2HB ASN 112 -18.161 -0.253 3.678 893 1HD2 ASN 112 1HD2 ASN 112 -18.466 -0.850 6.313 894 2HD2 ASN 112 2HD2 ASN 112 -19.466 -2.248 6.529 895 H GLN 113 H GLN 113 -14.759 -1.437 3.880 896 HA GLN 113 HA GLN 113 -13.890 0.856 2.893 897 1HB GLN 113 1HB GLN 113 -12.361 -1.698 3.484 898 2HB GLN 113 2HB GLN 113 -11.519 -0.234 3.018 899 1HG GLN 113 1HG GLN 113 -13.332 0.647 4.982 900 2HG GLN 113 2HG GLN 113 -12.806 -0.913 5.581 901 1HE2 GLN 113 1HE2 GLN 113 -11.236 -0.715 6.970 902 2HE2 GLN 113 2HE2 GLN 113 -9.876 0.353 6.880 903 H ALA 114 H ALA 114 -13.619 -2.347 1.234 904 HA ALA 114 HA ALA 114 -12.244 -1.300 -1.007 905 1HB ALA 114 1HB ALA 114 -12.041 -3.494 -1.478 906 2HB ALA 114 2HB ALA 114 -12.912 -3.811 0.042 907 3HB ALA 114 3HB ALA 114 -13.806 -3.722 -1.495 908 H LYS 115 H LYS 115 -15.697 -1.980 -0.214 909 HA LYS 115 HA LYS 115 -16.751 -1.513 -2.725 910 1HB LYS 115 1HB LYS 115 -17.800 -1.351 0.082 911 2HB LYS 115 2HB LYS 115 -18.794 -0.756 -1.231 912 1HG LYS 115 1HG LYS 115 -18.362 -3.005 -2.417 913 2HG LYS 115 2HG LYS 115 -17.652 -3.566 -0.916 914 1HD LYS 115 1HD LYS 115 -19.717 -4.052 -0.127 915 2HD LYS 115 2HD LYS 115 -20.142 -2.354 -0.208 916 1HE LYS 115 1HE LYS 115 -20.704 -2.694 -2.678 917 2HE LYS 115 2HE LYS 115 -20.451 -4.412 -2.444 918 1HZ LYS 115 1HZ LYS 115 -22.242 -3.036 -0.622 919 2HZ LYS 115 2HZ LYS 115 -22.776 -3.357 -2.131 920 3HZ LYS 115 3HZ LYS 115 -22.294 -4.578 -1.160 921 H GLU 116 H GLU 116 -16.273 0.817 0.022 922 HA GLU 116 HA GLU 116 -17.196 3.009 -1.362 923 1HB GLU 116 1HB GLU 116 -15.364 2.611 1.006 924 2HB GLU 116 2HB GLU 116 -15.551 4.223 0.344 925 1HG GLU 116 1HG GLU 116 -18.147 2.868 0.633 926 2HG GLU 116 2HG GLU 116 -17.289 2.943 2.159 927 H LEU 117 H LEU 117 -13.825 1.731 -0.967 928 HA LEU 117 HA LEU 117 -12.433 3.678 -2.246 929 1HB LEU 117 1HB LEU 117 -11.794 1.364 -1.146 930 2HB LEU 117 2HB LEU 117 -11.785 0.818 -2.812 931 HG LEU 117 HG LEU 117 -10.018 2.875 -1.497 932 1HD1 LEU 117 1HD1 LEU 117 -8.339 1.370 -2.879 933 2HD1 LEU 117 2HD1 LEU 117 -8.948 0.868 -1.283 934 3HD1 LEU 117 3HD1 LEU 117 -9.669 0.192 -2.764 935 1HD2 LEU 117 1HD2 LEU 117 -10.118 2.424 -4.484 936 2HD2 LEU 117 2HD2 LEU 117 -10.956 3.766 -3.669 937 3HD2 LEU 117 3HD2 LEU 117 -9.183 3.638 -3.577 938 H GLU 118 H GLU 118 -13.964 0.778 -3.817 939 HA GLU 118 HA GLU 118 -13.311 1.406 -6.371 940 1HB GLU 118 1HB GLU 118 -14.321 -0.723 -5.810 941 2HB GLU 118 2HB GLU 118 -15.790 0.046 -5.244 942 1HG GLU 118 1HG GLU 118 -15.132 0.812 -8.017 943 2HG GLU 118 2HG GLU 118 -15.320 -0.921 -7.839 944 H ARG 119 H ARG 119 -15.521 3.047 -4.220 945 HA ARG 119 HA ARG 119 -16.836 4.331 -6.445 946 1HB ARG 119 1HB ARG 119 -17.340 4.089 -3.484 947 2HB ARG 119 2HB ARG 119 -17.939 5.537 -4.269 948 1HG ARG 119 1HG ARG 119 -18.810 3.699 -6.075 949 2HG ARG 119 2HG ARG 119 -18.781 2.678 -4.650 950 1HD ARG 119 1HD ARG 119 -20.151 4.455 -3.434 951 2HD ARG 119 2HD ARG 119 -20.283 5.323 -4.950 952 HE ARG 119 HE ARG 119 -21.113 2.722 -5.559 953 1HH1 ARG 119 1HH1 ARG 119 -22.116 5.214 -3.287 954 2HH1 ARG 119 2HH1 ARG 119 -23.772 4.703 -3.261 955 1HH2 ARG 119 1HH2 ARG 119 -23.296 2.048 -5.526 956 2HH2 ARG 119 2HH2 ARG 119 -24.447 2.890 -4.542 957 H LEU 120 H LEU 120 -14.497 4.894 -3.805 958 HA LEU 120 HA LEU 120 -14.454 7.632 -3.713 959 1HB LEU 120 1HB LEU 120 -12.279 5.575 -3.385 960 2HB LEU 120 2HB LEU 120 -12.005 7.284 -3.110 961 HG LEU 120 HG LEU 120 -13.118 5.313 -1.347 962 1HD1 LEU 120 1HD1 LEU 120 -11.535 6.679 -0.402 963 2HD1 LEU 120 2HD1 LEU 120 -12.165 8.146 -1.189 964 3HD1 LEU 120 3HD1 LEU 120 -13.030 7.437 0.196 965 1HD2 LEU 120 1HD2 LEU 120 -15.304 5.999 -2.233 966 2HD2 LEU 120 2HD2 LEU 120 -15.096 6.470 -0.529 967 3HD2 LEU 120 3HD2 LEU 120 -14.939 7.690 -1.816 968 H ILE 121 H ILE 121 -12.595 5.437 -5.924 969 HA ILE 121 HA ILE 121 -11.470 7.610 -7.351 970 HB ILE 121 HB ILE 121 -11.722 4.672 -7.996 971 1HG1 ILE 121 1HG1 ILE 121 -9.057 5.491 -7.411 972 2HG1 ILE 121 2HG1 ILE 121 -10.085 6.121 -6.138 973 1HG2 ILE 121 1HG2 ILE 121 -9.821 5.146 -9.579 974 2HG2 ILE 121 2HG2 ILE 121 -11.407 5.786 -10.070 975 3HG2 ILE 121 3HG2 ILE 121 -10.183 6.877 -9.379 976 1HD1 ILE 121 1HD1 ILE 121 -9.219 3.769 -5.725 977 2HD1 ILE 121 2HD1 ILE 121 -10.992 3.916 -5.659 978 3HD1 ILE 121 3HD1 ILE 121 -10.208 3.228 -7.102 979 H ASP 122 H ASP 122 -14.306 5.434 -7.827 980 HA ASP 122 HA ASP 122 -15.045 5.965 -10.297 981 1HB ASP 122 1HB ASP 122 -16.302 4.711 -8.408 982 2HB ASP 122 2HB ASP 122 -17.013 6.256 -7.988 983 H LYS 123 H LYS 123 -15.158 8.189 -7.487 984 HA LYS 123 HA LYS 123 -16.639 10.196 -8.913 985 1HB LYS 123 1HB LYS 123 -15.514 9.864 -6.163 986 2HB LYS 123 2HB LYS 123 -15.815 11.493 -6.736 987 1HG LYS 123 1HG LYS 123 -18.127 10.121 -7.524 988 2HG LYS 123 2HG LYS 123 -17.745 9.384 -5.980 989 1HD LYS 123 1HD LYS 123 -18.435 11.225 -4.846 990 2HD LYS 123 2HD LYS 123 -17.385 12.266 -5.785 991 1HE LYS 123 1HE LYS 123 -19.044 12.689 -7.428 992 2HE LYS 123 2HE LYS 123 -19.951 11.243 -7.032 993 1HZ LYS 123 1HZ LYS 123 -19.642 13.432 -5.113 994 2HZ LYS 123 2HZ LYS 123 -20.854 13.410 -6.207 995 3HZ LYS 123 3HZ LYS 123 -20.738 12.222 -5.091 996 H ALA 124 H ALA 124 -13.240 9.679 -7.782 997 HA ALA 124 HA ALA 124 -12.135 12.038 -8.556 998 1HB ALA 124 1HB ALA 124 -10.809 10.453 -7.390 999 2HB ALA 124 2HB ALA 124 -11.111 9.184 -8.601 1000 3HB ALA 124 3HB ALA 124 -10.065 10.567 -9.003 1001 H MET 125 H MET 125 -12.346 9.046 -10.622 1002 HA MET 125 HA MET 125 -11.340 9.950 -12.889 1003 1HB MET 125 1HB MET 125 -13.977 8.403 -12.594 1004 2HB MET 125 2HB MET 125 -12.995 8.421 -14.045 1005 1HG MET 125 1HG MET 125 -11.301 7.732 -11.788 1006 2HG MET 125 2HG MET 125 -12.723 6.706 -11.758 1007 1HE MET 125 1HE MET 125 -12.369 4.186 -13.540 1008 2HE MET 125 2HE MET 125 -10.627 4.203 -13.177 1009 3HE MET 125 3HE MET 125 -11.792 4.812 -11.977 1010 H LYS 126 H LYS 126 -14.701 10.623 -11.728 1011 HA LYS 126 HA LYS 126 -15.378 12.123 -14.042 1012 1HB LYS 126 1HB LYS 126 -17.416 11.806 -13.216 1013 2HB LYS 126 2HB LYS 126 -16.714 11.012 -11.822 1014 1HG LYS 126 1HG LYS 126 -16.684 13.021 -10.532 1015 2HG LYS 126 2HG LYS 126 -16.841 14.044 -11.946 1016 1HD LYS 126 1HD LYS 126 -19.150 12.654 -12.217 1017 2HD LYS 126 2HD LYS 126 -18.957 12.480 -10.484 1018 1HE LYS 126 1HE LYS 126 -18.673 15.003 -10.321 1019 2HE LYS 126 2HE LYS 126 -19.030 15.113 -12.034 1020 1HZ LYS 126 1HZ LYS 126 -20.799 14.243 -9.880 1021 2HZ LYS 126 2HZ LYS 126 -21.050 15.403 -11.002 1022 3HZ LYS 126 3HZ LYS 126 -21.112 13.828 -11.428 1023 H LYS 127 H LYS 127 -14.162 12.884 -10.739 1024 HA LYS 127 HA LYS 127 -14.422 15.633 -10.878 1025 1HB LYS 127 1HB LYS 127 -12.534 13.803 -9.395 1026 2HB LYS 127 2HB LYS 127 -12.435 15.545 -9.229 1027 1HG LYS 127 1HG LYS 127 -14.458 15.702 -8.103 1028 2HG LYS 127 2HG LYS 127 -15.178 14.365 -8.977 1029 1HD LYS 127 1HD LYS 127 -14.333 12.763 -7.520 1030 2HD LYS 127 2HD LYS 127 -12.879 13.680 -7.176 1031 1HE LYS 127 1HE LYS 127 -15.016 15.271 -6.175 1032 2HE LYS 127 2HE LYS 127 -15.410 13.628 -5.710 1033 1HZ LYS 127 1HZ LYS 127 -13.404 15.300 -4.692 1034 2HZ LYS 127 2HZ LYS 127 -13.923 13.860 -4.123 1035 3HZ LYS 127 3HZ LYS 127 -12.733 13.916 -5.239 1036 H SER 128 H SER 128 -11.249 13.911 -11.244 1037 HA SER 128 HA SER 128 -9.443 14.532 -12.310 1038 1HB SER 128 1HB SER 128 -9.742 14.802 -14.804 1039 2HB SER 128 2HB SER 128 -10.541 13.394 -14.134 1040 HG SER 128 HG SER 128 -11.675 15.214 -15.642 1041 H GLY 129 H GLY 129 -8.909 16.465 -11.113 1042 1HA GLY 129 1HA GLY 129 -10.003 19.008 -11.821 1043 2HA GLY 129 2HA GLY 129 -8.659 18.682 -10.746 1044 HA PRO 130 HA PRO 130 -7.221 20.128 -14.954 1045 1HB PRO 130 1HB PRO 130 -7.215 22.852 -14.732 1046 2HB PRO 130 2HB PRO 130 -8.491 21.959 -15.536 1047 1HG PRO 130 1HG PRO 130 -8.524 23.252 -12.878 1048 2HG PRO 130 2HG PRO 130 -9.878 22.739 -13.866 1049 1HD PRO 130 1HD PRO 130 -8.836 21.401 -11.551 1050 2HD PRO 130 2HD PRO 130 -10.113 20.828 -12.606 1051 H SER 131 H SER 131 -5.076 20.311 -15.436 1052 HA SER 131 HA SER 131 -3.493 21.528 -13.351 1053 1HB SER 131 1HB SER 131 -1.889 19.539 -13.444 1054 2HB SER 131 2HB SER 131 -3.402 19.260 -12.605 1055 HG SER 131 HG SER 131 -2.451 18.168 -15.031 1056 H SER 132 H SER 132 -3.116 19.477 -16.344 1057 HA SER 132 HA SER 132 -1.916 21.750 -17.643 1058 1HB SER 132 1HB SER 132 -0.322 19.666 -16.500 1059 2HB SER 132 2HB SER 132 -0.280 19.427 -18.236 1060 HG SER 132 HG SER 132 0.309 21.736 -18.430 1061 H GLY 133 H GLY 133 -2.400 18.149 -17.957 1062 1HA GLY 133 1HA GLY 133 -3.498 16.935 -19.502 1063 2HA GLY 133 2HA GLY 133 -4.358 18.385 -19.981 Start of MODEL 12 1 H GLY 1 H GLY 1 -13.416 1.004 19.814 2 1HA GLY 1 1HA GLY 1 -15.341 0.112 21.731 3 2HA GLY 1 2HA GLY 1 -15.535 1.813 21.357 4 H SER 2 H SER 2 -17.631 1.259 20.377 5 HA SER 2 HA SER 2 -17.225 0.256 17.675 6 1HB SER 2 1HB SER 2 -18.941 -0.848 19.778 7 2HB SER 2 2HB SER 2 -19.887 -0.395 18.373 8 HG SER 2 HG SER 2 -18.578 -2.632 18.629 9 H SER 3 H SER 3 -17.439 2.144 16.494 10 HA SER 3 HA SER 3 -19.984 3.420 16.599 11 1HB SER 3 1HB SER 3 -17.909 4.529 18.165 12 2HB SER 3 2HB SER 3 -17.947 5.523 16.723 13 HG SER 3 HG SER 3 -19.501 6.500 17.896 14 H GLY 4 H GLY 4 -20.116 5.151 14.790 15 1HA GLY 4 1HA GLY 4 -18.586 4.158 12.497 16 2HA GLY 4 2HA GLY 4 -20.060 5.106 12.464 17 H SER 5 H SER 5 -16.533 5.181 12.723 18 HA SER 5 HA SER 5 -16.704 8.073 12.410 19 1HB SER 5 1HB SER 5 -15.546 6.704 14.591 20 2HB SER 5 2HB SER 5 -14.179 7.180 13.603 21 HG SER 5 HG SER 5 -15.401 8.720 15.323 22 H SER 6 H SER 6 -14.319 5.321 12.217 23 HA SER 6 HA SER 6 -13.231 6.556 9.852 24 1HB SER 6 1HB SER 6 -11.832 5.577 11.790 25 2HB SER 6 2HB SER 6 -12.292 3.994 11.199 26 HG SER 6 HG SER 6 -10.264 4.629 10.295 27 H GLY 7 H GLY 7 -12.922 5.287 7.834 28 1HA GLY 7 1HA GLY 7 -14.157 2.754 7.477 29 2HA GLY 7 2HA GLY 7 -15.219 4.036 6.930 30 H MET 8 H MET 8 -14.689 5.290 5.076 31 HA MET 8 HA MET 8 -12.304 4.337 3.687 32 1HB MET 8 1HB MET 8 -14.339 3.470 2.594 33 2HB MET 8 2HB MET 8 -15.091 5.053 2.626 34 1HG MET 8 1HG MET 8 -14.297 5.189 0.471 35 2HG MET 8 2HG MET 8 -12.808 5.678 1.255 36 1HE MET 8 1HE MET 8 -10.328 3.612 0.501 37 2HE MET 8 2HE MET 8 -11.070 4.519 1.841 38 3HE MET 8 3HE MET 8 -10.922 2.748 1.940 39 H GLU 9 H GLU 9 -14.607 7.051 4.257 40 HA GLU 9 HA GLU 9 -13.027 8.874 2.778 41 1HB GLU 9 1HB GLU 9 -15.635 8.817 3.867 42 2HB GLU 9 2HB GLU 9 -14.827 10.112 4.729 43 1HG GLU 9 1HG GLU 9 -14.211 11.220 2.639 44 2HG GLU 9 2HG GLU 9 -14.758 9.852 1.689 45 H ALA 10 H ALA 10 -12.851 7.482 5.938 46 HA ALA 10 HA ALA 10 -11.426 9.756 7.054 47 1HB ALA 10 1HB ALA 10 -12.122 8.909 9.022 48 2HB ALA 10 2HB ALA 10 -13.093 7.750 8.083 49 3HB ALA 10 3HB ALA 10 -11.463 7.300 8.638 50 H VAL 11 H VAL 11 -10.895 6.285 6.157 51 HA VAL 11 HA VAL 11 -8.206 6.208 6.861 52 HB VAL 11 HB VAL 11 -9.587 4.252 6.453 53 1HG1 VAL 11 1HG1 VAL 11 -10.776 5.371 4.447 54 2HG1 VAL 11 2HG1 VAL 11 -9.419 4.746 3.480 55 3HG1 VAL 11 3HG1 VAL 11 -10.466 3.620 4.375 56 1HG2 VAL 11 1HG2 VAL 11 -7.486 4.052 4.324 57 2HG2 VAL 11 2HG2 VAL 11 -6.986 4.407 5.995 58 3HG2 VAL 11 3HG2 VAL 11 -7.896 2.921 5.635 59 H LEU 12 H LEU 12 -9.766 6.832 3.639 60 HA LEU 12 HA LEU 12 -7.329 7.386 2.358 61 1HB LEU 12 1HB LEU 12 -10.227 7.790 1.752 62 2HB LEU 12 2HB LEU 12 -9.033 8.600 0.758 63 HG LEU 12 HG LEU 12 -9.342 5.617 1.174 64 1HD1 LEU 12 1HD1 LEU 12 -9.502 7.156 -1.418 65 2HD1 LEU 12 2HD1 LEU 12 -10.037 5.495 -1.069 66 3HD1 LEU 12 3HD1 LEU 12 -10.922 6.877 -0.380 67 1HD2 LEU 12 1HD2 LEU 12 -7.049 5.757 1.022 68 2HD2 LEU 12 2HD2 LEU 12 -7.508 5.611 -0.692 69 3HD2 LEU 12 3HD2 LEU 12 -7.092 7.204 -0.014 70 H ASN 13 H ASN 13 -9.044 9.083 4.773 71 HA ASN 13 HA ASN 13 -8.251 11.666 3.811 72 1HB ASN 13 1HB ASN 13 -10.067 10.578 5.862 73 2HB ASN 13 2HB ASN 13 -9.096 11.883 6.514 74 1HD2 ASN 13 1HD2 ASN 13 -10.270 11.329 3.210 75 2HD2 ASN 13 2HD2 ASN 13 -11.218 12.771 3.063 76 H GLU 14 H GLU 14 -8.004 10.228 7.140 77 HA GLU 14 HA GLU 14 -5.916 11.601 8.030 78 1HB GLU 14 1HB GLU 14 -7.353 9.407 8.904 79 2HB GLU 14 2HB GLU 14 -5.749 8.722 8.742 80 1HG GLU 14 1HG GLU 14 -5.116 11.081 9.982 81 2HG GLU 14 2HG GLU 14 -6.730 10.839 10.619 82 H LEU 15 H LEU 15 -3.636 11.553 7.946 83 HA LEU 15 HA LEU 15 -2.552 9.741 5.901 84 1HB LEU 15 1HB LEU 15 -0.850 11.522 5.527 85 2HB LEU 15 2HB LEU 15 -2.480 11.912 5.016 86 HG LEU 15 HG LEU 15 -2.675 13.101 7.328 87 1HD1 LEU 15 1HD1 LEU 15 0.312 12.761 7.055 88 2HD1 LEU 15 2HD1 LEU 15 -0.421 14.081 7.997 89 3HD1 LEU 15 3HD1 LEU 15 -0.732 12.388 8.447 90 1HD2 LEU 15 1HD2 LEU 15 -2.867 14.555 5.589 91 2HD2 LEU 15 2HD2 LEU 15 -1.298 15.095 6.231 92 3HD2 LEU 15 3HD2 LEU 15 -1.357 14.015 4.817 93 H VAL 16 H VAL 16 -0.123 9.313 6.244 94 HA VAL 16 HA VAL 16 0.159 8.356 8.927 95 HB VAL 16 HB VAL 16 1.081 7.671 6.374 96 1HG1 VAL 16 1HG1 VAL 16 2.977 9.311 6.934 97 2HG1 VAL 16 2HG1 VAL 16 3.496 8.110 8.140 98 3HG1 VAL 16 3HG1 VAL 16 3.437 7.671 6.416 99 1HG2 VAL 16 1HG2 VAL 16 1.356 5.647 7.345 100 2HG2 VAL 16 2HG2 VAL 16 2.344 6.299 8.673 101 3HG2 VAL 16 3HG2 VAL 16 0.570 6.425 8.740 102 H SER 17 H SER 17 1.847 8.931 10.421 103 HA SER 17 HA SER 17 2.776 11.651 9.944 104 1HB SER 17 1HB SER 17 2.682 10.328 12.669 105 2HB SER 17 2HB SER 17 2.678 12.039 12.288 106 HG SER 17 HG SER 17 0.516 11.464 11.154 107 H VAL 18 H VAL 18 5.000 12.178 10.394 108 HA VAL 18 HA VAL 18 6.865 10.307 9.697 109 HB VAL 18 HB VAL 18 7.187 12.760 11.437 110 1HG1 VAL 18 1HG1 VAL 18 9.181 11.450 11.628 111 2HG1 VAL 18 2HG1 VAL 18 9.210 11.123 9.879 112 3HG1 VAL 18 3HG1 VAL 18 9.522 12.769 10.481 113 1HG2 VAL 18 1HG2 VAL 18 7.889 13.780 9.199 114 2HG2 VAL 18 2HG2 VAL 18 7.140 12.357 8.438 115 3HG2 VAL 18 3HG2 VAL 18 6.153 13.460 9.429 116 H GLU 19 H GLU 19 5.705 11.239 12.986 117 HA GLU 19 HA GLU 19 7.458 9.973 14.538 118 1HB GLU 19 1HB GLU 19 5.025 11.132 14.937 119 2HB GLU 19 2HB GLU 19 4.591 9.459 15.228 120 1HG GLU 19 1HG GLU 19 6.822 9.482 16.716 121 2HG GLU 19 2HG GLU 19 6.531 11.210 16.743 122 H ASP 20 H ASP 20 4.499 8.395 13.119 123 HA ASP 20 HA ASP 20 5.248 5.861 14.020 124 1HB ASP 20 1HB ASP 20 3.177 7.057 12.257 125 2HB ASP 20 2HB ASP 20 3.599 5.413 11.822 126 H LEU 21 H LEU 21 5.294 7.494 10.761 127 HA LEU 21 HA LEU 21 6.287 5.538 9.201 128 1HB LEU 21 1HB LEU 21 5.667 7.991 8.715 129 2HB LEU 21 2HB LEU 21 7.350 8.345 9.046 130 HG LEU 21 HG LEU 21 6.970 8.134 6.660 131 1HD1 LEU 21 1HD1 LEU 21 8.760 6.658 6.103 132 2HD1 LEU 21 2HD1 LEU 21 9.133 7.386 7.684 133 3HD1 LEU 21 3HD1 LEU 21 8.529 5.714 7.596 134 1HD2 LEU 21 1HD2 LEU 21 6.136 6.205 5.578 135 2HD2 LEU 21 2HD2 LEU 21 6.206 5.239 7.071 136 3HD2 LEU 21 3HD2 LEU 21 5.011 6.549 6.913 137 H LYS 22 H LYS 22 8.166 7.653 11.449 138 HA LYS 22 HA LYS 22 10.673 6.658 10.760 139 1HB LYS 22 1HB LYS 22 9.534 8.055 13.170 140 2HB LYS 22 2HB LYS 22 11.180 7.456 13.200 141 1HG LYS 22 1HG LYS 22 10.376 9.002 10.757 142 2HG LYS 22 2HG LYS 22 10.509 9.918 12.244 143 1HD LYS 22 1HD LYS 22 12.784 8.116 12.022 144 2HD LYS 22 2HD LYS 22 12.629 9.034 10.538 145 1HE LYS 22 1HE LYS 22 13.298 10.971 11.543 146 2HE LYS 22 2HE LYS 22 12.209 10.741 12.896 147 1HZ LYS 22 1HZ LYS 22 14.966 10.117 12.698 148 2HZ LYS 22 2HZ LYS 22 14.037 10.300 14.029 149 3HZ LYS 22 3HZ LYS 22 14.099 8.856 13.270 150 H ASN 23 H ASN 23 8.236 5.569 13.190 151 HA ASN 23 HA ASN 23 9.700 3.729 14.495 152 1HB ASN 23 1HB ASN 23 6.937 4.344 14.165 153 2HB ASN 23 2HB ASN 23 7.057 2.631 13.816 154 1HD2 ASN 23 1HD2 ASN 23 5.773 2.411 15.748 155 2HD2 ASN 23 2HD2 ASN 23 6.529 2.367 17.306 156 H PHE 24 H PHE 24 7.772 3.298 11.434 157 HA PHE 24 HA PHE 24 8.628 0.616 11.072 158 1HB PHE 24 1HB PHE 24 7.403 2.767 9.243 159 2HB PHE 24 2HB PHE 24 7.539 1.082 8.782 160 HD1 PHE 24 1HD PHE 24 6.165 -0.628 9.911 161 HD2 PHE 24 2HD PHE 24 5.704 3.501 10.775 162 HE1 PHE 24 1HE PHE 24 3.943 -1.099 10.978 163 HE2 PHE 24 2HE PHE 24 3.482 3.029 11.843 164 HZ PHE 24 HZ PHE 24 2.628 0.735 11.932 165 H GLU 25 H GLU 25 9.406 3.757 9.413 166 HA GLU 25 HA GLU 25 11.072 2.934 7.530 167 1HB GLU 25 1HB GLU 25 10.430 5.338 8.335 168 2HB GLU 25 2HB GLU 25 11.884 5.253 9.311 169 1HG GLU 25 1HG GLU 25 13.180 4.665 7.193 170 2HG GLU 25 2HG GLU 25 11.717 4.963 6.275 171 H ARG 26 H ARG 26 11.641 2.785 11.021 172 HA ARG 26 HA ARG 26 14.428 2.325 10.700 173 1HB ARG 26 1HB ARG 26 14.089 3.241 12.803 174 2HB ARG 26 2HB ARG 26 12.483 2.558 12.959 175 1HG ARG 26 1HG ARG 26 13.353 0.392 13.590 176 2HG ARG 26 2HG ARG 26 14.979 0.819 13.095 177 1HD ARG 26 1HD ARG 26 14.267 2.812 14.982 178 2HD ARG 26 2HD ARG 26 13.632 1.324 15.654 179 HE ARG 26 HE ARG 26 15.827 0.511 15.929 180 1HH1 ARG 26 1HH1 ARG 26 15.861 3.414 13.941 181 2HH1 ARG 26 2HH1 ARG 26 17.583 3.585 13.994 182 1HH2 ARG 26 1HH2 ARG 26 18.099 0.736 15.999 183 2HH2 ARG 26 2HH2 ARG 26 18.865 2.051 15.172 184 H LYS 27 H LYS 27 11.543 0.382 11.783 185 HA LYS 27 HA LYS 27 12.747 -2.020 12.185 186 1HB LYS 27 1HB LYS 27 10.066 -1.029 11.691 187 2HB LYS 27 2HB LYS 27 10.287 -2.600 10.947 188 1HG LYS 27 1HG LYS 27 9.579 -3.069 13.183 189 2HG LYS 27 2HG LYS 27 11.303 -3.389 13.177 190 1HD LYS 27 1HD LYS 27 11.678 -1.791 14.745 191 2HD LYS 27 2HD LYS 27 10.853 -0.579 13.786 192 1HE LYS 27 1HE LYS 27 9.121 -0.617 15.248 193 2HE LYS 27 2HE LYS 27 8.806 -2.287 14.819 194 1HZ LYS 27 1HZ LYS 27 10.843 -2.604 16.441 195 2HZ LYS 27 2HZ LYS 27 10.237 -1.230 17.084 196 3HZ LYS 27 3HZ LYS 27 9.298 -2.563 16.972 197 H PHE 28 H PHE 28 11.420 -0.768 9.044 198 HA PHE 28 HA PHE 28 12.149 -2.951 7.522 199 1HB PHE 28 1HB PHE 28 10.673 -0.971 6.900 200 2HB PHE 28 2HB PHE 28 12.091 0.058 6.871 201 HD1 PHE 28 1HD PHE 28 13.506 0.141 4.965 202 HD2 PHE 28 2HD PHE 28 10.436 -2.780 5.184 203 HE1 PHE 28 1HE PHE 28 13.852 -0.405 2.540 204 HE2 PHE 28 2HE PHE 28 10.782 -3.326 2.759 205 HZ PHE 28 HZ PHE 28 12.485 -2.132 1.466 206 H GLN 29 H GLN 29 13.876 0.253 7.583 207 HA GLN 29 HA GLN 29 16.035 -0.431 6.188 208 1HB GLN 29 1HB GLN 29 15.670 1.406 8.559 209 2HB GLN 29 2HB GLN 29 17.273 1.199 7.883 210 1HG GLN 29 1HG GLN 29 14.782 2.185 6.426 211 2HG GLN 29 2HG GLN 29 16.227 3.109 6.787 212 1HE2 GLN 29 1HE2 GLN 29 14.631 1.710 4.382 213 2HE2 GLN 29 2HE2 GLN 29 15.906 1.238 3.310 214 H SER 30 H SER 30 16.189 -0.402 9.823 215 HA SER 30 HA SER 30 18.476 -1.686 10.161 216 1HB SER 30 1HB SER 30 16.458 -0.930 11.815 217 2HB SER 30 2HB SER 30 16.237 -2.666 11.900 218 HG SER 30 HG SER 30 18.811 -2.472 12.194 219 H GLU 31 H GLU 31 15.300 -3.478 10.241 220 HA GLU 31 HA GLU 31 16.238 -5.973 10.243 221 1HB GLU 31 1HB GLU 31 13.831 -4.839 8.763 222 2HB GLU 31 2HB GLU 31 14.114 -6.561 8.914 223 1HG GLU 31 1HG GLU 31 14.280 -4.973 11.452 224 2HG GLU 31 2HG GLU 31 12.688 -5.111 10.734 225 H GLN 32 H GLN 32 16.298 -3.674 7.543 226 HA GLN 32 HA GLN 32 16.691 -5.539 5.514 227 1HB GLN 32 1HB GLN 32 16.206 -2.892 5.545 228 2HB GLN 32 2HB GLN 32 17.946 -2.809 5.345 229 1HG GLN 32 1HG GLN 32 17.833 -4.225 3.329 230 2HG GLN 32 2HG GLN 32 16.115 -4.481 3.562 231 1HE2 GLN 32 1HE2 GLN 32 15.148 -3.496 1.947 232 2HE2 GLN 32 2HE2 GLN 32 15.356 -1.845 1.463 233 H ALA 33 H ALA 33 19.105 -3.349 7.149 234 HA ALA 33 HA ALA 33 21.311 -4.728 6.050 235 1HB ALA 33 1HB ALA 33 22.119 -2.719 6.671 236 2HB ALA 33 2HB ALA 33 20.759 -2.437 7.784 237 3HB ALA 33 3HB ALA 33 22.180 -3.359 8.331 238 H ALA 34 H ALA 34 19.049 -5.570 8.463 239 HA ALA 34 HA ALA 34 20.830 -6.895 10.244 240 1HB ALA 34 1HB ALA 34 18.004 -7.782 10.074 241 2HB ALA 34 2HB ALA 34 18.941 -7.210 11.474 242 3HB ALA 34 3HB ALA 34 18.232 -6.036 10.339 243 H GLY 35 H GLY 35 19.106 -7.691 7.231 244 1HA GLY 35 1HA GLY 35 20.677 -9.710 6.383 245 2HA GLY 35 2HA GLY 35 19.589 -10.530 7.485 246 H SER 36 H SER 36 17.354 -8.541 6.943 247 HA SER 36 HA SER 36 16.675 -8.203 4.403 248 1HB SER 36 1HB SER 36 16.512 -11.099 5.100 249 2HB SER 36 2HB SER 36 15.101 -10.451 4.289 250 HG SER 36 HG SER 36 16.831 -9.481 2.747 251 H VAL 37 H VAL 37 14.718 -7.096 4.440 252 HA VAL 37 HA VAL 37 13.411 -6.820 6.931 253 HB VAL 37 HB VAL 37 12.874 -5.852 4.127 254 1HG1 VAL 37 1HG1 VAL 37 11.386 -4.325 6.023 255 2HG1 VAL 37 2HG1 VAL 37 10.784 -5.290 4.654 256 3HG1 VAL 37 3HG1 VAL 37 10.974 -6.041 6.257 257 1HG2 VAL 37 1HG2 VAL 37 14.517 -4.449 4.761 258 2HG2 VAL 37 2HG2 VAL 37 13.256 -3.665 5.742 259 3HG2 VAL 37 3HG2 VAL 37 14.342 -4.865 6.482 260 H SER 38 H SER 38 11.557 -7.760 7.731 261 HA SER 38 HA SER 38 10.715 -10.115 6.384 262 1HB SER 38 1HB SER 38 9.587 -8.816 8.904 263 2HB SER 38 2HB SER 38 9.298 -10.462 8.378 264 HG SER 38 HG SER 38 11.193 -11.078 9.182 265 H LYS 39 H LYS 39 8.456 -10.584 5.757 266 HA LYS 39 HA LYS 39 7.327 -8.711 4.137 267 1HB LYS 39 1HB LYS 39 5.999 -11.023 5.579 268 2HB LYS 39 2HB LYS 39 5.284 -10.140 4.244 269 1HG LYS 39 1HG LYS 39 7.532 -10.699 2.980 270 2HG LYS 39 2HG LYS 39 7.749 -11.912 4.225 271 1HD LYS 39 1HD LYS 39 5.109 -11.752 2.744 272 2HD LYS 39 2HD LYS 39 6.481 -12.530 1.979 273 1HE LYS 39 1HE LYS 39 5.937 -13.336 4.816 274 2HE LYS 39 2HE LYS 39 4.739 -13.834 3.637 275 1HZ LYS 39 1HZ LYS 39 6.675 -14.675 2.314 276 2HZ LYS 39 2HZ LYS 39 7.601 -14.458 3.642 277 3HZ LYS 39 3HZ LYS 39 6.343 -15.498 3.685 278 H SER 40 H SER 40 6.361 -9.508 7.545 279 HA SER 40 HA SER 40 4.306 -7.830 7.828 280 1HB SER 40 1HB SER 40 6.531 -8.213 9.880 281 2HB SER 40 2HB SER 40 4.890 -7.710 10.233 282 HG SER 40 HG SER 40 4.677 -9.848 10.551 283 H THR 41 H THR 41 7.782 -6.960 8.500 284 HA THR 41 HA THR 41 7.282 -4.241 8.942 285 HB THR 41 HB THR 41 9.748 -5.832 8.072 286 HG1 THR 41 1HG THR 41 8.661 -4.631 10.522 287 1HG2 THR 41 1HG2 THR 41 9.448 -2.946 9.047 288 2HG2 THR 41 2HG2 THR 41 10.979 -3.850 9.123 289 3HG2 THR 41 3HG2 THR 41 10.234 -3.492 7.547 290 H GLN 42 H GLN 42 7.728 -6.123 5.956 291 HA GLN 42 HA GLN 42 8.243 -3.917 4.332 292 1HB GLN 42 1HB GLN 42 8.590 -6.420 3.828 293 2HB GLN 42 2HB GLN 42 6.877 -6.495 3.464 294 1HG GLN 42 1HG GLN 42 7.086 -5.251 1.515 295 2HG GLN 42 2HG GLN 42 8.395 -4.272 2.145 296 1HE2 GLN 42 1HE2 GLN 42 8.270 -5.502 -0.406 297 2HE2 GLN 42 2HE2 GLN 42 9.571 -6.638 -0.548 298 H PHE 43 H PHE 43 5.196 -5.894 4.644 299 HA PHE 43 HA PHE 43 3.593 -4.190 3.195 300 1HB PHE 43 1HB PHE 43 2.726 -6.344 3.765 301 2HB PHE 43 2HB PHE 43 3.299 -6.239 5.418 302 HD1 PHE 43 1HD PHE 43 1.956 -5.211 7.134 303 HD2 PHE 43 2HD PHE 43 0.623 -5.257 3.105 304 HE1 PHE 43 1HE PHE 43 -0.345 -4.547 7.888 305 HE2 PHE 43 2HE PHE 43 -1.678 -4.594 3.860 306 HZ PHE 43 HZ PHE 43 -2.133 -4.246 6.241 307 H GLU 44 H GLU 44 4.550 -4.098 6.654 308 HA GLU 44 HA GLU 44 2.660 -2.255 7.465 309 1HB GLU 44 1HB GLU 44 5.376 -3.111 8.462 310 2HB GLU 44 2HB GLU 44 4.624 -1.707 9.193 311 1HG GLU 44 1HG GLU 44 2.589 -3.048 9.714 312 2HG GLU 44 2HG GLU 44 3.301 -4.451 8.939 313 H TYR 45 H TYR 45 6.190 -1.468 7.178 314 HA TYR 45 HA TYR 45 5.990 1.216 7.060 315 1HB TYR 45 1HB TYR 45 8.079 -0.202 7.066 316 2HB TYR 45 2HB TYR 45 7.728 -0.747 5.438 317 HD1 TYR 45 1HD TYR 45 9.085 0.176 3.810 318 HD2 TYR 45 2HD TYR 45 8.004 2.577 7.181 319 HE1 TYR 45 1HE TYR 45 10.446 2.109 2.877 320 HE2 TYR 45 2HE TYR 45 9.369 4.503 6.237 321 HH TYR 45 HH TYR 45 10.192 5.269 4.147 322 H ALA 46 H ALA 46 5.525 -1.096 4.331 323 HA ALA 46 HA ALA 46 5.399 0.821 2.310 324 1HB ALA 46 1HB ALA 46 5.662 -1.683 2.083 325 2HB ALA 46 2HB ALA 46 3.927 -1.837 2.451 326 3HB ALA 46 3HB ALA 46 4.453 -0.966 0.991 327 H TRP 47 H TRP 47 2.806 -0.715 4.330 328 HA TRP 47 HA TRP 47 0.681 0.638 3.148 329 1HB TRP 47 1HB TRP 47 0.305 -1.297 4.488 330 2HB TRP 47 2HB TRP 47 1.055 -0.561 5.891 331 HD1 TRP 47 HD TRP 47 -0.855 -0.070 7.598 332 HE1 TRP 47 1HE TRP 47 -3.287 0.952 7.611 333 HE3 TRP 47 3HE TRP 47 -1.173 0.586 2.567 334 HZ2 TRP 47 2HZ TRP 47 -5.033 1.899 5.562 335 HZ3 TRP 47 3HZ TRP 47 -3.276 1.565 1.653 336 HH2 TRP 47 HH TRP 47 -5.165 2.214 3.063 337 H CYS 48 H CYS 48 3.038 1.508 5.704 338 HA CYS 48 HA CYS 48 1.707 3.745 6.672 339 1HB CYS 48 1HB CYS 48 4.629 2.967 6.616 340 2HB CYS 48 2HB CYS 48 4.088 4.469 7.337 341 HG CYS 48 HG CYS 48 3.769 1.373 8.216 342 H LEU 49 H LEU 49 4.299 3.371 4.144 343 HA LEU 49 HA LEU 49 4.565 5.989 3.425 344 1HB LEU 49 1HB LEU 49 4.703 3.482 1.748 345 2HB LEU 49 2HB LEU 49 5.203 5.062 1.178 346 HG LEU 49 HG LEU 49 6.390 3.755 3.634 347 1HD1 LEU 49 1HD1 LEU 49 7.414 3.648 0.784 348 2HD1 LEU 49 2HD1 LEU 49 8.284 3.080 2.228 349 3HD1 LEU 49 3HD1 LEU 49 6.772 2.284 1.729 350 1HD2 LEU 49 1HD2 LEU 49 7.302 6.065 1.898 351 2HD2 LEU 49 2HD2 LEU 49 6.695 6.151 3.571 352 3HD2 LEU 49 3HD2 LEU 49 8.242 5.342 3.225 353 H VAL 50 H VAL 50 2.235 3.566 2.044 354 HA VAL 50 HA VAL 50 0.957 5.503 0.430 355 HB VAL 50 HB VAL 50 -0.734 3.723 0.143 356 1HG1 VAL 50 1HG1 VAL 50 1.276 3.778 -1.263 357 2HG1 VAL 50 2HG1 VAL 50 2.147 2.782 -0.072 358 3HG1 VAL 50 3HG1 VAL 50 0.756 2.105 -0.952 359 1HG2 VAL 50 1HG2 VAL 50 0.875 2.384 2.326 360 2HG2 VAL 50 2HG2 VAL 50 -0.882 2.658 2.240 361 3HG2 VAL 50 3HG2 VAL 50 -0.116 1.455 1.176 362 H ARG 51 H ARG 51 1.036 7.018 2.529 363 HA ARG 51 HA ARG 51 -1.635 7.384 3.201 364 1HB ARG 51 1HB ARG 51 -0.008 5.770 5.083 365 2HB ARG 51 2HB ARG 51 -0.739 7.166 5.849 366 1HG ARG 51 1HG ARG 51 -2.833 6.269 5.739 367 2HG ARG 51 2HG ARG 51 -2.638 5.804 4.061 368 1HD ARG 51 1HD ARG 51 -2.957 3.842 5.633 369 2HD ARG 51 2HD ARG 51 -1.497 3.742 4.670 370 HE ARG 51 HE ARG 51 -0.215 3.954 6.620 371 1HH1 ARG 51 1HH1 ARG 51 -3.518 4.971 7.288 372 2HH1 ARG 51 2HH1 ARG 51 -3.262 5.117 8.995 373 1HH2 ARG 51 1HH2 ARG 51 0.122 4.147 8.872 374 2HH2 ARG 51 2HH2 ARG 51 -1.178 4.646 9.902 375 H SER 52 H SER 52 1.836 7.873 4.000 376 HA SER 52 HA SER 52 1.862 10.051 5.485 377 1HB SER 52 1HB SER 52 3.946 9.157 4.766 378 2HB SER 52 2HB SER 52 3.540 9.317 3.070 379 HG SER 52 HG SER 52 4.537 11.247 4.883 380 H LYS 53 H LYS 53 2.152 12.437 4.953 381 HA LYS 53 HA LYS 53 -0.030 13.303 3.371 382 1HB LYS 53 1HB LYS 53 0.808 15.574 3.987 383 2HB LYS 53 2HB LYS 53 0.515 14.515 5.353 384 1HG LYS 53 1HG LYS 53 2.652 14.831 6.032 385 2HG LYS 53 2HG LYS 53 3.216 14.033 4.577 386 1HD LYS 53 1HD LYS 53 3.969 15.992 3.717 387 2HD LYS 53 2HD LYS 53 2.394 16.739 3.908 388 1HE LYS 53 1HE LYS 53 3.221 16.739 6.521 389 2HE LYS 53 2HE LYS 53 4.777 16.840 5.720 390 1HZ LYS 53 1HZ LYS 53 3.760 18.999 6.134 391 2HZ LYS 53 2HZ LYS 53 4.027 18.754 4.542 392 3HZ LYS 53 3HZ LYS 53 2.515 18.625 5.145 393 H TYR 54 H TYR 54 3.052 12.187 2.545 394 HA TYR 54 HA TYR 54 3.251 13.972 0.235 395 1HB TYR 54 1HB TYR 54 4.991 12.050 1.837 396 2HB TYR 54 2HB TYR 54 5.435 12.328 0.164 397 HD1 TYR 54 1HD TYR 54 4.877 14.043 3.420 398 HD2 TYR 54 2HD TYR 54 6.603 14.289 -0.486 399 HE1 TYR 54 1HE TYR 54 6.112 16.162 4.092 400 HE2 TYR 54 2HE TYR 54 7.832 16.408 0.197 401 HH TYR 54 HH TYR 54 7.139 18.000 3.208 402 H ASN 55 H ASN 55 3.817 12.948 -1.898 403 HA ASN 55 HA ASN 55 2.074 10.683 -2.255 404 1HB ASN 55 1HB ASN 55 2.623 11.184 -4.754 405 2HB ASN 55 2HB ASN 55 1.698 12.395 -3.888 406 1HD2 ASN 55 1HD2 ASN 55 4.297 11.845 -5.855 407 2HD2 ASN 55 2HD2 ASN 55 5.209 13.297 -5.610 408 H GLU 56 H GLU 56 5.496 11.690 -2.369 409 HA GLU 56 HA GLU 56 6.610 9.783 -3.915 410 1HB GLU 56 1HB GLU 56 7.482 11.671 -1.957 411 2HB GLU 56 2HB GLU 56 8.248 10.150 -1.547 412 1HG GLU 56 1HG GLU 56 8.700 10.064 -4.201 413 2HG GLU 56 2HG GLU 56 8.529 11.802 -4.053 414 H ASP 57 H ASP 57 5.914 9.550 -0.355 415 HA ASP 57 HA ASP 57 6.906 7.109 0.126 416 1HB ASP 57 1HB ASP 57 4.501 8.613 1.148 417 2HB ASP 57 2HB ASP 57 4.685 6.945 1.651 418 H ILE 58 H ILE 58 3.538 7.929 -1.004 419 HA ILE 58 HA ILE 58 2.476 5.437 -1.173 420 HB ILE 58 HB ILE 58 2.110 7.910 -2.839 421 1HG1 ILE 58 1HG1 ILE 58 0.054 6.671 -1.043 422 2HG1 ILE 58 2HG1 ILE 58 1.399 7.530 -0.318 423 1HG2 ILE 58 1HG2 ILE 58 0.371 5.439 -3.027 424 2HG2 ILE 58 2HG2 ILE 58 0.233 6.951 -3.956 425 3HG2 ILE 58 3HG2 ILE 58 1.622 5.870 -4.218 426 1HD1 ILE 58 1HD1 ILE 58 0.614 9.243 -2.386 427 2HD1 ILE 58 2HD1 ILE 58 -0.926 8.592 -1.778 428 3HD1 ILE 58 3HD1 ILE 58 0.189 9.422 -0.667 429 H ARG 59 H ARG 59 4.922 6.952 -3.266 430 HA ARG 59 HA ARG 59 4.674 5.054 -5.310 431 1HB ARG 59 1HB ARG 59 5.841 7.441 -5.252 432 2HB ARG 59 2HB ARG 59 7.251 6.549 -4.718 433 1HG ARG 59 1HG ARG 59 7.057 5.069 -6.748 434 2HG ARG 59 2HG ARG 59 5.687 6.021 -7.290 435 1HD ARG 59 1HD ARG 59 7.999 7.724 -6.620 436 2HD ARG 59 2HD ARG 59 8.402 6.538 -7.844 437 HE ARG 59 HE ARG 59 5.849 7.846 -8.379 438 1HH1 ARG 59 1HH1 ARG 59 9.338 8.160 -8.720 439 2HH1 ARG 59 2HH1 ARG 59 9.236 9.238 -10.072 440 1HH2 ARG 59 1HH2 ARG 59 5.715 9.269 -10.163 441 2HH2 ARG 59 2HH2 ARG 59 7.162 9.873 -10.898 442 H ARG 60 H ARG 60 7.052 5.528 -2.598 443 HA ARG 60 HA ARG 60 8.285 3.039 -3.201 444 1HB ARG 60 1HB ARG 60 9.637 3.563 -1.110 445 2HB ARG 60 2HB ARG 60 9.695 4.819 -2.329 446 1HG ARG 60 1HG ARG 60 7.410 5.335 -0.640 447 2HG ARG 60 2HG ARG 60 8.785 5.021 0.400 448 1HD ARG 60 1HD ARG 60 8.493 7.173 -1.726 449 2HD ARG 60 2HD ARG 60 8.877 7.372 -0.028 450 HE ARG 60 HE ARG 60 10.758 6.791 -2.164 451 1HH1 ARG 60 1HH1 ARG 60 10.159 6.297 1.268 452 2HH1 ARG 60 2HH1 ARG 60 11.834 6.100 1.663 453 1HH2 ARG 60 1HH2 ARG 60 12.968 6.531 -1.644 454 2HH2 ARG 60 2HH2 ARG 60 13.442 6.234 -0.005 455 H GLY 61 H GLY 61 5.318 3.545 -2.098 456 1HA GLY 61 1HA GLY 61 5.474 1.683 0.188 457 2HA GLY 61 2HA GLY 61 4.187 2.832 -0.118 458 H ILE 62 H ILE 62 3.867 2.391 -2.970 459 HA ILE 62 HA ILE 62 2.188 0.117 -2.852 460 HB ILE 62 HB ILE 62 3.052 1.918 -5.113 461 1HG1 ILE 62 1HG1 ILE 62 0.366 1.818 -3.737 462 2HG1 ILE 62 2HG1 ILE 62 1.675 2.812 -3.130 463 1HG2 ILE 62 1HG2 ILE 62 1.558 -0.602 -5.149 464 2HG2 ILE 62 2HG2 ILE 62 0.678 0.759 -5.885 465 3HG2 ILE 62 3HG2 ILE 62 2.296 0.321 -6.480 466 1HD1 ILE 62 1HD1 ILE 62 0.353 4.206 -4.596 467 2HD1 ILE 62 2HD1 ILE 62 1.863 3.839 -5.463 468 3HD1 ILE 62 3HD1 ILE 62 0.366 2.971 -5.878 469 H VAL 63 H VAL 63 5.348 0.848 -4.458 470 HA VAL 63 HA VAL 63 5.696 -1.449 -5.859 471 HB VAL 63 HB VAL 63 8.101 -1.064 -5.554 472 1HG1 VAL 63 1HG1 VAL 63 6.905 0.270 -7.197 473 2HG1 VAL 63 2HG1 VAL 63 6.449 1.454 -5.948 474 3HG1 VAL 63 3HG1 VAL 63 8.157 1.264 -6.413 475 1HG2 VAL 63 1HG2 VAL 63 8.411 -0.513 -3.298 476 2HG2 VAL 63 2HG2 VAL 63 8.707 1.021 -4.150 477 3HG2 VAL 63 3HG2 VAL 63 7.152 0.744 -3.332 478 H LEU 64 H LEU 64 6.656 -0.902 -2.394 479 HA LEU 64 HA LEU 64 7.585 -3.419 -1.873 480 1HB LEU 64 1HB LEU 64 5.972 -1.882 0.137 481 2HB LEU 64 2HB LEU 64 7.384 -2.889 0.388 482 HG LEU 64 HG LEU 64 7.286 -0.121 -0.825 483 1HD1 LEU 64 1HD1 LEU 64 9.078 0.111 1.104 484 2HD1 LEU 64 2HD1 LEU 64 7.333 0.240 1.432 485 3HD1 LEU 64 3HD1 LEU 64 8.193 -1.281 1.775 486 1HD2 LEU 64 1HD2 LEU 64 9.448 -0.247 -1.567 487 2HD2 LEU 64 2HD2 LEU 64 9.878 -1.566 -0.453 488 3HD2 LEU 64 3HD2 LEU 64 8.901 -1.907 -1.901 489 H LEU 65 H LEU 65 4.217 -2.246 -1.149 490 HA LEU 65 HA LEU 65 3.189 -4.710 -0.498 491 1HB LEU 65 1HB LEU 65 2.249 -2.064 -0.975 492 2HB LEU 65 2HB LEU 65 1.195 -3.171 -1.832 493 HG LEU 65 HG LEU 65 0.694 -4.377 0.207 494 1HD1 LEU 65 1HD1 LEU 65 1.886 -2.677 2.193 495 2HD1 LEU 65 2HD1 LEU 65 2.045 -4.434 1.964 496 3HD1 LEU 65 3HD1 LEU 65 3.150 -3.324 1.119 497 1HD2 LEU 65 1HD2 LEU 65 -0.876 -2.910 0.807 498 2HD2 LEU 65 2HD2 LEU 65 0.322 -1.706 1.338 499 3HD2 LEU 65 3HD2 LEU 65 -0.134 -1.812 -0.380 500 H GLU 66 H GLU 66 3.856 -3.256 -3.683 501 HA GLU 66 HA GLU 66 2.342 -5.143 -5.110 502 1HB GLU 66 1HB GLU 66 4.378 -3.035 -5.762 503 2HB GLU 66 2HB GLU 66 4.104 -4.273 -6.971 504 1HG GLU 66 1HG GLU 66 1.602 -3.796 -6.780 505 2HG GLU 66 2HG GLU 66 1.994 -2.445 -5.735 506 H GLU 67 H GLU 67 5.342 -5.308 -3.415 507 HA GLU 67 HA GLU 67 6.354 -7.406 -5.114 508 1HB GLU 67 1HB GLU 67 7.442 -5.674 -2.938 509 2HB GLU 67 2HB GLU 67 8.101 -7.296 -3.005 510 1HG GLU 67 1HG GLU 67 7.936 -6.230 -5.705 511 2HG GLU 67 2HG GLU 67 8.754 -5.066 -4.681 512 H LEU 68 H LEU 68 4.710 -6.885 -2.009 513 HA LEU 68 HA LEU 68 5.180 -9.586 -1.133 514 1HB LEU 68 1HB LEU 68 3.283 -7.552 0.028 515 2HB LEU 68 2HB LEU 68 3.951 -8.971 0.809 516 HG LEU 68 HG LEU 68 5.895 -6.937 -0.173 517 1HD1 LEU 68 1HD1 LEU 68 5.204 -6.107 2.434 518 2HD1 LEU 68 2HD1 LEU 68 5.032 -5.205 0.910 519 3HD1 LEU 68 3HD1 LEU 68 3.685 -6.201 1.512 520 1HD2 LEU 68 1HD2 LEU 68 5.991 -8.074 2.566 521 2HD2 LEU 68 2HD2 LEU 68 6.176 -9.221 1.217 522 3HD2 LEU 68 3HD2 LEU 68 7.285 -7.836 1.367 523 H LEU 69 H LEU 69 2.972 -7.884 -3.206 524 HA LEU 69 HA LEU 69 0.606 -9.174 -2.853 525 1HB LEU 69 1HB LEU 69 1.929 -7.664 -4.906 526 2HB LEU 69 2HB LEU 69 1.044 -8.987 -5.641 527 HG LEU 69 HG LEU 69 -0.416 -7.132 -5.628 528 1HD1 LEU 69 1HD1 LEU 69 -2.077 -8.498 -5.089 529 2HD1 LEU 69 2HD1 LEU 69 -1.003 -9.453 -4.038 530 3HD1 LEU 69 3HD1 LEU 69 -1.867 -8.042 -3.381 531 1HD2 LEU 69 1HD2 LEU 69 -0.964 -5.819 -3.624 532 2HD2 LEU 69 2HD2 LEU 69 0.227 -6.753 -2.690 533 3HD2 LEU 69 3HD2 LEU 69 0.765 -5.721 -4.036 534 HA PRO 70 HA PRO 70 2.123 -12.820 -5.410 535 1HB PRO 70 1HB PRO 70 4.655 -12.883 -6.438 536 2HB PRO 70 2HB PRO 70 3.265 -12.322 -7.347 537 1HG PRO 70 1HG PRO 70 5.433 -10.739 -6.109 538 2HG PRO 70 2HG PRO 70 4.297 -10.259 -7.354 539 1HD PRO 70 1HD PRO 70 4.209 -9.539 -4.578 540 2HD PRO 70 2HD PRO 70 3.010 -9.156 -5.799 541 H LYS 71 H LYS 71 4.372 -11.385 -3.239 542 HA LYS 71 HA LYS 71 5.236 -14.028 -2.374 543 1HB LYS 71 1HB LYS 71 6.182 -11.223 -1.739 544 2HB LYS 71 2HB LYS 71 6.769 -12.641 -0.894 545 1HG LYS 71 1HG LYS 71 7.262 -13.612 -3.279 546 2HG LYS 71 2HG LYS 71 7.065 -11.964 -3.842 547 1HD LYS 71 1HD LYS 71 8.751 -11.563 -1.700 548 2HD LYS 71 2HD LYS 71 9.257 -13.163 -2.207 549 1HE LYS 71 1HE LYS 71 9.238 -12.071 -4.644 550 2HE LYS 71 2HE LYS 71 9.355 -10.565 -3.757 551 1HZ LYS 71 1HZ LYS 71 11.488 -11.690 -4.369 552 2HZ LYS 71 2HZ LYS 71 11.354 -11.234 -2.807 553 3HZ LYS 71 3HZ LYS 71 11.165 -12.803 -3.218 554 H GLY 72 H GLY 72 2.419 -12.971 -2.069 555 1HA GLY 72 1HA GLY 72 2.164 -12.451 0.772 556 2HA GLY 72 2HA GLY 72 0.886 -12.548 -0.422 557 H SER 73 H SER 73 -0.274 -13.874 1.219 558 HA SER 73 HA SER 73 0.720 -16.615 1.157 559 1HB SER 73 1HB SER 73 0.588 -15.254 3.434 560 2HB SER 73 2HB SER 73 -1.123 -15.619 3.337 561 HG SER 73 HG SER 73 -0.754 -17.723 3.723 562 H LYS 74 H LYS 74 -2.260 -14.569 1.594 563 HA LYS 74 HA LYS 74 -3.643 -15.644 -0.527 564 1HB LYS 74 1HB LYS 74 -3.411 -17.604 1.420 565 2HB LYS 74 2HB LYS 74 -4.992 -16.921 1.742 566 1HG LYS 74 1HG LYS 74 -5.233 -17.079 -0.929 567 2HG LYS 74 2HG LYS 74 -3.991 -18.303 -0.749 568 1HD LYS 74 1HD LYS 74 -5.646 -19.127 1.235 569 2HD LYS 74 2HD LYS 74 -6.835 -18.319 0.234 570 1HE LYS 74 1HE LYS 74 -6.469 -19.766 -1.610 571 2HE LYS 74 2HE LYS 74 -4.877 -20.240 -1.054 572 1HZ LYS 74 1HZ LYS 74 -5.748 -21.819 0.211 573 2HZ LYS 74 2HZ LYS 74 -6.949 -20.878 0.792 574 3HZ LYS 74 3HZ LYS 74 -7.124 -21.630 -0.646 575 H GLU 75 H GLU 75 -4.645 -15.184 2.935 576 HA GLU 75 HA GLU 75 -6.605 -13.322 2.088 577 1HB GLU 75 1HB GLU 75 -5.770 -14.612 4.653 578 2HB GLU 75 2HB GLU 75 -6.572 -13.062 4.807 579 1HG GLU 75 1HG GLU 75 -8.263 -14.175 3.018 580 2HG GLU 75 2HG GLU 75 -7.645 -15.658 3.719 581 H GLU 76 H GLU 76 -3.282 -13.083 2.444 582 HA GLU 76 HA GLU 76 -3.300 -10.495 3.685 583 1HB GLU 76 1HB GLU 76 -1.184 -12.419 2.728 584 2HB GLU 76 2HB GLU 76 -0.745 -10.736 2.943 585 1HG GLU 76 1HG GLU 76 -2.184 -11.277 5.273 586 2HG GLU 76 2HG GLU 76 -1.363 -12.797 4.982 587 H GLN 77 H GLN 77 -3.616 -11.874 0.521 588 HA GLN 77 HA GLN 77 -2.429 -9.725 -0.880 589 1HB GLN 77 1HB GLN 77 -3.860 -12.241 -1.525 590 2HB GLN 77 2HB GLN 77 -4.142 -10.955 -2.682 591 1HG GLN 77 1HG GLN 77 -1.489 -10.645 -2.511 592 2HG GLN 77 2HG GLN 77 -1.538 -12.300 -1.938 593 1HE2 GLN 77 1HE2 GLN 77 -0.636 -13.290 -3.643 594 2HE2 GLN 77 2HE2 GLN 77 -1.316 -13.368 -5.234 595 H ARG 78 H ARG 78 -5.534 -10.344 0.629 596 HA ARG 78 HA ARG 78 -7.016 -8.598 -0.987 597 1HB ARG 78 1HB ARG 78 -7.426 -9.868 1.743 598 2HB ARG 78 2HB ARG 78 -8.562 -8.663 1.170 599 1HG ARG 78 1HG ARG 78 -9.550 -10.631 0.371 600 2HG ARG 78 2HG ARG 78 -8.630 -10.123 -1.031 601 1HD ARG 78 1HD ARG 78 -7.159 -11.889 -0.874 602 2HD ARG 78 2HD ARG 78 -7.083 -11.806 0.875 603 HE ARG 78 HE ARG 78 -8.692 -13.616 -0.607 604 1HH1 ARG 78 1HH1 ARG 78 -9.036 -11.410 2.113 605 2HH1 ARG 78 2HH1 ARG 78 -10.301 -12.327 2.862 606 1HH2 ARG 78 1HH2 ARG 78 -10.361 -14.826 0.380 607 2HH2 ARG 78 2HH2 ARG 78 -11.059 -14.283 1.868 608 H ASP 79 H ASP 79 -5.434 -8.330 2.268 609 HA ASP 79 HA ASP 79 -6.255 -5.713 2.716 610 1HB ASP 79 1HB ASP 79 -4.490 -7.697 3.938 611 2HB ASP 79 2HB ASP 79 -3.742 -6.113 4.005 612 H TYR 80 H TYR 80 -3.786 -7.185 0.704 613 HA TYR 80 HA TYR 80 -1.993 -4.974 0.643 614 1HB TYR 80 1HB TYR 80 -2.608 -7.479 -1.024 615 2HB TYR 80 2HB TYR 80 -1.339 -6.376 -1.520 616 HD1 TYR 80 1HD TYR 80 -0.363 -8.943 -1.202 617 HD2 TYR 80 2HD TYR 80 -1.239 -6.147 1.914 618 HE1 TYR 80 1HE TYR 80 1.273 -10.135 0.336 619 HE2 TYR 80 2HE TYR 80 0.400 -7.348 3.443 620 HH TYR 80 HH TYR 80 1.595 -9.171 3.716 621 H VAL 81 H VAL 81 -3.754 -6.393 -2.180 622 HA VAL 81 HA VAL 81 -3.627 -4.320 -3.850 623 HB VAL 81 HB VAL 81 -6.082 -6.020 -3.369 624 1HG1 VAL 81 1HG1 VAL 81 -5.201 -4.227 -5.601 625 2HG1 VAL 81 2HG1 VAL 81 -6.079 -5.721 -6.005 626 3HG1 VAL 81 3HG1 VAL 81 -6.826 -4.511 -4.936 627 1HG2 VAL 81 1HG2 VAL 81 -3.390 -6.676 -4.340 628 2HG2 VAL 81 2HG2 VAL 81 -4.703 -7.743 -3.785 629 3HG2 VAL 81 3HG2 VAL 81 -4.685 -7.153 -5.464 630 H PHE 82 H PHE 82 -6.173 -4.732 -1.294 631 HA PHE 82 HA PHE 82 -7.730 -2.619 -1.713 632 1HB PHE 82 1HB PHE 82 -7.891 -4.199 0.207 633 2HB PHE 82 2HB PHE 82 -6.381 -3.604 0.869 634 HD1 PHE 82 1HD PHE 82 -6.947 -2.718 2.940 635 HD2 PHE 82 2HD PHE 82 -9.291 -1.681 -0.442 636 HE1 PHE 82 1HE PHE 82 -8.212 -1.053 4.328 637 HE2 PHE 82 2HE PHE 82 -10.556 -0.015 0.946 638 HZ PHE 82 HZ PHE 82 -10.001 0.279 3.313 639 H TYR 83 H TYR 83 -4.388 -2.513 -0.392 640 HA TYR 83 HA TYR 83 -4.566 0.325 0.087 641 1HB TYR 83 1HB TYR 83 -2.393 -1.855 0.124 642 2HB TYR 83 2HB TYR 83 -2.035 -0.192 0.544 643 HD1 TYR 83 1HD TYR 83 -5.226 -0.469 1.720 644 HD2 TYR 83 2HD TYR 83 -1.328 -2.028 2.543 645 HE1 TYR 83 1HE TYR 83 -5.910 -0.930 4.124 646 HE2 TYR 83 2HE TYR 83 -2.025 -2.483 4.944 647 HH TYR 83 HH TYR 83 -4.316 -1.125 6.442 648 H LEU 84 H LEU 84 -2.867 -1.915 -2.202 649 HA LEU 84 HA LEU 84 -1.355 -0.125 -3.563 650 1HB LEU 84 1HB LEU 84 -2.833 -2.595 -4.422 651 2HB LEU 84 2HB LEU 84 -1.879 -1.674 -5.567 652 HG LEU 84 HG LEU 84 0.053 -1.938 -3.851 653 1HD1 LEU 84 1HD1 LEU 84 -1.968 -3.907 -2.817 654 2HD1 LEU 84 2HD1 LEU 84 -0.224 -4.232 -2.670 655 3HD1 LEU 84 3HD1 LEU 84 -0.923 -2.775 -1.925 656 1HD2 LEU 84 1HD2 LEU 84 -0.120 -2.994 -6.110 657 2HD2 LEU 84 2HD2 LEU 84 0.787 -3.951 -4.915 658 3HD2 LEU 84 3HD2 LEU 84 -0.882 -4.404 -5.336 659 H ALA 85 H ALA 85 -4.892 -0.630 -3.742 660 HA ALA 85 HA ALA 85 -5.196 1.083 -6.007 661 1HB ALA 85 1HB ALA 85 -7.478 0.575 -5.809 662 2HB ALA 85 2HB ALA 85 -6.692 -0.876 -5.141 663 3HB ALA 85 3HB ALA 85 -7.375 0.349 -4.046 664 H VAL 86 H VAL 86 -5.269 1.387 -2.442 665 HA VAL 86 HA VAL 86 -6.414 3.961 -2.404 666 HB VAL 86 HB VAL 86 -4.902 2.212 -0.506 667 1HG1 VAL 86 1HG1 VAL 86 -5.461 5.161 -0.132 668 2HG1 VAL 86 2HG1 VAL 86 -5.285 4.044 1.242 669 3HG1 VAL 86 3HG1 VAL 86 -3.935 4.278 0.106 670 1HG2 VAL 86 1HG2 VAL 86 -7.482 2.232 -1.095 671 2HG2 VAL 86 2HG2 VAL 86 -6.920 1.968 0.572 672 3HG2 VAL 86 3HG2 VAL 86 -7.508 3.572 0.076 673 H GLY 87 H GLY 87 -3.020 2.725 -2.463 674 1HA GLY 87 1HA GLY 87 -1.830 5.304 -2.284 675 2HA GLY 87 2HA GLY 87 -1.058 3.800 -2.744 676 H ASN 88 H ASN 88 -2.555 3.013 -5.006 677 HA ASN 88 HA ASN 88 -1.325 4.464 -6.970 678 1HB ASN 88 1HB ASN 88 -3.632 2.503 -6.893 679 2HB ASN 88 2HB ASN 88 -3.324 3.345 -8.399 680 1HD2 ASN 88 1HD2 ASN 88 -2.922 0.520 -7.197 681 2HD2 ASN 88 2HD2 ASN 88 -1.336 0.055 -7.719 682 H TYR 89 H TYR 89 -4.737 4.532 -5.724 683 HA TYR 89 HA TYR 89 -5.825 6.326 -7.501 684 1HB TYR 89 1HB TYR 89 -7.258 5.247 -5.904 685 2HB TYR 89 2HB TYR 89 -6.139 5.520 -4.585 686 HD1 TYR 89 1HD TYR 89 -8.525 7.302 -6.840 687 HD2 TYR 89 2HD TYR 89 -6.468 7.307 -3.089 688 HE1 TYR 89 1HE TYR 89 -9.896 9.306 -6.084 689 HE2 TYR 89 2HE TYR 89 -7.846 9.311 -2.344 690 HH TYR 89 HH TYR 89 -10.613 10.186 -3.668 691 H ARG 90 H ARG 90 -4.011 6.965 -4.433 692 HA ARG 90 HA ARG 90 -4.426 9.639 -4.312 693 1HB ARG 90 1HB ARG 90 -2.874 7.781 -2.945 694 2HB ARG 90 2HB ARG 90 -1.640 8.796 -3.666 695 1HG ARG 90 1HG ARG 90 -3.965 10.183 -2.349 696 2HG ARG 90 2HG ARG 90 -2.803 9.396 -1.300 697 1HD ARG 90 1HD ARG 90 -1.087 10.867 -1.851 698 2HD ARG 90 2HD ARG 90 -1.649 11.083 -3.496 699 HE ARG 90 HE ARG 90 -2.968 12.886 -2.789 700 1HH1 ARG 90 1HH1 ARG 90 -2.002 10.990 0.013 701 2HH1 ARG 90 2HH1 ARG 90 -2.626 12.129 1.159 702 1HH2 ARG 90 1HH2 ARG 90 -3.792 14.389 -1.278 703 2HH2 ARG 90 2HH2 ARG 90 -3.651 14.076 0.421 704 H LEU 91 H LEU 91 -2.243 7.754 -6.413 705 HA LEU 91 HA LEU 91 -0.939 10.165 -7.361 706 1HB LEU 91 1HB LEU 91 -0.542 7.327 -8.297 707 2HB LEU 91 2HB LEU 91 0.516 8.701 -8.551 708 HG LEU 91 HG LEU 91 -0.087 7.644 -5.786 709 1HD1 LEU 91 1HD1 LEU 91 0.794 5.734 -6.830 710 2HD1 LEU 91 2HD1 LEU 91 1.971 6.681 -7.771 711 3HD1 LEU 91 3HD1 LEU 91 2.181 6.494 -6.014 712 1HD2 LEU 91 1HD2 LEU 91 1.062 9.449 -5.188 713 2HD2 LEU 91 2HD2 LEU 91 2.498 8.690 -5.917 714 3HD2 LEU 91 3HD2 LEU 91 1.502 9.812 -6.875 715 H LYS 92 H LYS 92 -3.928 9.444 -7.702 716 HA LYS 92 HA LYS 92 -5.484 9.610 -9.261 717 1HB LYS 92 1HB LYS 92 -4.315 11.782 -9.601 718 2HB LYS 92 2HB LYS 92 -3.350 11.048 -10.866 719 1HG LYS 92 1HG LYS 92 -6.213 10.511 -11.262 720 2HG LYS 92 2HG LYS 92 -5.897 12.232 -11.160 721 1HD LYS 92 1HD LYS 92 -3.811 11.323 -12.789 722 2HD LYS 92 2HD LYS 92 -5.150 10.305 -13.280 723 1HE LYS 92 1HE LYS 92 -6.550 12.492 -13.433 724 2HE LYS 92 2HE LYS 92 -5.029 13.351 -13.297 725 1HZ LYS 92 1HZ LYS 92 -4.544 12.854 -15.379 726 2HZ LYS 92 2HZ LYS 92 -4.905 11.270 -15.213 727 3HZ LYS 92 3HZ LYS 92 -6.084 12.344 -15.568 728 H GLU 93 H GLU 93 -3.491 7.290 -9.216 729 HA GLU 93 HA GLU 93 -3.488 6.534 -11.991 730 1HB GLU 93 1HB GLU 93 -2.417 5.201 -9.470 731 2HB GLU 93 2HB GLU 93 -2.335 4.445 -11.049 732 1HG GLU 93 1HG GLU 93 -1.209 7.225 -10.484 733 2HG GLU 93 2HG GLU 93 -0.253 5.763 -10.337 734 H TYR 94 H TYR 94 -6.096 6.893 -11.253 735 HA TYR 94 HA TYR 94 -7.508 4.984 -9.986 736 1HB TYR 94 1HB TYR 94 -8.100 6.098 -12.795 737 2HB TYR 94 2HB TYR 94 -9.296 5.664 -11.590 738 HD1 TYR 94 1HD TYR 94 -9.237 8.310 -12.983 739 HD2 TYR 94 2HD TYR 94 -7.387 7.029 -9.344 740 HE1 TYR 94 1HE TYR 94 -9.247 10.704 -12.126 741 HE2 TYR 94 2HE TYR 94 -7.403 9.427 -8.499 742 HH TYR 94 HH TYR 94 -9.038 11.961 -10.301 743 H GLU 95 H GLU 95 -6.334 4.813 -13.415 744 HA GLU 95 HA GLU 95 -7.484 2.601 -14.275 745 1HB GLU 95 1HB GLU 95 -4.594 3.489 -14.565 746 2HB GLU 95 2HB GLU 95 -5.206 2.092 -15.428 747 1HG GLU 95 1HG GLU 95 -6.446 4.881 -15.572 748 2HG GLU 95 2HG GLU 95 -5.329 4.237 -16.759 749 H LYS 96 H LYS 96 -4.168 2.331 -12.804 750 HA LYS 96 HA LYS 96 -4.278 -0.382 -12.390 751 1HB LYS 96 1HB LYS 96 -2.710 1.850 -11.110 752 2HB LYS 96 2HB LYS 96 -2.526 0.199 -10.554 753 1HG LYS 96 1HG LYS 96 -0.846 0.558 -12.256 754 2HG LYS 96 2HG LYS 96 -2.060 -0.497 -12.953 755 1HD LYS 96 1HD LYS 96 -3.087 1.363 -14.166 756 2HD LYS 96 2HD LYS 96 -2.089 2.532 -13.325 757 1HE LYS 96 1HE LYS 96 -0.261 0.668 -14.466 758 2HE LYS 96 2HE LYS 96 -1.463 0.960 -15.709 759 1HZ LYS 96 1HZ LYS 96 -0.693 2.996 -15.996 760 2HZ LYS 96 2HZ LYS 96 -0.688 3.349 -14.401 761 3HZ LYS 96 3HZ LYS 96 0.593 2.593 -15.073 762 H ALA 97 H ALA 97 -5.115 2.296 -10.090 763 HA ALA 97 HA ALA 97 -5.702 0.957 -7.861 764 1HB ALA 97 1HB ALA 97 -6.097 3.228 -7.716 765 2HB ALA 97 2HB ALA 97 -6.958 3.289 -9.272 766 3HB ALA 97 3HB ALA 97 -7.774 2.642 -7.827 767 H LEU 98 H LEU 98 -8.331 1.615 -10.285 768 HA LEU 98 HA LEU 98 -10.146 -0.143 -9.277 769 1HB LEU 98 1HB LEU 98 -9.655 1.197 -11.842 770 2HB LEU 98 2HB LEU 98 -10.605 -0.270 -11.976 771 HG LEU 98 HG LEU 98 -12.028 1.697 -11.770 772 1HD1 LEU 98 1HD1 LEU 98 -13.103 0.912 -9.418 773 2HD1 LEU 98 2HD1 LEU 98 -13.299 0.025 -10.950 774 3HD1 LEU 98 3HD1 LEU 98 -12.064 -0.489 -9.775 775 1HD2 LEU 98 1HD2 LEU 98 -11.261 2.188 -8.934 776 2HD2 LEU 98 2HD2 LEU 98 -10.184 2.813 -10.205 777 3HD2 LEU 98 3HD2 LEU 98 -11.894 3.304 -10.167 778 H LYS 99 H LYS 99 -7.896 -0.846 -12.049 779 HA LYS 99 HA LYS 99 -8.424 -3.432 -12.448 780 1HB LYS 99 1HB LYS 99 -6.172 -1.666 -12.864 781 2HB LYS 99 2HB LYS 99 -5.605 -3.280 -12.489 782 1HG LYS 99 1HG LYS 99 -7.175 -4.203 -14.240 783 2HG LYS 99 2HG LYS 99 -7.643 -2.564 -14.650 784 1HD LYS 99 1HD LYS 99 -5.957 -3.010 -16.233 785 2HD LYS 99 2HD LYS 99 -5.078 -2.136 -14.994 786 1HE LYS 99 1HE LYS 99 -3.683 -3.999 -15.388 787 2HE LYS 99 2HE LYS 99 -4.576 -4.494 -13.965 788 1HZ LYS 99 1HZ LYS 99 -4.712 -5.519 -16.631 789 2HZ LYS 99 2HZ LYS 99 -5.043 -6.257 -15.212 790 3HZ LYS 99 3HZ LYS 99 -6.172 -5.317 -15.927 791 H TYR 100 H TYR 100 -6.810 -2.018 -9.609 792 HA TYR 100 HA TYR 100 -6.131 -4.644 -8.589 793 1HB TYR 100 1HB TYR 100 -5.546 -1.761 -8.181 794 2HB TYR 100 2HB TYR 100 -5.854 -2.550 -6.648 795 HD1 TYR 100 1HD TYR 100 -3.222 -1.321 -7.940 796 HD2 TYR 100 2HD TYR 100 -4.702 -5.296 -7.376 797 HE1 TYR 100 1HE TYR 100 -0.840 -2.212 -7.915 798 HE2 TYR 100 2HE TYR 100 -2.315 -6.173 -7.352 799 HH TYR 100 HH TYR 100 -0.173 -5.576 -8.096 800 H VAL 101 H VAL 101 -8.443 -1.950 -7.964 801 HA VAL 101 HA VAL 101 -9.495 -3.075 -5.606 802 HB VAL 101 HB VAL 101 -9.830 -0.760 -7.239 803 1HG1 VAL 101 1HG1 VAL 101 -12.418 -2.171 -6.517 804 2HG1 VAL 101 2HG1 VAL 101 -12.301 -0.443 -6.931 805 3HG1 VAL 101 3HG1 VAL 101 -11.863 -1.680 -8.136 806 1HG2 VAL 101 1HG2 VAL 101 -9.394 -0.254 -5.058 807 2HG2 VAL 101 2HG2 VAL 101 -11.170 -0.147 -4.999 808 3HG2 VAL 101 3HG2 VAL 101 -10.348 -1.620 -4.431 809 H ARG 102 H ARG 102 -10.599 -3.098 -9.063 810 HA ARG 102 HA ARG 102 -12.863 -4.556 -8.642 811 1HB ARG 102 1HB ARG 102 -10.998 -4.673 -11.067 812 2HB ARG 102 2HB ARG 102 -12.681 -5.160 -11.065 813 1HG ARG 102 1HG ARG 102 -11.725 -2.344 -10.369 814 2HG ARG 102 2HG ARG 102 -12.272 -2.821 -11.963 815 1HD ARG 102 1HD ARG 102 -14.047 -3.314 -9.550 816 2HD ARG 102 2HD ARG 102 -13.989 -1.722 -10.280 817 HE ARG 102 HE ARG 102 -15.359 -4.010 -11.342 818 1HH1 ARG 102 1HH1 ARG 102 -13.400 -1.282 -12.395 819 2HH1 ARG 102 2HH1 ARG 102 -14.105 -1.222 -13.975 820 1HH2 ARG 102 1HH2 ARG 102 -16.289 -3.931 -13.428 821 2HH2 ARG 102 2HH2 ARG 102 -15.760 -2.738 -14.567 822 H GLY 103 H GLY 103 -9.447 -5.574 -8.944 823 1HA GLY 103 1HA GLY 103 -10.043 -8.377 -9.186 824 2HA GLY 103 2HA GLY 103 -8.476 -7.627 -8.956 825 H LEU 104 H LEU 104 -9.994 -6.063 -6.596 826 HA LEU 104 HA LEU 104 -9.282 -8.085 -4.629 827 1HB LEU 104 1HB LEU 104 -8.255 -5.890 -4.463 828 2HB LEU 104 2HB LEU 104 -9.830 -5.124 -4.393 829 HG LEU 104 HG LEU 104 -8.505 -5.440 -2.209 830 1HD1 LEU 104 1HD1 LEU 104 -11.385 -5.798 -2.748 831 2HD1 LEU 104 2HD1 LEU 104 -10.841 -6.327 -1.138 832 3HD1 LEU 104 3HD1 LEU 104 -10.542 -4.656 -1.674 833 1HD2 LEU 104 1HD2 LEU 104 -7.908 -7.803 -2.595 834 2HD2 LEU 104 2HD2 LEU 104 -8.763 -7.554 -1.054 835 3HD2 LEU 104 3HD2 LEU 104 -9.626 -8.245 -2.449 836 H LEU 105 H LEU 105 -11.999 -5.817 -5.429 837 HA LEU 105 HA LEU 105 -13.767 -6.596 -3.517 838 1HB LEU 105 1HB LEU 105 -14.023 -5.577 -6.311 839 2HB LEU 105 2HB LEU 105 -15.468 -6.133 -5.489 840 HG LEU 105 HG LEU 105 -15.032 -3.668 -5.352 841 1HD1 LEU 105 1HD1 LEU 105 -15.755 -3.445 -3.075 842 2HD1 LEU 105 2HD1 LEU 105 -16.491 -4.914 -3.762 843 3HD1 LEU 105 3HD1 LEU 105 -15.102 -5.047 -2.657 844 1HD2 LEU 105 1HD2 LEU 105 -12.634 -3.643 -5.136 845 2HD2 LEU 105 2HD2 LEU 105 -13.356 -2.889 -3.693 846 3HD2 LEU 105 3HD2 LEU 105 -12.719 -4.548 -3.605 847 H GLN 106 H GLN 106 -12.581 -8.418 -6.291 848 HA GLN 106 HA GLN 106 -14.593 -10.168 -6.711 849 1HB GLN 106 1HB GLN 106 -11.745 -10.042 -7.208 850 2HB GLN 106 2HB GLN 106 -12.159 -11.680 -6.739 851 1HG GLN 106 1HG GLN 106 -14.204 -10.722 -8.546 852 2HG GLN 106 2HG GLN 106 -12.643 -10.375 -9.260 853 1HE2 GLN 106 1HE2 GLN 106 -14.629 -12.265 -10.120 854 2HE2 GLN 106 2HE2 GLN 106 -13.917 -13.844 -10.111 855 H THR 107 H THR 107 -11.761 -10.873 -4.530 856 HA THR 107 HA THR 107 -13.293 -12.927 -3.203 857 HB THR 107 HB THR 107 -10.941 -13.347 -3.652 858 HG1 THR 107 1HG THR 107 -11.550 -14.061 -1.553 859 1HG2 THR 107 1HG2 THR 107 -10.652 -10.532 -2.716 860 2HG2 THR 107 2HG2 THR 107 -9.456 -11.656 -2.026 861 3HG2 THR 107 3HG2 THR 107 -9.594 -11.478 -3.791 862 H GLU 108 H GLU 108 -13.250 -9.576 -3.006 863 HA GLU 108 HA GLU 108 -14.257 -9.787 -0.293 864 1HB GLU 108 1HB GLU 108 -12.433 -7.519 -1.192 865 2HB GLU 108 2HB GLU 108 -13.074 -7.776 0.418 866 1HG GLU 108 1HG GLU 108 -11.402 -9.940 -0.895 867 2HG GLU 108 2HG GLU 108 -10.611 -8.561 -0.157 868 HA PRO 109 HA PRO 109 -16.936 -7.447 -3.164 869 1HB PRO 109 1HB PRO 109 -19.128 -9.079 -3.105 870 2HB PRO 109 2HB PRO 109 -17.906 -9.162 -4.357 871 1HG PRO 109 1HG PRO 109 -18.356 -10.996 -2.083 872 2HG PRO 109 2HG PRO 109 -17.445 -11.275 -3.554 873 1HD PRO 109 1HD PRO 109 -16.375 -10.705 -0.954 874 2HD PRO 109 2HD PRO 109 -15.472 -10.869 -2.447 875 H GLN 110 H GLN 110 -17.636 -9.027 -0.133 876 HA GLN 110 HA GLN 110 -19.749 -7.288 0.484 877 1HB GLN 110 1HB GLN 110 -19.645 -8.289 2.711 878 2HB GLN 110 2HB GLN 110 -19.442 -9.544 1.504 879 1HG GLN 110 1HG GLN 110 -16.888 -9.208 1.794 880 2HG GLN 110 2HG GLN 110 -17.274 -8.241 3.205 881 1HE2 GLN 110 1HE2 GLN 110 -15.819 -10.720 3.056 882 2HE2 GLN 110 2HE2 GLN 110 -16.644 -11.890 4.034 883 H ASN 111 H ASN 111 -16.210 -7.242 0.979 884 HA ASN 111 HA ASN 111 -15.890 -5.476 2.938 885 1HB ASN 111 1HB ASN 111 -14.036 -6.492 1.592 886 2HB ASN 111 2HB ASN 111 -14.437 -5.453 0.239 887 1HD2 ASN 111 1HD2 ASN 111 -11.943 -5.621 1.588 888 2HD2 ASN 111 2HD2 ASN 111 -11.580 -4.078 2.287 889 H ASN 112 H ASN 112 -16.730 -3.418 3.305 890 HA ASN 112 HA ASN 112 -18.020 -2.070 1.171 891 1HB ASN 112 1HB ASN 112 -17.412 -1.002 3.973 892 2HB ASN 112 2HB ASN 112 -18.677 -0.448 2.894 893 1HD2 ASN 112 1HD2 ASN 112 -18.133 -2.155 5.577 894 2HD2 ASN 112 2HD2 ASN 112 -19.440 -3.290 5.561 895 H GLN 113 H GLN 113 -15.026 -1.757 3.150 896 HA GLN 113 HA GLN 113 -14.299 0.778 2.411 897 1HB GLN 113 1HB GLN 113 -12.663 -1.670 3.166 898 2HB GLN 113 2HB GLN 113 -11.909 -0.117 2.869 899 1HG GLN 113 1HG GLN 113 -12.933 0.900 4.737 900 2HG GLN 113 2HG GLN 113 -14.261 -0.245 4.767 901 1HE2 GLN 113 1HE2 GLN 113 -14.044 -0.839 6.863 902 2HE2 GLN 113 2HE2 GLN 113 -12.719 -1.755 7.497 903 H ALA 114 H ALA 114 -14.080 -2.310 0.659 904 HA ALA 114 HA ALA 114 -12.327 -1.230 -1.352 905 1HB ALA 114 1HB ALA 114 -13.825 -3.716 -1.919 906 2HB ALA 114 2HB ALA 114 -12.072 -3.406 -1.939 907 3HB ALA 114 3HB ALA 114 -12.896 -3.751 -0.400 908 H LYS 115 H LYS 115 -15.823 -2.033 -0.953 909 HA LYS 115 HA LYS 115 -16.610 -1.554 -3.556 910 1HB LYS 115 1HB LYS 115 -17.934 -1.564 -0.881 911 2HB LYS 115 2HB LYS 115 -18.812 -0.836 -2.211 912 1HG LYS 115 1HG LYS 115 -18.047 -3.059 -3.503 913 2HG LYS 115 2HG LYS 115 -17.900 -3.697 -1.877 914 1HD LYS 115 1HD LYS 115 -20.154 -3.885 -1.659 915 2HD LYS 115 2HD LYS 115 -20.403 -2.217 -2.136 916 1HE LYS 115 1HE LYS 115 -19.709 -3.426 -4.555 917 2HE LYS 115 2HE LYS 115 -20.623 -4.690 -3.756 918 1HZ LYS 115 1HZ LYS 115 -22.446 -3.253 -3.524 919 2HZ LYS 115 2HZ LYS 115 -21.594 -1.929 -3.954 920 3HZ LYS 115 3HZ LYS 115 -21.943 -3.073 -5.066 921 H GLU 116 H GLU 116 -16.787 0.754 -0.749 922 HA GLU 116 HA GLU 116 -17.590 2.929 -2.071 923 1HB GLU 116 1HB GLU 116 -16.092 2.382 0.386 924 2HB GLU 116 2HB GLU 116 -15.612 3.917 -0.311 925 1HG GLU 116 1HG GLU 116 -18.167 4.401 -0.552 926 2HG GLU 116 2HG GLU 116 -18.405 3.038 0.523 927 H LEU 117 H LEU 117 -14.096 2.034 -1.560 928 HA LEU 117 HA LEU 117 -12.924 4.028 -2.962 929 1HB LEU 117 1HB LEU 117 -11.832 2.215 -1.656 930 2HB LEU 117 2HB LEU 117 -12.101 1.122 -2.999 931 HG LEU 117 HG LEU 117 -10.582 2.285 -4.402 932 1HD1 LEU 117 1HD1 LEU 117 -10.824 4.532 -4.275 933 2HD1 LEU 117 2HD1 LEU 117 -11.016 4.530 -2.506 934 3HD1 LEU 117 3HD1 LEU 117 -9.396 4.383 -3.226 935 1HD2 LEU 117 1HD2 LEU 117 -8.500 2.456 -2.865 936 2HD2 LEU 117 2HD2 LEU 117 -9.597 1.866 -1.593 937 3HD2 LEU 117 3HD2 LEU 117 -9.319 0.886 -3.053 938 H GLU 118 H GLU 118 -13.840 0.812 -4.399 939 HA GLU 118 HA GLU 118 -13.258 1.292 -6.942 940 1HB GLU 118 1HB GLU 118 -14.146 -0.843 -6.294 941 2HB GLU 118 2HB GLU 118 -15.657 -0.142 -5.748 942 1HG GLU 118 1HG GLU 118 -15.211 0.582 -8.533 943 2HG GLU 118 2HG GLU 118 -15.042 -1.153 -8.352 944 H ARG 119 H ARG 119 -15.956 2.703 -5.091 945 HA ARG 119 HA ARG 119 -17.143 3.776 -7.451 946 1HB ARG 119 1HB ARG 119 -18.827 3.425 -5.888 947 2HB ARG 119 2HB ARG 119 -17.764 3.697 -4.523 948 1HG ARG 119 1HG ARG 119 -19.323 5.545 -4.579 949 2HG ARG 119 2HG ARG 119 -17.768 6.175 -5.085 950 1HD ARG 119 1HD ARG 119 -18.414 6.279 -7.383 951 2HD ARG 119 2HD ARG 119 -19.746 5.164 -7.158 952 HE ARG 119 HE ARG 119 -20.075 7.555 -5.535 953 1HH1 ARG 119 1HH1 ARG 119 -20.466 6.280 -8.790 954 2HH1 ARG 119 2HH1 ARG 119 -21.699 7.415 -9.225 955 1HH2 ARG 119 1HH2 ARG 119 -21.702 9.053 -6.107 956 2HH2 ARG 119 2HH2 ARG 119 -22.408 9.004 -7.688 957 H LEU 120 H LEU 120 -15.289 4.953 -4.571 958 HA LEU 120 HA LEU 120 -15.382 7.635 -4.967 959 1HB LEU 120 1HB LEU 120 -13.056 5.932 -4.067 960 2HB LEU 120 2HB LEU 120 -13.130 7.675 -3.902 961 HG LEU 120 HG LEU 120 -15.102 5.751 -2.640 962 1HD1 LEU 120 1HD1 LEU 120 -13.373 5.258 -1.292 963 2HD1 LEU 120 2HD1 LEU 120 -12.445 6.700 -1.769 964 3HD1 LEU 120 3HD1 LEU 120 -13.741 6.837 -0.556 965 1HD2 LEU 120 1HD2 LEU 120 -14.739 8.744 -2.457 966 2HD2 LEU 120 2HD2 LEU 120 -16.193 7.821 -2.908 967 3HD2 LEU 120 3HD2 LEU 120 -15.614 7.804 -1.225 968 H ILE 121 H ILE 121 -12.704 5.526 -6.241 969 HA ILE 121 HA ILE 121 -11.565 7.415 -7.855 970 HB ILE 121 HB ILE 121 -11.778 4.442 -8.340 971 1HG1 ILE 121 1HG1 ILE 121 -9.303 5.393 -7.152 972 2HG1 ILE 121 2HG1 ILE 121 -10.676 5.798 -6.142 973 1HG2 ILE 121 1HG2 ILE 121 -10.690 4.890 -10.230 974 2HG2 ILE 121 2HG2 ILE 121 -10.418 6.589 -9.770 975 3HG2 ILE 121 3HG2 ILE 121 -9.298 5.324 -9.209 976 1HD1 ILE 121 1HD1 ILE 121 -11.409 3.485 -6.054 977 2HD1 ILE 121 2HD1 ILE 121 -10.236 3.013 -7.307 978 3HD1 ILE 121 3HD1 ILE 121 -9.666 3.507 -5.695 979 H ASP 122 H ASP 122 -14.405 5.305 -8.473 980 HA ASP 122 HA ASP 122 -14.745 5.538 -11.085 981 1HB ASP 122 1HB ASP 122 -16.330 4.777 -8.996 982 2HB ASP 122 2HB ASP 122 -17.159 6.254 -9.449 983 H LYS 123 H LYS 123 -15.467 8.032 -8.563 984 HA LYS 123 HA LYS 123 -16.387 9.910 -10.551 985 1HB LYS 123 1HB LYS 123 -16.139 9.932 -7.545 986 2HB LYS 123 2HB LYS 123 -16.461 11.406 -8.435 987 1HG LYS 123 1HG LYS 123 -18.369 10.031 -9.606 988 2HG LYS 123 2HG LYS 123 -18.163 8.892 -8.289 989 1HD LYS 123 1HD LYS 123 -18.742 11.872 -7.934 990 2HD LYS 123 2HD LYS 123 -19.949 10.605 -7.836 991 1HE LYS 123 1HE LYS 123 -18.432 9.543 -5.997 992 2HE LYS 123 2HE LYS 123 -17.591 11.079 -5.968 993 1HZ LYS 123 1HZ LYS 123 -19.921 12.039 -5.706 994 2HZ LYS 123 2HZ LYS 123 -20.370 10.530 -5.276 995 3HZ LYS 123 3HZ LYS 123 -19.235 11.322 -4.409 996 H ALA 124 H ALA 124 -13.525 9.347 -8.437 997 HA ALA 124 HA ALA 124 -12.155 11.656 -8.808 998 1HB ALA 124 1HB ALA 124 -11.602 9.452 -7.518 999 2HB ALA 124 2HB ALA 124 -10.777 8.975 -9.021 1000 3HB ALA 124 3HB ALA 124 -10.262 10.438 -8.148 1001 H MET 125 H MET 125 -12.798 9.056 -11.153 1002 HA MET 125 HA MET 125 -10.850 9.919 -12.991 1003 1HB MET 125 1HB MET 125 -13.418 8.278 -13.370 1004 2HB MET 125 2HB MET 125 -12.126 8.382 -14.550 1005 1HG MET 125 1HG MET 125 -10.966 7.665 -11.992 1006 2HG MET 125 2HG MET 125 -12.327 6.604 -12.296 1007 1HE MET 125 1HE MET 125 -11.460 4.125 -13.790 1008 2HE MET 125 2HE MET 125 -9.753 4.237 -13.297 1009 3HE MET 125 3HE MET 125 -11.035 4.797 -12.197 1010 H LYS 126 H LYS 126 -14.399 10.476 -12.600 1011 HA LYS 126 HA LYS 126 -14.409 12.197 -14.926 1012 1HB LYS 126 1HB LYS 126 -16.369 10.722 -13.348 1013 2HB LYS 126 2HB LYS 126 -16.885 12.371 -13.642 1014 1HG LYS 126 1HG LYS 126 -15.683 11.170 -16.046 1015 2HG LYS 126 2HG LYS 126 -17.033 10.221 -15.458 1016 1HD LYS 126 1HD LYS 126 -17.453 13.188 -15.522 1017 2HD LYS 126 2HD LYS 126 -17.315 12.403 -17.083 1018 1HE LYS 126 1HE LYS 126 -19.099 10.754 -16.365 1019 2HE LYS 126 2HE LYS 126 -19.275 11.642 -14.865 1020 1HZ LYS 126 1HZ LYS 126 -20.873 12.401 -16.421 1021 2HZ LYS 126 2HZ LYS 126 -19.789 13.606 -16.216 1022 3HZ LYS 126 3HZ LYS 126 -19.747 12.690 -17.568 1023 H LYS 127 H LYS 127 -13.034 12.591 -12.055 1024 HA LYS 127 HA LYS 127 -14.198 15.232 -11.556 1025 1HB LYS 127 1HB LYS 127 -12.686 13.267 -9.851 1026 2HB LYS 127 2HB LYS 127 -12.695 14.968 -9.431 1027 1HG LYS 127 1HG LYS 127 -15.197 14.962 -9.452 1028 2HG LYS 127 2HG LYS 127 -15.191 13.262 -9.878 1029 1HD LYS 127 1HD LYS 127 -14.610 12.580 -7.750 1030 2HD LYS 127 2HD LYS 127 -13.562 13.957 -7.475 1031 1HE LYS 127 1HE LYS 127 -15.490 15.420 -7.052 1032 2HE LYS 127 2HE LYS 127 -16.609 14.153 -7.514 1033 1HZ LYS 127 1HZ LYS 127 -15.413 14.582 -5.033 1034 2HZ LYS 127 2HZ LYS 127 -16.554 13.485 -5.435 1035 3HZ LYS 127 3HZ LYS 127 -14.972 13.103 -5.567 1036 H SER 128 H SER 128 -13.258 16.542 -13.112 1037 HA SER 128 HA SER 128 -10.787 16.322 -14.148 1038 1HB SER 128 1HB SER 128 -12.699 18.577 -13.706 1039 2HB SER 128 2HB SER 128 -11.054 19.047 -14.088 1040 HG SER 128 HG SER 128 -11.896 16.991 -15.740 1041 H GLY 129 H GLY 129 -8.669 17.057 -13.625 1042 1HA GLY 129 1HA GLY 129 -8.225 18.580 -11.206 1043 2HA GLY 129 2HA GLY 129 -7.737 16.899 -11.102 1044 HA PRO 130 HA PRO 130 -4.593 19.465 -13.405 1045 1HB PRO 130 1HB PRO 130 -2.899 20.280 -11.421 1046 2HB PRO 130 2HB PRO 130 -4.148 21.307 -12.097 1047 1HG PRO 130 1HG PRO 130 -4.103 19.916 -9.488 1048 2HG PRO 130 2HG PRO 130 -5.110 21.256 -10.001 1049 1HD PRO 130 1HD PRO 130 -5.898 18.507 -9.772 1050 2HD PRO 130 2HD PRO 130 -6.868 19.827 -10.394 1051 H SER 131 H SER 131 -2.228 19.031 -13.749 1052 HA SER 131 HA SER 131 -0.613 17.598 -13.961 1053 1HB SER 131 1HB SER 131 -1.247 17.451 -11.220 1054 2HB SER 131 2HB SER 131 -1.143 15.774 -11.721 1055 HG SER 131 HG SER 131 0.987 15.955 -12.061 1056 H SER 132 H SER 132 -0.157 14.996 -14.043 1057 HA SER 132 HA SER 132 -2.173 13.211 -14.188 1058 1HB SER 132 1HB SER 132 -2.500 13.095 -16.752 1059 2HB SER 132 2HB SER 132 -3.375 14.342 -15.886 1060 HG SER 132 HG SER 132 -1.522 14.617 -17.881 1061 H GLY 133 H GLY 133 0.520 14.439 -16.306 1062 1HA GLY 133 1HA GLY 133 2.643 13.145 -15.804 1063 2HA GLY 133 2HA GLY 133 1.699 11.733 -16.235 Start of MODEL 13 1 H GLY 1 H GLY 1 -24.711 -3.202 8.676 2 1HA GLY 1 1HA GLY 1 -23.481 -3.511 6.562 3 2HA GLY 1 2HA GLY 1 -23.065 -1.811 6.646 4 H SER 2 H SER 2 -21.920 -4.898 7.257 5 HA SER 2 HA SER 2 -20.781 -4.967 9.651 6 1HB SER 2 1HB SER 2 -20.551 -6.650 7.770 7 2HB SER 2 2HB SER 2 -19.301 -5.639 7.070 8 HG SER 2 HG SER 2 -18.614 -5.963 9.644 9 H SER 3 H SER 3 -19.387 -3.700 10.834 10 HA SER 3 HA SER 3 -18.262 -1.428 9.539 11 1HB SER 3 1HB SER 3 -18.870 -2.285 12.266 12 2HB SER 3 2HB SER 3 -17.256 -1.608 12.186 13 HG SER 3 HG SER 3 -18.043 0.362 11.590 14 H GLY 4 H GLY 4 -15.852 -0.840 10.134 15 1HA GLY 4 1HA GLY 4 -14.177 -3.271 9.988 16 2HA GLY 4 2HA GLY 4 -13.957 -1.933 8.877 17 H SER 5 H SER 5 -12.994 0.036 9.583 18 HA SER 5 HA SER 5 -12.445 0.363 12.356 19 1HB SER 5 1HB SER 5 -10.463 -0.878 10.604 20 2HB SER 5 2HB SER 5 -9.854 0.639 11.237 21 HG SER 5 HG SER 5 -10.785 -1.662 12.712 22 H SER 6 H SER 6 -13.329 2.437 12.320 23 HA SER 6 HA SER 6 -13.249 4.612 12.087 24 1HB SER 6 1HB SER 6 -10.655 3.967 11.298 25 2HB SER 6 2HB SER 6 -11.254 4.864 9.917 26 HG SER 6 HG SER 6 -10.337 5.879 12.198 27 H GLY 7 H GLY 7 -12.409 3.165 8.846 28 1HA GLY 7 1HA GLY 7 -14.651 2.982 7.534 29 2HA GLY 7 2HA GLY 7 -14.577 4.729 7.636 30 H MET 8 H MET 8 -14.457 4.684 5.238 31 HA MET 8 HA MET 8 -11.801 3.895 4.327 32 1HB MET 8 1HB MET 8 -13.615 2.732 3.138 33 2HB MET 8 2HB MET 8 -14.483 4.234 2.883 34 1HG MET 8 1HG MET 8 -13.375 3.691 0.795 35 2HG MET 8 2HG MET 8 -12.524 5.059 1.483 36 1HE MET 8 1HE MET 8 -9.342 3.805 0.379 37 2HE MET 8 2HE MET 8 -10.648 5.014 0.398 38 3HE MET 8 3HE MET 8 -9.615 4.798 1.830 39 H GLU 9 H GLU 9 -14.354 6.450 4.109 40 HA GLU 9 HA GLU 9 -12.889 8.182 2.534 41 1HB GLU 9 1HB GLU 9 -15.423 8.140 3.670 42 2HB GLU 9 2HB GLU 9 -14.666 9.467 4.527 43 1HG GLU 9 1HG GLU 9 -13.993 10.488 2.336 44 2HG GLU 9 2HG GLU 9 -14.771 9.167 1.487 45 H ALA 10 H ALA 10 -12.339 7.131 5.752 46 HA ALA 10 HA ALA 10 -11.027 9.600 6.550 47 1HB ALA 10 1HB ALA 10 -11.164 6.980 8.072 48 2HB ALA 10 2HB ALA 10 -10.937 8.625 8.715 49 3HB ALA 10 3HB ALA 10 -12.516 8.137 8.055 50 H VAL 11 H VAL 11 -10.317 6.175 5.678 51 HA VAL 11 HA VAL 11 -7.613 6.194 6.253 52 HB VAL 11 HB VAL 11 -9.396 4.694 4.373 53 1HG1 VAL 11 1HG1 VAL 11 -7.678 4.314 2.973 54 2HG1 VAL 11 2HG1 VAL 11 -6.479 4.956 4.120 55 3HG1 VAL 11 3HG1 VAL 11 -7.039 3.272 4.268 56 1HG2 VAL 11 1HG2 VAL 11 -9.153 2.929 5.861 57 2HG2 VAL 11 2HG2 VAL 11 -7.595 3.525 6.482 58 3HG2 VAL 11 3HG2 VAL 11 -9.108 4.338 6.948 59 H LEU 12 H LEU 12 -9.419 7.306 3.340 60 HA LEU 12 HA LEU 12 -7.026 7.914 1.915 61 1HB LEU 12 1HB LEU 12 -9.690 7.537 1.297 62 2HB LEU 12 2HB LEU 12 -9.478 9.261 1.070 63 HG LEU 12 HG LEU 12 -7.785 8.942 -0.581 64 1HD1 LEU 12 1HD1 LEU 12 -7.379 6.344 -1.175 65 2HD1 LEU 12 2HD1 LEU 12 -6.336 7.286 -0.081 66 3HD1 LEU 12 3HD1 LEU 12 -7.599 6.225 0.588 67 1HD2 LEU 12 1HD2 LEU 12 -9.086 7.100 -2.064 68 2HD2 LEU 12 2HD2 LEU 12 -10.331 7.448 -0.840 69 3HD2 LEU 12 3HD2 LEU 12 -9.659 8.769 -1.826 70 H ASN 13 H ASN 13 -9.413 9.727 3.912 71 HA ASN 13 HA ASN 13 -8.392 12.233 3.362 72 1HB ASN 13 1HB ASN 13 -10.174 10.984 5.388 73 2HB ASN 13 2HB ASN 13 -9.330 12.392 5.998 74 1HD2 ASN 13 1HD2 ASN 13 -10.694 11.445 2.843 75 2HD2 ASN 13 2HD2 ASN 13 -11.677 12.850 2.598 76 H GLU 14 H GLU 14 -8.241 10.768 6.672 77 HA GLU 14 HA GLU 14 -6.138 12.139 7.580 78 1HB GLU 14 1HB GLU 14 -7.456 9.594 8.258 79 2HB GLU 14 2HB GLU 14 -5.775 9.616 8.749 80 1HG GLU 14 1HG GLU 14 -6.907 10.557 10.610 81 2HG GLU 14 2HG GLU 14 -6.269 11.957 9.769 82 H LEU 15 H LEU 15 -3.825 11.731 7.840 83 HA LEU 15 HA LEU 15 -2.773 9.939 5.763 84 1HB LEU 15 1HB LEU 15 -0.888 11.576 5.584 85 2HB LEU 15 2HB LEU 15 -2.431 12.095 4.935 86 HG LEU 15 HG LEU 15 -2.732 13.248 7.271 87 1HD1 LEU 15 1HD1 LEU 15 -0.466 14.093 8.080 88 2HD1 LEU 15 2HD1 LEU 15 -0.906 12.418 8.495 89 3HD1 LEU 15 3HD1 LEU 15 0.240 12.735 7.170 90 1HD2 LEU 15 1HD2 LEU 15 -1.134 15.157 6.269 91 2HD2 LEU 15 2HD2 LEU 15 -1.272 14.112 4.835 92 3HD2 LEU 15 3HD2 LEU 15 -2.737 14.772 5.599 93 H VAL 16 H VAL 16 -0.610 9.030 6.244 94 HA VAL 16 HA VAL 16 -0.541 7.923 8.793 95 HB VAL 16 HB VAL 16 0.571 7.356 6.436 96 1HG1 VAL 16 1HG1 VAL 16 2.238 9.385 7.187 97 2HG1 VAL 16 2HG1 VAL 16 3.121 7.966 7.800 98 3HG1 VAL 16 3HG1 VAL 16 2.683 8.067 6.077 99 1HG2 VAL 16 1HG2 VAL 16 2.331 6.119 8.252 100 2HG2 VAL 16 2HG2 VAL 16 0.821 6.392 9.154 101 3HG2 VAL 16 3HG2 VAL 16 0.793 5.481 7.625 102 H SER 17 H SER 17 1.025 8.217 10.539 103 HA SER 17 HA SER 17 1.665 11.029 10.792 104 1HB SER 17 1HB SER 17 1.885 8.941 12.986 105 2HB SER 17 2HB SER 17 1.699 10.675 13.161 106 HG SER 17 HG SER 17 -0.248 8.957 13.285 107 H VAL 18 H VAL 18 3.785 11.775 10.866 108 HA VAL 18 HA VAL 18 5.838 10.264 9.874 109 HB VAL 18 HB VAL 18 5.906 12.668 11.707 110 1HG1 VAL 18 1HG1 VAL 18 8.141 12.849 10.129 111 2HG1 VAL 18 2HG1 VAL 18 8.117 12.244 11.803 112 3HG1 VAL 18 3HG1 VAL 18 8.059 11.098 10.443 113 1HG2 VAL 18 1HG2 VAL 18 4.626 13.120 9.708 114 2HG2 VAL 18 2HG2 VAL 18 6.210 13.921 9.568 115 3HG2 VAL 18 3HG2 VAL 18 5.896 12.410 8.682 116 H GLU 19 H GLU 19 5.109 11.028 13.348 117 HA GLU 19 HA GLU 19 7.177 9.791 14.511 118 1HB GLU 19 1HB GLU 19 4.876 10.927 15.405 119 2HB GLU 19 2HB GLU 19 4.495 9.249 15.736 120 1HG GLU 19 1HG GLU 19 7.135 10.498 16.606 121 2HG GLU 19 2HG GLU 19 5.700 10.580 17.607 122 H ASP 20 H ASP 20 4.247 8.265 13.097 123 HA ASP 20 HA ASP 20 4.969 5.695 14.052 124 1HB ASP 20 1HB ASP 20 2.830 6.903 12.342 125 2HB ASP 20 2HB ASP 20 3.190 5.221 12.008 126 H LEU 21 H LEU 21 4.814 7.367 10.814 127 HA LEU 21 HA LEU 21 5.695 5.459 9.156 128 1HB LEU 21 1HB LEU 21 5.087 7.860 8.678 129 2HB LEU 21 2HB LEU 21 6.729 8.293 9.107 130 HG LEU 21 HG LEU 21 6.327 8.105 6.661 131 1HD1 LEU 21 1HD1 LEU 21 8.321 6.028 7.587 132 2HD1 LEU 21 2HD1 LEU 21 8.397 7.073 6.148 133 3HD1 LEU 21 3HD1 LEU 21 8.576 7.780 7.773 134 1HD2 LEU 21 1HD2 LEU 21 6.079 5.919 5.616 135 2HD2 LEU 21 2HD2 LEU 21 6.008 5.142 7.216 136 3HD2 LEU 21 3HD2 LEU 21 4.716 6.256 6.709 137 H LYS 22 H LYS 22 7.732 7.415 11.402 138 HA LYS 22 HA LYS 22 10.169 6.335 10.533 139 1HB LYS 22 1HB LYS 22 9.249 7.793 13.003 140 2HB LYS 22 2HB LYS 22 10.872 7.139 12.910 141 1HG LYS 22 1HG LYS 22 9.882 8.744 10.558 142 2HG LYS 22 2HG LYS 22 10.277 9.618 12.025 143 1HD LYS 22 1HD LYS 22 12.495 8.102 11.925 144 2HD LYS 22 2HD LYS 22 12.091 8.014 10.222 145 1HE LYS 22 1HE LYS 22 12.588 10.232 9.845 146 2HE LYS 22 2HE LYS 22 11.914 10.755 11.376 147 1HZ LYS 22 1HZ LYS 22 14.567 9.661 10.853 148 2HZ LYS 22 2HZ LYS 22 14.163 11.038 11.631 149 3HZ LYS 22 3HZ LYS 22 13.937 9.592 12.357 150 H ASN 23 H ASN 23 8.059 5.521 13.377 151 HA ASN 23 HA ASN 23 9.430 3.606 14.531 152 1HB ASN 23 1HB ASN 23 6.668 4.296 14.324 153 2HB ASN 23 2HB ASN 23 6.727 2.568 14.042 154 1HD2 ASN 23 1HD2 ASN 23 5.539 3.798 16.260 155 2HD2 ASN 23 2HD2 ASN 23 6.379 3.334 17.702 156 H PHE 24 H PHE 24 7.828 3.452 11.333 157 HA PHE 24 HA PHE 24 8.428 0.624 11.074 158 1HB PHE 24 1HB PHE 24 7.034 2.799 9.416 159 2HB PHE 24 2HB PHE 24 7.302 1.196 8.759 160 HD1 PHE 24 1HD PHE 24 5.275 3.215 10.964 161 HD2 PHE 24 2HD PHE 24 6.185 -0.768 9.819 162 HE1 PHE 24 1HE PHE 24 3.145 2.422 12.029 163 HE2 PHE 24 2HE PHE 24 4.055 -1.562 10.884 164 HZ PHE 24 HZ PHE 24 2.560 0.044 11.977 165 H GLU 25 H GLU 25 9.402 3.830 9.762 166 HA GLU 25 HA GLU 25 10.916 2.941 7.666 167 1HB GLU 25 1HB GLU 25 10.267 5.365 8.528 168 2HB GLU 25 2HB GLU 25 11.819 5.293 9.337 169 1HG GLU 25 1HG GLU 25 12.993 4.941 7.229 170 2HG GLU 25 2HG GLU 25 11.490 4.703 6.362 171 H ARG 26 H ARG 26 11.531 2.828 11.141 172 HA ARG 26 HA ARG 26 14.323 2.449 10.821 173 1HB ARG 26 1HB ARG 26 12.719 1.691 13.296 174 2HB ARG 26 2HB ARG 26 14.379 2.245 13.216 175 1HG ARG 26 1HG ARG 26 12.530 4.205 12.032 176 2HG ARG 26 2HG ARG 26 12.102 3.838 13.691 177 1HD ARG 26 1HD ARG 26 14.897 4.085 13.799 178 2HD ARG 26 2HD ARG 26 14.436 5.318 12.643 179 HE ARG 26 HE ARG 26 13.558 6.552 14.411 180 1HH1 ARG 26 1HH1 ARG 26 13.563 3.154 15.323 181 2HH1 ARG 26 2HH1 ARG 26 12.976 3.451 16.926 182 1HH2 ARG 26 1HH2 ARG 26 12.783 6.945 16.525 183 2HH2 ARG 26 2HH2 ARG 26 12.529 5.622 17.613 184 H LYS 27 H LYS 27 11.625 0.350 12.101 185 HA LYS 27 HA LYS 27 12.891 -1.994 12.353 186 1HB LYS 27 1HB LYS 27 10.302 -1.181 12.429 187 2HB LYS 27 2HB LYS 27 10.264 -2.171 10.984 188 1HG LYS 27 1HG LYS 27 10.933 -4.131 12.145 189 2HG LYS 27 2HG LYS 27 11.631 -3.229 13.475 190 1HD LYS 27 1HD LYS 27 9.151 -2.381 13.864 191 2HD LYS 27 2HD LYS 27 8.704 -3.766 12.888 192 1HE LYS 27 1HE LYS 27 9.473 -5.318 14.474 193 2HE LYS 27 2HE LYS 27 10.656 -4.213 15.146 194 1HZ LYS 27 1HZ LYS 27 7.930 -3.370 15.422 195 2HZ LYS 27 2HZ LYS 27 8.311 -4.722 16.255 196 3HZ LYS 27 3HZ LYS 27 9.147 -3.342 16.512 197 H PHE 28 H PHE 28 11.561 -0.675 9.248 198 HA PHE 28 HA PHE 28 12.231 -2.794 7.640 199 1HB PHE 28 1HB PHE 28 10.951 -0.537 7.226 200 2HB PHE 28 2HB PHE 28 12.525 0.191 6.978 201 HD1 PHE 28 1HD PHE 28 13.472 0.190 4.855 202 HD2 PHE 28 2HD PHE 28 10.382 -2.585 5.725 203 HE1 PHE 28 1HE PHE 28 13.411 -0.497 2.442 204 HE2 PHE 28 2HE PHE 28 10.320 -3.272 3.312 205 HZ PHE 28 HZ PHE 28 11.836 -2.220 1.699 206 H GLN 29 H GLN 29 14.182 0.240 8.153 207 HA GLN 29 HA GLN 29 16.333 -0.512 6.687 208 1HB GLN 29 1HB GLN 29 16.072 1.224 9.163 209 2HB GLN 29 2HB GLN 29 17.624 1.008 8.380 210 1HG GLN 29 1HG GLN 29 16.364 1.664 6.171 211 2HG GLN 29 2HG GLN 29 15.103 2.257 7.233 212 1HE2 GLN 29 1HE2 GLN 29 15.221 4.367 7.303 213 2HE2 GLN 29 2HE2 GLN 29 16.638 5.330 7.559 214 H SER 30 H SER 30 16.263 -0.665 10.326 215 HA SER 30 HA SER 30 18.476 -2.077 10.721 216 1HB SER 30 1HB SER 30 16.243 -1.371 12.244 217 2HB SER 30 2HB SER 30 16.254 -3.119 12.367 218 HG SER 30 HG SER 30 18.802 -2.397 12.691 219 H GLU 31 H GLU 31 15.181 -3.551 10.222 220 HA GLU 31 HA GLU 31 15.957 -6.153 10.276 221 1HB GLU 31 1HB GLU 31 13.749 -4.741 8.736 222 2HB GLU 31 2HB GLU 31 13.919 -6.485 8.699 223 1HG GLU 31 1HG GLU 31 13.868 -5.037 11.364 224 2HG GLU 31 2HG GLU 31 12.366 -5.355 10.521 225 H GLN 32 H GLN 32 16.317 -3.735 7.688 226 HA GLN 32 HA GLN 32 16.787 -5.527 5.618 227 1HB GLN 32 1HB GLN 32 16.414 -2.872 5.721 228 2HB GLN 32 2HB GLN 32 18.166 -2.850 5.679 229 1HG GLN 32 1HG GLN 32 18.179 -4.176 3.596 230 2HG GLN 32 2HG GLN 32 16.439 -4.365 3.666 231 1HE2 GLN 32 1HE2 GLN 32 18.608 -2.929 1.937 232 2HE2 GLN 32 2HE2 GLN 32 17.901 -1.389 1.579 233 H ALA 33 H ALA 33 19.143 -3.575 7.596 234 HA ALA 33 HA ALA 33 21.393 -4.917 6.565 235 1HB ALA 33 1HB ALA 33 20.747 -2.825 8.504 236 2HB ALA 33 2HB ALA 33 22.074 -3.866 9.072 237 3HB ALA 33 3HB ALA 33 22.204 -3.036 7.503 238 H ALA 34 H ALA 34 18.893 -5.937 8.662 239 HA ALA 34 HA ALA 34 20.449 -7.535 10.421 240 1HB ALA 34 1HB ALA 34 17.629 -8.282 9.855 241 2HB ALA 34 2HB ALA 34 18.436 -7.946 11.405 242 3HB ALA 34 3HB ALA 34 17.884 -6.601 10.379 243 H GLY 35 H GLY 35 19.261 -7.826 7.120 244 1HA GLY 35 1HA GLY 35 20.753 -9.733 6.136 245 2HA GLY 35 2HA GLY 35 19.687 -10.726 7.110 246 H SER 36 H SER 36 17.294 -9.012 6.810 247 HA SER 36 HA SER 36 16.711 -8.416 4.214 248 1HB SER 36 1HB SER 36 15.237 -10.447 3.644 249 2HB SER 36 2HB SER 36 16.969 -10.661 3.477 250 HG SER 36 HG SER 36 16.288 -11.291 6.039 251 H VAL 37 H VAL 37 14.860 -7.177 4.357 252 HA VAL 37 HA VAL 37 13.498 -7.022 6.818 253 HB VAL 37 HB VAL 37 13.033 -5.872 4.068 254 1HG1 VAL 37 1HG1 VAL 37 10.969 -5.245 4.628 255 2HG1 VAL 37 2HG1 VAL 37 11.122 -6.088 6.188 256 3HG1 VAL 37 3HG1 VAL 37 11.614 -4.384 6.046 257 1HG2 VAL 37 1HG2 VAL 37 13.516 -3.792 5.783 258 2HG2 VAL 37 2HG2 VAL 37 14.524 -5.078 6.488 259 3HG2 VAL 37 3HG2 VAL 37 14.751 -4.602 4.788 260 H SER 38 H SER 38 11.681 -8.036 7.561 261 HA SER 38 HA SER 38 10.734 -10.214 6.012 262 1HB SER 38 1HB SER 38 9.863 -9.084 8.707 263 2HB SER 38 2HB SER 38 9.202 -10.551 8.013 264 HG SER 38 HG SER 38 10.911 -11.092 9.447 265 H LYS 39 H LYS 39 8.490 -10.540 5.312 266 HA LYS 39 HA LYS 39 7.397 -8.507 3.900 267 1HB LYS 39 1HB LYS 39 5.308 -9.861 3.908 268 2HB LYS 39 2HB LYS 39 6.750 -10.778 3.522 269 1HG LYS 39 1HG LYS 39 6.839 -11.331 6.084 270 2HG LYS 39 2HG LYS 39 5.182 -10.760 6.127 271 1HD LYS 39 1HD LYS 39 4.425 -12.472 4.629 272 2HD LYS 39 2HD LYS 39 6.052 -12.842 4.089 273 1HE LYS 39 1HE LYS 39 5.862 -13.168 6.989 274 2HE LYS 39 2HE LYS 39 4.607 -14.100 6.197 275 1HZ LYS 39 1HZ LYS 39 7.186 -14.823 6.429 276 2HZ LYS 39 2HZ LYS 39 6.111 -15.491 5.398 277 3HZ LYS 39 3HZ LYS 39 7.114 -14.310 4.881 278 H SER 40 H SER 40 6.516 -9.507 7.273 279 HA SER 40 HA SER 40 4.489 -7.901 7.792 280 1HB SER 40 1HB SER 40 5.408 -7.696 10.146 281 2HB SER 40 2HB SER 40 5.379 -9.330 9.513 282 HG SER 40 HG SER 40 7.475 -8.095 10.538 283 H THR 41 H THR 41 7.897 -6.828 8.523 284 HA THR 41 HA THR 41 7.231 -4.137 8.841 285 HB THR 41 HB THR 41 9.829 -5.587 8.112 286 HG1 THR 41 1HG THR 41 8.827 -6.075 10.188 287 1HG2 THR 41 1HG2 THR 41 10.289 -3.271 7.618 288 2HG2 THR 41 2HG2 THR 41 9.258 -2.708 8.956 289 3HG2 THR 41 3HG2 THR 41 10.817 -3.496 9.303 290 H GLN 42 H GLN 42 8.251 -5.987 5.928 291 HA GLN 42 HA GLN 42 8.665 -3.876 4.269 292 1HB GLN 42 1HB GLN 42 8.965 -6.411 3.859 293 2HB GLN 42 2HB GLN 42 7.275 -6.437 3.396 294 1HG GLN 42 1HG GLN 42 7.641 -4.948 1.543 295 2HG GLN 42 2HG GLN 42 9.216 -4.463 2.135 296 1HE2 GLN 42 1HE2 GLN 42 8.915 -5.300 -0.424 297 2HE2 GLN 42 2HE2 GLN 42 9.674 -6.834 -0.683 298 H PHE 43 H PHE 43 5.579 -5.810 4.398 299 HA PHE 43 HA PHE 43 4.100 -4.015 2.903 300 1HB PHE 43 1HB PHE 43 3.076 -6.116 3.232 301 2HB PHE 43 2HB PHE 43 3.697 -6.266 4.864 302 HD1 PHE 43 1HD PHE 43 2.427 -5.502 6.750 303 HD2 PHE 43 2HD PHE 43 1.007 -4.836 2.806 304 HE1 PHE 43 1HE PHE 43 0.173 -4.883 7.665 305 HE2 PHE 43 2HE PHE 43 -1.247 -4.216 3.722 306 HZ PHE 43 HZ PHE 43 -1.636 -4.247 6.141 307 H GLU 44 H GLU 44 4.646 -4.228 6.464 308 HA GLU 44 HA GLU 44 2.761 -2.469 7.290 309 1HB GLU 44 1HB GLU 44 5.470 -3.286 8.294 310 2HB GLU 44 2HB GLU 44 4.733 -1.887 9.048 311 1HG GLU 44 1HG GLU 44 2.689 -3.209 9.557 312 2HG GLU 44 2HG GLU 44 3.370 -4.606 8.746 313 H TYR 45 H TYR 45 6.257 -1.548 6.862 314 HA TYR 45 HA TYR 45 5.791 1.186 6.891 315 1HB TYR 45 1HB TYR 45 7.996 0.027 7.172 316 2HB TYR 45 2HB TYR 45 7.883 -0.636 5.554 317 HD1 TYR 45 1HD TYR 45 9.061 0.415 3.849 318 HD2 TYR 45 2HD TYR 45 7.898 2.704 7.271 319 HE1 TYR 45 1HE TYR 45 10.324 2.426 2.942 320 HE2 TYR 45 2HE TYR 45 9.166 4.708 6.353 321 HH TYR 45 HH TYR 45 11.433 4.481 4.001 322 H ALA 46 H ALA 46 5.078 -1.171 4.437 323 HA ALA 46 HA ALA 46 5.263 0.715 2.262 324 1HB ALA 46 1HB ALA 46 4.489 -1.178 0.919 325 2HB ALA 46 2HB ALA 46 5.792 -1.707 2.009 326 3HB ALA 46 3HB ALA 46 4.098 -2.096 2.393 327 H TRP 47 H TRP 47 2.956 -0.321 4.691 328 HA TRP 47 HA TRP 47 0.690 0.619 3.152 329 1HB TRP 47 1HB TRP 47 0.307 -1.332 4.439 330 2HB TRP 47 2HB TRP 47 1.012 -0.624 5.878 331 HD1 TRP 47 HD TRP 47 -0.888 -0.095 7.578 332 HE1 TRP 47 1HE TRP 47 -3.363 0.820 7.569 333 HE3 TRP 47 3HE TRP 47 -1.251 0.387 2.528 334 HZ2 TRP 47 2HZ TRP 47 -5.155 1.624 5.499 335 HZ3 TRP 47 3HZ TRP 47 -3.398 1.244 1.595 336 HH2 TRP 47 HH TRP 47 -5.309 1.854 2.993 337 H CYS 48 H CYS 48 3.014 1.663 5.619 338 HA CYS 48 HA CYS 48 1.481 3.807 6.605 339 1HB CYS 48 1HB CYS 48 4.432 3.150 6.703 340 2HB CYS 48 2HB CYS 48 3.791 4.627 7.392 341 HG CYS 48 HG CYS 48 3.510 1.508 8.234 342 H LEU 49 H LEU 49 3.962 3.375 4.013 343 HA LEU 49 HA LEU 49 4.256 6.056 3.349 344 1HB LEU 49 1HB LEU 49 4.584 3.504 1.783 345 2HB LEU 49 2HB LEU 49 4.943 5.077 1.101 346 HG LEU 49 HG LEU 49 6.241 4.044 3.632 347 1HD1 LEU 49 1HD1 LEU 49 6.825 3.438 0.793 348 2HD1 LEU 49 2HD1 LEU 49 8.220 3.877 1.808 349 3HD1 LEU 49 3HD1 LEU 49 7.178 2.510 2.270 350 1HD2 LEU 49 1HD2 LEU 49 6.150 6.559 3.031 351 2HD2 LEU 49 2HD2 LEU 49 7.711 5.837 3.490 352 3HD2 LEU 49 3HD2 LEU 49 7.341 6.141 1.776 353 H VAL 50 H VAL 50 2.017 3.535 2.014 354 HA VAL 50 HA VAL 50 0.748 5.351 0.265 355 HB VAL 50 HB VAL 50 -0.929 3.539 0.076 356 1HG1 VAL 50 1HG1 VAL 50 0.460 2.090 -1.135 357 2HG1 VAL 50 2HG1 VAL 50 1.357 3.627 -1.127 358 3HG1 VAL 50 3HG1 VAL 50 1.830 2.315 -0.021 359 1HG2 VAL 50 1HG2 VAL 50 -0.114 1.333 1.271 360 2HG2 VAL 50 2HG2 VAL 50 0.586 2.479 2.440 361 3HG2 VAL 50 3HG2 VAL 50 -1.165 2.493 2.119 362 H ARG 51 H ARG 51 0.787 6.989 2.279 363 HA ARG 51 HA ARG 51 -1.851 7.504 2.814 364 1HB ARG 51 1HB ARG 51 -0.507 5.766 4.820 365 2HB ARG 51 2HB ARG 51 -1.254 7.189 5.520 366 1HG ARG 51 1HG ARG 51 -3.367 6.406 5.150 367 2HG ARG 51 2HG ARG 51 -2.993 5.905 3.513 368 1HD ARG 51 1HD ARG 51 -3.592 4.029 5.191 369 2HD ARG 51 2HD ARG 51 -2.156 3.780 4.217 370 HE ARG 51 HE ARG 51 -0.852 3.903 6.155 371 1HH1 ARG 51 1HH1 ARG 51 -4.011 5.308 6.810 372 2HH1 ARG 51 2HH1 ARG 51 -3.718 5.494 8.508 373 1HH2 ARG 51 1HH2 ARG 51 -0.464 4.150 8.395 374 2HH2 ARG 51 2HH2 ARG 51 -1.687 4.831 9.414 375 H SER 52 H SER 52 1.582 7.726 3.803 376 HA SER 52 HA SER 52 1.692 9.839 5.379 377 1HB SER 52 1HB SER 52 3.636 10.291 3.278 378 2HB SER 52 2HB SER 52 3.893 9.676 4.898 379 HG SER 52 HG SER 52 4.537 8.162 3.203 380 H LYS 53 H LYS 53 1.949 12.202 5.082 381 HA LYS 53 HA LYS 53 -0.043 13.292 3.473 382 1HB LYS 53 1HB LYS 53 0.984 15.469 4.128 383 2HB LYS 53 2HB LYS 53 0.639 14.402 5.475 384 1HG LYS 53 1HG LYS 53 2.821 14.389 6.092 385 2HG LYS 53 2HG LYS 53 3.306 13.816 4.508 386 1HD LYS 53 1HD LYS 53 3.936 15.904 3.799 387 2HD LYS 53 2HD LYS 53 2.544 16.681 4.526 388 1HE LYS 53 1HE LYS 53 3.649 16.436 6.795 389 2HE LYS 53 2HE LYS 53 5.064 15.778 5.999 390 1HZ LYS 53 1HZ LYS 53 5.596 17.778 5.145 391 2HZ LYS 53 2HZ LYS 53 4.055 18.302 5.012 392 3HZ LYS 53 3HZ LYS 53 4.800 18.318 6.465 393 H TYR 54 H TYR 54 3.116 12.143 2.689 394 HA TYR 54 HA TYR 54 3.230 13.836 0.303 395 1HB TYR 54 1HB TYR 54 5.071 12.064 1.973 396 2HB TYR 54 2HB TYR 54 5.507 12.343 0.299 397 HD1 TYR 54 1HD TYR 54 6.287 14.522 -0.455 398 HD2 TYR 54 2HD TYR 54 5.088 13.913 3.607 399 HE1 TYR 54 1HE TYR 54 7.376 16.723 0.204 400 HE2 TYR 54 2HE TYR 54 6.182 16.115 4.253 401 HH TYR 54 HH TYR 54 6.924 18.076 3.383 402 H ASN 55 H ASN 55 2.599 13.060 -1.649 403 HA ASN 55 HA ASN 55 1.587 10.460 -1.823 404 1HB ASN 55 1HB ASN 55 2.366 12.135 -4.243 405 2HB ASN 55 2HB ASN 55 0.997 11.053 -4.072 406 1HD2 ASN 55 1HD2 ASN 55 0.956 13.760 -4.946 407 2HD2 ASN 55 2HD2 ASN 55 -0.016 14.686 -3.851 408 H GLU 56 H GLU 56 4.622 12.125 -2.822 409 HA GLU 56 HA GLU 56 5.671 10.308 -4.522 410 1HB GLU 56 1HB GLU 56 6.835 12.254 -2.549 411 2HB GLU 56 2HB GLU 56 7.933 11.100 -3.279 412 1HG GLU 56 1HG GLU 56 6.025 12.512 -5.125 413 2HG GLU 56 2HG GLU 56 7.320 13.474 -4.441 414 H ASP 57 H ASP 57 5.058 9.964 -1.090 415 HA ASP 57 HA ASP 57 6.949 7.858 -0.764 416 1HB ASP 57 1HB ASP 57 4.778 9.114 0.937 417 2HB ASP 57 2HB ASP 57 5.488 7.593 1.439 418 H ILE 58 H ILE 58 3.417 8.333 -1.278 419 HA ILE 58 HA ILE 58 2.398 5.897 -0.707 420 HB ILE 58 HB ILE 58 1.771 7.819 -2.938 421 1HG1 ILE 58 1HG1 ILE 58 0.244 7.257 -0.387 422 2HG1 ILE 58 2HG1 ILE 58 1.503 8.471 -0.490 423 1HG2 ILE 58 1HG2 ILE 58 0.436 6.333 -3.898 424 2HG2 ILE 58 2HG2 ILE 58 0.879 5.106 -2.687 425 3HG2 ILE 58 3HG2 ILE 58 -0.487 6.205 -2.382 426 1HD1 ILE 58 1HD1 ILE 58 0.063 9.170 -2.691 427 2HD1 ILE 58 2HD1 ILE 58 -1.233 8.464 -1.696 428 3HD1 ILE 58 3HD1 ILE 58 -0.270 9.822 -1.069 429 H ARG 59 H ARG 59 4.246 6.861 -3.648 430 HA ARG 59 HA ARG 59 3.866 4.473 -4.982 431 1HB ARG 59 1HB ARG 59 6.341 6.257 -5.159 432 2HB ARG 59 2HB ARG 59 5.717 5.204 -6.413 433 1HG ARG 59 1HG ARG 59 3.659 7.082 -5.476 434 2HG ARG 59 2HG ARG 59 5.088 7.931 -6.035 435 1HD ARG 59 1HD ARG 59 4.828 6.056 -8.033 436 2HD ARG 59 2HD ARG 59 3.147 6.261 -7.581 437 HE ARG 59 HE ARG 59 4.186 8.866 -7.774 438 1HH1 ARG 59 1HH1 ARG 59 3.789 6.107 -9.921 439 2HH1 ARG 59 2HH1 ARG 59 3.644 7.078 -11.349 440 1HH2 ARG 59 1HH2 ARG 59 3.994 10.146 -9.656 441 2HH2 ARG 59 2HH2 ARG 59 3.761 9.390 -11.197 442 H ARG 60 H ARG 60 6.393 5.601 -2.661 443 HA ARG 60 HA ARG 60 8.122 3.505 -2.952 444 1HB ARG 60 1HB ARG 60 7.508 5.527 -0.829 445 2HB ARG 60 2HB ARG 60 8.391 4.117 -0.278 446 1HG ARG 60 1HG ARG 60 10.309 4.879 -1.221 447 2HG ARG 60 2HG ARG 60 9.538 5.006 -2.790 448 1HD ARG 60 1HD ARG 60 8.778 7.256 -2.354 449 2HD ARG 60 2HD ARG 60 9.119 7.124 -0.640 450 HE ARG 60 HE ARG 60 11.023 7.789 -2.731 451 1HH1 ARG 60 1HH1 ARG 60 10.728 6.244 0.417 452 2HH1 ARG 60 2HH1 ARG 60 12.380 6.527 0.854 453 1HH2 ARG 60 1HH2 ARG 60 13.204 8.162 -2.156 454 2HH2 ARG 60 2HH2 ARG 60 13.798 7.625 -0.621 455 H GLY 61 H GLY 61 4.923 3.620 -1.562 456 1HA GLY 61 1HA GLY 61 5.283 1.321 0.169 457 2HA GLY 61 2HA GLY 61 3.811 2.225 -0.127 458 H ILE 62 H ILE 62 3.698 2.153 -2.983 459 HA ILE 62 HA ILE 62 2.422 -0.248 -3.407 460 HB ILE 62 HB ILE 62 3.667 1.669 -5.379 461 1HG1 ILE 62 1HG1 ILE 62 0.781 1.481 -4.482 462 2HG1 ILE 62 2HG1 ILE 62 1.947 2.551 -3.727 463 1HG2 ILE 62 1HG2 ILE 62 3.304 -0.092 -6.774 464 2HG2 ILE 62 2HG2 ILE 62 2.032 -0.796 -5.747 465 3HG2 ILE 62 3HG2 ILE 62 1.668 0.608 -6.778 466 1HD1 ILE 62 1HD1 ILE 62 2.441 3.358 -6.191 467 2HD1 ILE 62 2HD1 ILE 62 0.858 2.627 -6.550 468 3HD1 ILE 62 3HD1 ILE 62 0.981 3.943 -5.357 469 H VAL 63 H VAL 63 5.702 0.743 -4.629 470 HA VAL 63 HA VAL 63 6.535 -1.419 -5.880 471 HB VAL 63 HB VAL 63 8.089 0.251 -5.684 472 1HG1 VAL 63 1HG1 VAL 63 8.775 0.569 -2.957 473 2HG1 VAL 63 2HG1 VAL 63 7.927 1.722 -4.015 474 3HG1 VAL 63 3HG1 VAL 63 6.996 0.564 -3.035 475 1HG2 VAL 63 1HG2 VAL 63 9.329 -1.775 -5.536 476 2HG2 VAL 63 2HG2 VAL 63 10.053 -0.656 -4.357 477 3HG2 VAL 63 3HG2 VAL 63 8.969 -1.954 -3.802 478 H LEU 64 H LEU 64 6.893 -1.149 -2.266 479 HA LEU 64 HA LEU 64 7.658 -3.759 -1.858 480 1HB LEU 64 1HB LEU 64 5.936 -2.367 0.144 481 2HB LEU 64 2HB LEU 64 7.372 -3.343 0.382 482 HG LEU 64 HG LEU 64 7.193 -0.468 -0.518 483 1HD1 LEU 64 1HD1 LEU 64 7.903 -1.879 1.948 484 2HD1 LEU 64 2HD1 LEU 64 9.114 -0.676 1.443 485 3HD1 LEU 64 3HD1 LEU 64 7.419 -0.187 1.686 486 1HD2 LEU 64 1HD2 LEU 64 9.789 -0.698 -0.582 487 2HD2 LEU 64 2HD2 LEU 64 9.447 -2.416 -0.898 488 3HD2 LEU 64 3HD2 LEU 64 8.821 -1.166 -2.000 489 H LEU 65 H LEU 65 4.319 -2.338 -1.740 490 HA LEU 65 HA LEU 65 2.978 -4.664 -1.157 491 1HB LEU 65 1HB LEU 65 2.348 -2.044 -2.347 492 2HB LEU 65 2HB LEU 65 1.235 -3.329 -2.777 493 HG LEU 65 HG LEU 65 0.575 -3.682 -0.543 494 1HD1 LEU 65 1HD1 LEU 65 2.040 -3.655 1.119 495 2HD1 LEU 65 2HD1 LEU 65 3.238 -2.837 0.087 496 3HD1 LEU 65 3HD1 LEU 65 2.082 -1.877 1.041 497 1HD2 LEU 65 1HD2 LEU 65 -0.639 -1.841 -1.114 498 2HD2 LEU 65 2HD2 LEU 65 0.245 -1.177 0.280 499 3HD2 LEU 65 3HD2 LEU 65 0.800 -0.826 -1.374 500 H GLU 66 H GLU 66 4.003 -3.347 -4.364 501 HA GLU 66 HA GLU 66 2.820 -5.448 -5.788 502 1HB GLU 66 1HB GLU 66 4.838 -3.289 -6.412 503 2HB GLU 66 2HB GLU 66 4.600 -4.582 -7.571 504 1HG GLU 66 1HG GLU 66 2.032 -4.059 -7.279 505 2HG GLU 66 2HG GLU 66 2.576 -2.546 -6.582 506 H GLU 67 H GLU 67 5.443 -5.423 -3.653 507 HA GLU 67 HA GLU 67 6.807 -7.528 -5.123 508 1HB GLU 67 1HB GLU 67 7.634 -5.600 -2.957 509 2HB GLU 67 2HB GLU 67 8.475 -7.132 -3.072 510 1HG GLU 67 1HG GLU 67 8.309 -6.210 -5.745 511 2HG GLU 67 2HG GLU 67 8.674 -4.776 -4.808 512 H LEU 68 H LEU 68 4.803 -6.812 -2.312 513 HA LEU 68 HA LEU 68 5.388 -9.374 -1.092 514 1HB LEU 68 1HB LEU 68 3.591 -7.080 -0.305 515 2HB LEU 68 2HB LEU 68 3.733 -8.570 0.605 516 HG LEU 68 HG LEU 68 6.142 -6.853 0.000 517 1HD1 LEU 68 1HD1 LEU 68 3.979 -5.907 1.418 518 2HD1 LEU 68 2HD1 LEU 68 5.031 -6.567 2.694 519 3HD1 LEU 68 3HD1 LEU 68 5.660 -5.340 1.568 520 1HD2 LEU 68 1HD2 LEU 68 7.299 -8.188 1.405 521 2HD2 LEU 68 2HD2 LEU 68 5.910 -8.448 2.487 522 3HD2 LEU 68 3HD2 LEU 68 6.039 -9.367 0.967 523 H LEU 69 H LEU 69 3.303 -8.016 -3.485 524 HA LEU 69 HA LEU 69 0.926 -9.272 -3.145 525 1HB LEU 69 1HB LEU 69 2.449 -8.136 -5.324 526 2HB LEU 69 2HB LEU 69 1.518 -9.516 -5.874 527 HG LEU 69 HG LEU 69 0.248 -7.501 -6.212 528 1HD1 LEU 69 1HD1 LEU 69 -1.744 -8.336 -5.546 529 2HD1 LEU 69 2HD1 LEU 69 -0.742 -9.738 -5.097 530 3HD1 LEU 69 3HD1 LEU 69 -1.219 -8.553 -3.858 531 1HD2 LEU 69 1HD2 LEU 69 1.176 -5.954 -4.693 532 2HD2 LEU 69 2HD2 LEU 69 -0.521 -6.162 -4.194 533 3HD2 LEU 69 3HD2 LEU 69 0.780 -6.970 -3.287 534 HA PRO 70 HA PRO 70 2.606 -13.255 -4.988 535 1HB PRO 70 1HB PRO 70 5.184 -13.447 -5.874 536 2HB PRO 70 2HB PRO 70 3.837 -13.054 -6.923 537 1HG PRO 70 1HG PRO 70 5.934 -11.266 -5.852 538 2HG PRO 70 2HG PRO 70 4.855 -11.005 -7.208 539 1HD PRO 70 1HD PRO 70 4.629 -9.855 -4.590 540 2HD PRO 70 2HD PRO 70 3.491 -9.687 -5.910 541 H LYS 71 H LYS 71 4.695 -11.459 -2.943 542 HA LYS 71 HA LYS 71 5.557 -13.920 -1.643 543 1HB LYS 71 1HB LYS 71 6.392 -11.084 -0.998 544 2HB LYS 71 2HB LYS 71 7.185 -12.573 -0.524 545 1HG LYS 71 1HG LYS 71 7.618 -13.088 -2.953 546 2HG LYS 71 2HG LYS 71 6.881 -11.559 -3.391 547 1HD LYS 71 1HD LYS 71 8.926 -10.605 -3.150 548 2HD LYS 71 2HD LYS 71 8.756 -10.838 -1.421 549 1HE LYS 71 1HE LYS 71 9.662 -13.232 -2.990 550 2HE LYS 71 2HE LYS 71 10.802 -11.905 -2.882 551 1HZ LYS 71 1HZ LYS 71 11.217 -12.472 -0.811 552 2HZ LYS 71 2HZ LYS 71 9.647 -12.357 -0.376 553 3HZ LYS 71 3HZ LYS 71 10.233 -13.769 -0.951 554 H GLY 72 H GLY 72 2.792 -13.514 -1.512 555 1HA GLY 72 1HA GLY 72 2.481 -13.168 1.370 556 2HA GLY 72 2HA GLY 72 1.560 -12.089 0.342 557 H SER 73 H SER 73 0.426 -14.067 2.142 558 HA SER 73 HA SER 73 -0.298 -16.326 0.604 559 1HB SER 73 1HB SER 73 -0.153 -16.248 3.131 560 2HB SER 73 2HB SER 73 -1.588 -15.241 3.147 561 HG SER 73 HG SER 73 -1.573 -17.858 3.222 562 H LYS 74 H LYS 74 -3.187 -16.247 1.574 563 HA LYS 74 HA LYS 74 -4.239 -14.955 -0.749 564 1HB LYS 74 1HB LYS 74 -5.277 -16.728 1.422 565 2HB LYS 74 2HB LYS 74 -6.436 -15.747 0.548 566 1HG LYS 74 1HG LYS 74 -5.445 -16.635 -1.626 567 2HG LYS 74 2HG LYS 74 -4.448 -17.717 -0.674 568 1HD LYS 74 1HD LYS 74 -6.943 -18.212 0.410 569 2HD LYS 74 2HD LYS 74 -7.369 -17.845 -1.250 570 1HE LYS 74 1HE LYS 74 -6.899 -20.070 -1.589 571 2HE LYS 74 2HE LYS 74 -5.246 -19.500 -1.703 572 1HZ LYS 74 1HZ LYS 74 -6.232 -20.045 0.953 573 2HZ LYS 74 2HZ LYS 74 -5.989 -21.342 -0.009 574 3HZ LYS 74 3HZ LYS 74 -4.755 -20.321 0.312 575 H GLU 75 H GLU 75 -5.541 -14.700 2.610 576 HA GLU 75 HA GLU 75 -6.680 -12.287 2.278 577 1HB GLU 75 1HB GLU 75 -5.640 -13.814 4.635 578 2HB GLU 75 2HB GLU 75 -6.024 -12.127 4.913 579 1HG GLU 75 1HG GLU 75 -8.276 -12.701 3.635 580 2HG GLU 75 2HG GLU 75 -7.868 -14.362 4.021 581 H GLU 76 H GLU 76 -3.264 -13.027 2.549 582 HA GLU 76 HA GLU 76 -2.419 -10.549 3.515 583 1HB GLU 76 1HB GLU 76 -1.053 -12.759 1.940 584 2HB GLU 76 2HB GLU 76 -0.195 -11.299 2.391 585 1HG GLU 76 1HG GLU 76 -1.724 -12.555 4.618 586 2HG GLU 76 2HG GLU 76 -0.429 -13.551 3.986 587 H GLN 77 H GLN 77 -3.264 -11.786 0.280 588 HA GLN 77 HA GLN 77 -2.128 -9.532 -1.034 589 1HB GLN 77 1HB GLN 77 -3.767 -11.927 -1.881 590 2HB GLN 77 2HB GLN 77 -3.584 -10.581 -2.988 591 1HG GLN 77 1HG GLN 77 -1.095 -10.753 -2.787 592 2HG GLN 77 2HG GLN 77 -1.277 -12.096 -1.676 593 1HE2 GLN 77 1HE2 GLN 77 -0.642 -13.848 -2.683 594 2HE2 GLN 77 2HE2 GLN 77 -1.138 -14.389 -4.251 595 H ARG 78 H ARG 78 -5.108 -10.292 0.603 596 HA ARG 78 HA ARG 78 -6.802 -8.655 -0.873 597 1HB ARG 78 1HB ARG 78 -6.833 -9.908 1.872 598 2HB ARG 78 2HB ARG 78 -7.999 -8.637 1.560 599 1HG ARG 78 1HG ARG 78 -9.116 -10.660 0.946 600 2HG ARG 78 2HG ARG 78 -8.656 -9.920 -0.574 601 1HD ARG 78 1HD ARG 78 -7.322 -11.682 -1.125 602 2HD ARG 78 2HD ARG 78 -6.488 -11.619 0.415 603 HE ARG 78 HE ARG 78 -8.870 -12.750 1.142 604 1HH1 ARG 78 1HH1 ARG 78 -6.635 -13.481 -1.476 605 2HH1 ARG 78 2HH1 ARG 78 -7.039 -15.165 -1.522 606 1HH2 ARG 78 1HH2 ARG 78 -9.403 -14.972 1.083 607 2HH2 ARG 78 2HH2 ARG 78 -8.624 -16.018 -0.057 608 H ASP 79 H ASP 79 -4.611 -8.111 1.923 609 HA ASP 79 HA ASP 79 -5.574 -5.473 2.336 610 1HB ASP 79 1HB ASP 79 -3.857 -7.363 3.677 611 2HB ASP 79 2HB ASP 79 -2.941 -5.885 3.459 612 H TYR 80 H TYR 80 -3.537 -7.027 0.069 613 HA TYR 80 HA TYR 80 -1.672 -4.829 -0.226 614 1HB TYR 80 1HB TYR 80 -2.281 -7.495 -1.642 615 2HB TYR 80 2HB TYR 80 -0.992 -6.436 -2.180 616 HD1 TYR 80 1HD TYR 80 -0.188 -9.081 -1.587 617 HD2 TYR 80 2HD TYR 80 -0.832 -5.865 1.159 618 HE1 TYR 80 1HE TYR 80 1.402 -10.170 0.072 619 HE2 TYR 80 2HE TYR 80 0.759 -6.964 2.809 620 HH TYR 80 HH TYR 80 2.841 -8.671 2.436 621 H VAL 81 H VAL 81 -3.667 -6.643 -2.658 622 HA VAL 81 HA VAL 81 -3.681 -4.874 -4.645 623 HB VAL 81 HB VAL 81 -6.106 -6.379 -3.640 624 1HG1 VAL 81 1HG1 VAL 81 -6.140 -6.449 -6.399 625 2HG1 VAL 81 2HG1 VAL 81 -7.110 -5.363 -5.375 626 3HG1 VAL 81 3HG1 VAL 81 -5.565 -4.800 -6.057 627 1HG2 VAL 81 1HG2 VAL 81 -3.582 -7.256 -4.954 628 2HG2 VAL 81 2HG2 VAL 81 -4.660 -8.126 -3.837 629 3HG2 VAL 81 3HG2 VAL 81 -5.095 -7.976 -5.556 630 H PHE 82 H PHE 82 -5.847 -4.730 -1.744 631 HA PHE 82 HA PHE 82 -7.271 -2.489 -2.518 632 1HB PHE 82 1HB PHE 82 -7.902 -3.899 -0.609 633 2HB PHE 82 2HB PHE 82 -6.335 -3.687 0.145 634 HD1 PHE 82 1HD PHE 82 -8.129 -0.845 -1.321 635 HD2 PHE 82 2HD PHE 82 -7.287 -2.978 2.249 636 HE1 PHE 82 1HE PHE 82 -9.039 1.063 0.034 637 HE2 PHE 82 2HE PHE 82 -8.197 -1.072 3.603 638 HZ PHE 82 HZ PHE 82 -9.062 0.926 2.480 639 H TYR 83 H TYR 83 -4.529 -2.599 -0.123 640 HA TYR 83 HA TYR 83 -4.224 0.152 0.038 641 1HB TYR 83 1HB TYR 83 -2.348 -2.274 0.302 642 2HB TYR 83 2HB TYR 83 -1.840 -0.666 0.777 643 HD1 TYR 83 1HD TYR 83 -5.219 -0.702 1.518 644 HD2 TYR 83 2HD TYR 83 -1.538 -2.406 2.878 645 HE1 TYR 83 1HE TYR 83 -6.229 -1.064 3.823 646 HE2 TYR 83 2HE TYR 83 -2.561 -2.763 5.179 647 HH TYR 83 HH TYR 83 -5.322 -3.054 5.895 648 H LEU 84 H LEU 84 -3.212 -2.140 -2.449 649 HA LEU 84 HA LEU 84 -1.149 -0.490 -3.504 650 1HB LEU 84 1HB LEU 84 -1.805 -3.100 -3.722 651 2HB LEU 84 2HB LEU 84 -2.490 -2.496 -5.218 652 HG LEU 84 HG LEU 84 0.381 -1.997 -4.398 653 1HD1 LEU 84 1HD1 LEU 84 0.926 -4.082 -4.915 654 2HD1 LEU 84 2HD1 LEU 84 -0.793 -4.471 -5.168 655 3HD1 LEU 84 3HD1 LEU 84 0.198 -3.889 -6.528 656 1HD2 LEU 84 1HD2 LEU 84 0.082 -0.466 -6.038 657 2HD2 LEU 84 2HD2 LEU 84 0.385 -1.878 -7.078 658 3HD2 LEU 84 3HD2 LEU 84 -1.284 -1.341 -6.768 659 H ALA 85 H ALA 85 -4.652 -0.602 -3.708 660 HA ALA 85 HA ALA 85 -4.668 0.991 -6.135 661 1HB ALA 85 1HB ALA 85 -7.265 0.832 -5.163 662 2HB ALA 85 2HB ALA 85 -6.527 -0.277 -6.343 663 3HB ALA 85 3HB ALA 85 -6.536 -0.695 -4.614 664 H VAL 86 H VAL 86 -5.851 1.238 -2.703 665 HA VAL 86 HA VAL 86 -6.713 3.806 -2.735 666 HB VAL 86 HB VAL 86 -6.790 2.109 -0.885 667 1HG1 VAL 86 1HG1 VAL 86 -5.017 1.805 0.619 668 2HG1 VAL 86 2HG1 VAL 86 -4.231 1.771 -0.979 669 3HG1 VAL 86 3HG1 VAL 86 -4.143 3.239 0.026 670 1HG2 VAL 86 1HG2 VAL 86 -5.974 4.959 -0.236 671 2HG2 VAL 86 2HG2 VAL 86 -7.620 4.336 -0.498 672 3HG2 VAL 86 3HG2 VAL 86 -6.694 3.828 0.935 673 H GLY 87 H GLY 87 -3.324 2.610 -2.467 674 1HA GLY 87 1HA GLY 87 -2.176 5.176 -2.046 675 2HA GLY 87 2HA GLY 87 -1.353 3.703 -2.522 676 H ASN 88 H ASN 88 -2.688 3.066 -4.951 677 HA ASN 88 HA ASN 88 -1.291 4.676 -6.698 678 1HB ASN 88 1HB ASN 88 -3.323 2.491 -6.882 679 2HB ASN 88 2HB ASN 88 -3.261 3.537 -8.287 680 1HD2 ASN 88 1HD2 ASN 88 -2.261 0.715 -7.309 681 2HD2 ASN 88 2HD2 ASN 88 -0.686 0.580 -8.017 682 H TYR 89 H TYR 89 -4.808 4.492 -5.808 683 HA TYR 89 HA TYR 89 -5.879 6.274 -7.561 684 1HB TYR 89 1HB TYR 89 -7.300 5.108 -5.999 685 2HB TYR 89 2HB TYR 89 -6.267 5.498 -4.638 686 HD1 TYR 89 1HD TYR 89 -8.959 6.725 -6.827 687 HD2 TYR 89 2HD TYR 89 -6.486 7.621 -3.453 688 HE1 TYR 89 1HE TYR 89 -10.497 8.651 -6.202 689 HE2 TYR 89 2HE TYR 89 -8.032 9.543 -2.840 690 HH TYR 89 HH TYR 89 -10.912 9.857 -3.624 691 H ARG 90 H ARG 90 -4.286 7.013 -4.388 692 HA ARG 90 HA ARG 90 -4.795 9.678 -4.364 693 1HB ARG 90 1HB ARG 90 -3.344 7.910 -2.804 694 2HB ARG 90 2HB ARG 90 -2.057 8.905 -3.456 695 1HG ARG 90 1HG ARG 90 -4.520 10.259 -2.336 696 2HG ARG 90 2HG ARG 90 -3.331 9.615 -1.220 697 1HD ARG 90 1HD ARG 90 -1.721 11.181 -1.803 698 2HD ARG 90 2HD ARG 90 -2.222 11.237 -3.482 699 HE ARG 90 HE ARG 90 -3.234 12.907 -1.306 700 1HH1 ARG 90 1HH1 ARG 90 -3.971 11.577 -4.479 701 2HH1 ARG 90 2HH1 ARG 90 -5.120 12.813 -4.871 702 1HH2 ARG 90 1HH2 ARG 90 -4.750 14.537 -1.823 703 2HH2 ARG 90 2HH2 ARG 90 -5.566 14.508 -3.350 704 H LEU 91 H LEU 91 -2.503 7.812 -6.316 705 HA LEU 91 HA LEU 91 -1.119 10.227 -7.160 706 1HB LEU 91 1HB LEU 91 -0.643 7.369 -8.001 707 2HB LEU 91 2HB LEU 91 0.410 8.745 -8.265 708 HG LEU 91 HG LEU 91 -0.264 8.122 -5.434 709 1HD1 LEU 91 1HD1 LEU 91 1.180 6.227 -7.241 710 2HD1 LEU 91 2HD1 LEU 91 1.771 6.450 -5.577 711 3HD1 LEU 91 3HD1 LEU 91 0.101 5.904 -5.863 712 1HD2 LEU 91 1HD2 LEU 91 1.187 9.938 -5.716 713 2HD2 LEU 91 2HD2 LEU 91 2.248 8.584 -5.259 714 3HD2 LEU 91 3HD2 LEU 91 2.145 9.100 -6.960 715 H LYS 92 H LYS 92 -4.071 9.089 -7.756 716 HA LYS 92 HA LYS 92 -5.509 9.397 -9.407 717 1HB LYS 92 1HB LYS 92 -3.234 10.769 -10.869 718 2HB LYS 92 2HB LYS 92 -4.919 10.806 -11.346 719 1HG LYS 92 1HG LYS 92 -5.325 11.671 -8.869 720 2HG LYS 92 2HG LYS 92 -3.617 12.058 -8.912 721 1HD LYS 92 1HD LYS 92 -3.898 13.546 -10.802 722 2HD LYS 92 2HD LYS 92 -5.524 12.967 -11.108 723 1HE LYS 92 1HE LYS 92 -6.025 14.926 -9.956 724 2HE LYS 92 2HE LYS 92 -5.964 13.808 -8.607 725 1HZ LYS 92 1HZ LYS 92 -3.950 15.741 -9.446 726 2HZ LYS 92 2HZ LYS 92 -4.593 15.506 -7.963 727 3HZ LYS 92 3HZ LYS 92 -3.507 14.443 -8.559 728 H GLU 93 H GLU 93 -3.832 6.987 -9.065 729 HA GLU 93 HA GLU 93 -3.542 6.124 -11.814 730 1HB GLU 93 1HB GLU 93 -2.472 5.215 -9.162 731 2HB GLU 93 2HB GLU 93 -2.701 3.981 -10.384 732 1HG GLU 93 1HG GLU 93 -1.292 6.561 -11.122 733 2HG GLU 93 2HG GLU 93 -0.412 5.316 -10.258 734 H TYR 94 H TYR 94 -6.092 6.419 -11.731 735 HA TYR 94 HA TYR 94 -7.643 4.575 -10.322 736 1HB TYR 94 1HB TYR 94 -8.122 5.730 -13.130 737 2HB TYR 94 2HB TYR 94 -9.348 5.362 -11.933 738 HD1 TYR 94 1HD TYR 94 -7.635 6.648 -9.597 739 HD2 TYR 94 2HD TYR 94 -8.929 8.010 -13.441 740 HE1 TYR 94 1HE TYR 94 -7.555 9.055 -8.780 741 HE2 TYR 94 2HE TYR 94 -8.846 10.411 -12.611 742 HH TYR 94 HH TYR 94 -8.958 11.605 -10.548 743 H GLU 95 H GLU 95 -6.710 4.542 -13.842 744 HA GLU 95 HA GLU 95 -7.755 2.247 -14.598 745 1HB GLU 95 1HB GLU 95 -5.034 3.431 -15.227 746 2HB GLU 95 2HB GLU 95 -5.561 1.951 -16.004 747 1HG GLU 95 1HG GLU 95 -7.804 3.551 -16.311 748 2HG GLU 95 2HG GLU 95 -6.521 4.740 -16.399 749 H LYS 96 H LYS 96 -5.069 2.630 -12.314 750 HA LYS 96 HA LYS 96 -4.576 -0.239 -12.337 751 1HB LYS 96 1HB LYS 96 -3.120 2.177 -11.343 752 2HB LYS 96 2HB LYS 96 -2.848 0.657 -10.514 753 1HG LYS 96 1HG LYS 96 -2.179 -0.440 -12.602 754 2HG LYS 96 2HG LYS 96 -2.645 0.962 -13.544 755 1HD LYS 96 1HD LYS 96 -0.909 2.315 -12.254 756 2HD LYS 96 2HD LYS 96 -0.382 0.825 -11.497 757 1HE LYS 96 1HE LYS 96 -0.176 -0.060 -13.991 758 2HE LYS 96 2HE LYS 96 -0.169 1.642 -14.409 759 1HZ LYS 96 1HZ LYS 96 1.579 0.848 -12.258 760 2HZ LYS 96 2HZ LYS 96 1.997 0.339 -13.752 761 3HZ LYS 96 3HZ LYS 96 1.824 1.935 -13.453 762 H ALA 97 H ALA 97 -5.368 2.395 -9.958 763 HA ALA 97 HA ALA 97 -5.808 0.956 -7.745 764 1HB ALA 97 1HB ALA 97 -7.916 2.954 -8.486 765 2HB ALA 97 2HB ALA 97 -6.963 2.804 -6.990 766 3HB ALA 97 3HB ALA 97 -6.224 3.506 -8.450 767 H LEU 98 H LEU 98 -8.458 1.665 -10.140 768 HA LEU 98 HA LEU 98 -10.391 0.102 -9.124 769 1HB LEU 98 1HB LEU 98 -9.644 1.059 -11.803 770 2HB LEU 98 2HB LEU 98 -10.696 -0.342 -11.803 771 HG LEU 98 HG LEU 98 -11.288 2.230 -10.316 772 1HD1 LEU 98 1HD1 LEU 98 -12.664 2.933 -12.078 773 2HD1 LEU 98 2HD1 LEU 98 -11.169 2.377 -12.869 774 3HD1 LEU 98 3HD1 LEU 98 -12.618 1.341 -12.873 775 1HD2 LEU 98 1HD2 LEU 98 -12.303 -0.046 -9.579 776 2HD2 LEU 98 2HD2 LEU 98 -13.366 1.370 -9.768 777 3HD2 LEU 98 3HD2 LEU 98 -13.306 0.125 -11.039 778 H LYS 99 H LYS 99 -8.053 -1.079 -11.650 779 HA LYS 99 HA LYS 99 -8.786 -3.727 -11.486 780 1HB LYS 99 1HB LYS 99 -6.526 -2.167 -12.553 781 2HB LYS 99 2HB LYS 99 -6.113 -3.819 -12.138 782 1HG LYS 99 1HG LYS 99 -7.446 -4.718 -13.789 783 2HG LYS 99 2HG LYS 99 -8.713 -3.529 -13.564 784 1HD LYS 99 1HD LYS 99 -6.538 -2.030 -14.563 785 2HD LYS 99 2HD LYS 99 -6.478 -3.525 -15.474 786 1HE LYS 99 1HE LYS 99 -9.196 -2.298 -15.132 787 2HE LYS 99 2HE LYS 99 -8.078 -1.424 -16.160 788 1HZ LYS 99 1HZ LYS 99 -7.694 -3.636 -17.263 789 2HZ LYS 99 2HZ LYS 99 -9.022 -4.174 -16.479 790 3HZ LYS 99 3HZ LYS 99 -9.144 -2.933 -17.534 791 H TYR 100 H TYR 100 -6.814 -1.745 -9.314 792 HA TYR 100 HA TYR 100 -5.865 -4.100 -7.902 793 1HB TYR 100 1HB TYR 100 -5.385 -1.142 -8.126 794 2HB TYR 100 2HB TYR 100 -5.220 -1.749 -6.491 795 HD1 TYR 100 1HD TYR 100 -3.813 -4.122 -6.450 796 HD2 TYR 100 2HD TYR 100 -3.415 -0.980 -9.327 797 HE1 TYR 100 1HE TYR 100 -1.451 -4.898 -6.982 798 HE2 TYR 100 2HE TYR 100 -1.055 -1.768 -9.849 799 HH TYR 100 HH TYR 100 0.140 -4.124 -9.655 800 H VAL 101 H VAL 101 -8.793 -2.657 -8.066 801 HA VAL 101 HA VAL 101 -9.224 -2.938 -5.171 802 HB VAL 101 HB VAL 101 -9.923 -0.809 -7.065 803 1HG1 VAL 101 1HG1 VAL 101 -12.138 -1.634 -7.013 804 2HG1 VAL 101 2HG1 VAL 101 -12.041 -2.031 -5.281 805 3HG1 VAL 101 3HG1 VAL 101 -12.097 -0.330 -5.802 806 1HG2 VAL 101 1HG2 VAL 101 -10.362 -0.348 -4.206 807 2HG2 VAL 101 2HG2 VAL 101 -8.754 -1.028 -4.559 808 3HG2 VAL 101 3HG2 VAL 101 -9.276 0.481 -5.348 809 H ARG 102 H ARG 102 -10.446 -3.408 -8.520 810 HA ARG 102 HA ARG 102 -12.814 -4.621 -7.802 811 1HB ARG 102 1HB ARG 102 -11.069 -4.541 -10.247 812 2HB ARG 102 2HB ARG 102 -12.256 -5.829 -10.192 813 1HG ARG 102 1HG ARG 102 -13.838 -4.347 -10.851 814 2HG ARG 102 2HG ARG 102 -13.648 -3.508 -9.325 815 1HD ARG 102 1HD ARG 102 -12.854 -1.721 -10.480 816 2HD ARG 102 2HD ARG 102 -11.427 -2.663 -10.866 817 HE ARG 102 HE ARG 102 -13.748 -2.182 -12.631 818 1HH1 ARG 102 1HH1 ARG 102 -10.791 -4.008 -12.081 819 2HH1 ARG 102 2HH1 ARG 102 -10.612 -4.464 -13.742 820 1HH2 ARG 102 1HH2 ARG 102 -13.513 -2.783 -14.823 821 2HH2 ARG 102 2HH2 ARG 102 -12.171 -3.763 -15.313 822 H GLY 103 H GLY 103 -9.596 -6.054 -8.715 823 1HA GLY 103 1HA GLY 103 -10.269 -8.737 -8.416 824 2HA GLY 103 2HA GLY 103 -8.665 -8.048 -8.263 825 H LEU 104 H LEU 104 -10.042 -6.222 -6.020 826 HA LEU 104 HA LEU 104 -9.463 -8.148 -3.909 827 1HB LEU 104 1HB LEU 104 -8.204 -6.068 -3.939 828 2HB LEU 104 2HB LEU 104 -9.688 -5.136 -3.895 829 HG LEU 104 HG LEU 104 -8.304 -5.480 -1.722 830 1HD1 LEU 104 1HD1 LEU 104 -10.752 -5.912 -0.569 831 2HD1 LEU 104 2HD1 LEU 104 -10.149 -4.344 -1.158 832 3HD1 LEU 104 3HD1 LEU 104 -11.201 -5.339 -2.194 833 1HD2 LEU 104 1HD2 LEU 104 -8.459 -7.430 -0.535 834 2HD2 LEU 104 2HD2 LEU 104 -9.979 -7.925 -1.320 835 3HD2 LEU 104 3HD2 LEU 104 -8.435 -8.073 -2.195 836 H LEU 105 H LEU 105 -12.092 -6.643 -5.581 837 HA LEU 105 HA LEU 105 -13.883 -6.822 -3.320 838 1HB LEU 105 1HB LEU 105 -14.306 -6.044 -6.207 839 2HB LEU 105 2HB LEU 105 -15.560 -6.039 -4.983 840 HG LEU 105 HG LEU 105 -13.080 -4.475 -4.414 841 1HD1 LEU 105 1HD1 LEU 105 -14.691 -2.628 -5.704 842 2HD1 LEU 105 2HD1 LEU 105 -13.173 -3.324 -6.319 843 3HD1 LEU 105 3HD1 LEU 105 -14.732 -4.046 -6.779 844 1HD2 LEU 105 1HD2 LEU 105 -14.922 -4.672 -2.774 845 2HD2 LEU 105 2HD2 LEU 105 -14.619 -2.993 -3.285 846 3HD2 LEU 105 3HD2 LEU 105 -16.014 -3.885 -3.940 847 H GLN 106 H GLN 106 -12.910 -8.663 -6.201 848 HA GLN 106 HA GLN 106 -15.078 -10.295 -6.449 849 1HB GLN 106 1HB GLN 106 -12.374 -10.201 -7.400 850 2HB GLN 106 2HB GLN 106 -12.667 -11.840 -6.855 851 1HG GLN 106 1HG GLN 106 -14.980 -10.826 -8.337 852 2HG GLN 106 2HG GLN 106 -13.522 -10.669 -9.296 853 1HE2 GLN 106 1HE2 GLN 106 -13.813 -12.258 -10.728 854 2HE2 GLN 106 2HE2 GLN 106 -13.920 -13.947 -10.357 855 H THR 107 H THR 107 -12.327 -10.454 -4.145 856 HA THR 107 HA THR 107 -13.532 -12.842 -2.937 857 HB THR 107 HB THR 107 -11.204 -13.169 -3.456 858 HG1 THR 107 1HG THR 107 -11.974 -13.531 -1.163 859 1HG2 THR 107 1HG2 THR 107 -11.010 -10.285 -2.716 860 2HG2 THR 107 2HG2 THR 107 -9.699 -11.301 -2.070 861 3HG2 THR 107 3HG2 THR 107 -9.992 -11.237 -3.824 862 H GLU 108 H GLU 108 -13.269 -9.408 -2.601 863 HA GLU 108 HA GLU 108 -14.474 -9.706 0.021 864 1HB GLU 108 1HB GLU 108 -12.388 -7.564 -0.547 865 2HB GLU 108 2HB GLU 108 -13.115 -7.959 0.998 866 1HG GLU 108 1HG GLU 108 -11.559 -10.064 -0.543 867 2HG GLU 108 2HG GLU 108 -10.713 -8.883 0.438 868 HA PRO 109 HA PRO 109 -16.688 -6.867 -2.787 869 1HB PRO 109 1HB PRO 109 -19.062 -8.212 -2.929 870 2HB PRO 109 2HB PRO 109 -17.797 -8.374 -4.130 871 1HG PRO 109 1HG PRO 109 -18.584 -10.268 -2.001 872 2HG PRO 109 2HG PRO 109 -17.639 -10.571 -3.445 873 1HD PRO 109 1HD PRO 109 -16.644 -10.294 -0.769 874 2HD PRO 109 2HD PRO 109 -15.691 -10.481 -2.228 875 H GLN 110 H GLN 110 -17.694 -8.508 0.116 876 HA GLN 110 HA GLN 110 -19.600 -6.524 0.743 877 1HB GLN 110 1HB GLN 110 -19.987 -7.768 2.713 878 2HB GLN 110 2HB GLN 110 -19.480 -8.984 1.558 879 1HG GLN 110 1HG GLN 110 -17.142 -8.850 2.448 880 2HG GLN 110 2HG GLN 110 -17.653 -7.637 3.605 881 1HE2 GLN 110 1HE2 GLN 110 -16.643 -9.402 4.963 882 2HE2 GLN 110 2HE2 GLN 110 -17.699 -10.606 5.622 883 H ASN 111 H ASN 111 -16.207 -6.519 0.696 884 HA ASN 111 HA ASN 111 -15.716 -5.119 3.074 885 1HB ASN 111 1HB ASN 111 -13.924 -6.326 1.860 886 2HB ASN 111 2HB ASN 111 -14.143 -5.307 0.452 887 1HD2 ASN 111 1HD2 ASN 111 -11.944 -4.751 0.586 888 2HD2 ASN 111 2HD2 ASN 111 -11.359 -3.566 1.705 889 H ASN 112 H ASN 112 -16.453 -3.023 3.447 890 HA ASN 112 HA ASN 112 -17.389 -1.438 1.332 891 1HB ASN 112 1HB ASN 112 -16.671 -0.346 4.080 892 2HB ASN 112 2HB ASN 112 -17.999 0.131 3.039 893 1HD2 ASN 112 1HD2 ASN 112 -19.756 -1.333 2.708 894 2HD2 ASN 112 2HD2 ASN 112 -20.201 -2.484 3.923 895 H GLN 113 H GLN 113 -14.403 -1.623 3.330 896 HA GLN 113 HA GLN 113 -13.290 0.790 2.762 897 1HB GLN 113 1HB GLN 113 -11.978 -1.935 3.138 898 2HB GLN 113 2HB GLN 113 -11.070 -0.436 3.090 899 1HG GLN 113 1HG GLN 113 -13.225 0.009 4.913 900 2HG GLN 113 2HG GLN 113 -12.590 -1.579 5.295 901 1HE2 GLN 113 1HE2 GLN 113 -10.787 -1.762 6.422 902 2HE2 GLN 113 2HE2 GLN 113 -9.697 -0.482 6.838 903 H ALA 114 H ALA 114 -13.730 -2.029 0.674 904 HA ALA 114 HA ALA 114 -11.931 -0.900 -1.325 905 1HB ALA 114 1HB ALA 114 -11.807 -3.320 -0.749 906 2HB ALA 114 2HB ALA 114 -13.495 -3.513 -1.281 907 3HB ALA 114 3HB ALA 114 -12.240 -3.050 -2.455 908 H LYS 115 H LYS 115 -15.342 -2.139 -1.049 909 HA LYS 115 HA LYS 115 -16.346 -1.474 -3.420 910 1HB LYS 115 1HB LYS 115 -17.447 -1.434 -0.650 911 2HB LYS 115 2HB LYS 115 -18.415 -0.679 -1.899 912 1HG LYS 115 1HG LYS 115 -18.011 -2.845 -3.288 913 2HG LYS 115 2HG LYS 115 -17.426 -3.557 -1.797 914 1HD LYS 115 1HD LYS 115 -19.536 -3.836 -0.997 915 2HD LYS 115 2HD LYS 115 -19.958 -2.168 -1.329 916 1HE LYS 115 1HE LYS 115 -20.536 -2.682 -3.639 917 2HE LYS 115 2HE LYS 115 -19.850 -4.291 -3.518 918 1HZ LYS 115 1HZ LYS 115 -22.133 -4.528 -3.239 919 2HZ LYS 115 2HZ LYS 115 -21.538 -4.665 -1.725 920 3HZ LYS 115 3HZ LYS 115 -22.260 -3.278 -2.197 921 H GLU 116 H GLU 116 -16.093 0.879 -0.659 922 HA GLU 116 HA GLU 116 -17.022 3.055 -1.950 923 1HB GLU 116 1HB GLU 116 -15.233 2.536 0.346 924 2HB GLU 116 2HB GLU 116 -14.949 4.096 -0.401 925 1HG GLU 116 1HG GLU 116 -17.790 3.783 -0.268 926 2HG GLU 116 2HG GLU 116 -17.169 3.259 1.284 927 H LEU 117 H LEU 117 -13.479 2.264 -1.613 928 HA LEU 117 HA LEU 117 -12.422 4.142 -3.197 929 1HB LEU 117 1HB LEU 117 -11.463 2.011 -1.943 930 2HB LEU 117 2HB LEU 117 -11.441 1.352 -3.566 931 HG LEU 117 HG LEU 117 -9.996 3.166 -4.330 932 1HD1 LEU 117 1HD1 LEU 117 -10.459 5.091 -3.180 933 2HD1 LEU 117 2HD1 LEU 117 -10.552 4.267 -1.605 934 3HD1 LEU 117 3HD1 LEU 117 -8.967 4.581 -2.353 935 1HD2 LEU 117 1HD2 LEU 117 -8.307 2.548 -2.107 936 2HD2 LEU 117 2HD2 LEU 117 -9.291 1.117 -2.495 937 3HD2 LEU 117 3HD2 LEU 117 -8.289 1.876 -3.754 938 H GLU 118 H GLU 118 -13.518 0.906 -4.447 939 HA GLU 118 HA GLU 118 -13.106 1.225 -7.032 940 1HB GLU 118 1HB GLU 118 -14.322 -0.672 -5.725 941 2HB GLU 118 2HB GLU 118 -15.801 0.205 -6.068 942 1HG GLU 118 1HG GLU 118 -15.020 0.189 -8.560 943 2HG GLU 118 2HG GLU 118 -13.854 -1.019 -8.061 944 H ARG 119 H ARG 119 -15.911 2.614 -5.214 945 HA ARG 119 HA ARG 119 -16.966 3.799 -7.547 946 1HB ARG 119 1HB ARG 119 -18.688 3.549 -6.026 947 2HB ARG 119 2HB ARG 119 -17.623 3.687 -4.641 948 1HG ARG 119 1HG ARG 119 -19.108 5.627 -4.672 949 2HG ARG 119 2HG ARG 119 -17.478 6.169 -5.021 950 1HD ARG 119 1HD ARG 119 -18.456 7.222 -6.810 951 2HD ARG 119 2HD ARG 119 -18.360 5.648 -7.571 952 HE ARG 119 HE ARG 119 -20.754 5.619 -6.092 953 1HH1 ARG 119 1HH1 ARG 119 -19.397 7.503 -8.737 954 2HH1 ARG 119 2HH1 ARG 119 -20.939 7.867 -9.437 955 1HH2 ARG 119 1HH2 ARG 119 -22.788 6.100 -7.017 956 2HH2 ARG 119 2HH2 ARG 119 -22.880 7.064 -8.452 957 H LEU 120 H LEU 120 -14.965 4.857 -4.741 958 HA LEU 120 HA LEU 120 -15.017 7.571 -5.121 959 1HB LEU 120 1HB LEU 120 -12.738 5.813 -4.202 960 2HB LEU 120 2HB LEU 120 -12.799 7.555 -4.018 961 HG LEU 120 HG LEU 120 -14.889 5.715 -2.837 962 1HD1 LEU 120 1HD1 LEU 120 -13.334 6.589 -0.726 963 2HD1 LEU 120 2HD1 LEU 120 -13.320 4.961 -1.443 964 3HD1 LEU 120 3HD1 LEU 120 -12.136 6.178 -1.977 965 1HD2 LEU 120 1HD2 LEU 120 -14.256 8.639 -2.621 966 2HD2 LEU 120 2HD2 LEU 120 -15.823 7.819 -2.830 967 3HD2 LEU 120 3HD2 LEU 120 -15.007 7.790 -1.248 968 H ILE 121 H ILE 121 -12.827 5.121 -6.652 969 HA ILE 121 HA ILE 121 -11.414 6.997 -8.175 970 HB ILE 121 HB ILE 121 -11.890 4.040 -8.554 971 1HG1 ILE 121 1HG1 ILE 121 -9.233 4.897 -7.724 972 2HG1 ILE 121 2HG1 ILE 121 -10.458 5.424 -6.586 973 1HG2 ILE 121 1HG2 ILE 121 -10.339 6.015 -10.151 974 2HG2 ILE 121 2HG2 ILE 121 -9.575 4.441 -9.825 975 3HG2 ILE 121 3HG2 ILE 121 -11.151 4.511 -10.647 976 1HD1 ILE 121 1HD1 ILE 121 -10.622 2.597 -7.624 977 2HD1 ILE 121 2HD1 ILE 121 -9.380 2.988 -6.410 978 3HD1 ILE 121 3HD1 ILE 121 -11.101 3.249 -6.038 979 H ASP 122 H ASP 122 -14.638 5.681 -8.437 980 HA ASP 122 HA ASP 122 -14.910 5.912 -11.200 981 1HB ASP 122 1HB ASP 122 -16.456 4.957 -9.141 982 2HB ASP 122 2HB ASP 122 -17.283 6.468 -9.460 983 H LYS 123 H LYS 123 -15.728 8.071 -8.390 984 HA LYS 123 HA LYS 123 -16.680 10.170 -10.057 985 1HB LYS 123 1HB LYS 123 -16.297 9.677 -7.156 986 2HB LYS 123 2HB LYS 123 -16.228 11.353 -7.658 987 1HG LYS 123 1HG LYS 123 -18.446 11.380 -8.397 988 2HG LYS 123 2HG LYS 123 -18.452 9.673 -8.793 989 1HD LYS 123 1HD LYS 123 -19.746 9.625 -6.861 990 2HD LYS 123 2HD LYS 123 -18.162 9.368 -6.156 991 1HE LYS 123 1HE LYS 123 -18.434 12.193 -6.358 992 2HE LYS 123 2HE LYS 123 -19.993 11.623 -5.798 993 1HZ LYS 123 1HZ LYS 123 -17.593 10.552 -4.558 994 2HZ LYS 123 2HZ LYS 123 -18.092 12.049 -4.138 995 3HZ LYS 123 3HZ LYS 123 -19.080 10.767 -3.916 996 H ALA 124 H ALA 124 -13.556 9.192 -8.666 997 HA ALA 124 HA ALA 124 -12.164 11.538 -8.778 998 1HB ALA 124 1HB ALA 124 -10.206 9.935 -9.374 999 2HB ALA 124 2HB ALA 124 -11.093 9.650 -7.858 1000 3HB ALA 124 3HB ALA 124 -11.430 8.646 -9.289 1001 H MET 125 H MET 125 -12.143 9.044 -11.430 1002 HA MET 125 HA MET 125 -10.902 10.414 -13.316 1003 1HB MET 125 1HB MET 125 -13.507 8.856 -13.774 1004 2HB MET 125 2HB MET 125 -12.231 9.082 -14.952 1005 1HG MET 125 1HG MET 125 -10.967 7.999 -12.627 1006 2HG MET 125 2HG MET 125 -12.436 7.072 -12.853 1007 1HE MET 125 1HE MET 125 -9.891 4.897 -13.834 1008 2HE MET 125 2HE MET 125 -11.486 5.172 -13.094 1009 3HE MET 125 3HE MET 125 -11.372 4.491 -14.735 1010 H LYS 126 H LYS 126 -14.497 10.601 -12.776 1011 HA LYS 126 HA LYS 126 -15.018 12.488 -14.718 1012 1HB LYS 126 1HB LYS 126 -16.404 11.188 -12.587 1013 2HB LYS 126 2HB LYS 126 -16.747 12.902 -12.471 1014 1HG LYS 126 1HG LYS 126 -16.813 11.776 -15.240 1015 2HG LYS 126 2HG LYS 126 -18.063 11.182 -14.164 1016 1HD LYS 126 1HD LYS 126 -17.906 14.009 -13.731 1017 2HD LYS 126 2HD LYS 126 -17.865 13.773 -15.467 1018 1HE LYS 126 1HE LYS 126 -19.963 12.612 -15.482 1019 2HE LYS 126 2HE LYS 126 -19.909 12.310 -13.757 1020 1HZ LYS 126 1HZ LYS 126 -19.773 15.067 -14.283 1021 2HZ LYS 126 2HZ LYS 126 -21.090 14.424 -15.004 1022 3HZ LYS 126 3HZ LYS 126 -20.868 14.243 -13.396 1023 H LYS 127 H LYS 127 -13.978 12.898 -11.287 1024 HA LYS 127 HA LYS 127 -14.197 15.681 -11.256 1025 1HB LYS 127 1HB LYS 127 -12.647 13.663 -9.642 1026 2HB LYS 127 2HB LYS 127 -12.427 15.379 -9.369 1027 1HG LYS 127 1HG LYS 127 -14.536 15.655 -8.469 1028 2HG LYS 127 2HG LYS 127 -15.273 14.492 -9.553 1029 1HD LYS 127 1HD LYS 127 -14.751 12.664 -8.185 1030 2HD LYS 127 2HD LYS 127 -13.337 13.438 -7.498 1031 1HE LYS 127 1HE LYS 127 -15.157 15.135 -6.493 1032 2HE LYS 127 2HE LYS 127 -16.244 13.784 -6.747 1033 1HZ LYS 127 1HZ LYS 127 -13.948 12.783 -5.590 1034 2HZ LYS 127 2HZ LYS 127 -14.354 14.114 -4.734 1035 3HZ LYS 127 3HZ LYS 127 -15.433 12.903 -4.919 1036 H SER 128 H SER 128 -11.166 13.687 -11.537 1037 HA SER 128 HA SER 128 -9.486 15.684 -12.144 1038 1HB SER 128 1HB SER 128 -8.915 13.248 -11.814 1039 2HB SER 128 2HB SER 128 -9.466 12.925 -13.445 1040 HG SER 128 HG SER 128 -7.174 14.418 -12.574 1041 H GLY 129 H GLY 129 -9.000 16.984 -13.927 1042 1HA GLY 129 1HA GLY 129 -8.985 16.963 -16.427 1043 2HA GLY 129 2HA GLY 129 -10.687 16.562 -16.321 1044 HA PRO 130 HA PRO 130 -10.262 21.122 -16.303 1045 1HB PRO 130 1HB PRO 130 -11.496 21.674 -18.679 1046 2HB PRO 130 2HB PRO 130 -9.756 21.545 -18.510 1047 1HG PRO 130 1HG PRO 130 -11.649 19.616 -19.707 1048 2HG PRO 130 2HG PRO 130 -9.911 19.713 -19.902 1049 1HD PRO 130 1HD PRO 130 -11.353 17.844 -18.274 1050 2HD PRO 130 2HD PRO 130 -9.612 18.017 -18.380 1051 H SER 131 H SER 131 -11.619 20.802 -14.438 1052 HA SER 131 HA SER 131 -14.320 20.309 -14.795 1053 1HB SER 131 1HB SER 131 -14.544 20.806 -12.481 1054 2HB SER 131 2HB SER 131 -12.915 20.182 -12.644 1055 HG SER 131 HG SER 131 -13.659 22.982 -12.536 1056 H SER 132 H SER 132 -15.999 21.613 -15.468 1057 HA SER 132 HA SER 132 -16.985 23.343 -16.358 1058 1HB SER 132 1HB SER 132 -17.047 23.825 -13.837 1059 2HB SER 132 2HB SER 132 -15.741 24.964 -14.098 1060 HG SER 132 HG SER 132 -17.089 26.373 -15.040 1061 H GLY 133 H GLY 133 -15.601 23.346 -18.294 1062 1HA GLY 133 1HA GLY 133 -14.047 25.827 -18.495 1063 2HA GLY 133 2HA GLY 133 -13.262 24.313 -18.898 Start of MODEL 14 1 H GLY 1 H GLY 1 -28.280 -0.239 3.122 2 1HA GLY 1 1HA GLY 1 -26.911 1.278 4.148 3 2HA GLY 1 2HA GLY 1 -25.822 -0.005 4.637 4 H SER 2 H SER 2 -26.543 2.435 2.234 5 HA SER 2 HA SER 2 -23.998 1.835 1.006 6 1HB SER 2 1HB SER 2 -26.616 1.518 -0.302 7 2HB SER 2 2HB SER 2 -25.583 2.632 -1.173 8 HG SER 2 HG SER 2 -23.911 0.724 -0.674 9 H SER 3 H SER 3 -23.379 3.745 2.293 10 HA SER 3 HA SER 3 -23.905 6.136 0.818 11 1HB SER 3 1HB SER 3 -25.383 5.589 3.218 12 2HB SER 3 2HB SER 3 -24.231 6.853 3.602 13 HG SER 3 HG SER 3 -25.029 7.982 1.623 14 H GLY 4 H GLY 4 -22.032 7.367 0.766 15 1HA GLY 4 1HA GLY 4 -19.675 6.370 1.969 16 2HA GLY 4 2HA GLY 4 -19.867 7.884 1.107 17 H SER 5 H SER 5 -19.394 6.410 4.177 18 HA SER 5 HA SER 5 -19.292 8.979 5.386 19 1HB SER 5 1HB SER 5 -21.408 6.961 6.213 20 2HB SER 5 2HB SER 5 -20.799 8.150 7.347 21 HG SER 5 HG SER 5 -21.355 9.760 5.529 22 H SER 6 H SER 6 -17.208 8.733 6.149 23 HA SER 6 HA SER 6 -15.478 7.918 7.175 24 1HB SER 6 1HB SER 6 -17.470 6.399 8.915 25 2HB SER 6 2HB SER 6 -15.814 6.782 9.341 26 HG SER 6 HG SER 6 -17.888 8.732 8.795 27 H GLY 7 H GLY 7 -14.452 5.630 8.093 28 1HA GLY 7 1HA GLY 7 -14.220 3.342 7.770 29 2HA GLY 7 2HA GLY 7 -15.384 3.388 6.460 30 H MET 8 H MET 8 -14.716 4.498 4.385 31 HA MET 8 HA MET 8 -11.912 3.909 3.937 32 1HB MET 8 1HB MET 8 -13.702 2.845 2.494 33 2HB MET 8 2HB MET 8 -14.220 4.438 1.982 34 1HG MET 8 1HG MET 8 -12.761 3.577 0.248 35 2HG MET 8 2HG MET 8 -11.876 4.844 1.075 36 1HE MET 8 1HE MET 8 -9.935 4.321 0.243 37 2HE MET 8 2HE MET 8 -9.027 4.000 1.740 38 3HE MET 8 3HE MET 8 -8.960 2.840 0.392 39 H GLU 9 H GLU 9 -14.406 6.476 3.409 40 HA GLU 9 HA GLU 9 -12.723 8.257 2.137 41 1HB GLU 9 1HB GLU 9 -15.398 8.185 2.860 42 2HB GLU 9 2HB GLU 9 -14.789 9.465 3.891 43 1HG GLU 9 1HG GLU 9 -13.783 10.592 1.890 44 2HG GLU 9 2HG GLU 9 -14.406 9.316 0.862 45 H ALA 10 H ALA 10 -12.677 7.101 5.371 46 HA ALA 10 HA ALA 10 -11.501 9.533 6.440 47 1HB ALA 10 1HB ALA 10 -11.808 8.540 8.546 48 2HB ALA 10 2HB ALA 10 -13.199 7.935 7.614 49 3HB ALA 10 3HB ALA 10 -11.783 6.890 7.881 50 H VAL 11 H VAL 11 -10.657 6.166 5.495 51 HA VAL 11 HA VAL 11 -8.047 6.200 6.486 52 HB VAL 11 HB VAL 11 -9.603 4.643 4.475 53 1HG1 VAL 11 1HG1 VAL 11 -7.415 4.987 3.381 54 2HG1 VAL 11 2HG1 VAL 11 -6.601 4.343 4.826 55 3HG1 VAL 11 3HG1 VAL 11 -7.665 3.291 3.862 56 1HG2 VAL 11 1HG2 VAL 11 -9.488 2.946 6.012 57 2HG2 VAL 11 2HG2 VAL 11 -7.888 3.444 6.611 58 3HG2 VAL 11 3HG2 VAL 11 -9.342 4.341 7.107 59 H LEU 12 H LEU 12 -9.414 7.070 3.245 60 HA LEU 12 HA LEU 12 -6.895 7.747 2.165 61 1HB LEU 12 1HB LEU 12 -9.747 7.969 1.385 62 2HB LEU 12 2HB LEU 12 -8.639 9.087 0.614 63 HG LEU 12 HG LEU 12 -8.313 6.073 0.620 64 1HD1 LEU 12 1HD1 LEU 12 -9.150 7.746 -1.746 65 2HD1 LEU 12 2HD1 LEU 12 -9.230 5.981 -1.533 66 3HD1 LEU 12 3HD1 LEU 12 -10.337 7.037 -0.623 67 1HD2 LEU 12 1HD2 LEU 12 -6.747 8.319 -0.637 68 2HD2 LEU 12 2HD2 LEU 12 -6.169 6.947 0.339 69 3HD2 LEU 12 3HD2 LEU 12 -6.738 6.677 -1.326 70 H ASN 13 H ASN 13 -9.446 9.530 3.943 71 HA ASN 13 HA ASN 13 -8.489 12.062 3.427 72 1HB ASN 13 1HB ASN 13 -10.318 10.762 5.366 73 2HB ASN 13 2HB ASN 13 -9.526 12.171 6.043 74 1HD2 ASN 13 1HD2 ASN 13 -10.685 11.301 2.786 75 2HD2 ASN 13 2HD2 ASN 13 -11.697 12.684 2.536 76 H GLU 14 H GLU 14 -8.386 10.559 6.728 77 HA GLU 14 HA GLU 14 -6.445 12.009 7.792 78 1HB GLU 14 1HB GLU 14 -7.729 9.551 8.391 79 2HB GLU 14 2HB GLU 14 -6.016 9.224 8.558 80 1HG GLU 14 1HG GLU 14 -6.983 11.801 9.747 81 2HG GLU 14 2HG GLU 14 -7.530 10.337 10.539 82 H LEU 15 H LEU 15 -4.093 11.577 8.270 83 HA LEU 15 HA LEU 15 -2.812 10.217 6.003 84 1HB LEU 15 1HB LEU 15 -1.851 12.747 7.342 85 2HB LEU 15 2HB LEU 15 -1.109 11.925 5.983 86 HG LEU 15 HG LEU 15 -3.880 13.145 5.902 87 1HD1 LEU 15 1HD1 LEU 15 -2.686 15.071 6.104 88 2HD1 LEU 15 2HD1 LEU 15 -1.187 14.348 5.473 89 3HD1 LEU 15 3HD1 LEU 15 -2.493 14.809 4.355 90 1HD2 LEU 15 1HD2 LEU 15 -3.367 13.047 3.387 91 2HD2 LEU 15 2HD2 LEU 15 -2.086 11.892 3.829 92 3HD2 LEU 15 3HD2 LEU 15 -3.785 11.529 4.217 93 H VAL 16 H VAL 16 -0.449 9.632 6.551 94 HA VAL 16 HA VAL 16 -0.537 8.218 9.052 95 HB VAL 16 HB VAL 16 0.389 7.565 6.655 96 1HG1 VAL 16 1HG1 VAL 16 2.683 7.888 6.302 97 2HG1 VAL 16 2HG1 VAL 16 2.115 9.475 6.877 98 3HG1 VAL 16 3HG1 VAL 16 2.972 8.380 7.988 99 1HG2 VAL 16 1HG2 VAL 16 0.196 6.091 8.635 100 2HG2 VAL 16 2HG2 VAL 16 1.683 5.789 7.704 101 3HG2 VAL 16 3HG2 VAL 16 1.757 6.709 9.227 102 H SER 17 H SER 17 0.834 8.530 10.848 103 HA SER 17 HA SER 17 1.792 11.232 11.030 104 1HB SER 17 1HB SER 17 1.964 9.147 13.226 105 2HB SER 17 2HB SER 17 1.845 10.887 13.389 106 HG SER 17 HG SER 17 -0.214 9.034 12.574 107 H VAL 18 H VAL 18 3.957 11.830 11.016 108 HA VAL 18 HA VAL 18 5.870 10.168 9.979 109 HB VAL 18 HB VAL 18 5.819 12.689 10.196 110 1HG1 VAL 18 1HG1 VAL 18 6.888 13.698 12.142 111 2HG1 VAL 18 2HG1 VAL 18 5.449 12.777 12.640 112 3HG1 VAL 18 3HG1 VAL 18 7.073 12.098 12.899 113 1HG2 VAL 18 1HG2 VAL 18 8.351 12.834 10.395 114 2HG2 VAL 18 2HG2 VAL 18 8.330 11.090 10.754 115 3HG2 VAL 18 3HG2 VAL 18 7.722 11.684 9.191 116 H GLU 19 H GLU 19 5.284 11.019 13.458 117 HA GLU 19 HA GLU 19 7.269 9.793 14.669 118 1HB GLU 19 1HB GLU 19 4.923 10.804 15.517 119 2HB GLU 19 2HB GLU 19 4.534 9.107 15.718 120 1HG GLU 19 1HG GLU 19 7.143 9.355 16.780 121 2HG GLU 19 2HG GLU 19 6.318 10.804 17.318 122 H ASP 20 H ASP 20 4.341 8.095 13.372 123 HA ASP 20 HA ASP 20 5.258 5.572 14.189 124 1HB ASP 20 1HB ASP 20 3.034 6.701 12.564 125 2HB ASP 20 2HB ASP 20 3.514 5.086 12.081 126 H LEU 21 H LEU 21 5.021 7.294 10.984 127 HA LEU 21 HA LEU 21 6.027 5.452 9.308 128 1HB LEU 21 1HB LEU 21 5.252 7.862 8.915 129 2HB LEU 21 2HB LEU 21 6.915 8.327 9.219 130 HG LEU 21 HG LEU 21 6.332 8.123 6.810 131 1HD1 LEU 21 1HD1 LEU 21 8.664 7.849 7.744 132 2HD1 LEU 21 2HD1 LEU 21 8.431 6.091 7.591 133 3HD1 LEU 21 3HD1 LEU 21 8.376 7.125 6.143 134 1HD2 LEU 21 1HD2 LEU 21 4.785 6.159 7.140 135 2HD2 LEU 21 2HD2 LEU 21 5.906 6.036 5.763 136 3HD2 LEU 21 3HD2 LEU 21 6.235 5.135 7.263 137 H LYS 22 H LYS 22 8.005 7.731 11.327 138 HA LYS 22 HA LYS 22 10.464 6.693 10.518 139 1HB LYS 22 1HB LYS 22 9.554 8.261 12.934 140 2HB LYS 22 2HB LYS 22 11.221 7.762 12.735 141 1HG LYS 22 1HG LYS 22 10.167 8.939 10.258 142 2HG LYS 22 2HG LYS 22 9.992 10.045 11.606 143 1HD LYS 22 1HD LYS 22 12.463 9.549 12.170 144 2HD LYS 22 2HD LYS 22 12.561 8.726 10.626 145 1HE LYS 22 1HE LYS 22 11.297 11.349 10.303 146 2HE LYS 22 2HE LYS 22 12.848 11.512 11.102 147 1HZ LYS 22 1HZ LYS 22 13.173 9.690 9.059 148 2HZ LYS 22 2HZ LYS 22 12.339 10.943 8.425 149 3HZ LYS 22 3HZ LYS 22 13.780 11.204 9.149 150 H ASN 23 H ASN 23 8.207 5.798 13.175 151 HA ASN 23 HA ASN 23 9.837 4.101 14.531 152 1HB ASN 23 1HB ASN 23 7.153 4.802 14.628 153 2HB ASN 23 2HB ASN 23 7.037 3.124 14.131 154 1HD2 ASN 23 1HD2 ASN 23 5.956 3.528 16.418 155 2HD2 ASN 23 2HD2 ASN 23 6.918 3.031 17.770 156 H PHE 24 H PHE 24 7.620 3.447 11.720 157 HA PHE 24 HA PHE 24 8.355 0.715 11.537 158 1HB PHE 24 1HB PHE 24 6.919 2.816 9.838 159 2HB PHE 24 2HB PHE 24 7.218 1.225 9.166 160 HD1 PHE 24 1HD PHE 24 5.993 -0.704 9.942 161 HD2 PHE 24 2HD PHE 24 5.369 3.099 11.720 162 HE1 PHE 24 1HE PHE 24 3.908 -1.561 11.046 163 HE2 PHE 24 2HE PHE 24 3.284 2.241 12.824 164 HZ PHE 24 HZ PHE 24 2.579 -0.079 12.473 165 H GLU 25 H GLU 25 9.174 3.697 9.635 166 HA GLU 25 HA GLU 25 10.682 2.539 7.718 167 1HB GLU 25 1HB GLU 25 10.023 5.047 8.185 168 2HB GLU 25 2HB GLU 25 11.568 5.133 9.007 169 1HG GLU 25 1HG GLU 25 12.736 4.370 6.955 170 2HG GLU 25 2HG GLU 25 11.204 4.180 6.127 171 H ARG 26 H ARG 26 11.465 3.078 11.141 172 HA ARG 26 HA ARG 26 14.226 2.722 10.836 173 1HB ARG 26 1HB ARG 26 13.868 3.678 12.900 174 2HB ARG 26 2HB ARG 26 12.271 2.973 13.057 175 1HG ARG 26 1HG ARG 26 13.125 0.908 13.902 176 2HG ARG 26 2HG ARG 26 14.743 1.226 13.306 177 1HD ARG 26 1HD ARG 26 15.274 2.654 15.077 178 2HD ARG 26 2HD ARG 26 13.620 3.196 15.283 179 HE ARG 26 HE ARG 26 13.945 0.367 15.926 180 1HH1 ARG 26 1HH1 ARG 26 14.274 3.635 17.189 181 2HH1 ARG 26 2HH1 ARG 26 14.113 3.149 18.844 182 1HH2 ARG 26 1HH2 ARG 26 13.732 -0.275 18.109 183 2HH2 ARG 26 2HH2 ARG 26 13.804 0.909 19.371 184 H LYS 27 H LYS 27 11.438 0.565 11.591 185 HA LYS 27 HA LYS 27 12.937 -1.699 12.251 186 1HB LYS 27 1HB LYS 27 10.242 -0.972 12.142 187 2HB LYS 27 2HB LYS 27 10.377 -2.276 10.979 188 1HG LYS 27 1HG LYS 27 10.300 -3.709 12.740 189 2HG LYS 27 2HG LYS 27 11.931 -3.193 13.121 190 1HD LYS 27 1HD LYS 27 10.247 -1.152 14.161 191 2HD LYS 27 2HD LYS 27 9.444 -2.655 14.565 192 1HE LYS 27 1HE LYS 27 12.188 -3.137 15.104 193 2HE LYS 27 2HE LYS 27 11.897 -1.511 15.690 194 1HZ LYS 27 1HZ LYS 27 11.289 -2.850 17.434 195 2HZ LYS 27 2HZ LYS 27 9.842 -2.546 16.743 196 3HZ LYS 27 3HZ LYS 27 10.577 -3.984 16.499 197 H PHE 28 H PHE 28 11.612 -0.485 9.117 198 HA PHE 28 HA PHE 28 12.284 -2.663 7.571 199 1HB PHE 28 1HB PHE 28 10.974 -0.428 7.102 200 2HB PHE 28 2HB PHE 28 12.541 0.299 6.808 201 HD1 PHE 28 1HD PHE 28 13.648 0.011 4.737 202 HD2 PHE 28 2HD PHE 28 10.214 -2.320 5.621 203 HE1 PHE 28 1HE PHE 28 13.562 -0.767 2.352 204 HE2 PHE 28 2HE PHE 28 10.128 -3.097 3.236 205 HZ PHE 28 HZ PHE 28 11.802 -2.311 1.630 206 H GLN 29 H GLN 29 14.196 0.400 8.047 207 HA GLN 29 HA GLN 29 16.359 -0.368 6.584 208 1HB GLN 29 1HB GLN 29 16.192 1.405 9.055 209 2HB GLN 29 2HB GLN 29 17.632 1.279 8.065 210 1HG GLN 29 1HG GLN 29 15.914 1.799 6.073 211 2HG GLN 29 2HG GLN 29 14.949 2.480 7.369 212 1HE2 GLN 29 1HE2 GLN 29 15.123 4.591 7.072 213 2HE2 GLN 29 2HE2 GLN 29 16.594 5.506 7.034 214 H SER 30 H SER 30 15.916 -0.672 10.184 215 HA SER 30 HA SER 30 18.270 -1.918 10.709 216 1HB SER 30 1HB SER 30 16.944 -1.205 12.551 217 2HB SER 30 2HB SER 30 15.530 -2.075 11.993 218 HG SER 30 HG SER 30 16.249 -3.923 12.876 219 H GLU 31 H GLU 31 15.051 -3.598 10.367 220 HA GLU 31 HA GLU 31 15.914 -6.127 10.377 221 1HB GLU 31 1HB GLU 31 13.710 -4.864 8.698 222 2HB GLU 31 2HB GLU 31 13.924 -6.598 8.823 223 1HG GLU 31 1HG GLU 31 13.914 -5.180 11.441 224 2HG GLU 31 2HG GLU 31 12.405 -5.065 10.558 225 H GLN 32 H GLN 32 16.323 -3.730 7.795 226 HA GLN 32 HA GLN 32 16.870 -5.528 5.742 227 1HB GLN 32 1HB GLN 32 16.464 -2.872 5.831 228 2HB GLN 32 2HB GLN 32 18.216 -2.836 5.822 229 1HG GLN 32 1HG GLN 32 18.283 -4.168 3.748 230 2HG GLN 32 2HG GLN 32 16.545 -4.380 3.785 231 1HE2 GLN 32 1HE2 GLN 32 15.240 -2.889 2.943 232 2HE2 GLN 32 2HE2 GLN 32 15.732 -1.373 2.267 233 H ALA 33 H ALA 33 19.160 -3.497 7.721 234 HA ALA 33 HA ALA 33 21.428 -4.906 6.795 235 1HB ALA 33 1HB ALA 33 22.101 -3.657 9.204 236 2HB ALA 33 2HB ALA 33 22.224 -2.947 7.576 237 3HB ALA 33 3HB ALA 33 20.769 -2.666 8.561 238 H ALA 34 H ALA 34 18.897 -5.775 8.901 239 HA ALA 34 HA ALA 34 20.431 -7.216 10.818 240 1HB ALA 34 1HB ALA 34 17.879 -6.277 10.691 241 2HB ALA 34 2HB ALA 34 17.609 -7.985 10.268 242 3HB ALA 34 3HB ALA 34 18.403 -7.563 11.804 243 H GLY 35 H GLY 35 19.108 -7.822 7.579 244 1HA GLY 35 1HA GLY 35 20.686 -9.838 6.811 245 2HA GLY 35 2HA GLY 35 19.503 -10.693 7.781 246 H SER 36 H SER 36 17.235 -8.889 7.197 247 HA SER 36 HA SER 36 16.828 -8.415 4.563 248 1HB SER 36 1HB SER 36 16.543 -11.298 5.251 249 2HB SER 36 2HB SER 36 15.196 -10.624 4.356 250 HG SER 36 HG SER 36 16.566 -10.054 2.651 251 H VAL 37 H VAL 37 15.003 -7.132 4.549 252 HA VAL 37 HA VAL 37 13.495 -6.826 6.888 253 HB VAL 37 HB VAL 37 13.132 -5.910 4.034 254 1HG1 VAL 37 1HG1 VAL 37 11.125 -5.999 6.015 255 2HG1 VAL 37 2HG1 VAL 37 11.679 -4.308 5.953 256 3HG1 VAL 37 3HG1 VAL 37 11.096 -5.107 4.474 257 1HG2 VAL 37 1HG2 VAL 37 14.696 -5.004 6.306 258 2HG2 VAL 37 2HG2 VAL 37 14.729 -4.460 4.612 259 3HG2 VAL 37 3HG2 VAL 37 13.571 -3.740 5.756 260 H SER 38 H SER 38 11.651 -7.791 7.626 261 HA SER 38 HA SER 38 10.775 -10.084 6.196 262 1HB SER 38 1HB SER 38 9.708 -8.803 8.752 263 2HB SER 38 2HB SER 38 9.247 -10.384 8.153 264 HG SER 38 HG SER 38 11.003 -11.208 9.043 265 H LYS 39 H LYS 39 8.586 -10.462 5.401 266 HA LYS 39 HA LYS 39 7.527 -8.478 3.874 267 1HB LYS 39 1HB LYS 39 5.438 -9.911 3.881 268 2HB LYS 39 2HB LYS 39 6.926 -10.710 3.416 269 1HG LYS 39 1HG LYS 39 6.904 -11.068 6.183 270 2HG LYS 39 2HG LYS 39 5.201 -11.172 5.782 271 1HD LYS 39 1HD LYS 39 7.154 -12.688 4.050 272 2HD LYS 39 2HD LYS 39 6.813 -13.320 5.650 273 1HE LYS 39 1HE LYS 39 4.662 -13.930 5.099 274 2HE LYS 39 2HE LYS 39 4.385 -12.488 4.144 275 1HZ LYS 39 1HZ LYS 39 6.183 -13.756 2.668 276 2HZ LYS 39 2HZ LYS 39 5.405 -15.035 3.323 277 3HZ LYS 39 3HZ LYS 39 4.570 -13.921 2.468 278 H SER 40 H SER 40 6.520 -9.453 7.217 279 HA SER 40 HA SER 40 4.406 -7.913 7.596 280 1HB SER 40 1HB SER 40 6.732 -8.155 9.556 281 2HB SER 40 2HB SER 40 5.087 -7.729 9.983 282 HG SER 40 HG SER 40 4.465 -9.864 8.994 283 H THR 41 H THR 41 7.789 -6.754 8.317 284 HA THR 41 HA THR 41 7.118 -4.102 8.749 285 HB THR 41 HB THR 41 9.656 -5.466 7.716 286 HG1 THR 41 1HG THR 41 8.864 -6.034 9.865 287 1HG2 THR 41 1HG2 THR 41 9.030 -2.602 8.266 288 2HG2 THR 41 2HG2 THR 41 10.428 -3.236 9.168 289 3HG2 THR 41 3HG2 THR 41 10.410 -3.307 7.389 290 H GLN 42 H GLN 42 8.097 -5.728 5.669 291 HA GLN 42 HA GLN 42 8.195 -3.536 4.098 292 1HB GLN 42 1HB GLN 42 8.637 -6.023 3.537 293 2HB GLN 42 2HB GLN 42 6.924 -6.147 3.191 294 1HG GLN 42 1HG GLN 42 7.049 -4.619 1.367 295 2HG GLN 42 2HG GLN 42 8.570 -3.941 1.912 296 1HE2 GLN 42 1HE2 GLN 42 7.731 -5.151 -0.649 297 2HE2 GLN 42 2HE2 GLN 42 8.867 -6.411 -1.001 298 H PHE 43 H PHE 43 5.266 -5.688 4.382 299 HA PHE 43 HA PHE 43 3.546 -3.998 3.055 300 1HB PHE 43 1HB PHE 43 2.815 -6.229 3.517 301 2HB PHE 43 2HB PHE 43 3.402 -6.178 5.167 302 HD1 PHE 43 1HD PHE 43 0.613 -5.408 2.951 303 HD2 PHE 43 2HD PHE 43 2.056 -5.145 6.933 304 HE1 PHE 43 1HE PHE 43 -1.712 -4.917 3.762 305 HE2 PHE 43 2HE PHE 43 -0.268 -4.655 7.744 306 HZ PHE 43 HZ PHE 43 -2.124 -4.546 6.148 307 H GLU 44 H GLU 44 4.596 -4.019 6.483 308 HA GLU 44 HA GLU 44 2.607 -2.312 7.405 309 1HB GLU 44 1HB GLU 44 5.338 -3.149 8.377 310 2HB GLU 44 2HB GLU 44 4.530 -1.823 9.188 311 1HG GLU 44 1HG GLU 44 2.524 -3.273 9.563 312 2HG GLU 44 2HG GLU 44 3.332 -4.599 8.751 313 H TYR 45 H TYR 45 6.129 -1.479 7.032 314 HA TYR 45 HA TYR 45 5.867 1.227 7.136 315 1HB TYR 45 1HB TYR 45 8.010 -0.037 7.080 316 2HB TYR 45 2HB TYR 45 7.642 -0.672 5.488 317 HD1 TYR 45 1HD TYR 45 7.725 2.774 6.997 318 HD2 TYR 45 2HD TYR 45 9.033 0.184 3.852 319 HE1 TYR 45 1HE TYR 45 8.996 4.700 5.928 320 HE2 TYR 45 2HE TYR 45 10.298 2.119 2.795 321 HH TYR 45 HH TYR 45 9.979 5.383 4.052 322 H ALA 46 H ALA 46 5.572 -0.907 4.228 323 HA ALA 46 HA ALA 46 5.381 1.081 2.326 324 1HB ALA 46 1HB ALA 46 3.861 -1.554 2.353 325 2HB ALA 46 2HB ALA 46 4.414 -0.633 0.934 326 3HB ALA 46 3HB ALA 46 5.601 -1.421 2.001 327 H TRP 47 H TRP 47 2.678 -0.624 4.069 328 HA TRP 47 HA TRP 47 0.628 0.890 3.017 329 1HB TRP 47 1HB TRP 47 0.181 -1.135 4.182 330 2HB TRP 47 2HB TRP 47 0.925 -0.544 5.654 331 HD1 TRP 47 HD TRP 47 -0.971 -0.093 7.385 332 HE1 TRP 47 1HE TRP 47 -3.390 0.959 7.450 333 HE3 TRP 47 3HE TRP 47 -1.265 0.853 2.397 334 HZ2 TRP 47 2HZ TRP 47 -5.116 2.044 5.453 335 HZ3 TRP 47 3HZ TRP 47 -3.352 1.910 1.537 336 HH2 TRP 47 HH TRP 47 -5.237 2.502 2.976 337 H CYS 48 H CYS 48 2.974 1.531 5.639 338 HA CYS 48 HA CYS 48 1.631 3.717 6.749 339 1HB CYS 48 1HB CYS 48 4.327 2.514 6.940 340 2HB CYS 48 2HB CYS 48 4.273 4.236 7.267 341 HG CYS 48 HG CYS 48 3.395 1.743 8.974 342 H LEU 49 H LEU 49 4.017 3.300 4.077 343 HA LEU 49 HA LEU 49 4.524 6.002 3.630 344 1HB LEU 49 1HB LEU 49 4.838 3.456 2.147 345 2HB LEU 49 2HB LEU 49 4.855 4.922 1.188 346 HG LEU 49 HG LEU 49 6.657 4.466 3.578 347 1HD1 LEU 49 1HD1 LEU 49 8.183 3.397 2.332 348 2HD1 LEU 49 2HD1 LEU 49 6.802 3.013 1.276 349 3HD1 LEU 49 3HD1 LEU 49 7.860 4.392 0.892 350 1HD2 LEU 49 1HD2 LEU 49 7.912 6.355 2.773 351 2HD2 LEU 49 2HD2 LEU 49 6.873 6.489 1.334 352 3HD2 LEU 49 3HD2 LEU 49 6.205 6.829 2.949 353 H VAL 50 H VAL 50 2.327 3.810 1.730 354 HA VAL 50 HA VAL 50 1.131 5.759 0.238 355 HB VAL 50 HB VAL 50 -0.801 4.151 0.149 356 1HG1 VAL 50 1HG1 VAL 50 1.114 4.045 -1.404 357 2HG1 VAL 50 2HG1 VAL 50 1.964 2.964 -0.273 358 3HG1 VAL 50 3HG1 VAL 50 0.454 2.430 -1.049 359 1HG2 VAL 50 1HG2 VAL 50 0.812 2.869 2.331 360 2HG2 VAL 50 2HG2 VAL 50 -0.951 3.041 2.164 361 3HG2 VAL 50 3HG2 VAL 50 -0.078 1.834 1.189 362 H ARG 51 H ARG 51 0.483 4.763 3.621 363 HA ARG 51 HA ARG 51 -1.900 6.104 3.907 364 1HB ARG 51 1HB ARG 51 0.304 5.285 5.831 365 2HB ARG 51 2HB ARG 51 -1.062 6.210 6.424 366 1HG ARG 51 1HG ARG 51 -1.662 3.807 4.710 367 2HG ARG 51 2HG ARG 51 -1.080 3.508 6.337 368 1HD ARG 51 1HD ARG 51 -3.343 5.483 5.872 369 2HD ARG 51 2HD ARG 51 -3.676 3.763 5.924 370 HE ARG 51 HE ARG 51 -2.078 4.340 8.190 371 1HH1 ARG 51 1HH1 ARG 51 -5.258 5.195 6.950 372 2HH1 ARG 51 2HH1 ARG 51 -5.945 5.439 8.521 373 1HH2 ARG 51 1HH2 ARG 51 -2.984 4.663 10.263 374 2HH2 ARG 51 2HH2 ARG 51 -4.644 5.135 10.418 375 H SER 52 H SER 52 1.406 7.254 3.657 376 HA SER 52 HA SER 52 1.188 9.595 5.112 377 1HB SER 52 1HB SER 52 3.317 8.585 4.243 378 2HB SER 52 2HB SER 52 2.864 9.062 2.618 379 HG SER 52 HG SER 52 4.205 10.524 4.387 380 H LYS 53 H LYS 53 1.818 11.746 3.421 381 HA LYS 53 HA LYS 53 -0.635 11.958 1.817 382 1HB LYS 53 1HB LYS 53 -0.643 14.338 2.359 383 2HB LYS 53 2HB LYS 53 -0.710 13.361 3.811 384 1HG LYS 53 1HG LYS 53 1.064 14.562 4.567 385 2HG LYS 53 2HG LYS 53 2.043 13.682 3.410 386 1HD LYS 53 1HD LYS 53 2.524 15.790 2.626 387 2HD LYS 53 2HD LYS 53 1.027 15.577 1.741 388 1HE LYS 53 1HE LYS 53 0.428 16.523 4.430 389 2HE LYS 53 2HE LYS 53 1.625 17.573 3.698 390 1HZ LYS 53 1HZ LYS 53 0.196 18.180 2.071 391 2HZ LYS 53 2HZ LYS 53 -0.647 16.782 2.081 392 3HZ LYS 53 3HZ LYS 53 -0.895 17.893 3.252 393 H TYR 54 H TYR 54 2.733 11.633 1.727 394 HA TYR 54 HA TYR 54 3.213 13.424 -0.465 395 1HB TYR 54 1HB TYR 54 4.609 11.268 1.172 396 2HB TYR 54 2HB TYR 54 5.333 11.695 -0.366 397 HD1 TYR 54 1HD TYR 54 3.633 13.920 2.119 398 HD2 TYR 54 2HD TYR 54 7.301 12.829 0.206 399 HE1 TYR 54 1HE TYR 54 4.799 15.898 3.210 400 HE2 TYR 54 2HE TYR 54 8.456 14.811 1.304 401 HH TYR 54 HH TYR 54 7.478 16.283 3.844 402 H ASN 55 H ASN 55 3.409 12.933 -2.654 403 HA ASN 55 HA ASN 55 1.919 10.732 -3.524 404 1HB ASN 55 1HB ASN 55 3.672 12.814 -4.887 405 2HB ASN 55 2HB ASN 55 3.021 11.483 -5.822 406 1HD2 ASN 55 1HD2 ASN 55 2.534 14.476 -5.639 407 2HD2 ASN 55 2HD2 ASN 55 0.813 14.655 -5.550 408 H GLU 56 H GLU 56 5.439 11.594 -3.439 409 HA GLU 56 HA GLU 56 6.370 9.425 -4.848 410 1HB GLU 56 1HB GLU 56 7.652 11.079 -2.634 411 2HB GLU 56 2HB GLU 56 8.536 9.883 -3.561 412 1HG GLU 56 1HG GLU 56 7.406 11.262 -5.621 413 2HG GLU 56 2HG GLU 56 7.458 12.546 -4.429 414 H ASP 57 H ASP 57 6.075 9.876 -1.249 415 HA ASP 57 HA ASP 57 7.035 7.516 -0.435 416 1HB ASP 57 1HB ASP 57 4.623 9.087 0.568 417 2HB ASP 57 2HB ASP 57 5.247 7.698 1.436 418 H ILE 58 H ILE 58 3.729 8.293 -1.685 419 HA ILE 58 HA ILE 58 2.527 5.848 -1.167 420 HB ILE 58 HB ILE 58 2.055 7.983 -3.235 421 1HG1 ILE 58 1HG1 ILE 58 0.352 7.234 -0.854 422 2HG1 ILE 58 2HG1 ILE 58 1.690 8.356 -0.719 423 1HG2 ILE 58 1HG2 ILE 58 1.316 5.681 -4.016 424 2HG2 ILE 58 2HG2 ILE 58 0.154 5.705 -2.668 425 3HG2 ILE 58 3HG2 ILE 58 0.061 6.941 -3.945 426 1HD1 ILE 58 1HD1 ILE 58 0.090 9.051 -3.045 427 2HD1 ILE 58 2HD1 ILE 58 -0.951 8.922 -1.606 428 3HD1 ILE 58 3HD1 ILE 58 0.445 10.028 -1.599 429 H ARG 59 H ARG 59 3.659 6.962 -4.436 430 HA ARG 59 HA ARG 59 3.506 4.713 -5.760 431 1HB ARG 59 1HB ARG 59 4.485 6.916 -6.574 432 2HB ARG 59 2HB ARG 59 6.007 6.476 -5.825 433 1HG ARG 59 1HG ARG 59 5.954 4.326 -7.238 434 2HG ARG 59 2HG ARG 59 4.593 5.017 -8.100 435 1HD ARG 59 1HD ARG 59 6.340 7.126 -8.234 436 2HD ARG 59 2HD ARG 59 7.485 5.801 -8.174 437 HE ARG 59 HE ARG 59 6.889 5.266 -10.360 438 1HH1 ARG 59 1HH1 ARG 59 4.224 7.021 -8.879 439 2HH1 ARG 59 2HH1 ARG 59 3.275 7.057 -10.327 440 1HH2 ARG 59 1HH2 ARG 59 5.637 5.312 -12.271 441 2HH2 ARG 59 2HH2 ARG 59 4.083 6.077 -12.270 442 H ARG 60 H ARG 60 5.908 5.453 -3.220 443 HA ARG 60 HA ARG 60 7.596 3.307 -3.788 444 1HB ARG 60 1HB ARG 60 7.252 5.329 -1.645 445 2HB ARG 60 2HB ARG 60 7.880 3.806 -1.043 446 1HG ARG 60 1HG ARG 60 9.920 4.538 -1.739 447 2HG ARG 60 2HG ARG 60 9.377 4.164 -3.362 448 1HD ARG 60 1HD ARG 60 8.382 6.534 -3.464 449 2HD ARG 60 2HD ARG 60 9.202 6.866 -1.951 450 HE ARG 60 HE ARG 60 11.282 6.859 -3.073 451 1HH1 ARG 60 1HH1 ARG 60 8.736 5.707 -5.211 452 2HH1 ARG 60 2HH1 ARG 60 9.721 5.781 -6.633 453 1HH2 ARG 60 1HH2 ARG 60 12.582 6.957 -4.950 454 2HH2 ARG 60 2HH2 ARG 60 11.924 6.496 -6.484 455 H GLY 61 H GLY 61 5.277 3.796 -1.011 456 1HA GLY 61 1HA GLY 61 5.305 1.350 0.132 457 2HA GLY 61 2HA GLY 61 3.868 2.343 -0.006 458 H ILE 62 H ILE 62 4.136 2.156 -3.102 459 HA ILE 62 HA ILE 62 2.434 -0.111 -3.350 460 HB ILE 62 HB ILE 62 3.658 1.718 -5.419 461 1HG1 ILE 62 1HG1 ILE 62 0.925 1.779 -4.106 462 2HG1 ILE 62 2HG1 ILE 62 2.246 2.874 -3.752 463 1HG2 ILE 62 1HG2 ILE 62 3.012 0.041 -6.791 464 2HG2 ILE 62 2HG2 ILE 62 1.852 -0.629 -5.619 465 3HG2 ILE 62 3HG2 ILE 62 1.418 0.803 -6.583 466 1HD1 ILE 62 1HD1 ILE 62 0.534 2.694 -6.221 467 2HD1 ILE 62 2HD1 ILE 62 1.102 4.131 -5.339 468 3HD1 ILE 62 3HD1 ILE 62 2.216 3.245 -6.406 469 H VAL 63 H VAL 63 5.595 0.710 -4.955 470 HA VAL 63 HA VAL 63 6.143 -1.656 -6.091 471 HB VAL 63 HB VAL 63 8.536 -1.102 -5.717 472 1HG1 VAL 63 1HG1 VAL 63 6.617 0.254 -7.207 473 2HG1 VAL 63 2HG1 VAL 63 7.532 1.554 -6.406 474 3HG1 VAL 63 3HG1 VAL 63 8.382 0.356 -7.411 475 1HG2 VAL 63 1HG2 VAL 63 7.910 -0.076 -3.363 476 2HG2 VAL 63 2HG2 VAL 63 9.285 0.554 -4.303 477 3HG2 VAL 63 3HG2 VAL 63 7.731 1.421 -4.310 478 H LEU 64 H LEU 64 6.372 -0.839 -2.605 479 HA LEU 64 HA LEU 64 7.676 -3.222 -1.863 480 1HB LEU 64 1HB LEU 64 5.859 -1.668 -0.055 481 2HB LEU 64 2HB LEU 64 7.332 -2.535 0.332 482 HG LEU 64 HG LEU 64 7.072 0.125 -1.082 483 1HD1 LEU 64 1HD1 LEU 64 6.883 0.237 1.335 484 2HD1 LEU 64 2HD1 LEU 64 8.394 -0.686 1.522 485 3HD1 LEU 64 3HD1 LEU 64 8.429 0.941 0.802 486 1HD2 LEU 64 1HD2 LEU 64 9.766 -1.010 -0.506 487 2HD2 LEU 64 2HD2 LEU 64 8.886 -1.636 -1.922 488 3HD2 LEU 64 3HD2 LEU 64 9.234 0.105 -1.787 489 H LEU 65 H LEU 65 4.205 -2.220 -1.425 490 HA LEU 65 HA LEU 65 3.340 -4.756 -0.695 491 1HB LEU 65 1HB LEU 65 1.805 -2.512 -2.014 492 2HB LEU 65 2HB LEU 65 1.100 -3.892 -1.196 493 HG LEU 65 HG LEU 65 2.962 -1.994 0.235 494 1HD1 LEU 65 1HD1 LEU 65 -0.053 -1.730 0.111 495 2HD1 LEU 65 2HD1 LEU 65 1.093 -0.685 0.983 496 3HD1 LEU 65 3HD1 LEU 65 1.091 -0.713 -0.797 497 1HD2 LEU 65 1HD2 LEU 65 0.714 -3.639 1.395 498 2HD2 LEU 65 2HD2 LEU 65 2.347 -4.302 1.154 499 3HD2 LEU 65 3HD2 LEU 65 2.106 -2.899 2.222 500 H GLU 66 H GLU 66 4.126 -3.343 -3.833 501 HA GLU 66 HA GLU 66 2.628 -5.153 -5.354 502 1HB GLU 66 1HB GLU 66 5.010 -3.367 -5.957 503 2HB GLU 66 2HB GLU 66 4.326 -4.414 -7.185 504 1HG GLU 66 1HG GLU 66 2.125 -3.068 -5.925 505 2HG GLU 66 2HG GLU 66 3.346 -1.851 -6.238 506 H GLU 67 H GLU 67 5.615 -5.401 -3.561 507 HA GLU 67 HA GLU 67 6.477 -7.670 -5.119 508 1HB GLU 67 1HB GLU 67 7.702 -5.848 -3.103 509 2HB GLU 67 2HB GLU 67 8.249 -7.512 -3.027 510 1HG GLU 67 1HG GLU 67 8.152 -6.749 -5.808 511 2HG GLU 67 2HG GLU 67 8.980 -5.474 -4.936 512 H LEU 68 H LEU 68 4.728 -6.859 -2.184 513 HA LEU 68 HA LEU 68 5.159 -9.415 -0.951 514 1HB LEU 68 1HB LEU 68 3.302 -7.120 -0.312 515 2HB LEU 68 2HB LEU 68 3.455 -8.570 0.659 516 HG LEU 68 HG LEU 68 5.787 -6.736 0.065 517 1HD1 LEU 68 1HD1 LEU 68 3.562 -6.015 1.546 518 2HD1 LEU 68 2HD1 LEU 68 4.713 -6.592 2.775 519 3HD1 LEU 68 3HD1 LEU 68 5.185 -5.293 1.653 520 1HD2 LEU 68 1HD2 LEU 68 6.742 -7.832 2.096 521 2HD2 LEU 68 2HD2 LEU 68 5.361 -8.955 2.081 522 3HD2 LEU 68 3HD2 LEU 68 6.502 -8.928 0.715 523 H LEU 69 H LEU 69 3.130 -8.089 -3.434 524 HA LEU 69 HA LEU 69 0.779 -9.445 -3.121 525 1HB LEU 69 1HB LEU 69 2.249 -8.145 -5.254 526 2HB LEU 69 2HB LEU 69 1.356 -9.527 -5.857 527 HG LEU 69 HG LEU 69 -0.027 -7.610 -6.111 528 1HD1 LEU 69 1HD1 LEU 69 -1.839 -8.738 -5.509 529 2HD1 LEU 69 2HD1 LEU 69 -0.797 -9.833 -4.570 530 3HD1 LEU 69 3HD1 LEU 69 -1.531 -8.414 -3.786 531 1HD2 LEU 69 1HD2 LEU 69 -0.628 -6.089 -4.319 532 2HD2 LEU 69 2HD2 LEU 69 0.359 -7.016 -3.164 533 3HD2 LEU 69 3HD2 LEU 69 1.141 -6.148 -4.507 534 HA PRO 70 HA PRO 70 2.652 -13.244 -5.158 535 1HB PRO 70 1HB PRO 70 5.240 -13.267 -6.037 536 2HB PRO 70 2HB PRO 70 3.878 -12.889 -7.073 537 1HG PRO 70 1HG PRO 70 5.883 -11.058 -5.903 538 2HG PRO 70 2HG PRO 70 4.798 -10.780 -7.250 539 1HD PRO 70 1HD PRO 70 4.508 -9.776 -4.578 540 2HD PRO 70 2HD PRO 70 3.366 -9.596 -5.895 541 H LYS 71 H LYS 71 4.527 -11.451 -2.948 542 HA LYS 71 HA LYS 71 5.499 -13.947 -1.771 543 1HB LYS 71 1HB LYS 71 6.332 -11.064 -1.334 544 2HB LYS 71 2HB LYS 71 6.979 -12.428 -0.448 545 1HG LYS 71 1HG LYS 71 7.649 -13.468 -2.678 546 2HG LYS 71 2HG LYS 71 7.148 -11.985 -3.464 547 1HD LYS 71 1HD LYS 71 8.823 -10.682 -2.273 548 2HD LYS 71 2HD LYS 71 9.192 -12.020 -1.202 549 1HE LYS 71 1HE LYS 71 10.214 -13.300 -2.986 550 2HE LYS 71 2HE LYS 71 9.571 -12.232 -4.219 551 1HZ LYS 71 1HZ LYS 71 10.928 -10.504 -2.801 552 2HZ LYS 71 2HZ LYS 71 11.817 -11.829 -2.458 553 3HZ LYS 71 3HZ LYS 71 11.613 -11.364 -4.009 554 H GLY 72 H GLY 72 2.661 -13.174 -1.711 555 1HA GLY 72 1HA GLY 72 2.297 -12.367 1.094 556 2HA GLY 72 2HA GLY 72 1.081 -12.367 -0.167 557 H SER 73 H SER 73 -0.480 -13.848 0.316 558 HA SER 73 HA SER 73 0.322 -16.564 0.589 559 1HB SER 73 1HB SER 73 0.540 -15.998 2.922 560 2HB SER 73 2HB SER 73 -0.950 -15.074 2.916 561 HG SER 73 HG SER 73 -0.961 -17.369 3.830 562 H LYS 74 H LYS 74 -2.661 -15.125 1.979 563 HA LYS 74 HA LYS 74 -4.100 -15.691 -0.487 564 1HB LYS 74 1HB LYS 74 -4.039 -17.747 1.082 565 2HB LYS 74 2HB LYS 74 -5.112 -16.828 2.119 566 1HG LYS 74 1HG LYS 74 -6.726 -17.829 0.808 567 2HG LYS 74 2HG LYS 74 -6.424 -16.435 -0.211 568 1HD LYS 74 1HD LYS 74 -4.455 -18.447 -0.857 569 2HD LYS 74 2HD LYS 74 -6.026 -19.222 -0.836 570 1HE LYS 74 1HE LYS 74 -6.558 -16.826 -2.174 571 2HE LYS 74 2HE LYS 74 -4.943 -17.218 -2.731 572 1HZ LYS 74 1HZ LYS 74 -7.357 -18.855 -2.951 573 2HZ LYS 74 2HZ LYS 74 -6.377 -18.330 -4.147 574 3HZ LYS 74 3HZ LYS 74 -5.872 -19.507 -3.134 575 H GLU 75 H GLU 75 -4.951 -15.000 2.976 576 HA GLU 75 HA GLU 75 -6.743 -12.991 2.128 577 1HB GLU 75 1HB GLU 75 -5.714 -13.771 4.890 578 2HB GLU 75 2HB GLU 75 -6.982 -12.589 4.622 579 1HG GLU 75 1HG GLU 75 -7.649 -14.932 3.083 580 2HG GLU 75 2HG GLU 75 -7.198 -15.472 4.688 581 H GLU 76 H GLU 76 -3.416 -13.033 2.209 582 HA GLU 76 HA GLU 76 -2.988 -10.508 3.434 583 1HB GLU 76 1HB GLU 76 -1.252 -12.407 1.820 584 2HB GLU 76 2HB GLU 76 -0.659 -10.832 2.309 585 1HG GLU 76 1HG GLU 76 -1.342 -11.462 4.717 586 2HG GLU 76 2HG GLU 76 -1.605 -13.090 4.128 587 H GLN 77 H GLN 77 -2.781 -11.766 0.024 588 HA GLN 77 HA GLN 77 -2.204 -9.459 -1.226 589 1HB GLN 77 1HB GLN 77 -3.979 -11.776 -2.072 590 2HB GLN 77 2HB GLN 77 -3.605 -10.462 -3.170 591 1HG GLN 77 1HG GLN 77 -1.098 -10.927 -2.527 592 2HG GLN 77 2HG GLN 77 -1.691 -12.453 -1.904 593 1HE2 GLN 77 1HE2 GLN 77 -0.316 -13.391 -3.520 594 2HE2 GLN 77 2HE2 GLN 77 -0.866 -13.582 -5.151 595 H ARG 78 H ARG 78 -5.397 -10.561 -0.001 596 HA ARG 78 HA ARG 78 -6.948 -8.687 -1.242 597 1HB ARG 78 1HB ARG 78 -7.177 -10.150 1.414 598 2HB ARG 78 2HB ARG 78 -8.407 -8.994 0.944 599 1HG ARG 78 1HG ARG 78 -9.328 -10.902 -0.001 600 2HG ARG 78 2HG ARG 78 -8.356 -10.371 -1.358 601 1HD ARG 78 1HD ARG 78 -7.072 -12.245 -1.259 602 2HD ARG 78 2HD ARG 78 -6.705 -11.968 0.432 603 HE ARG 78 HE ARG 78 -8.517 -13.374 1.064 604 1HH1 ARG 78 1HH1 ARG 78 -8.426 -12.901 -2.422 605 2HH1 ARG 78 2HH1 ARG 78 -9.536 -14.190 -2.754 606 1HH2 ARG 78 1HH2 ARG 78 -9.981 -15.073 0.627 607 2HH2 ARG 78 2HH2 ARG 78 -10.426 -15.433 -1.008 608 H ASP 79 H ASP 79 -4.817 -8.458 1.608 609 HA ASP 79 HA ASP 79 -5.889 -5.925 2.369 610 1HB ASP 79 1HB ASP 79 -4.243 -7.952 3.542 611 2HB ASP 79 2HB ASP 79 -3.259 -6.502 3.487 612 H TYR 80 H TYR 80 -3.433 -7.263 0.244 613 HA TYR 80 HA TYR 80 -1.730 -4.962 0.227 614 1HB TYR 80 1HB TYR 80 -2.188 -7.430 -1.560 615 2HB TYR 80 2HB TYR 80 -0.874 -6.303 -1.838 616 HD1 TYR 80 1HD TYR 80 -0.254 -9.114 -1.482 617 HD2 TYR 80 2HD TYR 80 -0.833 -6.086 1.486 618 HE1 TYR 80 1HE TYR 80 1.207 -10.415 0.143 619 HE2 TYR 80 2HE TYR 80 0.631 -7.398 3.099 620 HH TYR 80 HH TYR 80 1.227 -10.397 2.957 621 H VAL 81 H VAL 81 -3.583 -6.503 -2.493 622 HA VAL 81 HA VAL 81 -3.518 -4.593 -4.308 623 HB VAL 81 HB VAL 81 -6.003 -6.084 -3.441 624 1HG1 VAL 81 1HG1 VAL 81 -5.338 -4.453 -5.868 625 2HG1 VAL 81 2HG1 VAL 81 -6.350 -5.905 -6.058 626 3HG1 VAL 81 3HG1 VAL 81 -6.869 -4.596 -4.969 627 1HG2 VAL 81 1HG2 VAL 81 -3.493 -6.969 -4.593 628 2HG2 VAL 81 2HG2 VAL 81 -4.882 -7.925 -4.022 629 3HG2 VAL 81 3HG2 VAL 81 -4.853 -7.309 -5.692 630 H PHE 82 H PHE 82 -6.034 -4.609 -1.677 631 HA PHE 82 HA PHE 82 -7.332 -2.353 -2.151 632 1HB PHE 82 1HB PHE 82 -7.690 -3.764 -0.161 633 2HB PHE 82 2HB PHE 82 -6.072 -3.439 0.428 634 HD1 PHE 82 1HD PHE 82 -6.452 -2.473 2.518 635 HD2 PHE 82 2HD PHE 82 -8.568 -0.997 -0.851 636 HE1 PHE 82 1HE PHE 82 -7.338 -0.577 3.904 637 HE2 PHE 82 2HE PHE 82 -9.453 0.898 0.535 638 HZ PHE 82 HZ PHE 82 -8.828 1.087 2.895 639 H TYR 83 H TYR 83 -4.183 -2.444 -0.329 640 HA TYR 83 HA TYR 83 -3.981 0.352 -0.137 641 1HB TYR 83 1HB TYR 83 -2.013 -2.016 -0.126 642 2HB TYR 83 2HB TYR 83 -1.511 -0.392 0.299 643 HD1 TYR 83 1HD TYR 83 -4.668 -0.332 1.529 644 HD2 TYR 83 2HD TYR 83 -0.976 -2.367 2.258 645 HE1 TYR 83 1HE TYR 83 -5.365 -0.749 3.937 646 HE2 TYR 83 2HE TYR 83 -1.685 -2.777 4.664 647 HH TYR 83 HH TYR 83 -3.343 -1.477 6.297 648 H LEU 84 H LEU 84 -2.852 -2.046 -2.565 649 HA LEU 84 HA LEU 84 -1.130 -0.338 -3.940 650 1HB LEU 84 1HB LEU 84 -2.569 -2.882 -4.516 651 2HB LEU 84 2HB LEU 84 -1.891 -2.002 -5.871 652 HG LEU 84 HG LEU 84 0.328 -2.013 -4.613 653 1HD1 LEU 84 1HD1 LEU 84 -0.142 -2.514 -2.405 654 2HD1 LEU 84 2HD1 LEU 84 -1.304 -3.794 -2.827 655 3HD1 LEU 84 3HD1 LEU 84 0.441 -4.076 -3.028 656 1HD2 LEU 84 1HD2 LEU 84 -0.923 -4.578 -5.620 657 2HD2 LEU 84 2HD2 LEU 84 0.047 -3.398 -6.534 658 3HD2 LEU 84 3HD2 LEU 84 0.811 -4.388 -5.266 659 H ALA 85 H ALA 85 -4.661 -0.646 -3.878 660 HA ALA 85 HA ALA 85 -4.954 0.981 -6.249 661 1HB ALA 85 1HB ALA 85 -7.037 -0.006 -4.261 662 2HB ALA 85 2HB ALA 85 -7.327 0.607 -5.907 663 3HB ALA 85 3HB ALA 85 -6.472 -0.937 -5.670 664 H VAL 86 H VAL 86 -5.901 1.221 -2.742 665 HA VAL 86 HA VAL 86 -6.734 3.825 -2.781 666 HB VAL 86 HB VAL 86 -6.796 2.038 -0.949 667 1HG1 VAL 86 1HG1 VAL 86 -5.056 1.795 0.554 668 2HG1 VAL 86 2HG1 VAL 86 -4.167 1.999 -0.974 669 3HG1 VAL 86 3HG1 VAL 86 -4.337 3.371 0.146 670 1HG2 VAL 86 1HG2 VAL 86 -7.833 4.155 -0.578 671 2HG2 VAL 86 2HG2 VAL 86 -6.842 3.808 0.860 672 3HG2 VAL 86 3HG2 VAL 86 -6.261 4.963 -0.364 673 H GLY 87 H GLY 87 -3.403 2.494 -2.607 674 1HA GLY 87 1HA GLY 87 -2.128 4.975 -2.076 675 2HA GLY 87 2HA GLY 87 -1.388 3.502 -2.671 676 H ASN 88 H ASN 88 -2.538 2.995 -5.106 677 HA ASN 88 HA ASN 88 -1.225 4.722 -6.760 678 1HB ASN 88 1HB ASN 88 -3.249 2.547 -7.054 679 2HB ASN 88 2HB ASN 88 -3.227 3.678 -8.392 680 1HD2 ASN 88 1HD2 ASN 88 -1.973 0.882 -7.233 681 2HD2 ASN 88 2HD2 ASN 88 -0.485 0.782 -8.113 682 H TYR 89 H TYR 89 -4.746 4.491 -5.884 683 HA TYR 89 HA TYR 89 -5.833 6.357 -7.517 684 1HB TYR 89 1HB TYR 89 -7.291 5.223 -6.008 685 2HB TYR 89 2HB TYR 89 -6.172 5.377 -4.669 686 HD1 TYR 89 1HD TYR 89 -8.933 6.951 -6.484 687 HD2 TYR 89 2HD TYR 89 -6.101 7.444 -3.317 688 HE1 TYR 89 1HE TYR 89 -10.290 8.894 -5.564 689 HE2 TYR 89 2HE TYR 89 -7.466 9.386 -2.407 690 HH TYR 89 HH TYR 89 -10.568 10.250 -3.873 691 H ARG 90 H ARG 90 -4.206 6.975 -4.332 692 HA ARG 90 HA ARG 90 -4.687 9.634 -4.201 693 1HB ARG 90 1HB ARG 90 -3.219 7.807 -2.737 694 2HB ARG 90 2HB ARG 90 -1.931 8.801 -3.389 695 1HG ARG 90 1HG ARG 90 -4.327 10.200 -2.202 696 2HG ARG 90 2HG ARG 90 -3.190 9.446 -1.102 697 1HD ARG 90 1HD ARG 90 -1.567 11.019 -1.502 698 2HD ARG 90 2HD ARG 90 -1.857 11.022 -3.230 699 HE ARG 90 HE ARG 90 -3.984 12.301 -1.646 700 1HH1 ARG 90 1HH1 ARG 90 -0.969 12.767 -3.399 701 2HH1 ARG 90 2HH1 ARG 90 -1.224 14.462 -3.644 702 1HH2 ARG 90 1HH2 ARG 90 -4.322 14.538 -1.967 703 2HH2 ARG 90 2HH2 ARG 90 -3.144 15.477 -2.823 704 H LEU 91 H LEU 91 -2.502 7.847 -6.322 705 HA LEU 91 HA LEU 91 -1.103 10.284 -7.082 706 1HB LEU 91 1HB LEU 91 -0.698 7.384 -7.825 707 2HB LEU 91 2HB LEU 91 0.250 8.712 -8.465 708 HG LEU 91 HG LEU 91 0.059 8.186 -5.498 709 1HD1 LEU 91 1HD1 LEU 91 0.842 6.143 -6.747 710 2HD1 LEU 91 2HD1 LEU 91 2.233 7.104 -7.300 711 3HD1 LEU 91 3HD1 LEU 91 1.992 6.807 -5.562 712 1HD2 LEU 91 1HD2 LEU 91 2.537 9.224 -6.030 713 2HD2 LEU 91 2HD2 LEU 91 1.520 10.051 -7.234 714 3HD2 LEU 91 3HD2 LEU 91 1.115 10.158 -5.503 715 H LYS 92 H LYS 92 -4.081 9.525 -7.588 716 HA LYS 92 HA LYS 92 -5.552 9.912 -9.187 717 1HB LYS 92 1HB LYS 92 -3.151 11.149 -10.549 718 2HB LYS 92 2HB LYS 92 -4.742 11.140 -11.282 719 1HG LYS 92 1HG LYS 92 -5.104 11.994 -8.570 720 2HG LYS 92 2HG LYS 92 -3.719 12.872 -9.187 721 1HD LYS 92 1HD LYS 92 -5.448 13.061 -11.332 722 2HD LYS 92 2HD LYS 92 -6.584 13.037 -9.998 723 1HE LYS 92 1HE LYS 92 -6.044 15.162 -9.389 724 2HE LYS 92 2HE LYS 92 -4.332 14.792 -9.366 725 1HZ LYS 92 1HZ LYS 92 -4.385 16.203 -11.093 726 2HZ LYS 92 2HZ LYS 92 -4.731 14.855 -11.947 727 3HZ LYS 92 3HZ LYS 92 -5.929 15.874 -11.509 728 H GLU 93 H GLU 93 -3.552 7.477 -9.053 729 HA GLU 93 HA GLU 93 -3.728 6.554 -11.758 730 1HB GLU 93 1HB GLU 93 -2.599 5.386 -9.190 731 2HB GLU 93 2HB GLU 93 -2.703 4.433 -10.657 732 1HG GLU 93 1HG GLU 93 -1.496 7.158 -10.961 733 2HG GLU 93 2HG GLU 93 -0.557 6.011 -10.026 734 H TYR 94 H TYR 94 -6.054 6.508 -12.054 735 HA TYR 94 HA TYR 94 -7.654 4.924 -10.285 736 1HB TYR 94 1HB TYR 94 -8.210 5.883 -13.152 737 2HB TYR 94 2HB TYR 94 -9.397 5.628 -11.888 738 HD1 TYR 94 1HD TYR 94 -8.831 8.148 -13.659 739 HD2 TYR 94 2HD TYR 94 -7.746 7.055 -9.667 740 HE1 TYR 94 1HE TYR 94 -8.684 10.604 -13.019 741 HE2 TYR 94 2HE TYR 94 -7.602 9.516 -9.041 742 HH TYR 94 HH TYR 94 -8.865 11.952 -11.007 743 H GLU 95 H GLU 95 -6.626 4.632 -13.762 744 HA GLU 95 HA GLU 95 -7.753 2.367 -14.462 745 1HB GLU 95 1HB GLU 95 -4.917 3.328 -14.944 746 2HB GLU 95 2HB GLU 95 -5.488 1.842 -15.677 747 1HG GLU 95 1HG GLU 95 -7.586 3.538 -16.262 748 2HG GLU 95 2HG GLU 95 -6.244 4.665 -16.277 749 H LYS 96 H LYS 96 -4.380 2.238 -13.101 750 HA LYS 96 HA LYS 96 -4.409 -0.468 -12.590 751 1HB LYS 96 1HB LYS 96 -2.840 1.841 -11.452 752 2HB LYS 96 2HB LYS 96 -2.589 0.209 -10.867 753 1HG LYS 96 1HG LYS 96 -1.055 0.194 -12.601 754 2HG LYS 96 2HG LYS 96 -2.461 -0.350 -13.494 755 1HD LYS 96 1HD LYS 96 -2.461 2.557 -13.398 756 2HD LYS 96 2HD LYS 96 -0.895 2.002 -13.955 757 1HE LYS 96 1HE LYS 96 -3.224 0.579 -15.164 758 2HE LYS 96 2HE LYS 96 -3.111 2.279 -15.573 759 1HZ LYS 96 1HZ LYS 96 -1.561 1.705 -17.004 760 2HZ LYS 96 2HZ LYS 96 -0.571 1.278 -15.777 761 3HZ LYS 96 3HZ LYS 96 -1.527 0.158 -16.482 762 H ALA 97 H ALA 97 -5.121 2.268 -10.309 763 HA ALA 97 HA ALA 97 -5.620 0.972 -8.038 764 1HB ALA 97 1HB ALA 97 -5.936 3.287 -8.004 765 2HB ALA 97 2HB ALA 97 -7.018 3.263 -9.417 766 3HB ALA 97 3HB ALA 97 -7.603 2.686 -7.838 767 H LEU 98 H LEU 98 -8.320 1.598 -10.394 768 HA LEU 98 HA LEU 98 -10.130 -0.098 -9.260 769 1HB LEU 98 1HB LEU 98 -9.733 1.217 -11.837 770 2HB LEU 98 2HB LEU 98 -10.634 -0.280 -11.972 771 HG LEU 98 HG LEU 98 -12.090 1.686 -11.728 772 1HD1 LEU 98 1HD1 LEU 98 -13.012 -0.397 -11.033 773 2HD1 LEU 98 2HD1 LEU 98 -12.162 -0.328 -9.471 774 3HD1 LEU 98 3HD1 LEU 98 -13.477 0.820 -9.821 775 1HD2 LEU 98 1HD2 LEU 98 -11.687 2.148 -8.891 776 2HD2 LEU 98 2HD2 LEU 98 -10.225 2.525 -9.833 777 3HD2 LEU 98 3HD2 LEU 98 -11.771 3.306 -10.241 778 H LYS 99 H LYS 99 -8.002 -0.910 -12.100 779 HA LYS 99 HA LYS 99 -8.567 -3.483 -12.436 780 1HB LYS 99 1HB LYS 99 -6.443 -1.766 -13.096 781 2HB LYS 99 2HB LYS 99 -5.681 -3.174 -12.382 782 1HG LYS 99 1HG LYS 99 -5.908 -4.068 -14.480 783 2HG LYS 99 2HG LYS 99 -7.545 -4.414 -13.959 784 1HD LYS 99 1HD LYS 99 -8.308 -3.110 -15.649 785 2HD LYS 99 2HD LYS 99 -7.624 -1.717 -14.835 786 1HE LYS 99 1HE LYS 99 -5.489 -1.998 -16.019 787 2HE LYS 99 2HE LYS 99 -6.020 -3.516 -16.713 788 1HZ LYS 99 1HZ LYS 99 -6.386 -1.024 -17.759 789 2HZ LYS 99 2HZ LYS 99 -7.036 -2.417 -18.310 790 3HZ LYS 99 3HZ LYS 99 -7.875 -1.481 -17.267 791 H TYR 100 H TYR 100 -6.884 -2.069 -9.634 792 HA TYR 100 HA TYR 100 -6.303 -4.710 -8.575 793 1HB TYR 100 1HB TYR 100 -5.608 -1.825 -8.191 794 2HB TYR 100 2HB TYR 100 -5.809 -2.668 -6.669 795 HD1 TYR 100 1HD TYR 100 -3.275 -1.441 -8.205 796 HD2 TYR 100 2HD TYR 100 -4.761 -5.392 -7.505 797 HE1 TYR 100 1HE TYR 100 -0.916 -2.371 -8.403 798 HE2 TYR 100 2HE TYR 100 -2.397 -6.308 -7.706 799 HH TYR 100 HH TYR 100 0.196 -4.364 -8.871 800 H VAL 101 H VAL 101 -8.382 -1.834 -7.883 801 HA VAL 101 HA VAL 101 -9.447 -2.832 -5.497 802 HB VAL 101 HB VAL 101 -9.739 -0.580 -7.234 803 1HG1 VAL 101 1HG1 VAL 101 -11.864 -1.557 -7.950 804 2HG1 VAL 101 2HG1 VAL 101 -12.371 -1.739 -6.254 805 3HG1 VAL 101 3HG1 VAL 101 -12.142 -0.115 -6.946 806 1HG2 VAL 101 1HG2 VAL 101 -9.248 0.120 -5.145 807 2HG2 VAL 101 2HG2 VAL 101 -11.013 0.102 -4.913 808 3HG2 VAL 101 3HG2 VAL 101 -10.031 -1.283 -4.378 809 H ARG 102 H ARG 102 -10.589 -3.014 -8.930 810 HA ARG 102 HA ARG 102 -12.919 -4.357 -8.345 811 1HB ARG 102 1HB ARG 102 -11.192 -4.558 -10.865 812 2HB ARG 102 2HB ARG 102 -12.882 -5.012 -10.764 813 1HG ARG 102 1HG ARG 102 -11.869 -2.202 -10.130 814 2HG ARG 102 2HG ARG 102 -12.430 -2.683 -11.720 815 1HD ARG 102 1HD ARG 102 -14.248 -3.277 -9.393 816 2HD ARG 102 2HD ARG 102 -14.085 -1.598 -9.868 817 HE ARG 102 HE ARG 102 -14.532 -3.305 -12.176 818 1HH1 ARG 102 1HH1 ARG 102 -16.163 -1.709 -9.497 819 2HH1 ARG 102 2HH1 ARG 102 -17.691 -1.633 -10.307 820 1HH2 ARG 102 1HH2 ARG 102 -16.549 -3.204 -13.245 821 2HH2 ARG 102 2HH2 ARG 102 -17.913 -2.489 -12.453 822 H GLY 103 H GLY 103 -9.560 -5.487 -8.934 823 1HA GLY 103 1HA GLY 103 -10.239 -8.269 -9.046 824 2HA GLY 103 2HA GLY 103 -8.642 -7.557 -8.926 825 H LEU 104 H LEU 104 -10.286 -6.004 -6.512 826 HA LEU 104 HA LEU 104 -9.416 -8.000 -4.553 827 1HB LEU 104 1HB LEU 104 -8.271 -5.872 -4.444 828 2HB LEU 104 2HB LEU 104 -9.794 -5.012 -4.345 829 HG LEU 104 HG LEU 104 -8.386 -5.412 -2.199 830 1HD1 LEU 104 1HD1 LEU 104 -10.759 -5.971 -1.018 831 2HD1 LEU 104 2HD1 LEU 104 -10.300 -4.367 -1.640 832 3HD1 LEU 104 3HD1 LEU 104 -11.310 -5.449 -2.629 833 1HD2 LEU 104 1HD2 LEU 104 -8.652 -7.435 -1.029 834 2HD2 LEU 104 2HD2 LEU 104 -9.916 -8.013 -2.141 835 3HD2 LEU 104 3HD2 LEU 104 -8.226 -7.909 -2.691 836 H LEU 105 H LEU 105 -12.082 -5.684 -5.352 837 HA LEU 105 HA LEU 105 -13.784 -6.363 -3.304 838 1HB LEU 105 1HB LEU 105 -14.087 -5.250 -6.049 839 2HB LEU 105 2HB LEU 105 -15.536 -5.799 -5.230 840 HG LEU 105 HG LEU 105 -15.145 -3.389 -4.948 841 1HD1 LEU 105 1HD1 LEU 105 -14.800 -4.793 -2.291 842 2HD1 LEU 105 2HD1 LEU 105 -15.636 -3.258 -2.627 843 3HD1 LEU 105 3HD1 LEU 105 -16.320 -4.792 -3.217 844 1HD2 LEU 105 1HD2 LEU 105 -12.593 -4.255 -3.566 845 2HD2 LEU 105 2HD2 LEU 105 -12.753 -3.262 -5.035 846 3HD2 LEU 105 3HD2 LEU 105 -13.292 -2.621 -3.465 847 H GLN 106 H GLN 106 -13.029 -8.077 -6.346 848 HA GLN 106 HA GLN 106 -15.096 -9.747 -6.587 849 1HB GLN 106 1HB GLN 106 -12.367 -9.678 -7.432 850 2HB GLN 106 2HB GLN 106 -12.662 -11.305 -6.855 851 1HG GLN 106 1HG GLN 106 -14.903 -10.283 -8.480 852 2HG GLN 106 2HG GLN 106 -13.392 -10.278 -9.367 853 1HE2 GLN 106 1HE2 GLN 106 -16.001 -12.094 -8.311 854 2HE2 GLN 106 2HE2 GLN 106 -15.432 -13.692 -8.666 855 H THR 107 H THR 107 -12.110 -10.671 -4.712 856 HA THR 107 HA THR 107 -13.592 -12.723 -3.338 857 HB THR 107 HB THR 107 -11.171 -12.884 -4.138 858 HG1 THR 107 1HG THR 107 -12.169 -14.142 -2.333 859 1HG2 THR 107 1HG2 THR 107 -9.527 -11.522 -3.289 860 2HG2 THR 107 2HG2 THR 107 -10.851 -10.436 -2.805 861 3HG2 THR 107 3HG2 THR 107 -10.200 -11.618 -1.644 862 H GLU 108 H GLU 108 -13.349 -9.368 -2.990 863 HA GLU 108 HA GLU 108 -14.164 -9.677 -0.215 864 1HB GLU 108 1HB GLU 108 -12.355 -7.444 -1.238 865 2HB GLU 108 2HB GLU 108 -12.918 -7.644 0.410 866 1HG GLU 108 1HG GLU 108 -11.424 -9.918 -0.919 867 2HG GLU 108 2HG GLU 108 -10.518 -8.544 -0.317 868 HA PRO 109 HA PRO 109 -17.078 -7.218 -2.732 869 1HB PRO 109 1HB PRO 109 -19.281 -8.816 -2.479 870 2HB PRO 109 2HB PRO 109 -18.196 -8.890 -3.853 871 1HG PRO 109 1HG PRO 109 -18.443 -10.767 -1.583 872 2HG PRO 109 2HG PRO 109 -17.694 -11.027 -3.145 873 1HD PRO 109 1HD PRO 109 -16.350 -10.533 -0.660 874 2HD PRO 109 2HD PRO 109 -15.609 -10.678 -2.241 875 H GLN 110 H GLN 110 -17.486 -8.854 0.322 876 HA GLN 110 HA GLN 110 -19.478 -7.059 1.184 877 1HB GLN 110 1HB GLN 110 -19.414 -8.246 3.231 878 2HB GLN 110 2HB GLN 110 -18.976 -9.449 2.035 879 1HG GLN 110 1HG GLN 110 -16.554 -9.062 2.526 880 2HG GLN 110 2HG GLN 110 -16.988 -7.853 3.719 881 1HE2 GLN 110 1HE2 GLN 110 -17.701 -8.427 5.700 882 2HE2 GLN 110 2HE2 GLN 110 -17.782 -10.052 6.293 883 H ASN 111 H ASN 111 -15.918 -7.166 1.293 884 HA ASN 111 HA ASN 111 -15.360 -5.484 3.304 885 1HB ASN 111 1HB ASN 111 -13.620 -6.542 1.904 886 2HB ASN 111 2HB ASN 111 -14.107 -5.596 0.511 887 1HD2 ASN 111 1HD2 ASN 111 -11.519 -5.733 1.697 888 2HD2 ASN 111 2HD2 ASN 111 -11.073 -4.150 2.239 889 H ASN 112 H ASN 112 -16.044 -3.386 3.756 890 HA ASN 112 HA ASN 112 -17.429 -1.934 1.766 891 1HB ASN 112 1HB ASN 112 -16.452 -0.839 4.444 892 2HB ASN 112 2HB ASN 112 -17.858 -0.327 3.534 893 1HD2 ASN 112 1HD2 ASN 112 -19.518 -2.031 3.108 894 2HD2 ASN 112 2HD2 ASN 112 -19.909 -3.130 4.387 895 H GLN 113 H GLN 113 -14.383 -1.463 3.714 896 HA GLN 113 HA GLN 113 -13.508 0.874 2.877 897 1HB GLN 113 1HB GLN 113 -11.939 -1.714 3.190 898 2HB GLN 113 2HB GLN 113 -11.146 -0.173 2.930 899 1HG GLN 113 1HG GLN 113 -11.269 0.170 5.170 900 2HG GLN 113 2HG GLN 113 -12.998 0.379 4.976 901 1HE2 GLN 113 1HE2 GLN 113 -14.381 -1.095 5.736 902 2HE2 GLN 113 2HE2 GLN 113 -13.948 -2.571 6.531 903 H ALA 114 H ALA 114 -13.186 -2.205 0.989 904 HA ALA 114 HA ALA 114 -11.875 -0.977 -1.190 905 1HB ALA 114 1HB ALA 114 -13.505 -3.429 -1.631 906 2HB ALA 114 2HB ALA 114 -11.794 -3.109 -2.004 907 3HB ALA 114 3HB ALA 114 -12.280 -3.530 -0.344 908 H LYS 115 H LYS 115 -15.301 -2.089 -0.684 909 HA LYS 115 HA LYS 115 -16.405 -1.391 -3.020 910 1HB LYS 115 1HB LYS 115 -17.348 -1.454 -0.208 911 2HB LYS 115 2HB LYS 115 -18.358 -0.560 -1.327 912 1HG LYS 115 1HG LYS 115 -17.908 -2.754 -2.860 913 2HG LYS 115 2HG LYS 115 -17.697 -3.493 -1.286 914 1HD LYS 115 1HD LYS 115 -19.933 -3.472 -0.887 915 2HD LYS 115 2HD LYS 115 -20.044 -1.761 -1.251 916 1HE LYS 115 1HE LYS 115 -19.958 -2.419 -3.750 917 2HE LYS 115 2HE LYS 115 -20.177 -4.077 -3.229 918 1HZ LYS 115 1HZ LYS 115 -22.056 -2.538 -1.914 919 2HZ LYS 115 2HZ LYS 115 -22.103 -2.094 -3.485 920 3HZ LYS 115 3HZ LYS 115 -22.315 -3.660 -3.072 921 H GLU 116 H GLU 116 -15.996 0.905 -0.230 922 HA GLU 116 HA GLU 116 -16.919 3.113 -1.520 923 1HB GLU 116 1HB GLU 116 -15.273 2.531 0.849 924 2HB GLU 116 2HB GLU 116 -14.856 4.072 0.126 925 1HG GLU 116 1HG GLU 116 -17.734 3.853 0.127 926 2HG GLU 116 2HG GLU 116 -17.167 3.412 1.725 927 H LEU 117 H LEU 117 -13.445 2.072 -1.190 928 HA LEU 117 HA LEU 117 -12.198 3.983 -2.582 929 1HB LEU 117 1HB LEU 117 -11.612 1.433 -1.686 930 2HB LEU 117 2HB LEU 117 -11.315 1.324 -3.409 931 HG LEU 117 HG LEU 117 -9.999 3.162 -1.405 932 1HD1 LEU 117 1HD1 LEU 117 -9.236 0.728 -2.899 933 2HD1 LEU 117 2HD1 LEU 117 -8.009 2.016 -2.845 934 3HD1 LEU 117 3HD1 LEU 117 -8.666 1.349 -1.331 935 1HD2 LEU 117 1HD2 LEU 117 -10.710 4.145 -3.781 936 2HD2 LEU 117 2HD2 LEU 117 -9.168 4.556 -2.994 937 3HD2 LEU 117 3HD2 LEU 117 -9.213 3.318 -4.272 938 H GLU 118 H GLU 118 -13.506 0.985 -4.180 939 HA GLU 118 HA GLU 118 -13.067 1.632 -6.717 940 1HB GLU 118 1HB GLU 118 -14.085 -0.479 -6.120 941 2HB GLU 118 2HB GLU 118 -15.516 0.310 -5.485 942 1HG GLU 118 1HG GLU 118 -14.903 0.991 -8.319 943 2HG GLU 118 2HG GLU 118 -15.278 -0.700 -8.051 944 H ARG 119 H ARG 119 -16.038 2.606 -4.855 945 HA ARG 119 HA ARG 119 -17.104 4.094 -6.921 946 1HB ARG 119 1HB ARG 119 -17.520 3.872 -3.956 947 2HB ARG 119 2HB ARG 119 -18.148 5.326 -4.705 948 1HG ARG 119 1HG ARG 119 -18.985 3.371 -6.492 949 2HG ARG 119 2HG ARG 119 -19.075 2.514 -4.967 950 1HD ARG 119 1HD ARG 119 -21.136 3.511 -4.798 951 2HD ARG 119 2HD ARG 119 -20.225 4.896 -4.231 952 HE ARG 119 HE ARG 119 -20.599 5.986 -6.291 953 1HH1 ARG 119 1HH1 ARG 119 -21.581 2.614 -6.509 954 2HH1 ARG 119 2HH1 ARG 119 -22.382 2.812 -8.032 955 1HH2 ARG 119 1HH2 ARG 119 -21.655 6.249 -8.300 956 2HH2 ARG 119 2HH2 ARG 119 -22.424 4.894 -9.057 957 H LEU 120 H LEU 120 -14.806 4.883 -4.277 958 HA LEU 120 HA LEU 120 -14.874 7.649 -4.483 959 1HB LEU 120 1HB LEU 120 -12.697 5.732 -3.655 960 2HB LEU 120 2HB LEU 120 -12.541 7.473 -3.528 961 HG LEU 120 HG LEU 120 -14.732 5.876 -2.177 962 1HD1 LEU 120 1HD1 LEU 120 -12.636 7.030 -0.474 963 2HD1 LEU 120 2HD1 LEU 120 -13.421 5.433 -0.418 964 3HD1 LEU 120 3HD1 LEU 120 -12.068 5.721 -1.539 965 1HD2 LEU 120 1HD2 LEU 120 -14.545 8.121 -0.732 966 2HD2 LEU 120 2HD2 LEU 120 -14.026 8.761 -2.309 967 3HD2 LEU 120 3HD2 LEU 120 -15.610 7.966 -2.150 968 H ILE 121 H ILE 121 -12.450 5.366 -5.955 969 HA ILE 121 HA ILE 121 -11.190 7.244 -7.516 970 HB ILE 121 HB ILE 121 -11.648 4.332 -8.170 971 1HG1 ILE 121 1HG1 ILE 121 -9.132 5.000 -6.860 972 2HG1 ILE 121 2HG1 ILE 121 -10.509 5.387 -5.847 973 1HG2 ILE 121 1HG2 ILE 121 -10.142 6.439 -9.456 974 2HG2 ILE 121 2HG2 ILE 121 -9.067 5.133 -8.903 975 3HG2 ILE 121 3HG2 ILE 121 -10.436 4.763 -9.978 976 1HD1 ILE 121 1HD1 ILE 121 -10.856 2.799 -7.202 977 2HD1 ILE 121 2HD1 ILE 121 -9.386 2.847 -6.198 978 3HD1 ILE 121 3HD1 ILE 121 -10.973 3.195 -5.470 979 H ASP 122 H ASP 122 -14.074 5.194 -8.280 980 HA ASP 122 HA ASP 122 -14.448 5.727 -10.839 981 1HB ASP 122 1HB ASP 122 -15.987 4.641 -8.910 982 2HB ASP 122 2HB ASP 122 -16.824 6.176 -9.033 983 H LYS 123 H LYS 123 -15.036 7.927 -8.047 984 HA LYS 123 HA LYS 123 -16.210 9.972 -9.671 985 1HB LYS 123 1HB LYS 123 -15.855 9.398 -6.851 986 2HB LYS 123 2HB LYS 123 -15.396 11.052 -7.200 987 1HG LYS 123 1HG LYS 123 -17.542 11.681 -7.725 988 2HG LYS 123 2HG LYS 123 -17.878 10.193 -8.587 989 1HD LYS 123 1HD LYS 123 -18.679 9.108 -6.703 990 2HD LYS 123 2HD LYS 123 -17.558 9.915 -5.624 991 1HE LYS 123 1HE LYS 123 -19.983 11.262 -6.910 992 2HE LYS 123 2HE LYS 123 -19.960 10.616 -5.281 993 1HZ LYS 123 1HZ LYS 123 -17.795 12.390 -5.875 994 2HZ LYS 123 2HZ LYS 123 -19.266 13.097 -5.919 995 3HZ LYS 123 3HZ LYS 123 -18.767 12.334 -4.564 996 H ALA 124 H ALA 124 -13.091 9.631 -7.833 997 HA ALA 124 HA ALA 124 -11.851 11.900 -8.500 998 1HB ALA 124 1HB ALA 124 -11.111 9.229 -7.721 999 2HB ALA 124 2HB ALA 124 -9.945 9.821 -8.928 1000 3HB ALA 124 3HB ALA 124 -10.238 10.754 -7.440 1001 H MET 125 H MET 125 -12.363 9.053 -10.647 1002 HA MET 125 HA MET 125 -10.781 9.915 -12.725 1003 1HB MET 125 1HB MET 125 -13.399 8.313 -12.727 1004 2HB MET 125 2HB MET 125 -12.320 8.405 -14.104 1005 1HG MET 125 1HG MET 125 -10.554 7.248 -12.941 1006 2HG MET 125 2HG MET 125 -11.317 7.480 -11.381 1007 1HE MET 125 1HE MET 125 -10.569 4.206 -12.705 1008 2HE MET 125 2HE MET 125 -11.586 4.109 -14.163 1009 3HE MET 125 3HE MET 125 -10.436 5.454 -13.968 1010 H LYS 126 H LYS 126 -14.317 10.457 -12.118 1011 HA LYS 126 HA LYS 126 -14.421 12.246 -14.393 1012 1HB LYS 126 1HB LYS 126 -16.312 10.668 -12.833 1013 2HB LYS 126 2HB LYS 126 -16.876 12.311 -13.064 1014 1HG LYS 126 1HG LYS 126 -15.684 11.201 -15.522 1015 2HG LYS 126 2HG LYS 126 -17.018 10.224 -14.944 1016 1HD LYS 126 1HD LYS 126 -17.330 13.235 -15.070 1017 2HD LYS 126 2HD LYS 126 -17.478 12.294 -16.541 1018 1HE LYS 126 1HE LYS 126 -19.635 11.876 -15.969 1019 2HE LYS 126 2HE LYS 126 -19.035 10.870 -14.665 1020 1HZ LYS 126 1HZ LYS 126 -19.512 12.432 -13.176 1021 2HZ LYS 126 2HZ LYS 126 -18.990 13.674 -14.101 1022 3HZ LYS 126 3HZ LYS 126 -20.489 13.064 -14.321 1023 H LYS 127 H LYS 127 -12.554 13.159 -12.562 1024 HA LYS 127 HA LYS 127 -13.937 15.539 -11.582 1025 1HB LYS 127 1HB LYS 127 -12.227 13.660 -9.965 1026 2HB LYS 127 2HB LYS 127 -12.290 15.364 -9.567 1027 1HG LYS 127 1HG LYS 127 -14.654 15.302 -9.152 1028 2HG LYS 127 2HG LYS 127 -14.844 13.763 -9.970 1029 1HD LYS 127 1HD LYS 127 -14.315 12.579 -8.095 1030 2HD LYS 127 2HD LYS 127 -12.906 13.568 -7.767 1031 1HE LYS 127 1HE LYS 127 -14.312 15.306 -6.715 1032 2HE LYS 127 2HE LYS 127 -15.770 14.434 -7.146 1033 1HZ LYS 127 1HZ LYS 127 -13.965 12.781 -5.743 1034 2HZ LYS 127 2HZ LYS 127 -14.321 14.118 -4.876 1035 3HZ LYS 127 3HZ LYS 127 -15.520 13.139 -5.397 1036 H SER 128 H SER 128 -10.632 14.031 -11.796 1037 HA SER 128 HA SER 128 -8.723 14.871 -12.430 1038 1HB SER 128 1HB SER 128 -10.428 16.147 -14.617 1039 2HB SER 128 2HB SER 128 -8.689 15.936 -14.695 1040 HG SER 128 HG SER 128 -10.111 13.584 -14.085 1041 H GLY 129 H GLY 129 -8.437 16.244 -10.528 1042 1HA GLY 129 1HA GLY 129 -9.343 18.976 -10.588 1043 2HA GLY 129 2HA GLY 129 -8.337 18.202 -9.379 1044 HA PRO 130 HA PRO 130 -5.439 20.828 -11.532 1045 1HB PRO 130 1HB PRO 130 -3.937 21.493 -9.348 1046 2HB PRO 130 2HB PRO 130 -5.318 22.431 -9.884 1047 1HG PRO 130 1HG PRO 130 -5.111 20.589 -7.581 1048 2HG PRO 130 2HG PRO 130 -6.305 21.835 -7.887 1049 1HD PRO 130 1HD PRO 130 -6.653 19.006 -8.214 1050 2HD PRO 130 2HD PRO 130 -7.807 20.260 -8.628 1051 H SER 131 H SER 131 -3.050 20.813 -11.877 1052 HA SER 131 HA SER 131 -2.338 18.091 -12.093 1053 1HB SER 131 1HB SER 131 -1.112 20.733 -12.835 1054 2HB SER 131 2HB SER 131 -0.042 19.349 -12.747 1055 HG SER 131 HG SER 131 -2.124 18.434 -14.095 1056 H SER 132 H SER 132 -1.290 16.846 -10.582 1057 HA SER 132 HA SER 132 0.769 17.902 -9.008 1058 1HB SER 132 1HB SER 132 -1.363 18.777 -7.836 1059 2HB SER 132 2HB SER 132 -1.701 17.109 -7.416 1060 HG SER 132 HG SER 132 0.539 18.736 -6.606 1061 H GLY 133 H GLY 133 -1.892 15.413 -8.888 1062 1HA GLY 133 1HA GLY 133 -1.110 13.185 -9.729 1063 2HA GLY 133 2HA GLY 133 0.200 13.345 -8.576 Start of MODEL 15 1 H GLY 1 H GLY 1 -25.721 -1.196 10.745 2 1HA GLY 1 1HA GLY 1 -24.887 -1.826 13.103 3 2HA GLY 1 2HA GLY 1 -23.723 -1.729 11.797 4 H SER 2 H SER 2 -21.962 -1.135 13.161 5 HA SER 2 HA SER 2 -21.984 1.663 13.793 6 1HB SER 2 1HB SER 2 -22.464 -0.249 15.840 7 2HB SER 2 2HB SER 2 -20.796 0.244 16.048 8 HG SER 2 HG SER 2 -22.610 1.559 17.115 9 H SER 3 H SER 3 -20.240 -1.509 13.972 10 HA SER 3 HA SER 3 -18.233 -2.106 13.404 11 1HB SER 3 1HB SER 3 -18.199 0.508 11.834 12 2HB SER 3 2HB SER 3 -16.954 -0.719 11.704 13 HG SER 3 HG SER 3 -18.221 -1.557 10.195 14 H GLY 4 H GLY 4 -17.598 1.469 13.414 15 1HA GLY 4 1HA GLY 4 -16.828 2.090 15.853 16 2HA GLY 4 2HA GLY 4 -15.496 1.046 15.401 17 H SER 5 H SER 5 -14.304 3.199 15.781 18 HA SER 5 HA SER 5 -14.695 5.281 13.968 19 1HB SER 5 1HB SER 5 -13.278 4.969 16.283 20 2HB SER 5 2HB SER 5 -11.967 4.871 15.125 21 HG SER 5 HG SER 5 -13.910 6.983 14.928 22 H SER 6 H SER 6 -13.073 6.002 12.275 23 HA SER 6 HA SER 6 -11.999 5.669 10.420 24 1HB SER 6 1HB SER 6 -10.494 4.330 12.366 25 2HB SER 6 2HB SER 6 -10.621 3.147 11.080 26 HG SER 6 HG SER 6 -10.084 5.458 9.847 27 H GLY 7 H GLY 7 -11.780 4.204 8.441 28 1HA GLY 7 1HA GLY 7 -13.060 1.683 8.356 29 2HA GLY 7 2HA GLY 7 -14.184 2.932 7.857 30 H MET 8 H MET 8 -13.791 4.171 5.928 31 HA MET 8 HA MET 8 -11.525 3.218 4.367 32 1HB MET 8 1HB MET 8 -13.522 2.014 3.561 33 2HB MET 8 2HB MET 8 -14.456 3.496 3.513 34 1HG MET 8 1HG MET 8 -13.870 3.401 1.273 35 2HG MET 8 2HG MET 8 -12.468 4.272 1.860 36 1HE MET 8 1HE MET 8 -9.652 2.247 0.816 37 2HE MET 8 2HE MET 8 -10.473 3.816 0.998 38 3HE MET 8 3HE MET 8 -10.007 2.882 2.440 39 H GLU 9 H GLU 9 -14.283 5.597 4.354 40 HA GLU 9 HA GLU 9 -12.992 7.428 2.743 41 1HB GLU 9 1HB GLU 9 -15.494 7.191 3.923 42 2HB GLU 9 2HB GLU 9 -14.832 8.580 4.763 43 1HG GLU 9 1HG GLU 9 -14.289 9.650 2.566 44 2HG GLU 9 2HG GLU 9 -14.948 8.262 1.725 45 H ALA 10 H ALA 10 -12.323 6.473 5.977 46 HA ALA 10 HA ALA 10 -11.129 9.047 6.656 47 1HB ALA 10 1HB ALA 10 -11.154 6.561 8.379 48 2HB ALA 10 2HB ALA 10 -11.113 8.270 8.875 49 3HB ALA 10 3HB ALA 10 -12.610 7.571 8.212 50 H VAL 11 H VAL 11 -10.320 5.574 6.086 51 HA VAL 11 HA VAL 11 -7.608 5.764 6.649 52 HB VAL 11 HB VAL 11 -9.316 3.975 4.949 53 1HG1 VAL 11 1HG1 VAL 11 -7.283 2.498 4.691 54 2HG1 VAL 11 2HG1 VAL 11 -7.270 3.984 3.712 55 3HG1 VAL 11 3HG1 VAL 11 -6.295 3.889 5.198 56 1HG2 VAL 11 1HG2 VAL 11 -9.043 2.404 6.661 57 2HG2 VAL 11 2HG2 VAL 11 -7.586 3.204 7.297 58 3HG2 VAL 11 3HG2 VAL 11 -9.185 3.947 7.536 59 H LEU 12 H LEU 12 -9.466 6.364 3.612 60 HA LEU 12 HA LEU 12 -7.124 6.889 2.096 61 1HB LEU 12 1HB LEU 12 -9.643 6.220 1.481 62 2HB LEU 12 2HB LEU 12 -9.772 7.956 1.275 63 HG LEU 12 HG LEU 12 -7.802 7.844 -0.293 64 1HD1 LEU 12 1HD1 LEU 12 -7.432 5.322 0.731 65 2HD1 LEU 12 2HD1 LEU 12 -8.179 4.990 -0.851 66 3HD1 LEU 12 3HD1 LEU 12 -6.690 5.962 -0.755 67 1HD2 LEU 12 1HD2 LEU 12 -9.554 8.068 -1.658 68 2HD2 LEU 12 2HD2 LEU 12 -9.380 6.323 -1.964 69 3HD2 LEU 12 3HD2 LEU 12 -10.536 6.900 -0.740 70 H ASN 13 H ASN 13 -9.504 8.857 3.936 71 HA ASN 13 HA ASN 13 -8.669 11.313 3.044 72 1HB ASN 13 1HB ASN 13 -10.203 10.224 5.330 73 2HB ASN 13 2HB ASN 13 -9.352 11.696 5.755 74 1HD2 ASN 13 1HD2 ASN 13 -10.856 10.533 2.743 75 2HD2 ASN 13 2HD2 ASN 13 -11.931 11.870 2.502 76 H GLU 14 H GLU 14 -8.118 10.286 6.471 77 HA GLU 14 HA GLU 14 -6.036 11.855 7.010 78 1HB GLU 14 1HB GLU 14 -7.318 9.700 8.255 79 2HB GLU 14 2HB GLU 14 -5.648 9.173 8.175 80 1HG GLU 14 1HG GLU 14 -6.039 12.012 9.022 81 2HG GLU 14 2HG GLU 14 -6.658 10.813 10.141 82 H LEU 15 H LEU 15 -3.674 11.570 7.125 83 HA LEU 15 HA LEU 15 -2.708 9.670 5.101 84 1HB LEU 15 1HB LEU 15 -0.920 11.394 4.669 85 2HB LEU 15 2HB LEU 15 -2.529 11.739 4.065 86 HG LEU 15 HG LEU 15 -2.772 13.071 6.334 87 1HD1 LEU 15 1HD1 LEU 15 -0.333 14.188 6.550 88 2HD1 LEU 15 2HD1 LEU 15 -0.892 12.837 7.565 89 3HD1 LEU 15 3HD1 LEU 15 0.137 12.519 6.148 90 1HD2 LEU 15 1HD2 LEU 15 -2.886 14.769 4.913 91 2HD2 LEU 15 2HD2 LEU 15 -1.121 14.750 4.681 92 3HD2 LEU 15 3HD2 LEU 15 -2.164 13.730 3.660 93 H VAL 16 H VAL 16 -0.130 9.487 5.433 94 HA VAL 16 HA VAL 16 0.125 8.411 8.078 95 HB VAL 16 HB VAL 16 1.226 7.978 5.515 96 1HG1 VAL 16 1HG1 VAL 16 3.584 8.026 5.790 97 2HG1 VAL 16 2HG1 VAL 16 2.999 9.624 6.310 98 3HG1 VAL 16 3HG1 VAL 16 3.451 8.404 7.524 99 1HG2 VAL 16 1HG2 VAL 16 1.167 6.674 8.174 100 2HG2 VAL 16 2HG2 VAL 16 0.805 6.016 6.559 101 3HG2 VAL 16 3HG2 VAL 16 2.495 6.167 7.101 102 H SER 17 H SER 17 1.819 8.996 9.610 103 HA SER 17 HA SER 17 2.457 11.827 9.354 104 1HB SER 17 1HB SER 17 2.608 10.328 11.971 105 2HB SER 17 2HB SER 17 2.302 12.031 11.695 106 HG SER 17 HG SER 17 0.218 11.589 11.764 107 H VAL 18 H VAL 18 4.619 12.496 9.470 108 HA VAL 18 HA VAL 18 6.627 10.831 8.754 109 HB VAL 18 HB VAL 18 6.820 13.295 10.499 110 1HG1 VAL 18 1HG1 VAL 18 8.965 12.384 10.547 111 2HG1 VAL 18 2HG1 VAL 18 8.844 11.746 8.891 112 3HG1 VAL 18 3HG1 VAL 18 9.042 13.493 9.157 113 1HG2 VAL 18 1HG2 VAL 18 6.516 12.922 7.516 114 2HG2 VAL 18 2HG2 VAL 18 5.577 13.958 8.618 115 3HG2 VAL 18 3HG2 VAL 18 7.255 14.386 8.207 116 H GLU 19 H GLU 19 5.415 11.539 12.060 117 HA GLU 19 HA GLU 19 7.453 10.385 13.470 118 1HB GLU 19 1HB GLU 19 4.669 11.174 13.946 119 2HB GLU 19 2HB GLU 19 5.098 9.763 14.894 120 1HG GLU 19 1HG GLU 19 6.045 11.223 16.363 121 2HG GLU 19 2HG GLU 19 7.353 11.363 15.205 122 H ASP 20 H ASP 20 4.404 8.863 12.214 123 HA ASP 20 HA ASP 20 5.015 6.336 13.185 124 1HB ASP 20 1HB ASP 20 3.140 7.511 11.158 125 2HB ASP 20 2HB ASP 20 3.435 5.789 11.023 126 H LEU 21 H LEU 21 5.236 7.803 9.850 127 HA LEU 21 HA LEU 21 6.316 5.684 8.517 128 1HB LEU 21 1HB LEU 21 5.523 7.932 7.659 129 2HB LEU 21 2HB LEU 21 7.103 8.562 8.080 130 HG LEU 21 HG LEU 21 6.879 7.994 5.687 131 1HD1 LEU 21 1HD1 LEU 21 9.059 7.845 7.087 132 2HD1 LEU 21 2HD1 LEU 21 8.894 6.088 6.847 133 3HD1 LEU 21 3HD1 LEU 21 9.030 7.170 5.440 134 1HD2 LEU 21 1HD2 LEU 21 5.455 5.837 6.440 135 2HD2 LEU 21 2HD2 LEU 21 6.273 5.978 4.865 136 3HD2 LEU 21 3HD2 LEU 21 7.044 5.075 6.192 137 H LYS 22 H LYS 22 7.942 8.071 10.656 138 HA LYS 22 HA LYS 22 10.552 7.201 10.069 139 1HB LYS 22 1HB LYS 22 9.232 8.924 12.112 140 2HB LYS 22 2HB LYS 22 10.813 8.287 12.518 141 1HG LYS 22 1HG LYS 22 10.640 9.324 9.742 142 2HG LYS 22 2HG LYS 22 10.338 10.547 10.961 143 1HD LYS 22 1HD LYS 22 12.491 9.594 12.135 144 2HD LYS 22 2HD LYS 22 12.822 8.839 10.589 145 1HE LYS 22 1HE LYS 22 13.685 10.796 9.836 146 2HE LYS 22 2HE LYS 22 12.105 11.539 9.996 147 1HZ LYS 22 1HZ LYS 22 13.134 11.392 12.529 148 2HZ LYS 22 2HZ LYS 22 14.374 11.900 11.596 149 3HZ LYS 22 3HZ LYS 22 12.970 12.733 11.612 150 H ASN 23 H ASN 23 8.183 6.346 12.669 151 HA ASN 23 HA ASN 23 9.833 4.666 14.058 152 1HB ASN 23 1HB ASN 23 6.884 5.041 13.733 153 2HB ASN 23 2HB ASN 23 7.347 3.453 14.312 154 1HD2 ASN 23 1HD2 ASN 23 6.383 3.891 16.302 155 2HD2 ASN 23 2HD2 ASN 23 7.132 4.886 17.506 156 H PHE 24 H PHE 24 7.403 3.930 11.439 157 HA PHE 24 HA PHE 24 8.051 1.197 11.295 158 1HB PHE 24 1HB PHE 24 6.665 3.309 9.577 159 2HB PHE 24 2HB PHE 24 6.904 1.705 8.912 160 HD1 PHE 24 1HD PHE 24 5.475 3.416 11.899 161 HD2 PHE 24 2HD PHE 24 5.319 0.057 9.310 162 HE1 PHE 24 1HE PHE 24 3.386 2.629 13.046 163 HE2 PHE 24 2HE PHE 24 3.229 -0.730 10.456 164 HZ PHE 24 HZ PHE 24 2.287 0.565 12.310 165 H GLU 25 H GLU 25 9.530 4.109 9.986 166 HA GLU 25 HA GLU 25 10.778 2.807 7.813 167 1HB GLU 25 1HB GLU 25 10.546 5.118 7.499 168 2HB GLU 25 2HB GLU 25 11.000 5.502 9.148 169 1HG GLU 25 1HG GLU 25 13.343 5.003 8.710 170 2HG GLU 25 2HG GLU 25 12.967 4.305 7.147 171 H ARG 26 H ARG 26 11.779 3.798 11.146 172 HA ARG 26 HA ARG 26 14.415 3.103 10.915 173 1HB ARG 26 1HB ARG 26 14.179 4.115 12.956 174 2HB ARG 26 2HB ARG 26 12.491 3.656 13.078 175 1HG ARG 26 1HG ARG 26 13.044 1.475 13.966 176 2HG ARG 26 2HG ARG 26 14.736 1.647 13.540 177 1HD ARG 26 1HD ARG 26 15.109 2.470 15.624 178 2HD ARG 26 2HD ARG 26 14.193 3.895 15.174 179 HE ARG 26 HE ARG 26 12.257 1.985 15.848 180 1HH1 ARG 26 1HH1 ARG 26 14.978 3.512 17.475 181 2HH1 ARG 26 2HH1 ARG 26 14.270 3.385 19.051 182 1HH2 ARG 26 1HH2 ARG 26 11.323 1.818 17.927 183 2HH2 ARG 26 2HH2 ARG 26 12.178 2.414 19.310 184 H LYS 27 H LYS 27 11.499 1.137 11.659 185 HA LYS 27 HA LYS 27 12.857 -1.173 12.481 186 1HB LYS 27 1HB LYS 27 10.273 -0.350 12.479 187 2HB LYS 27 2HB LYS 27 10.233 -1.455 11.118 188 1HG LYS 27 1HG LYS 27 10.536 -3.305 12.442 189 2HG LYS 27 2HG LYS 27 11.736 -2.517 13.446 190 1HD LYS 27 1HD LYS 27 9.908 -1.256 14.621 191 2HD LYS 27 2HD LYS 27 8.717 -2.076 13.631 192 1HE LYS 27 1HE LYS 27 8.949 -4.090 14.759 193 2HE LYS 27 2HE LYS 27 10.661 -3.859 15.049 194 1HZ LYS 27 1HZ LYS 27 10.237 -2.540 16.859 195 2HZ LYS 27 2HZ LYS 27 8.721 -2.150 16.398 196 3HZ LYS 27 3HZ LYS 27 9.037 -3.641 16.980 197 H PHE 28 H PHE 28 11.419 -0.258 9.271 198 HA PHE 28 HA PHE 28 12.142 -2.478 7.876 199 1HB PHE 28 1HB PHE 28 10.821 -0.343 7.205 200 2HB PHE 28 2HB PHE 28 12.365 0.453 6.970 201 HD1 PHE 28 1HD PHE 28 13.606 0.144 4.977 202 HD2 PHE 28 2HD PHE 28 10.226 -2.303 5.746 203 HE1 PHE 28 1HE PHE 28 13.688 -0.710 2.619 204 HE2 PHE 28 2HE PHE 28 10.307 -3.157 3.387 205 HZ PHE 28 HZ PHE 28 12.037 -2.350 1.852 206 H GLN 29 H GLN 29 14.084 0.591 8.140 207 HA GLN 29 HA GLN 29 16.238 -0.321 6.732 208 1HB GLN 29 1HB GLN 29 15.956 1.728 8.953 209 2HB GLN 29 2HB GLN 29 17.511 1.425 8.204 210 1HG GLN 29 1HG GLN 29 16.375 1.830 5.934 211 2HG GLN 29 2HG GLN 29 14.962 2.370 6.819 212 1HE2 GLN 29 1HE2 GLN 29 14.869 4.477 6.584 213 2HE2 GLN 29 2HE2 GLN 29 16.138 5.616 6.891 214 H SER 30 H SER 30 16.087 -0.036 10.363 215 HA SER 30 HA SER 30 18.329 -1.319 10.978 216 1HB SER 30 1HB SER 30 16.327 -0.356 12.444 217 2HB SER 30 2HB SER 30 15.839 -2.036 12.532 218 HG SER 30 HG SER 30 18.203 -0.781 13.552 219 H GLU 31 H GLU 31 15.096 -2.940 10.541 220 HA GLU 31 HA GLU 31 15.894 -5.490 10.944 221 1HB GLU 31 1HB GLU 31 13.791 -4.310 9.096 222 2HB GLU 31 2HB GLU 31 13.991 -6.044 9.251 223 1HG GLU 31 1HG GLU 31 13.699 -4.315 11.730 224 2HG GLU 31 2HG GLU 31 12.281 -4.805 10.824 225 H GLN 32 H GLN 32 16.367 -3.424 8.071 226 HA GLN 32 HA GLN 32 17.046 -5.458 6.309 227 1HB GLN 32 1HB GLN 32 16.591 -2.833 6.016 228 2HB GLN 32 2HB GLN 32 18.338 -2.743 6.102 229 1HG GLN 32 1HG GLN 32 18.561 -4.332 4.228 230 2HG GLN 32 2HG GLN 32 16.829 -4.589 4.193 231 1HE2 GLN 32 1HE2 GLN 32 19.076 -3.302 2.448 232 2HE2 GLN 32 2HE2 GLN 32 18.346 -1.857 1.831 233 H ALA 33 H ALA 33 19.198 -3.173 8.160 234 HA ALA 33 HA ALA 33 21.550 -4.563 7.478 235 1HB ALA 33 1HB ALA 33 22.239 -2.540 8.190 236 2HB ALA 33 2HB ALA 33 20.714 -2.249 9.060 237 3HB ALA 33 3HB ALA 33 22.030 -3.153 9.848 238 H ALA 34 H ALA 34 18.934 -5.366 9.528 239 HA ALA 34 HA ALA 34 20.393 -6.644 11.600 240 1HB ALA 34 1HB ALA 34 17.649 -7.571 10.924 241 2HB ALA 34 2HB ALA 34 18.320 -7.015 12.476 242 3HB ALA 34 3HB ALA 34 17.818 -5.829 11.247 243 H GLY 35 H GLY 35 19.158 -7.560 8.371 244 1HA GLY 35 1HA GLY 35 20.893 -9.498 7.749 245 2HA GLY 35 2HA GLY 35 19.779 -10.366 8.787 246 H SER 36 H SER 36 17.420 -8.668 8.030 247 HA SER 36 HA SER 36 17.021 -8.547 5.345 248 1HB SER 36 1HB SER 36 16.743 -11.306 6.434 249 2HB SER 36 2HB SER 36 15.397 -10.769 5.449 250 HG SER 36 HG SER 36 16.996 -10.185 3.773 251 H VAL 37 H VAL 37 15.133 -7.366 5.093 252 HA VAL 37 HA VAL 37 13.625 -6.745 7.399 253 HB VAL 37 HB VAL 37 13.344 -6.136 4.457 254 1HG1 VAL 37 1HG1 VAL 37 11.268 -5.375 4.745 255 2HG1 VAL 37 2HG1 VAL 37 11.282 -5.999 6.412 256 3HG1 VAL 37 3HG1 VAL 37 11.811 -4.331 6.080 257 1HG2 VAL 37 1HG2 VAL 37 14.975 -4.692 4.991 258 2HG2 VAL 37 2HG2 VAL 37 13.715 -3.776 5.852 259 3HG2 VAL 37 3HG2 VAL 37 14.738 -4.931 6.738 260 H SER 38 H SER 38 11.768 -7.626 8.204 261 HA SER 38 HA SER 38 10.906 -10.055 7.010 262 1HB SER 38 1HB SER 38 9.826 -8.498 9.402 263 2HB SER 38 2HB SER 38 9.320 -10.117 8.958 264 HG SER 38 HG SER 38 11.021 -10.883 9.992 265 H LYS 39 H LYS 39 8.742 -10.510 6.200 266 HA LYS 39 HA LYS 39 7.717 -8.705 4.454 267 1HB LYS 39 1HB LYS 39 6.334 -10.973 5.910 268 2HB LYS 39 2HB LYS 39 5.631 -10.113 4.556 269 1HG LYS 39 1HG LYS 39 7.968 -10.673 3.384 270 2HG LYS 39 2HG LYS 39 8.045 -11.935 4.599 271 1HD LYS 39 1HD LYS 39 5.381 -11.904 3.434 272 2HD LYS 39 2HD LYS 39 6.568 -11.950 2.144 273 1HE LYS 39 1HE LYS 39 6.104 -14.247 2.744 274 2HE LYS 39 2HE LYS 39 7.708 -13.883 3.349 275 1HZ LYS 39 1HZ LYS 39 6.999 -14.338 5.364 276 2HZ LYS 39 2HZ LYS 39 5.836 -13.193 5.290 277 3HZ LYS 39 3HZ LYS 39 5.515 -14.715 4.794 278 H SER 40 H SER 40 6.506 -9.359 7.815 279 HA SER 40 HA SER 40 4.454 -7.710 7.951 280 1HB SER 40 1HB SER 40 6.458 -8.700 9.843 281 2HB SER 40 2HB SER 40 5.859 -7.129 10.336 282 HG SER 40 HG SER 40 4.648 -9.503 10.636 283 H THR 41 H THR 41 7.824 -6.608 8.808 284 HA THR 41 HA THR 41 7.220 -3.904 8.946 285 HB THR 41 HB THR 41 9.838 -5.270 8.122 286 HG1 THR 41 1HG THR 41 8.581 -4.545 10.676 287 1HG2 THR 41 1HG2 THR 41 9.153 -2.611 9.473 288 2HG2 THR 41 2HG2 THR 41 10.772 -3.349 9.552 289 3HG2 THR 41 3HG2 THR 41 10.097 -2.849 7.983 290 H GLN 42 H GLN 42 8.138 -5.928 6.120 291 HA GLN 42 HA GLN 42 8.562 -3.894 4.352 292 1HB GLN 42 1HB GLN 42 8.912 -6.408 4.030 293 2HB GLN 42 2HB GLN 42 7.199 -6.535 3.680 294 1HG GLN 42 1HG GLN 42 7.374 -5.356 1.659 295 2HG GLN 42 2HG GLN 42 8.787 -4.459 2.176 296 1HE2 GLN 42 1HE2 GLN 42 9.010 -5.387 -0.216 297 2HE2 GLN 42 2HE2 GLN 42 10.008 -6.797 -0.345 298 H PHE 43 H PHE 43 5.481 -5.822 4.637 299 HA PHE 43 HA PHE 43 3.989 -4.080 3.068 300 1HB PHE 43 1HB PHE 43 3.017 -6.206 3.444 301 2HB PHE 43 2HB PHE 43 3.592 -6.280 5.098 302 HD1 PHE 43 1HD PHE 43 2.280 -5.371 6.914 303 HD2 PHE 43 2HD PHE 43 0.918 -5.067 2.907 304 HE1 PHE 43 1HE PHE 43 -0.009 -4.751 7.740 305 HE2 PHE 43 2HE PHE 43 -1.371 -4.448 3.732 306 HZ PHE 43 HZ PHE 43 -1.807 -4.297 6.138 307 H GLU 44 H GLU 44 4.567 -4.207 6.625 308 HA GLU 44 HA GLU 44 2.648 -2.399 7.363 309 1HB GLU 44 1HB GLU 44 5.352 -3.134 8.526 310 2HB GLU 44 2HB GLU 44 4.348 -1.924 9.300 311 1HG GLU 44 1HG GLU 44 2.914 -4.430 8.555 312 2HG GLU 44 2HG GLU 44 4.166 -4.641 9.764 313 H TYR 45 H TYR 45 6.202 -1.641 7.109 314 HA TYR 45 HA TYR 45 5.971 1.081 7.188 315 1HB TYR 45 1HB TYR 45 8.124 -0.082 7.282 316 2HB TYR 45 2HB TYR 45 7.804 -0.937 5.786 317 HD1 TYR 45 1HD TYR 45 8.109 2.620 6.967 318 HD2 TYR 45 2HD TYR 45 8.978 -0.247 3.913 319 HE1 TYR 45 1HE TYR 45 9.409 4.380 5.675 320 HE2 TYR 45 2HE TYR 45 10.276 1.523 2.631 321 HH TYR 45 HH TYR 45 9.956 4.639 3.040 322 H ALA 46 H ALA 46 5.367 -1.142 4.465 323 HA ALA 46 HA ALA 46 5.442 0.840 2.455 324 1HB ALA 46 1HB ALA 46 3.957 -1.817 2.505 325 2HB ALA 46 2HB ALA 46 4.461 -0.897 1.067 326 3HB ALA 46 3HB ALA 46 5.685 -1.636 2.125 327 H TRP 47 H TRP 47 2.876 -0.524 4.583 328 HA TRP 47 HA TRP 47 0.729 0.756 3.316 329 1HB TRP 47 1HB TRP 47 0.420 -1.127 4.791 330 2HB TRP 47 2HB TRP 47 1.089 -0.240 6.146 331 HD1 TRP 47 HD TRP 47 -0.865 0.422 7.735 332 HE1 TRP 47 1HE TRP 47 -3.344 1.313 7.571 333 HE3 TRP 47 3HE TRP 47 -1.098 0.388 2.656 334 HZ2 TRP 47 2HZ TRP 47 -5.085 1.891 5.384 335 HZ3 TRP 47 3HZ TRP 47 -3.223 1.130 1.586 336 HH2 TRP 47 HH TRP 47 -5.173 1.864 2.864 337 H CYS 48 H CYS 48 3.175 1.747 5.727 338 HA CYS 48 HA CYS 48 1.833 4.084 6.538 339 1HB CYS 48 1HB CYS 48 4.794 3.425 6.664 340 2HB CYS 48 2HB CYS 48 3.995 4.722 7.530 341 HG CYS 48 HG CYS 48 4.172 1.562 8.033 342 H LEU 49 H LEU 49 3.982 3.150 3.851 343 HA LEU 49 HA LEU 49 4.631 5.796 3.073 344 1HB LEU 49 1HB LEU 49 4.923 3.056 1.928 345 2HB LEU 49 2HB LEU 49 5.098 4.429 0.855 346 HG LEU 49 HG LEU 49 6.703 4.025 3.393 347 1HD1 LEU 49 1HD1 LEU 49 8.558 3.692 1.550 348 2HD1 LEU 49 2HD1 LEU 49 7.547 2.333 2.100 349 3HD1 LEU 49 3HD1 LEU 49 7.172 3.159 0.568 350 1HD2 LEU 49 1HD2 LEU 49 6.237 6.371 2.058 351 2HD2 LEU 49 2HD2 LEU 49 7.664 6.020 3.063 352 3HD2 LEU 49 3HD2 LEU 49 7.742 5.804 1.298 353 H VAL 50 H VAL 50 2.214 3.346 1.937 354 HA VAL 50 HA VAL 50 1.105 5.100 0.014 355 HB VAL 50 HB VAL 50 -0.698 3.398 -0.052 356 1HG1 VAL 50 1HG1 VAL 50 0.609 1.728 -1.097 357 2HG1 VAL 50 2HG1 VAL 50 1.538 3.235 -1.283 358 3HG1 VAL 50 3HG1 VAL 50 2.009 2.046 -0.044 359 1HG2 VAL 50 1HG2 VAL 50 -1.060 2.429 1.975 360 2HG2 VAL 50 2HG2 VAL 50 0.101 1.238 1.341 361 3HG2 VAL 50 3HG2 VAL 50 0.652 2.517 2.450 362 H ARG 51 H ARG 51 1.267 6.850 1.963 363 HA ARG 51 HA ARG 51 -1.397 7.502 2.447 364 1HB ARG 51 1HB ARG 51 0.070 6.071 4.607 365 2HB ARG 51 2HB ARG 51 -0.660 7.575 5.133 366 1HG ARG 51 1HG ARG 51 -2.772 6.722 5.010 367 2HG ARG 51 2HG ARG 51 -2.492 6.028 3.426 368 1HD ARG 51 1HD ARG 51 -2.964 4.352 5.321 369 2HD ARG 51 2HD ARG 51 -1.550 4.017 4.340 370 HE ARG 51 HE ARG 51 -0.201 4.381 6.213 371 1HH1 ARG 51 1HH1 ARG 51 -3.348 5.853 6.773 372 2HH1 ARG 51 2HH1 ARG 51 -3.004 6.264 8.421 373 1HH2 ARG 51 1HH2 ARG 51 0.252 4.922 8.387 374 2HH2 ARG 51 2HH2 ARG 51 -0.943 5.730 9.345 375 H SER 52 H SER 52 2.075 7.839 3.314 376 HA SER 52 HA SER 52 2.285 10.139 4.531 377 1HB SER 52 1HB SER 52 4.268 8.997 3.808 378 2HB SER 52 2HB SER 52 3.841 9.152 2.116 379 HG SER 52 HG SER 52 4.314 11.463 3.781 380 H LYS 53 H LYS 53 2.237 12.418 4.073 381 HA LYS 53 HA LYS 53 0.228 13.261 2.377 382 1HB LYS 53 1HB LYS 53 1.266 15.546 2.761 383 2HB LYS 53 2HB LYS 53 0.803 14.644 4.189 384 1HG LYS 53 1HG LYS 53 2.946 14.563 4.946 385 2HG LYS 53 2HG LYS 53 3.542 13.971 3.408 386 1HD LYS 53 1HD LYS 53 2.965 16.894 4.089 387 2HD LYS 53 2HD LYS 53 4.555 16.166 3.972 388 1HE LYS 53 1HE LYS 53 4.544 16.180 1.668 389 2HE LYS 53 2HE LYS 53 2.849 15.748 1.567 390 1HZ LYS 53 1HZ LYS 53 2.268 17.988 2.085 391 2HZ LYS 53 2HZ LYS 53 3.825 18.414 2.327 392 3HZ LYS 53 3HZ LYS 53 3.313 18.006 0.831 393 H TYR 54 H TYR 54 3.609 12.495 1.746 394 HA TYR 54 HA TYR 54 3.688 13.940 -0.734 395 1HB TYR 54 1HB TYR 54 5.355 11.916 0.847 396 2HB TYR 54 2HB TYR 54 5.814 12.282 -0.804 397 HD1 TYR 54 1HD TYR 54 6.991 14.283 -1.346 398 HD2 TYR 54 2HD TYR 54 5.330 13.778 2.565 399 HE1 TYR 54 1HE TYR 54 8.270 16.323 -0.532 400 HE2 TYR 54 2HE TYR 54 6.615 15.820 3.366 401 HH TYR 54 HH TYR 54 8.617 17.039 2.754 402 H ASN 55 H ASN 55 3.864 12.980 -2.859 403 HA ASN 55 HA ASN 55 2.203 10.642 -3.041 404 1HB ASN 55 1HB ASN 55 3.417 12.282 -5.320 405 2HB ASN 55 2HB ASN 55 2.046 11.196 -5.426 406 1HD2 ASN 55 1HD2 ASN 55 0.117 12.049 -5.346 407 2HD2 ASN 55 2HD2 ASN 55 -0.327 13.584 -4.677 408 H GLU 56 H GLU 56 5.545 11.791 -3.567 409 HA GLU 56 HA GLU 56 6.355 9.572 -5.095 410 1HB GLU 56 1HB GLU 56 7.798 11.789 -3.618 411 2HB GLU 56 2HB GLU 56 8.705 10.468 -4.327 412 1HG GLU 56 1HG GLU 56 7.060 11.097 -6.433 413 2HG GLU 56 2HG GLU 56 7.192 12.670 -5.672 414 H ASP 57 H ASP 57 5.762 10.119 -1.710 415 HA ASP 57 HA ASP 57 7.583 8.091 -0.857 416 1HB ASP 57 1HB ASP 57 5.325 9.491 0.652 417 2HB ASP 57 2HB ASP 57 6.577 8.509 1.386 418 H ILE 58 H ILE 58 4.476 8.259 -2.290 419 HA ILE 58 HA ILE 58 3.366 6.002 -0.866 420 HB ILE 58 HB ILE 58 2.418 7.906 -2.970 421 1HG1 ILE 58 1HG1 ILE 58 1.038 7.028 -0.432 422 2HG1 ILE 58 2HG1 ILE 58 2.280 8.265 -0.420 423 1HG2 ILE 58 1HG2 ILE 58 0.260 6.241 -2.567 424 2HG2 ILE 58 2HG2 ILE 58 1.295 6.284 -4.014 425 3HG2 ILE 58 3HG2 ILE 58 1.619 5.101 -2.724 426 1HD1 ILE 58 1HD1 ILE 58 0.857 9.325 -2.396 427 2HD1 ILE 58 2HD1 ILE 58 -0.449 8.325 -1.715 428 3HD1 ILE 58 3HD1 ILE 58 0.347 9.557 -0.706 429 H ARG 59 H ARG 59 4.668 6.814 -4.138 430 HA ARG 59 HA ARG 59 4.185 4.703 -5.563 431 1HB ARG 59 1HB ARG 59 6.119 6.675 -5.641 432 2HB ARG 59 2HB ARG 59 7.124 5.250 -5.461 433 1HG ARG 59 1HG ARG 59 5.789 4.207 -7.403 434 2HG ARG 59 2HG ARG 59 5.069 5.785 -7.650 435 1HD ARG 59 1HD ARG 59 7.219 6.795 -8.150 436 2HD ARG 59 2HD ARG 59 8.092 5.383 -7.586 437 HE ARG 59 HE ARG 59 6.373 4.485 -9.647 438 1HH1 ARG 59 1HH1 ARG 59 9.103 6.679 -9.300 439 2HH1 ARG 59 2HH1 ARG 59 9.654 6.454 -10.926 440 1HH2 ARG 59 1HH2 ARG 59 7.101 4.188 -11.793 441 2HH2 ARG 59 2HH2 ARG 59 8.508 5.028 -12.354 442 H ARG 60 H ARG 60 7.224 4.718 -3.546 443 HA ARG 60 HA ARG 60 7.879 2.160 -3.764 444 1HB ARG 60 1HB ARG 60 8.543 2.512 -1.144 445 2HB ARG 60 2HB ARG 60 9.430 3.265 -2.454 446 1HG ARG 60 1HG ARG 60 7.041 4.814 -1.635 447 2HG ARG 60 2HG ARG 60 8.200 4.609 -0.338 448 1HD ARG 60 1HD ARG 60 8.807 5.733 -3.116 449 2HD ARG 60 2HD ARG 60 8.700 6.662 -1.635 450 HE ARG 60 HE ARG 60 10.759 5.667 -0.864 451 1HH1 ARG 60 1HH1 ARG 60 9.835 4.605 -4.089 452 2HH1 ARG 60 2HH1 ARG 60 11.411 4.002 -4.480 453 1HH2 ARG 60 1HH2 ARG 60 12.838 4.871 -1.379 454 2HH2 ARG 60 2HH2 ARG 60 13.130 4.154 -2.929 455 H GLY 61 H GLY 61 5.783 3.489 -1.091 456 1HA GLY 61 1HA GLY 61 5.112 1.362 0.344 457 2HA GLY 61 2HA GLY 61 3.929 2.558 -0.146 458 H ILE 62 H ILE 62 4.230 1.878 -3.080 459 HA ILE 62 HA ILE 62 2.317 -0.257 -3.074 460 HB ILE 62 HB ILE 62 3.577 1.303 -5.333 461 1HG1 ILE 62 1HG1 ILE 62 0.899 1.687 -3.962 462 2HG1 ILE 62 2HG1 ILE 62 2.314 2.686 -3.697 463 1HG2 ILE 62 1HG2 ILE 62 2.576 -0.087 -6.737 464 2HG2 ILE 62 2HG2 ILE 62 1.990 -1.067 -5.371 465 3HG2 ILE 62 3HG2 ILE 62 1.004 0.280 -5.988 466 1HD1 ILE 62 1HD1 ILE 62 2.074 2.610 -6.498 467 2HD1 ILE 62 2HD1 ILE 62 0.397 2.736 -5.914 468 3HD1 ILE 62 3HD1 ILE 62 1.601 3.956 -5.436 469 H VAL 63 H VAL 63 5.449 0.237 -4.860 470 HA VAL 63 HA VAL 63 5.858 -2.197 -5.836 471 HB VAL 63 HB VAL 63 8.089 -1.673 -5.960 472 1HG1 VAL 63 1HG1 VAL 63 7.138 1.088 -5.207 473 2HG1 VAL 63 2HG1 VAL 63 8.218 0.586 -6.531 474 3HG1 VAL 63 3HG1 VAL 63 6.473 0.248 -6.629 475 1HG2 VAL 63 1HG2 VAL 63 9.387 -0.471 -4.289 476 2HG2 VAL 63 2HG2 VAL 63 7.922 -0.172 -3.325 477 3HG2 VAL 63 3HG2 VAL 63 8.531 -1.832 -3.526 478 H LEU 64 H LEU 64 6.662 -1.250 -2.423 479 HA LEU 64 HA LEU 64 7.600 -3.683 -1.584 480 1HB LEU 64 1HB LEU 64 5.903 -1.946 0.176 481 2HB LEU 64 2HB LEU 64 7.314 -2.899 0.590 482 HG LEU 64 HG LEU 64 7.215 -0.269 -0.894 483 1HD1 LEU 64 1HD1 LEU 64 8.840 0.361 0.944 484 2HD1 LEU 64 2HD1 LEU 64 7.160 0.058 1.448 485 3HD1 LEU 64 3HD1 LEU 64 8.410 -1.178 1.730 486 1HD2 LEU 64 1HD2 LEU 64 9.879 -1.425 -0.403 487 2HD2 LEU 64 2HD2 LEU 64 8.916 -2.270 -1.639 488 3HD2 LEU 64 3HD2 LEU 64 9.247 -0.529 -1.806 489 H LEU 65 H LEU 65 4.189 -2.457 -1.267 490 HA LEU 65 HA LEU 65 3.168 -4.882 -0.362 491 1HB LEU 65 1HB LEU 65 1.732 -2.718 -1.901 492 2HB LEU 65 2HB LEU 65 1.002 -3.936 -0.875 493 HG LEU 65 HG LEU 65 3.023 -2.056 0.305 494 1HD1 LEU 65 1HD1 LEU 65 0.111 -1.297 0.164 495 2HD1 LEU 65 2HD1 LEU 65 1.517 -0.302 0.613 496 3HD1 LEU 65 3HD1 LEU 65 1.271 -0.782 -1.083 497 1HD2 LEU 65 1HD2 LEU 65 0.496 -3.042 1.598 498 2HD2 LEU 65 2HD2 LEU 65 1.915 -4.107 1.457 499 3HD2 LEU 65 3HD2 LEU 65 2.043 -2.566 2.338 500 H GLU 66 H GLU 66 3.866 -3.637 -3.631 501 HA GLU 66 HA GLU 66 2.404 -5.673 -4.923 502 1HB GLU 66 1HB GLU 66 4.393 -3.565 -5.763 503 2HB GLU 66 2HB GLU 66 4.020 -4.856 -6.888 504 1HG GLU 66 1HG GLU 66 1.588 -4.328 -6.707 505 2HG GLU 66 2HG GLU 66 1.940 -3.057 -5.552 506 H GLU 67 H GLU 67 5.346 -5.642 -3.177 507 HA GLU 67 HA GLU 67 6.533 -7.719 -4.784 508 1HB GLU 67 1HB GLU 67 7.434 -6.054 -2.426 509 2HB GLU 67 2HB GLU 67 8.283 -7.541 -2.799 510 1HG GLU 67 1HG GLU 67 7.985 -6.262 -5.304 511 2HG GLU 67 2HG GLU 67 8.360 -4.958 -4.195 512 H LEU 68 H LEU 68 4.920 -7.200 -1.622 513 HA LEU 68 HA LEU 68 5.377 -9.928 -0.823 514 1HB LEU 68 1HB LEU 68 3.579 -7.878 0.464 515 2HB LEU 68 2HB LEU 68 4.245 -9.329 1.186 516 HG LEU 68 HG LEU 68 6.344 -7.562 0.195 517 1HD1 LEU 68 1HD1 LEU 68 4.108 -6.326 1.613 518 2HD1 LEU 68 2HD1 LEU 68 5.667 -6.104 2.442 519 3HD1 LEU 68 3HD1 LEU 68 5.477 -5.583 0.750 520 1HD2 LEU 68 1HD2 LEU 68 6.566 -9.506 1.774 521 2HD2 LEU 68 2HD2 LEU 68 7.334 -7.994 2.316 522 3HD2 LEU 68 3HD2 LEU 68 5.777 -8.503 3.014 523 H LEU 69 H LEU 69 3.318 -8.348 -2.998 524 HA LEU 69 HA LEU 69 0.915 -9.737 -2.447 525 1HB LEU 69 1HB LEU 69 1.816 -7.688 -4.162 526 2HB LEU 69 2HB LEU 69 1.192 -8.953 -5.202 527 HG LEU 69 HG LEU 69 -0.468 -8.089 -2.863 528 1HD1 LEU 69 1HD1 LEU 69 -0.029 -6.468 -5.375 529 2HD1 LEU 69 2HD1 LEU 69 -1.502 -6.334 -4.384 530 3HD1 LEU 69 3HD1 LEU 69 0.085 -5.946 -3.677 531 1HD2 LEU 69 1HD2 LEU 69 -0.852 -9.940 -4.804 532 2HD2 LEU 69 2HD2 LEU 69 -2.165 -9.098 -3.946 533 3HD2 LEU 69 3HD2 LEU 69 -1.635 -8.523 -5.545 534 HA PRO 70 HA PRO 70 2.459 -12.692 -5.773 535 1HB PRO 70 1HB PRO 70 4.906 -12.353 -6.942 536 2HB PRO 70 2HB PRO 70 3.419 -11.745 -7.640 537 1HG PRO 70 1HG PRO 70 5.559 -10.254 -6.249 538 2HG PRO 70 2HG PRO 70 4.303 -9.640 -7.306 539 1HD PRO 70 1HD PRO 70 4.371 -9.468 -4.444 540 2HD PRO 70 2HD PRO 70 3.063 -8.960 -5.494 541 H LYS 71 H LYS 71 4.228 -11.661 -3.168 542 HA LYS 71 HA LYS 71 5.390 -14.350 -2.934 543 1HB LYS 71 1HB LYS 71 6.539 -11.826 -1.722 544 2HB LYS 71 2HB LYS 71 7.264 -13.420 -1.766 545 1HG LYS 71 1HG LYS 71 7.333 -13.307 -4.273 546 2HG LYS 71 2HG LYS 71 6.633 -11.701 -4.214 547 1HD LYS 71 1HD LYS 71 8.582 -10.852 -2.952 548 2HD LYS 71 2HD LYS 71 9.263 -12.464 -2.859 549 1HE LYS 71 1HE LYS 71 9.188 -12.454 -5.469 550 2HE LYS 71 2HE LYS 71 8.911 -10.730 -5.336 551 1HZ LYS 71 1HZ LYS 71 11.224 -12.209 -4.297 552 2HZ LYS 71 2HZ LYS 71 11.218 -11.117 -5.511 553 3HZ LYS 71 3HZ LYS 71 10.943 -10.633 -3.976 554 H GLY 72 H GLY 72 2.683 -13.088 -2.182 555 1HA GLY 72 1HA GLY 72 2.859 -13.591 0.729 556 2HA GLY 72 2HA GLY 72 1.734 -12.478 -0.023 557 H SER 73 H SER 73 0.071 -13.804 1.155 558 HA SER 73 HA SER 73 -0.351 -16.395 -0.064 559 1HB SER 73 1HB SER 73 -0.868 -15.226 2.541 560 2HB SER 73 2HB SER 73 -2.376 -15.816 1.871 561 HG SER 73 HG SER 73 -0.898 -17.356 3.148 562 H LYS 74 H LYS 74 -3.089 -16.722 0.018 563 HA LYS 74 HA LYS 74 -3.910 -15.005 -2.133 564 1HB LYS 74 1HB LYS 74 -4.695 -17.596 -0.998 565 2HB LYS 74 2HB LYS 74 -6.063 -16.616 -1.484 566 1HG LYS 74 1HG LYS 74 -4.915 -16.237 -3.724 567 2HG LYS 74 2HG LYS 74 -3.668 -17.363 -3.227 568 1HD LYS 74 1HD LYS 74 -6.393 -18.445 -2.836 569 2HD LYS 74 2HD LYS 74 -6.069 -18.031 -4.507 570 1HE LYS 74 1HE LYS 74 -3.780 -19.411 -3.266 571 2HE LYS 74 2HE LYS 74 -5.243 -20.373 -3.177 572 1HZ LYS 74 1HZ LYS 74 -4.175 -19.153 -5.629 573 2HZ LYS 74 2HZ LYS 74 -4.060 -20.732 -5.227 574 3HZ LYS 74 3HZ LYS 74 -5.522 -20.074 -5.539 575 H GLU 75 H GLU 75 -5.579 -15.983 0.945 576 HA GLU 75 HA GLU 75 -7.338 -13.890 0.904 577 1HB GLU 75 1HB GLU 75 -7.668 -14.391 3.331 578 2HB GLU 75 2HB GLU 75 -7.660 -15.835 2.338 579 1HG GLU 75 1HG GLU 75 -5.699 -16.624 3.254 580 2HG GLU 75 2HG GLU 75 -4.975 -15.031 3.344 581 H GLU 76 H GLU 76 -3.929 -13.892 1.559 582 HA GLU 76 HA GLU 76 -4.023 -11.566 3.214 583 1HB GLU 76 1HB GLU 76 -1.755 -13.155 1.950 584 2HB GLU 76 2HB GLU 76 -1.468 -11.693 2.872 585 1HG GLU 76 1HG GLU 76 -3.151 -13.925 4.055 586 2HG GLU 76 2HG GLU 76 -1.402 -14.030 4.097 587 H GLN 77 H GLN 77 -3.670 -12.389 -0.217 588 HA GLN 77 HA GLN 77 -2.473 -10.035 -1.050 589 1HB GLN 77 1HB GLN 77 -3.925 -12.305 -2.291 590 2HB GLN 77 2HB GLN 77 -4.044 -10.812 -3.200 591 1HG GLN 77 1HG GLN 77 -1.463 -10.621 -2.900 592 2HG GLN 77 2HG GLN 77 -1.515 -12.293 -2.375 593 1HE2 GLN 77 1HE2 GLN 77 -0.214 -12.817 -4.169 594 2HE2 GLN 77 2HE2 GLN 77 -0.875 -13.003 -5.759 595 H ARG 78 H ARG 78 -5.759 -10.792 -0.034 596 HA ARG 78 HA ARG 78 -7.076 -8.786 -1.400 597 1HB ARG 78 1HB ARG 78 -7.610 -10.292 1.185 598 2HB ARG 78 2HB ARG 78 -8.688 -9.000 0.696 599 1HG ARG 78 1HG ARG 78 -9.710 -10.861 -0.302 600 2HG ARG 78 2HG ARG 78 -8.748 -10.241 -1.629 601 1HD ARG 78 1HD ARG 78 -7.412 -12.096 -1.675 602 2HD ARG 78 2HD ARG 78 -7.203 -12.096 0.065 603 HE ARG 78 HE ARG 78 -8.964 -13.800 -1.371 604 1HH1 ARG 78 1HH1 ARG 78 -9.046 -11.721 1.466 605 2HH1 ARG 78 2HH1 ARG 78 -10.272 -12.645 2.266 606 1HH2 ARG 78 1HH2 ARG 78 -10.582 -15.020 -0.317 607 2HH2 ARG 78 2HH2 ARG 78 -11.152 -14.535 1.246 608 H ASP 79 H ASP 79 -5.092 -8.808 1.554 609 HA ASP 79 HA ASP 79 -6.011 -6.320 2.495 610 1HB ASP 79 1HB ASP 79 -4.232 -8.401 3.344 611 2HB ASP 79 2HB ASP 79 -3.287 -6.925 3.326 612 H TYR 80 H TYR 80 -3.429 -7.524 0.324 613 HA TYR 80 HA TYR 80 -1.938 -5.113 0.246 614 1HB TYR 80 1HB TYR 80 -2.301 -7.549 -1.606 615 2HB TYR 80 2HB TYR 80 -1.044 -6.354 -1.854 616 HD1 TYR 80 1HD TYR 80 -0.690 -9.370 -1.398 617 HD2 TYR 80 2HD TYR 80 -0.578 -6.026 1.268 618 HE1 TYR 80 1HE TYR 80 0.848 -10.657 0.164 619 HE2 TYR 80 2HE TYR 80 0.960 -7.325 2.821 620 HH TYR 80 HH TYR 80 1.513 -9.578 3.332 621 H VAL 81 H VAL 81 -3.879 -6.708 -2.386 622 HA VAL 81 HA VAL 81 -3.943 -4.713 -4.164 623 HB VAL 81 HB VAL 81 -6.255 -6.480 -3.338 624 1HG1 VAL 81 1HG1 VAL 81 -5.807 -4.677 -5.693 625 2HG1 VAL 81 2HG1 VAL 81 -6.690 -6.204 -5.927 626 3HG1 VAL 81 3HG1 VAL 81 -7.292 -4.997 -4.766 627 1HG2 VAL 81 1HG2 VAL 81 -5.369 -7.839 -5.346 628 2HG2 VAL 81 2HG2 VAL 81 -3.865 -6.910 -5.132 629 3HG2 VAL 81 3HG2 VAL 81 -4.474 -7.933 -3.810 630 H PHE 82 H PHE 82 -5.916 -4.944 -1.159 631 HA PHE 82 HA PHE 82 -7.582 -2.796 -1.635 632 1HB PHE 82 1HB PHE 82 -7.699 -4.493 0.239 633 2HB PHE 82 2HB PHE 82 -6.231 -3.832 0.930 634 HD1 PHE 82 1HD PHE 82 -6.923 -3.032 3.008 635 HD2 PHE 82 2HD PHE 82 -9.151 -1.985 -0.447 636 HE1 PHE 82 1HE PHE 82 -8.287 -1.429 4.375 637 HE2 PHE 82 2HE PHE 82 -10.517 -0.381 0.920 638 HZ PHE 82 HZ PHE 82 -10.068 -0.123 3.314 639 H TYR 83 H TYR 83 -4.311 -2.898 -0.076 640 HA TYR 83 HA TYR 83 -4.299 -0.085 0.393 641 1HB TYR 83 1HB TYR 83 -2.334 -2.440 0.396 642 2HB TYR 83 2HB TYR 83 -1.743 -0.817 0.692 643 HD1 TYR 83 1HD TYR 83 -0.999 -2.184 2.842 644 HD2 TYR 83 2HD TYR 83 -5.028 -1.042 1.963 645 HE1 TYR 83 1HE TYR 83 -1.608 -2.411 5.301 646 HE2 TYR 83 2HE TYR 83 -5.623 -1.274 4.425 647 HH TYR 83 HH TYR 83 -3.624 -2.847 6.621 648 H LEU 84 H LEU 84 -2.950 -2.310 -2.103 649 HA LEU 84 HA LEU 84 -1.300 -0.505 -3.378 650 1HB LEU 84 1HB LEU 84 -2.722 -3.008 -4.116 651 2HB LEU 84 2HB LEU 84 -2.084 -2.033 -5.425 652 HG LEU 84 HG LEU 84 0.162 -2.100 -4.234 653 1HD1 LEU 84 1HD1 LEU 84 0.366 -4.203 -2.741 654 2HD1 LEU 84 2HD1 LEU 84 -0.280 -2.702 -2.034 655 3HD1 LEU 84 3HD1 LEU 84 -1.388 -4.014 -2.505 656 1HD2 LEU 84 1HD2 LEU 84 0.592 -4.503 -4.965 657 2HD2 LEU 84 2HD2 LEU 84 -1.134 -4.568 -5.392 658 3HD2 LEU 84 3HD2 LEU 84 -0.065 -3.389 -6.188 659 H ALA 85 H ALA 85 -4.847 -0.951 -3.533 660 HA ALA 85 HA ALA 85 -5.132 0.853 -5.737 661 1HB ALA 85 1HB ALA 85 -7.504 0.489 -5.392 662 2HB ALA 85 2HB ALA 85 -6.667 -1.071 -5.207 663 3HB ALA 85 3HB ALA 85 -7.212 -0.177 -3.767 664 H VAL 86 H VAL 86 -4.806 1.067 -2.247 665 HA VAL 86 HA VAL 86 -6.071 3.637 -2.067 666 HB VAL 86 HB VAL 86 -4.562 1.811 -0.223 667 1HG1 VAL 86 1HG1 VAL 86 -3.772 4.107 0.258 668 2HG1 VAL 86 2HG1 VAL 86 -5.460 4.628 0.476 669 3HG1 VAL 86 3HG1 VAL 86 -4.746 3.433 1.586 670 1HG2 VAL 86 1HG2 VAL 86 -7.281 3.068 0.180 671 2HG2 VAL 86 2HG2 VAL 86 -7.063 1.602 -0.807 672 3HG2 VAL 86 3HG2 VAL 86 -6.609 1.593 0.914 673 H GLY 87 H GLY 87 -2.709 2.310 -2.134 674 1HA GLY 87 1HA GLY 87 -1.451 4.845 -1.858 675 2HA GLY 87 2HA GLY 87 -0.716 3.340 -2.374 676 H ASN 88 H ASN 88 -2.806 2.985 -4.576 677 HA ASN 88 HA ASN 88 -1.331 4.381 -6.534 678 1HB ASN 88 1HB ASN 88 -3.489 2.330 -6.434 679 2HB ASN 88 2HB ASN 88 -3.608 3.393 -7.822 680 1HD2 ASN 88 1HD2 ASN 88 -1.717 0.999 -6.155 681 2HD2 ASN 88 2HD2 ASN 88 -0.595 0.632 -7.421 682 H TYR 89 H TYR 89 -4.810 4.361 -5.434 683 HA TYR 89 HA TYR 89 -5.889 6.266 -6.991 684 1HB TYR 89 1HB TYR 89 -7.258 5.213 -5.324 685 2HB TYR 89 2HB TYR 89 -6.057 5.438 -4.069 686 HD1 TYR 89 1HD TYR 89 -6.074 7.377 -2.663 687 HD2 TYR 89 2HD TYR 89 -8.694 7.152 -6.037 688 HE1 TYR 89 1HE TYR 89 -7.349 9.406 -1.817 689 HE2 TYR 89 2HE TYR 89 -9.961 9.182 -5.179 690 HH TYR 89 HH TYR 89 -8.769 11.244 -2.961 691 H ARG 90 H ARG 90 -3.930 6.848 -3.997 692 HA ARG 90 HA ARG 90 -4.258 9.516 -3.822 693 1HB ARG 90 1HB ARG 90 -2.707 7.655 -2.539 694 2HB ARG 90 2HB ARG 90 -1.456 8.514 -3.416 695 1HG ARG 90 1HG ARG 90 -3.547 9.915 -1.688 696 2HG ARG 90 2HG ARG 90 -1.976 9.427 -1.085 697 1HD ARG 90 1HD ARG 90 -1.003 10.781 -3.114 698 2HD ARG 90 2HD ARG 90 -2.600 11.493 -3.228 699 HE ARG 90 HE ARG 90 -1.432 11.551 -0.523 700 1HH1 ARG 90 1HH1 ARG 90 -1.831 13.263 -3.573 701 2HH1 ARG 90 2HH1 ARG 90 -1.505 14.820 -2.888 702 1HH2 ARG 90 1HH2 ARG 90 -1.002 13.605 0.379 703 2HH2 ARG 90 2HH2 ARG 90 -1.030 15.016 -0.625 704 H LEU 91 H LEU 91 -2.218 7.638 -6.081 705 HA LEU 91 HA LEU 91 -1.001 10.068 -7.104 706 1HB LEU 91 1HB LEU 91 -0.608 7.140 -7.727 707 2HB LEU 91 2HB LEU 91 0.211 8.435 -8.577 708 HG LEU 91 HG LEU 91 1.530 9.002 -6.744 709 1HD1 LEU 91 1HD1 LEU 91 -0.169 9.293 -5.070 710 2HD1 LEU 91 2HD1 LEU 91 -0.448 7.536 -4.980 711 3HD1 LEU 91 3HD1 LEU 91 1.097 8.223 -4.422 712 1HD2 LEU 91 1HD2 LEU 91 1.107 6.006 -6.613 713 2HD2 LEU 91 2HD2 LEU 91 2.255 6.892 -7.645 714 3HD2 LEU 91 3HD2 LEU 91 2.477 6.875 -5.879 715 H LYS 92 H LYS 92 -3.974 9.468 -7.263 716 HA LYS 92 HA LYS 92 -5.625 9.565 -8.728 717 1HB LYS 92 1HB LYS 92 -5.441 11.176 -10.449 718 2HB LYS 92 2HB LYS 92 -4.384 11.719 -9.162 719 1HG LYS 92 1HG LYS 92 -2.424 11.197 -10.351 720 2HG LYS 92 2HG LYS 92 -3.205 9.954 -11.307 721 1HD LYS 92 1HD LYS 92 -4.630 12.018 -12.245 722 2HD LYS 92 2HD LYS 92 -3.256 12.951 -11.687 723 1HE LYS 92 1HE LYS 92 -2.883 10.490 -13.440 724 2HE LYS 92 2HE LYS 92 -3.212 12.062 -14.141 725 1HZ LYS 92 1HZ LYS 92 -1.116 12.598 -13.827 726 2HZ LYS 92 2HZ LYS 92 -1.202 12.312 -12.221 727 3HZ LYS 92 3HZ LYS 92 -0.796 11.107 -13.245 728 H GLU 93 H GLU 93 -3.484 7.301 -8.845 729 HA GLU 93 HA GLU 93 -3.641 6.503 -11.576 730 1HB GLU 93 1HB GLU 93 -2.543 5.211 -9.053 731 2HB GLU 93 2HB GLU 93 -2.583 4.350 -10.579 732 1HG GLU 93 1HG GLU 93 -1.322 7.113 -10.323 733 2HG GLU 93 2HG GLU 93 -0.412 5.648 -10.010 734 H TYR 94 H TYR 94 -6.223 6.905 -10.956 735 HA TYR 94 HA TYR 94 -7.684 5.038 -9.631 736 1HB TYR 94 1HB TYR 94 -8.282 6.162 -12.432 737 2HB TYR 94 2HB TYR 94 -9.463 5.796 -11.190 738 HD1 TYR 94 1HD TYR 94 -7.987 7.075 -8.834 739 HD2 TYR 94 2HD TYR 94 -8.783 8.454 -12.804 740 HE1 TYR 94 1HE TYR 94 -7.879 9.484 -8.027 741 HE2 TYR 94 2HE TYR 94 -8.674 10.858 -11.985 742 HH TYR 94 HH TYR 94 -7.627 12.084 -10.145 743 H GLU 95 H GLU 95 -6.731 4.897 -13.141 744 HA GLU 95 HA GLU 95 -7.898 2.668 -13.910 745 1HB GLU 95 1HB GLU 95 -5.046 3.585 -14.428 746 2HB GLU 95 2HB GLU 95 -5.730 2.202 -15.258 747 1HG GLU 95 1HG GLU 95 -7.610 3.635 -16.091 748 2HG GLU 95 2HG GLU 95 -6.915 5.018 -15.269 749 H LYS 96 H LYS 96 -4.591 2.622 -12.375 750 HA LYS 96 HA LYS 96 -4.527 -0.152 -12.089 751 1HB LYS 96 1HB LYS 96 -3.048 2.062 -10.642 752 2HB LYS 96 2HB LYS 96 -2.683 0.360 -10.447 753 1HG LYS 96 1HG LYS 96 -2.356 0.201 -12.962 754 2HG LYS 96 2HG LYS 96 -2.579 1.936 -13.061 755 1HD LYS 96 1HD LYS 96 -0.523 2.405 -12.094 756 2HD LYS 96 2HD LYS 96 -0.562 0.994 -11.056 757 1HE LYS 96 1HE LYS 96 0.985 0.153 -12.523 758 2HE LYS 96 2HE LYS 96 -0.411 -0.228 -13.511 759 1HZ LYS 96 1HZ LYS 96 0.049 2.319 -14.146 760 2HZ LYS 96 2HZ LYS 96 1.573 1.789 -13.892 761 3HZ LYS 96 3HZ LYS 96 0.621 1.043 -14.990 762 H ALA 97 H ALA 97 -5.357 2.457 -9.702 763 HA ALA 97 HA ALA 97 -5.845 1.025 -7.498 764 1HB ALA 97 1HB ALA 97 -6.134 3.430 -7.604 765 2HB ALA 97 2HB ALA 97 -7.518 3.260 -8.710 766 3HB ALA 97 3HB ALA 97 -7.653 2.709 -7.023 767 H LEU 98 H LEU 98 -8.449 1.684 -9.958 768 HA LEU 98 HA LEU 98 -10.259 -0.111 -8.900 769 1HB LEU 98 1HB LEU 98 -9.865 1.293 -11.479 770 2HB LEU 98 2HB LEU 98 -10.928 -0.099 -11.508 771 HG LEU 98 HG LEU 98 -12.200 1.939 -11.193 772 1HD1 LEU 98 1HD1 LEU 98 -12.188 -0.247 -9.250 773 2HD1 LEU 98 2HD1 LEU 98 -12.934 1.243 -8.625 774 3HD1 LEU 98 3HD1 LEU 98 -13.540 0.507 -10.129 775 1HD2 LEU 98 1HD2 LEU 98 -11.527 3.651 -9.953 776 2HD2 LEU 98 2HD2 LEU 98 -11.437 2.633 -8.496 777 3HD2 LEU 98 3HD2 LEU 98 -10.038 2.745 -9.593 778 H LYS 99 H LYS 99 -8.039 -0.605 -11.740 779 HA LYS 99 HA LYS 99 -8.549 -3.141 -12.358 780 1HB LYS 99 1HB LYS 99 -6.849 -1.708 -13.428 781 2HB LYS 99 2HB LYS 99 -5.781 -1.938 -12.058 782 1HG LYS 99 1HG LYS 99 -5.607 -4.331 -12.486 783 2HG LYS 99 2HG LYS 99 -6.892 -4.272 -13.676 784 1HD LYS 99 1HD LYS 99 -5.411 -2.651 -15.025 785 2HD LYS 99 2HD LYS 99 -4.115 -3.032 -13.909 786 1HE LYS 99 1HE LYS 99 -4.837 -5.565 -14.521 787 2HE LYS 99 2HE LYS 99 -5.420 -4.790 -15.980 788 1HZ LYS 99 1HZ LYS 99 -2.990 -3.698 -15.629 789 2HZ LYS 99 2HZ LYS 99 -2.745 -5.236 -15.136 790 3HZ LYS 99 3HZ LYS 99 -3.326 -4.942 -16.633 791 H TYR 100 H TYR 100 -7.059 -1.987 -9.348 792 HA TYR 100 HA TYR 100 -6.434 -4.708 -8.542 793 1HB TYR 100 1HB TYR 100 -5.835 -1.864 -7.839 794 2HB TYR 100 2HB TYR 100 -6.092 -2.855 -6.416 795 HD1 TYR 100 1HD TYR 100 -4.919 -5.452 -7.283 796 HD2 TYR 100 2HD TYR 100 -3.530 -1.447 -7.862 797 HE1 TYR 100 1HE TYR 100 -2.527 -6.298 -7.445 798 HE2 TYR 100 2HE TYR 100 -1.142 -2.305 -8.022 799 HH TYR 100 HH TYR 100 -0.469 -5.776 -7.982 800 H VAL 101 H VAL 101 -8.626 -1.972 -7.659 801 HA VAL 101 HA VAL 101 -9.790 -3.353 -5.483 802 HB VAL 101 HB VAL 101 -10.002 -0.801 -6.843 803 1HG1 VAL 101 1HG1 VAL 101 -12.592 -2.040 -5.851 804 2HG1 VAL 101 2HG1 VAL 101 -12.361 -0.331 -6.289 805 3HG1 VAL 101 3HG1 VAL 101 -12.209 -1.597 -7.532 806 1HG2 VAL 101 1HG2 VAL 101 -9.233 -0.633 -4.683 807 2HG2 VAL 101 2HG2 VAL 101 -10.962 -0.297 -4.423 808 3HG2 VAL 101 3HG2 VAL 101 -10.309 -1.917 -4.079 809 H ARG 102 H ARG 102 -10.776 -2.775 -8.923 810 HA ARG 102 HA ARG 102 -13.194 -3.965 -8.832 811 1HB ARG 102 1HB ARG 102 -11.111 -4.080 -11.071 812 2HB ARG 102 2HB ARG 102 -12.802 -4.488 -11.290 813 1HG ARG 102 1HG ARG 102 -11.712 -1.775 -10.403 814 2HG ARG 102 2HG ARG 102 -12.375 -2.151 -11.981 815 1HD ARG 102 1HD ARG 102 -14.360 -2.979 -10.109 816 2HD ARG 102 2HD ARG 102 -13.785 -1.429 -9.526 817 HE ARG 102 HE ARG 102 -14.711 -0.383 -11.415 818 1HH1 ARG 102 1HH1 ARG 102 -14.622 -3.864 -11.919 819 2HH1 ARG 102 2HH1 ARG 102 -15.576 -3.808 -13.363 820 1HH2 ARG 102 1HH2 ARG 102 -15.970 -0.308 -13.321 821 2HH2 ARG 102 2HH2 ARG 102 -16.347 -1.772 -14.167 822 H GLY 103 H GLY 103 -9.987 -5.523 -9.562 823 1HA GLY 103 1HA GLY 103 -10.981 -8.143 -9.848 824 2HA GLY 103 2HA GLY 103 -9.324 -7.671 -9.529 825 H LEU 104 H LEU 104 -9.931 -6.192 -7.020 826 HA LEU 104 HA LEU 104 -9.795 -8.413 -5.263 827 1HB LEU 104 1HB LEU 104 -8.487 -6.588 -4.682 828 2HB LEU 104 2HB LEU 104 -9.770 -5.432 -4.979 829 HG LEU 104 HG LEU 104 -10.815 -6.955 -2.924 830 1HD1 LEU 104 1HD1 LEU 104 -8.028 -7.483 -2.941 831 2HD1 LEU 104 2HD1 LEU 104 -8.361 -6.416 -1.555 832 3HD1 LEU 104 3HD1 LEU 104 -9.241 -7.953 -1.727 833 1HD2 LEU 104 1HD2 LEU 104 -9.221 -4.599 -2.103 834 2HD2 LEU 104 2HD2 LEU 104 -10.380 -4.336 -3.428 835 3HD2 LEU 104 3HD2 LEU 104 -10.946 -4.970 -1.864 836 H LEU 105 H LEU 105 -12.290 -5.940 -6.081 837 HA LEU 105 HA LEU 105 -14.134 -6.540 -4.150 838 1HB LEU 105 1HB LEU 105 -14.115 -5.303 -6.805 839 2HB LEU 105 2HB LEU 105 -15.659 -6.014 -6.378 840 HG LEU 105 HG LEU 105 -14.183 -4.057 -4.600 841 1HD1 LEU 105 1HD1 LEU 105 -14.799 -3.144 -6.890 842 2HD1 LEU 105 2HD1 LEU 105 -16.499 -3.367 -6.413 843 3HD1 LEU 105 3HD1 LEU 105 -15.449 -2.273 -5.480 844 1HD2 LEU 105 1HD2 LEU 105 -16.409 -3.772 -3.554 845 2HD2 LEU 105 2HD2 LEU 105 -17.038 -5.075 -4.591 846 3HD2 LEU 105 3HD2 LEU 105 -15.769 -5.426 -3.393 847 H GLN 106 H GLN 106 -13.213 -8.365 -7.062 848 HA GLN 106 HA GLN 106 -15.446 -10.006 -7.138 849 1HB GLN 106 1HB GLN 106 -12.739 -9.943 -8.324 850 2HB GLN 106 2HB GLN 106 -13.353 -11.571 -8.113 851 1HG GLN 106 1HG GLN 106 -15.495 -9.906 -9.136 852 2HG GLN 106 2HG GLN 106 -14.074 -9.658 -10.132 853 1HE2 GLN 106 1HE2 GLN 106 -16.289 -10.816 -11.176 854 2HE2 GLN 106 2HE2 GLN 106 -16.026 -12.494 -11.519 855 H THR 107 H THR 107 -12.750 -9.836 -4.930 856 HA THR 107 HA THR 107 -13.539 -12.448 -3.811 857 HB THR 107 HB THR 107 -11.104 -11.886 -4.893 858 HG1 THR 107 1HG THR 107 -11.339 -13.925 -4.007 859 1HG2 THR 107 1HG2 THR 107 -10.843 -11.241 -1.911 860 2HG2 THR 107 2HG2 THR 107 -9.515 -11.371 -3.089 861 3HG2 THR 107 3HG2 THR 107 -10.679 -10.029 -3.204 862 H GLU 108 H GLU 108 -13.570 -9.060 -3.434 863 HA GLU 108 HA GLU 108 -14.154 -9.479 -0.618 864 1HB GLU 108 1HB GLU 108 -12.463 -7.220 -1.776 865 2HB GLU 108 2HB GLU 108 -13.065 -7.247 -0.130 866 1HG GLU 108 1HG GLU 108 -11.201 -9.314 -1.391 867 2HG GLU 108 2HG GLU 108 -10.740 -8.093 -0.221 868 HA PRO 109 HA PRO 109 -17.386 -7.165 -2.878 869 1HB PRO 109 1HB PRO 109 -19.449 -8.930 -2.568 870 2HB PRO 109 2HB PRO 109 -18.446 -8.873 -4.003 871 1HG PRO 109 1HG PRO 109 -18.422 -10.845 -1.801 872 2HG PRO 109 2HG PRO 109 -17.749 -10.991 -3.413 873 1HD PRO 109 1HD PRO 109 -16.301 -10.491 -0.988 874 2HD PRO 109 2HD PRO 109 -15.646 -10.522 -2.614 875 H GLN 110 H GLN 110 -17.759 -9.069 0.056 876 HA GLN 110 HA GLN 110 -19.675 -7.286 1.091 877 1HB GLN 110 1HB GLN 110 -19.577 -8.629 3.080 878 2HB GLN 110 2HB GLN 110 -19.379 -9.729 1.730 879 1HG GLN 110 1HG GLN 110 -16.926 -9.740 2.046 880 2HG GLN 110 2HG GLN 110 -17.055 -8.542 3.319 881 1HE2 GLN 110 1HE2 GLN 110 -16.241 -11.502 3.032 882 2HE2 GLN 110 2HE2 GLN 110 -16.992 -12.291 4.378 883 H ASN 111 H ASN 111 -16.315 -7.028 0.602 884 HA ASN 111 HA ASN 111 -15.717 -5.618 2.985 885 1HB ASN 111 1HB ASN 111 -14.007 -6.878 1.607 886 2HB ASN 111 2HB ASN 111 -14.216 -5.713 0.315 887 1HD2 ASN 111 1HD2 ASN 111 -11.899 -5.449 0.628 888 2HD2 ASN 111 2HD2 ASN 111 -11.309 -4.324 1.804 889 H ASN 112 H ASN 112 -17.369 -3.897 2.970 890 HA ASN 112 HA ASN 112 -18.141 -2.330 0.990 891 1HB ASN 112 1HB ASN 112 -17.311 -1.169 3.696 892 2HB ASN 112 2HB ASN 112 -18.600 -0.594 2.657 893 1HD2 ASN 112 1HD2 ASN 112 -20.502 -1.794 2.416 894 2HD2 ASN 112 2HD2 ASN 112 -21.008 -2.977 3.576 895 H GLN 113 H GLN 113 -15.070 -2.086 2.880 896 HA GLN 113 HA GLN 113 -14.142 0.303 2.072 897 1HB GLN 113 1HB GLN 113 -12.557 -2.284 2.395 898 2HB GLN 113 2HB GLN 113 -11.845 -0.683 2.363 899 1HG GLN 113 1HG GLN 113 -12.719 -0.089 4.455 900 2HG GLN 113 2HG GLN 113 -14.099 -1.159 4.306 901 1HE2 GLN 113 1HE2 GLN 113 -12.637 -1.056 6.602 902 2HE2 GLN 113 2HE2 GLN 113 -11.759 -2.528 6.849 903 H ALA 114 H ALA 114 -14.086 -2.806 0.254 904 HA ALA 114 HA ALA 114 -12.570 -1.738 -1.903 905 1HB ALA 114 1HB ALA 114 -12.553 -3.900 -2.605 906 2HB ALA 114 2HB ALA 114 -13.217 -4.244 -0.990 907 3HB ALA 114 3HB ALA 114 -14.310 -4.088 -2.386 908 H LYS 115 H LYS 115 -16.005 -1.925 -0.998 909 HA LYS 115 HA LYS 115 -16.964 -1.323 -3.607 910 1HB LYS 115 1HB LYS 115 -18.104 -1.666 -0.879 911 2HB LYS 115 2HB LYS 115 -19.028 -0.679 -1.993 912 1HG LYS 115 1HG LYS 115 -18.642 -2.630 -3.710 913 2HG LYS 115 2HG LYS 115 -18.193 -3.584 -2.310 914 1HD LYS 115 1HD LYS 115 -20.357 -3.801 -1.631 915 2HD LYS 115 2HD LYS 115 -20.675 -2.088 -1.824 916 1HE LYS 115 1HE LYS 115 -20.669 -2.640 -4.416 917 2HE LYS 115 2HE LYS 115 -20.908 -4.295 -3.892 918 1HZ LYS 115 1HZ LYS 115 -22.618 -2.010 -3.190 919 2HZ LYS 115 2HZ LYS 115 -22.994 -3.219 -4.221 920 3HZ LYS 115 3HZ LYS 115 -22.824 -3.529 -2.626 921 H GLU 116 H GLU 116 -16.423 0.577 -0.569 922 HA GLU 116 HA GLU 116 -17.346 2.965 -1.544 923 1HB GLU 116 1HB GLU 116 -15.408 2.153 0.613 924 2HB GLU 116 2HB GLU 116 -15.496 3.851 0.190 925 1HG GLU 116 1HG GLU 116 -18.096 2.388 0.615 926 2HG GLU 116 2HG GLU 116 -17.132 2.751 2.033 927 H LEU 117 H LEU 117 -13.876 1.873 -1.316 928 HA LEU 117 HA LEU 117 -12.628 3.903 -2.519 929 1HB LEU 117 1HB LEU 117 -12.056 1.259 -1.887 930 2HB LEU 117 2HB LEU 117 -11.709 1.363 -3.601 931 HG LEU 117 HG LEU 117 -10.367 2.701 -1.294 932 1HD1 LEU 117 1HD1 LEU 117 -9.668 0.958 -3.559 933 2HD1 LEU 117 2HD1 LEU 117 -8.497 2.260 -3.238 934 3HD1 LEU 117 3HD1 LEU 117 -8.928 1.113 -1.947 935 1HD2 LEU 117 1HD2 LEU 117 -9.318 4.118 -3.377 936 2HD2 LEU 117 2HD2 LEU 117 -11.043 4.070 -3.812 937 3HD2 LEU 117 3HD2 LEU 117 -10.541 4.728 -2.237 938 H GLU 118 H GLU 118 -14.018 1.092 -4.364 939 HA GLU 118 HA GLU 118 -13.538 1.865 -6.842 940 1HB GLU 118 1HB GLU 118 -14.787 -0.179 -6.229 941 2HB GLU 118 2HB GLU 118 -16.192 0.778 -5.801 942 1HG GLU 118 1HG GLU 118 -15.195 1.368 -8.525 943 2HG GLU 118 2HG GLU 118 -15.659 -0.309 -8.324 944 H ARG 119 H ARG 119 -16.512 2.912 -5.017 945 HA ARG 119 HA ARG 119 -17.332 4.669 -6.983 946 1HB ARG 119 1HB ARG 119 -17.965 4.181 -4.092 947 2HB ARG 119 2HB ARG 119 -18.425 5.756 -4.709 948 1HG ARG 119 1HG ARG 119 -19.261 4.017 -6.743 949 2HG ARG 119 2HG ARG 119 -19.591 3.101 -5.286 950 1HD ARG 119 1HD ARG 119 -20.560 5.536 -4.503 951 2HD ARG 119 2HD ARG 119 -20.814 5.672 -6.232 952 HE ARG 119 HE ARG 119 -21.729 3.098 -5.279 953 1HH1 ARG 119 1HH1 ARG 119 -22.612 6.502 -5.375 954 2HH1 ARG 119 2HH1 ARG 119 -24.313 6.197 -5.264 955 1HH2 ARG 119 1HH2 ARG 119 -23.973 2.693 -5.133 956 2HH2 ARG 119 2HH2 ARG 119 -25.093 4.015 -5.125 957 H LEU 120 H LEU 120 -15.208 5.043 -4.103 958 HA LEU 120 HA LEU 120 -15.056 7.793 -4.015 959 1HB LEU 120 1HB LEU 120 -13.018 5.668 -3.357 960 2HB LEU 120 2HB LEU 120 -12.802 7.367 -2.986 961 HG LEU 120 HG LEU 120 -15.069 5.647 -1.943 962 1HD1 LEU 120 1HD1 LEU 120 -12.421 5.504 -1.187 963 2HD1 LEU 120 2HD1 LEU 120 -13.117 6.635 -0.002 964 3HD1 LEU 120 3HD1 LEU 120 -13.822 5.013 -0.205 965 1HD2 LEU 120 1HD2 LEU 120 -15.837 7.875 -1.989 966 2HD2 LEU 120 2HD2 LEU 120 -15.302 7.587 -0.317 967 3HD2 LEU 120 3HD2 LEU 120 -14.272 8.516 -1.433 968 H ILE 121 H ILE 121 -12.884 5.481 -5.791 969 HA ILE 121 HA ILE 121 -11.421 7.501 -7.053 970 HB ILE 121 HB ILE 121 -11.909 4.608 -7.763 971 1HG1 ILE 121 1HG1 ILE 121 -9.256 5.343 -6.825 972 2HG1 ILE 121 2HG1 ILE 121 -10.482 5.783 -5.653 973 1HG2 ILE 121 1HG2 ILE 121 -11.241 5.611 -9.794 974 2HG2 ILE 121 2HG2 ILE 121 -10.036 6.640 -8.984 975 3HG2 ILE 121 3HG2 ILE 121 -9.771 4.884 -9.102 976 1HD1 ILE 121 1HD1 ILE 121 -9.666 3.451 -5.315 977 2HD1 ILE 121 2HD1 ILE 121 -11.405 3.490 -5.697 978 3HD1 ILE 121 3HD1 ILE 121 -10.230 3.030 -6.951 979 H ASP 122 H ASP 122 -14.286 5.561 -8.128 980 HA ASP 122 HA ASP 122 -14.531 6.390 -10.639 981 1HB ASP 122 1HB ASP 122 -16.121 5.000 -9.000 982 2HB ASP 122 2HB ASP 122 -16.980 6.520 -8.866 983 H LYS 123 H LYS 123 -15.298 8.203 -7.624 984 HA LYS 123 HA LYS 123 -16.473 10.406 -9.020 985 1HB LYS 123 1HB LYS 123 -15.966 9.613 -6.211 986 2HB LYS 123 2HB LYS 123 -15.947 11.338 -6.516 987 1HG LYS 123 1HG LYS 123 -18.178 11.230 -7.560 988 2HG LYS 123 2HG LYS 123 -18.191 9.482 -7.437 989 1HD LYS 123 1HD LYS 123 -17.833 9.905 -4.851 990 2HD LYS 123 2HD LYS 123 -18.389 11.529 -5.207 991 1HE LYS 123 1HE LYS 123 -20.079 9.404 -6.417 992 2HE LYS 123 2HE LYS 123 -20.039 9.356 -4.665 993 1HZ LYS 123 1HZ LYS 123 -20.816 11.536 -4.554 994 2HZ LYS 123 2HZ LYS 123 -20.525 11.846 -6.132 995 3HZ LYS 123 3HZ LYS 123 -21.737 10.836 -5.707 996 H ALA 124 H ALA 124 -13.295 9.626 -7.503 997 HA ALA 124 HA ALA 124 -12.126 12.111 -7.756 998 1HB ALA 124 1HB ALA 124 -11.389 9.484 -7.032 999 2HB ALA 124 2HB ALA 124 -10.267 9.950 -8.332 1000 3HB ALA 124 3HB ALA 124 -10.408 10.960 -6.872 1001 H MET 125 H MET 125 -12.264 9.366 -10.123 1002 HA MET 125 HA MET 125 -10.712 10.346 -12.068 1003 1HB MET 125 1HB MET 125 -13.445 8.968 -12.294 1004 2HB MET 125 2HB MET 125 -12.342 9.130 -13.647 1005 1HG MET 125 1HG MET 125 -10.635 7.791 -12.510 1006 2HG MET 125 2HG MET 125 -11.553 7.790 -11.018 1007 1HE MET 125 1HE MET 125 -11.074 4.471 -12.311 1008 2HE MET 125 2HE MET 125 -11.287 4.848 -14.038 1009 3HE MET 125 3HE MET 125 -10.220 5.857 -13.031 1010 H LYS 126 H LYS 126 -14.186 11.194 -11.484 1011 HA LYS 126 HA LYS 126 -14.275 12.975 -13.700 1012 1HB LYS 126 1HB LYS 126 -16.102 11.824 -11.801 1013 2HB LYS 126 2HB LYS 126 -16.339 13.559 -11.835 1014 1HG LYS 126 1HG LYS 126 -15.962 12.399 -14.533 1015 2HG LYS 126 2HG LYS 126 -17.353 11.737 -13.698 1016 1HD LYS 126 1HD LYS 126 -18.353 13.910 -13.406 1017 2HD LYS 126 2HD LYS 126 -16.864 14.739 -13.813 1018 1HE LYS 126 1HE LYS 126 -17.012 13.983 -16.149 1019 2HE LYS 126 2HE LYS 126 -18.390 12.966 -15.778 1020 1HZ LYS 126 1HZ LYS 126 -19.096 15.030 -16.718 1021 2HZ LYS 126 2HZ LYS 126 -19.602 14.965 -15.167 1022 3HZ LYS 126 3HZ LYS 126 -18.322 15.897 -15.570 1023 H LYS 127 H LYS 127 -13.720 13.263 -10.157 1024 HA LYS 127 HA LYS 127 -13.724 16.079 -10.143 1025 1HB LYS 127 1HB LYS 127 -12.578 14.016 -8.242 1026 2HB LYS 127 2HB LYS 127 -12.554 15.738 -7.925 1027 1HG LYS 127 1HG LYS 127 -14.856 15.865 -7.608 1028 2HG LYS 127 2HG LYS 127 -15.197 14.578 -8.747 1029 1HD LYS 127 1HD LYS 127 -14.741 12.871 -7.173 1030 2HD LYS 127 2HD LYS 127 -13.739 13.910 -6.180 1031 1HE LYS 127 1HE LYS 127 -16.516 14.903 -6.418 1032 2HE LYS 127 2HE LYS 127 -16.432 13.300 -5.714 1033 1HZ LYS 127 1HZ LYS 127 -15.135 15.742 -4.760 1034 2HZ LYS 127 2HZ LYS 127 -16.175 14.768 -3.961 1035 3HZ LYS 127 3HZ LYS 127 -14.648 14.268 -4.252 1036 H SER 128 H SER 128 -12.486 16.678 -12.029 1037 HA SER 128 HA SER 128 -9.904 17.355 -11.446 1038 1HB SER 128 1HB SER 128 -8.639 15.857 -13.041 1039 2HB SER 128 2HB SER 128 -9.225 15.044 -11.603 1040 HG SER 128 HG SER 128 -11.218 14.650 -13.179 1041 H GLY 129 H GLY 129 -8.932 18.604 -13.226 1042 1HA GLY 129 1HA GLY 129 -10.820 19.055 -15.461 1043 2HA GLY 129 2HA GLY 129 -9.970 20.342 -14.631 1044 HA PRO 130 HA PRO 130 -7.389 18.466 -18.050 1045 1HB PRO 130 1HB PRO 130 -8.117 19.898 -20.261 1046 2HB PRO 130 2HB PRO 130 -8.728 18.293 -19.916 1047 1HG PRO 130 1HG PRO 130 -10.100 20.897 -19.639 1048 2HG PRO 130 2HG PRO 130 -10.797 19.290 -19.713 1049 1HD PRO 130 1HD PRO 130 -10.455 20.906 -17.368 1050 2HD PRO 130 2HD PRO 130 -11.044 19.257 -17.427 1051 H SER 131 H SER 131 -5.980 19.532 -16.473 1052 HA SER 131 HA SER 131 -5.470 22.274 -17.078 1053 1HB SER 131 1HB SER 131 -4.959 20.452 -14.899 1054 2HB SER 131 2HB SER 131 -3.428 21.146 -15.393 1055 HG SER 131 HG SER 131 -5.739 22.820 -15.005 1056 H SER 132 H SER 132 -4.659 22.326 -19.234 1057 HA SER 132 HA SER 132 -2.540 20.570 -19.949 1058 1HB SER 132 1HB SER 132 -4.440 21.713 -21.424 1059 2HB SER 132 2HB SER 132 -3.283 23.022 -21.549 1060 HG SER 132 HG SER 132 -3.333 20.888 -23.068 1061 H GLY 133 H GLY 133 -2.880 24.195 -19.733 1062 1HA GLY 133 1HA GLY 133 -0.242 24.378 -18.527 1063 2HA GLY 133 2HA GLY 133 -0.391 25.066 -20.131 Start of MODEL 16 1 H GLY 1 H GLY 1 -21.944 -2.408 5.314 2 1HA GLY 1 1HA GLY 1 -23.768 -1.458 3.934 3 2HA GLY 1 2HA GLY 1 -24.663 -1.243 5.426 4 H SER 2 H SER 2 -24.017 0.381 6.968 5 HA SER 2 HA SER 2 -21.902 2.130 6.006 6 1HB SER 2 1HB SER 2 -24.618 3.076 7.024 7 2HB SER 2 2HB SER 2 -23.291 4.114 6.541 8 HG SER 2 HG SER 2 -23.710 3.766 4.443 9 H SER 3 H SER 3 -21.260 3.764 7.827 10 HA SER 3 HA SER 3 -22.013 3.197 10.446 11 1HB SER 3 1HB SER 3 -20.413 1.190 9.612 12 2HB SER 3 2HB SER 3 -19.159 2.335 10.046 13 HG SER 3 HG SER 3 -19.567 2.035 12.134 14 H GLY 4 H GLY 4 -21.405 4.958 11.728 15 1HA GLY 4 1HA GLY 4 -19.887 7.050 10.395 16 2HA GLY 4 2HA GLY 4 -20.812 7.173 11.878 17 H SER 5 H SER 5 -17.806 5.713 10.488 18 HA SER 5 HA SER 5 -16.283 6.658 12.630 19 1HB SER 5 1HB SER 5 -17.357 4.789 13.849 20 2HB SER 5 2HB SER 5 -16.841 3.659 12.614 21 HG SER 5 HG SER 5 -15.275 5.028 14.585 22 H SER 6 H SER 6 -13.927 5.852 12.408 23 HA SER 6 HA SER 6 -12.970 6.235 9.979 24 1HB SER 6 1HB SER 6 -10.938 4.949 10.684 25 2HB SER 6 2HB SER 6 -11.519 6.043 11.923 26 HG SER 6 HG SER 6 -11.139 3.373 12.105 27 H GLY 7 H GLY 7 -13.315 5.278 8.010 28 1HA GLY 7 1HA GLY 7 -13.472 2.339 7.913 29 2HA GLY 7 2HA GLY 7 -14.748 3.302 7.196 30 H MET 8 H MET 8 -14.174 4.866 5.446 31 HA MET 8 HA MET 8 -11.698 4.058 4.129 32 1HB MET 8 1HB MET 8 -13.614 3.062 2.942 33 2HB MET 8 2HB MET 8 -14.484 4.583 2.965 34 1HG MET 8 1HG MET 8 -13.608 4.931 0.885 35 2HG MET 8 2HG MET 8 -12.113 5.318 1.712 36 1HE MET 8 1HE MET 8 -9.750 2.589 0.938 37 2HE MET 8 2HE MET 8 -10.061 4.322 1.203 38 3HE MET 8 3HE MET 8 -10.388 3.149 2.502 39 H GLU 9 H GLU 9 -14.333 6.571 4.078 40 HA GLU 9 HA GLU 9 -12.783 8.500 2.860 41 1HB GLU 9 1HB GLU 9 -15.417 8.269 3.698 42 2HB GLU 9 2HB GLU 9 -14.809 9.507 4.778 43 1HG GLU 9 1HG GLU 9 -13.943 10.791 2.803 44 2HG GLU 9 2HG GLU 9 -14.575 9.558 1.731 45 H ALA 10 H ALA 10 -12.540 7.140 6.004 46 HA ALA 10 HA ALA 10 -11.306 9.551 7.102 47 1HB ALA 10 1HB ALA 10 -11.699 6.942 8.572 48 2HB ALA 10 2HB ALA 10 -11.675 8.603 9.210 49 3HB ALA 10 3HB ALA 10 -13.082 8.025 8.286 50 H VAL 11 H VAL 11 -10.666 6.149 6.135 51 HA VAL 11 HA VAL 11 -8.039 6.052 7.102 52 HB VAL 11 HB VAL 11 -9.710 4.539 5.146 53 1HG1 VAL 11 1HG1 VAL 11 -6.699 4.279 5.406 54 2HG1 VAL 11 2HG1 VAL 11 -7.748 3.004 4.738 55 3HG1 VAL 11 3HG1 VAL 11 -7.648 4.587 3.932 56 1HG2 VAL 11 1HG2 VAL 11 -9.979 3.917 7.426 57 2HG2 VAL 11 2HG2 VAL 11 -8.980 2.649 6.677 58 3HG2 VAL 11 3HG2 VAL 11 -8.222 3.890 7.704 59 H LEU 12 H LEU 12 -9.465 7.055 3.941 60 HA LEU 12 HA LEU 12 -6.909 7.550 2.789 61 1HB LEU 12 1HB LEU 12 -9.758 7.847 2.017 62 2HB LEU 12 2HB LEU 12 -8.610 8.891 1.202 63 HG LEU 12 HG LEU 12 -8.632 5.865 1.236 64 1HD1 LEU 12 1HD1 LEU 12 -8.780 7.716 -1.146 65 2HD1 LEU 12 2HD1 LEU 12 -9.142 5.976 -1.063 66 3HD1 LEU 12 3HD1 LEU 12 -10.223 7.148 -0.273 67 1HD2 LEU 12 1HD2 LEU 12 -6.473 7.785 0.436 68 2HD2 LEU 12 2HD2 LEU 12 -6.358 6.223 1.281 69 3HD2 LEU 12 3HD2 LEU 12 -6.685 6.267 -0.469 70 H ASN 13 H ASN 13 -9.448 9.495 4.435 71 HA ASN 13 HA ASN 13 -8.460 11.970 3.873 72 1HB ASN 13 1HB ASN 13 -10.177 10.738 5.961 73 2HB ASN 13 2HB ASN 13 -9.355 12.179 6.528 74 1HD2 ASN 13 1HD2 ASN 13 -10.538 11.270 3.301 75 2HD2 ASN 13 2HD2 ASN 13 -11.625 12.600 3.080 76 H GLU 14 H GLU 14 -7.919 9.978 6.889 77 HA GLU 14 HA GLU 14 -5.904 11.658 7.840 78 1HB GLU 14 1HB GLU 14 -6.735 10.439 9.592 79 2HB GLU 14 2HB GLU 14 -7.122 9.056 8.589 80 1HG GLU 14 1HG GLU 14 -4.971 8.130 8.780 81 2HG GLU 14 2HG GLU 14 -4.209 9.680 9.074 82 H LEU 15 H LEU 15 -3.650 11.587 7.656 83 HA LEU 15 HA LEU 15 -2.640 9.548 5.796 84 1HB LEU 15 1HB LEU 15 -0.920 11.254 5.202 85 2HB LEU 15 2HB LEU 15 -2.556 11.608 4.682 86 HG LEU 15 HG LEU 15 -2.681 13.033 6.871 87 1HD1 LEU 15 1HD1 LEU 15 0.304 12.719 6.503 88 2HD1 LEU 15 2HD1 LEU 15 -0.444 14.055 7.409 89 3HD1 LEU 15 3HD1 LEU 15 -0.670 12.376 7.953 90 1HD2 LEU 15 1HD2 LEU 15 -1.414 13.684 4.244 91 2HD2 LEU 15 2HD2 LEU 15 -2.937 14.263 4.961 92 3HD2 LEU 15 3HD2 LEU 15 -1.381 14.908 5.537 93 H VAL 16 H VAL 16 -0.237 9.071 6.132 94 HA VAL 16 HA VAL 16 0.111 8.237 8.792 95 HB VAL 16 HB VAL 16 1.033 7.390 6.476 96 1HG1 VAL 16 1HG1 VAL 16 3.663 8.422 7.201 97 2HG1 VAL 16 2HG1 VAL 16 2.850 8.374 5.619 98 3HG1 VAL 16 3HG1 VAL 16 2.541 9.723 6.739 99 1HG2 VAL 16 1HG2 VAL 16 3.174 6.679 8.108 100 2HG2 VAL 16 2HG2 VAL 16 1.863 7.045 9.254 101 3HG2 VAL 16 3HG2 VAL 16 1.615 5.832 7.975 102 H SER 17 H SER 17 2.043 8.820 10.176 103 HA SER 17 HA SER 17 2.694 11.638 9.829 104 1HB SER 17 1HB SER 17 2.226 10.373 12.553 105 2HB SER 17 2HB SER 17 2.364 12.077 12.169 106 HG SER 17 HG SER 17 0.177 10.285 11.673 107 H VAL 18 H VAL 18 4.835 12.240 10.512 108 HA VAL 18 HA VAL 18 6.837 10.482 10.088 109 HB VAL 18 HB VAL 18 6.795 12.857 11.959 110 1HG1 VAL 18 1HG1 VAL 18 9.190 12.975 11.708 111 2HG1 VAL 18 2HG1 VAL 18 8.764 11.344 12.278 112 3HG1 VAL 18 3HG1 VAL 18 9.186 11.606 10.569 113 1HG2 VAL 18 1HG2 VAL 18 6.087 13.610 9.834 114 2HG2 VAL 18 2HG2 VAL 18 7.826 13.987 9.907 115 3HG2 VAL 18 3HG2 VAL 18 7.259 12.574 8.983 116 H GLU 19 H GLU 19 5.307 11.279 13.273 117 HA GLU 19 HA GLU 19 6.886 9.861 14.905 118 1HB GLU 19 1HB GLU 19 4.521 11.173 15.184 119 2HB GLU 19 2HB GLU 19 3.943 9.527 15.354 120 1HG GLU 19 1HG GLU 19 6.346 10.544 16.926 121 2HG GLU 19 2HG GLU 19 4.709 10.758 17.512 122 H ASP 20 H ASP 20 4.356 8.608 12.688 123 HA ASP 20 HA ASP 20 4.722 5.953 13.698 124 1HB ASP 20 1HB ASP 20 2.881 7.368 11.837 125 2HB ASP 20 2HB ASP 20 3.255 5.727 11.347 126 H LEU 21 H LEU 21 4.914 7.597 10.439 127 HA LEU 21 HA LEU 21 6.080 5.680 8.973 128 1HB LEU 21 1HB LEU 21 5.380 7.849 8.135 129 2HB LEU 21 2HB LEU 21 6.707 8.635 8.968 130 HG LEU 21 HG LEU 21 7.269 8.473 6.654 131 1HD1 LEU 21 1HD1 LEU 21 8.977 7.833 8.532 132 2HD1 LEU 21 2HD1 LEU 21 8.901 6.222 7.778 133 3HD1 LEU 21 3HD1 LEU 21 9.406 7.634 6.816 134 1HD2 LEU 21 1HD2 LEU 21 5.661 6.536 6.239 135 2HD2 LEU 21 2HD2 LEU 21 7.184 6.542 5.318 136 3HD2 LEU 21 3HD2 LEU 21 6.999 5.467 6.724 137 H LYS 22 H LYS 22 7.914 8.092 10.983 138 HA LYS 22 HA LYS 22 10.408 6.981 10.523 139 1HB LYS 22 1HB LYS 22 11.178 8.449 12.136 140 2HB LYS 22 2HB LYS 22 9.704 9.229 11.599 141 1HG LYS 22 1HG LYS 22 9.530 9.321 13.957 142 2HG LYS 22 2HG LYS 22 8.524 7.949 13.539 143 1HD LYS 22 1HD LYS 22 9.784 6.658 14.910 144 2HD LYS 22 2HD LYS 22 11.137 6.877 13.820 145 1HE LYS 22 1HE LYS 22 10.699 9.221 15.573 146 2HE LYS 22 2HE LYS 22 11.019 7.754 16.475 147 1HZ LYS 22 1HZ LYS 22 12.867 9.295 15.257 148 2HZ LYS 22 2HZ LYS 22 13.110 7.777 15.808 149 3HZ LYS 22 3HZ LYS 22 12.735 8.025 14.239 150 H ASN 23 H ASN 23 7.900 6.231 13.000 151 HA ASN 23 HA ASN 23 9.294 4.628 14.630 152 1HB ASN 23 1HB ASN 23 6.600 5.180 14.187 153 2HB ASN 23 2HB ASN 23 6.667 3.470 13.813 154 1HD2 ASN 23 1HD2 ASN 23 5.168 3.854 15.810 155 2HD2 ASN 23 2HD2 ASN 23 5.891 3.552 17.354 156 H PHE 24 H PHE 24 7.429 3.571 11.672 157 HA PHE 24 HA PHE 24 8.455 0.949 11.728 158 1HB PHE 24 1HB PHE 24 7.122 2.776 9.651 159 2HB PHE 24 2HB PHE 24 7.509 1.109 9.275 160 HD1 PHE 24 1HD PHE 24 6.128 -0.667 10.024 161 HD2 PHE 24 2HD PHE 24 5.475 3.266 11.481 162 HE1 PHE 24 1HE PHE 24 3.945 -1.400 11.025 163 HE2 PHE 24 2HE PHE 24 3.293 2.533 12.481 164 HZ PHE 24 HZ PHE 24 2.554 0.209 12.242 165 H GLU 25 H GLU 25 9.391 3.976 10.020 166 HA GLU 25 HA GLU 25 11.024 3.071 8.128 167 1HB GLU 25 1HB GLU 25 10.507 5.501 8.982 168 2HB GLU 25 2HB GLU 25 11.964 5.314 9.938 169 1HG GLU 25 1HG GLU 25 13.029 4.513 7.631 170 2HG GLU 25 2HG GLU 25 11.668 5.365 6.926 171 H ARG 26 H ARG 26 11.525 2.860 11.628 172 HA ARG 26 HA ARG 26 14.286 2.303 11.405 173 1HB ARG 26 1HB ARG 26 12.585 1.473 13.779 174 2HB ARG 26 2HB ARG 26 14.236 2.057 13.774 175 1HG ARG 26 1HG ARG 26 12.614 4.119 12.601 176 2HG ARG 26 2HG ARG 26 11.785 3.577 14.047 177 1HD ARG 26 1HD ARG 26 14.598 3.773 14.672 178 2HD ARG 26 2HD ARG 26 14.129 5.251 13.857 179 HE ARG 26 HE ARG 26 12.971 5.855 15.782 180 1HH1 ARG 26 1HH1 ARG 26 13.161 2.342 15.660 181 2HH1 ARG 26 2HH1 ARG 26 12.365 2.119 17.182 182 1HH2 ARG 26 1HH2 ARG 26 11.921 5.559 17.790 183 2HH2 ARG 26 2HH2 ARG 26 11.655 3.961 18.402 184 H LYS 27 H LYS 27 11.488 0.277 12.585 185 HA LYS 27 HA LYS 27 12.650 -2.131 12.690 186 1HB LYS 27 1HB LYS 27 10.105 -1.210 12.877 187 2HB LYS 27 2HB LYS 27 9.986 -2.118 11.384 188 1HG LYS 27 1HG LYS 27 10.349 -4.155 12.421 189 2HG LYS 27 2HG LYS 27 11.465 -3.485 13.595 190 1HD LYS 27 1HD LYS 27 9.478 -2.368 14.739 191 2HD LYS 27 2HD LYS 27 8.422 -3.230 13.638 192 1HE LYS 27 1HE LYS 27 9.651 -5.393 14.460 193 2HE LYS 27 2HE LYS 27 10.256 -4.396 15.768 194 1HZ LYS 27 1HZ LYS 27 7.930 -5.640 15.826 195 2HZ LYS 27 2HZ LYS 27 8.244 -4.294 16.695 196 3HZ LYS 27 3HZ LYS 27 7.435 -4.182 15.281 197 H PHE 28 H PHE 28 11.317 -0.595 9.690 198 HA PHE 28 HA PHE 28 11.935 -2.698 7.992 199 1HB PHE 28 1HB PHE 28 10.527 -0.516 7.682 200 2HB PHE 28 2HB PHE 28 12.046 0.320 7.423 201 HD1 PHE 28 1HD PHE 28 13.336 -0.043 5.387 202 HD2 PHE 28 2HD PHE 28 9.640 -2.033 6.007 203 HE1 PHE 28 1HE PHE 28 13.249 -0.639 2.951 204 HE2 PHE 28 2HE PHE 28 9.553 -2.630 3.570 205 HZ PHE 28 HZ PHE 28 11.359 -1.926 2.071 206 H GLN 29 H GLN 29 13.757 0.427 8.424 207 HA GLN 29 HA GLN 29 15.876 -0.238 6.872 208 1HB GLN 29 1HB GLN 29 15.671 1.509 9.351 209 2HB GLN 29 2HB GLN 29 17.164 1.384 8.442 210 1HG GLN 29 1HG GLN 29 16.043 2.177 6.394 211 2HG GLN 29 2HG GLN 29 14.486 2.167 7.198 212 1HE2 GLN 29 1HE2 GLN 29 14.770 3.296 9.533 213 2HE2 GLN 29 2HE2 GLN 29 15.378 4.915 9.451 214 H SER 30 H SER 30 15.816 -0.463 10.509 215 HA SER 30 HA SER 30 18.155 -1.668 10.899 216 1HB SER 30 1HB SER 30 16.134 -1.051 12.521 217 2HB SER 30 2HB SER 30 15.754 -2.755 12.377 218 HG SER 30 HG SER 30 17.128 -2.588 14.143 219 H GLU 31 H GLU 31 15.018 -3.393 10.239 220 HA GLU 31 HA GLU 31 16.050 -5.926 10.245 221 1HB GLU 31 1HB GLU 31 13.693 -4.678 8.793 222 2HB GLU 31 2HB GLU 31 14.042 -6.389 8.648 223 1HG GLU 31 1HG GLU 31 13.939 -5.183 11.415 224 2HG GLU 31 2HG GLU 31 12.426 -5.452 10.574 225 H GLN 32 H GLN 32 16.074 -3.414 7.708 226 HA GLN 32 HA GLN 32 16.738 -5.081 5.594 227 1HB GLN 32 1HB GLN 32 16.051 -2.498 5.759 228 2HB GLN 32 2HB GLN 32 17.787 -2.258 5.726 229 1HG GLN 32 1HG GLN 32 17.969 -3.513 3.609 230 2HG GLN 32 2HG GLN 32 16.265 -3.921 3.664 231 1HE2 GLN 32 1HE2 GLN 32 17.263 -2.712 1.476 232 2HE2 GLN 32 2HE2 GLN 32 16.709 -1.077 1.334 233 H ALA 33 H ALA 33 18.866 -2.946 7.637 234 HA ALA 33 HA ALA 33 21.251 -3.949 6.535 235 1HB ALA 33 1HB ALA 33 20.374 -2.051 8.569 236 2HB ALA 33 2HB ALA 33 21.801 -2.966 9.111 237 3HB ALA 33 3HB ALA 33 21.855 -2.051 7.584 238 H ALA 34 H ALA 34 18.911 -5.374 8.585 239 HA ALA 34 HA ALA 34 20.664 -6.868 10.245 240 1HB ALA 34 1HB ALA 34 17.998 -6.256 10.246 241 2HB ALA 34 2HB ALA 34 17.958 -7.931 9.648 242 3HB ALA 34 3HB ALA 34 18.723 -7.562 11.212 243 H GLY 35 H GLY 35 19.007 -7.398 7.091 244 1HA GLY 35 1HA GLY 35 20.873 -8.979 5.924 245 2HA GLY 35 2HA GLY 35 19.943 -10.117 6.881 246 H SER 36 H SER 36 17.382 -8.617 6.698 247 HA SER 36 HA SER 36 16.717 -8.067 4.088 248 1HB SER 36 1HB SER 36 15.484 -10.089 3.405 249 2HB SER 36 2HB SER 36 17.183 -10.453 3.641 250 HG SER 36 HG SER 36 15.722 -12.043 4.613 251 H VAL 37 H VAL 37 14.827 -6.893 4.254 252 HA VAL 37 HA VAL 37 13.538 -6.675 6.734 253 HB VAL 37 HB VAL 37 12.917 -5.737 3.939 254 1HG1 VAL 37 1HG1 VAL 37 10.765 -5.595 4.640 255 2HG1 VAL 37 2HG1 VAL 37 11.205 -5.671 6.363 256 3HG1 VAL 37 3HG1 VAL 37 11.357 -4.137 5.474 257 1HG2 VAL 37 1HG2 VAL 37 14.130 -3.921 4.447 258 2HG2 VAL 37 2HG2 VAL 37 13.363 -3.752 6.045 259 3HG2 VAL 37 3HG2 VAL 37 14.743 -4.857 5.832 260 H SER 38 H SER 38 11.758 -7.678 7.603 261 HA SER 38 HA SER 38 10.958 -10.080 6.382 262 1HB SER 38 1HB SER 38 10.180 -8.557 8.871 263 2HB SER 38 2HB SER 38 9.170 -9.891 8.349 264 HG SER 38 HG SER 38 10.980 -10.402 9.889 265 H LYS 39 H LYS 39 8.695 -10.661 5.775 266 HA LYS 39 HA LYS 39 7.598 -8.864 3.981 267 1HB LYS 39 1HB LYS 39 6.248 -10.584 3.435 268 2HB LYS 39 2HB LYS 39 7.320 -11.505 4.471 269 1HG LYS 39 1HG LYS 39 5.734 -10.866 6.425 270 2HG LYS 39 2HG LYS 39 4.613 -10.311 5.198 271 1HD LYS 39 1HD LYS 39 4.576 -12.561 4.162 272 2HD LYS 39 2HD LYS 39 5.786 -13.131 5.294 273 1HE LYS 39 1HE LYS 39 3.736 -11.999 6.909 274 2HE LYS 39 2HE LYS 39 2.893 -12.890 5.658 275 1HZ LYS 39 1HZ LYS 39 4.012 -13.963 7.849 276 2HZ LYS 39 2HZ LYS 39 3.574 -14.797 6.516 277 3HZ LYS 39 3HZ LYS 39 5.121 -14.309 6.701 278 H SER 40 H SER 40 6.863 -9.495 7.442 279 HA SER 40 HA SER 40 4.543 -8.027 7.559 280 1HB SER 40 1HB SER 40 6.117 -9.464 9.340 281 2HB SER 40 2HB SER 40 6.283 -7.830 9.952 282 HG SER 40 HG SER 40 3.665 -8.199 9.349 283 H THR 41 H THR 41 7.873 -6.995 8.631 284 HA THR 41 HA THR 41 7.227 -4.310 8.976 285 HB THR 41 HB THR 41 9.913 -5.556 8.189 286 HG1 THR 41 1HG THR 41 8.428 -5.203 10.699 287 1HG2 THR 41 1HG2 THR 41 10.771 -3.805 9.795 288 2HG2 THR 41 2HG2 THR 41 10.008 -3.086 8.357 289 3HG2 THR 41 3HG2 THR 41 9.125 -3.140 9.901 290 H GLN 42 H GLN 42 7.616 -6.172 6.055 291 HA GLN 42 HA GLN 42 8.370 -3.971 4.455 292 1HB GLN 42 1HB GLN 42 8.694 -6.501 3.991 293 2HB GLN 42 2HB GLN 42 7.018 -6.515 3.483 294 1HG GLN 42 1HG GLN 42 7.422 -5.040 1.655 295 2HG GLN 42 2HG GLN 42 8.931 -4.460 2.332 296 1HE2 GLN 42 1HE2 GLN 42 8.322 -5.609 -0.285 297 2HE2 GLN 42 2HE2 GLN 42 9.367 -6.974 -0.504 298 H PHE 43 H PHE 43 5.282 -5.888 4.711 299 HA PHE 43 HA PHE 43 3.787 -4.144 3.145 300 1HB PHE 43 1HB PHE 43 3.020 -6.404 3.665 301 2HB PHE 43 2HB PHE 43 3.243 -6.160 5.385 302 HD1 PHE 43 1HD PHE 43 1.185 -4.981 2.517 303 HD2 PHE 43 2HD PHE 43 1.433 -5.544 6.716 304 HE1 PHE 43 1HE PHE 43 -1.237 -4.363 2.743 305 HE2 PHE 43 2HE PHE 43 -0.989 -4.926 6.942 306 HZ PHE 43 HZ PHE 43 -2.296 -4.343 4.953 307 H GLU 44 H GLU 44 4.717 -4.056 6.579 308 HA GLU 44 HA GLU 44 2.729 -2.299 7.408 309 1HB GLU 44 1HB GLU 44 5.445 -3.110 8.443 310 2HB GLU 44 2HB GLU 44 4.635 -1.749 9.193 311 1HG GLU 44 1HG GLU 44 2.615 -3.180 9.592 312 2HG GLU 44 2HG GLU 44 3.438 -4.541 8.857 313 H TYR 45 H TYR 45 6.233 -1.395 7.306 314 HA TYR 45 HA TYR 45 5.921 1.285 7.169 315 1HB TYR 45 1HB TYR 45 8.063 -0.042 7.360 316 2HB TYR 45 2HB TYR 45 7.874 -0.602 5.710 317 HD1 TYR 45 1HD TYR 45 9.042 0.494 4.024 318 HD2 TYR 45 2HD TYR 45 8.135 2.615 7.628 319 HE1 TYR 45 1HE TYR 45 10.392 2.486 3.201 320 HE2 TYR 45 2HE TYR 45 9.487 4.599 6.791 321 HH TYR 45 HH TYR 45 10.106 5.456 4.356 322 H ALA 46 H ALA 46 5.634 -1.074 4.481 323 HA ALA 46 HA ALA 46 5.663 0.807 2.404 324 1HB ALA 46 1HB ALA 46 4.359 -1.937 2.624 325 2HB ALA 46 2HB ALA 46 4.629 -1.047 1.107 326 3HB ALA 46 3HB ALA 46 6.018 -1.597 2.075 327 H TRP 47 H TRP 47 3.053 -0.518 4.504 328 HA TRP 47 HA TRP 47 0.919 0.620 3.100 329 1HB TRP 47 1HB TRP 47 0.525 -1.140 4.646 330 2HB TRP 47 2HB TRP 47 1.264 -0.255 5.965 331 HD1 TRP 47 HD TRP 47 -0.654 0.428 7.596 332 HE1 TRP 47 1HE TRP 47 -3.090 1.434 7.481 333 HE3 TRP 47 3HE TRP 47 -0.950 0.499 2.520 334 HZ2 TRP 47 2HZ TRP 47 -4.829 2.132 5.329 335 HZ3 TRP 47 3HZ TRP 47 -3.053 1.358 1.492 336 HH2 TRP 47 HH TRP 47 -4.950 2.156 2.809 337 H CYS 48 H CYS 48 3.243 1.840 5.531 338 HA CYS 48 HA CYS 48 1.887 4.121 6.291 339 1HB CYS 48 1HB CYS 48 4.638 3.110 6.447 340 2HB CYS 48 2HB CYS 48 4.562 4.858 6.338 341 HG CYS 48 HG CYS 48 3.910 2.848 8.687 342 H LEU 49 H LEU 49 4.597 3.829 3.866 343 HA LEU 49 HA LEU 49 4.603 6.269 2.804 344 1HB LEU 49 1HB LEU 49 4.803 3.605 1.405 345 2HB LEU 49 2HB LEU 49 5.138 5.128 0.606 346 HG LEU 49 HG LEU 49 7.256 4.740 1.221 347 1HD1 LEU 49 1HD1 LEU 49 7.874 5.568 3.488 348 2HD1 LEU 49 2HD1 LEU 49 6.780 6.652 2.595 349 3HD1 LEU 49 3HD1 LEU 49 6.143 5.619 3.898 350 1HD2 LEU 49 1HD2 LEU 49 7.449 3.297 3.584 351 2HD2 LEU 49 2HD2 LEU 49 6.005 2.626 2.788 352 3HD2 LEU 49 3HD2 LEU 49 7.565 2.652 1.930 353 H VAL 50 H VAL 50 2.339 3.634 1.738 354 HA VAL 50 HA VAL 50 0.896 5.374 0.040 355 HB VAL 50 HB VAL 50 -0.722 3.491 -0.007 356 1HG1 VAL 50 1HG1 VAL 50 0.653 2.943 -1.687 357 2HG1 VAL 50 2HG1 VAL 50 2.097 3.428 -0.766 358 3HG1 VAL 50 3HG1 VAL 50 1.416 1.796 -0.561 359 1HG2 VAL 50 1HG2 VAL 50 -0.585 2.637 2.229 360 2HG2 VAL 50 2HG2 VAL 50 -0.018 1.357 1.130 361 3HG2 VAL 50 3HG2 VAL 50 1.158 2.315 2.063 362 H ARG 51 H ARG 51 1.000 7.034 2.040 363 HA ARG 51 HA ARG 51 -1.635 7.412 2.748 364 1HB ARG 51 1HB ARG 51 -0.100 5.748 4.619 365 2HB ARG 51 2HB ARG 51 -0.640 7.219 5.405 366 1HG ARG 51 1HG ARG 51 -2.923 6.724 5.082 367 2HG ARG 51 2HG ARG 51 -2.614 5.685 3.705 368 1HD ARG 51 1HD ARG 51 -3.278 4.445 5.825 369 2HD ARG 51 2HD ARG 51 -1.772 3.901 5.113 370 HE ARG 51 HE ARG 51 -0.813 5.739 6.844 371 1HH1 ARG 51 1HH1 ARG 51 -3.307 3.303 7.321 372 2HH1 ARG 51 2HH1 ARG 51 -2.995 3.131 9.016 373 1HH2 ARG 51 1HH2 ARG 51 -0.400 5.513 9.079 374 2HH2 ARG 51 2HH2 ARG 51 -1.330 4.397 10.023 375 H SER 52 H SER 52 1.842 7.892 3.485 376 HA SER 52 HA SER 52 1.912 10.085 4.948 377 1HB SER 52 1HB SER 52 3.924 9.012 4.059 378 2HB SER 52 2HB SER 52 3.530 9.516 2.427 379 HG SER 52 HG SER 52 4.245 11.218 4.657 380 H LYS 53 H LYS 53 2.204 12.464 4.383 381 HA LYS 53 HA LYS 53 -0.005 13.322 2.832 382 1HB LYS 53 1HB LYS 53 0.787 15.582 3.442 383 2HB LYS 53 2HB LYS 53 0.623 14.519 4.825 384 1HG LYS 53 1HG LYS 53 2.782 14.950 5.362 385 2HG LYS 53 2HG LYS 53 3.280 14.119 3.903 386 1HD LYS 53 1HD LYS 53 3.960 16.072 2.975 387 2HD LYS 53 2HD LYS 53 2.353 16.749 3.149 388 1HE LYS 53 1HE LYS 53 2.937 17.256 5.597 389 2HE LYS 53 2HE LYS 53 4.585 16.781 5.233 390 1HZ LYS 53 1HZ LYS 53 3.908 18.512 3.254 391 2HZ LYS 53 2HZ LYS 53 3.254 19.181 4.592 392 3HZ LYS 53 3HZ LYS 53 4.851 18.843 4.545 393 H TYR 54 H TYR 54 3.064 12.193 1.970 394 HA TYR 54 HA TYR 54 3.223 13.954 -0.363 395 1HB TYR 54 1HB TYR 54 4.996 12.094 1.263 396 2HB TYR 54 2HB TYR 54 5.407 12.287 -0.429 397 HD1 TYR 54 1HD TYR 54 4.910 14.168 2.747 398 HD2 TYR 54 2HD TYR 54 6.573 14.207 -1.194 399 HE1 TYR 54 1HE TYR 54 6.161 16.313 3.289 400 HE2 TYR 54 2HE TYR 54 7.820 16.353 -0.639 401 HH TYR 54 HH TYR 54 7.057 18.267 1.920 402 H ASN 55 H ASN 55 4.281 12.558 -2.335 403 HA ASN 55 HA ASN 55 2.459 10.301 -2.641 404 1HB ASN 55 1HB ASN 55 3.622 11.759 -5.025 405 2HB ASN 55 2HB ASN 55 2.093 10.913 -4.898 406 1HD2 ASN 55 1HD2 ASN 55 2.374 13.452 -5.987 407 2HD2 ASN 55 2HD2 ASN 55 1.543 14.614 -5.007 408 H GLU 56 H GLU 56 5.627 11.795 -3.618 409 HA GLU 56 HA GLU 56 6.757 9.845 -5.019 410 1HB GLU 56 1HB GLU 56 7.887 11.737 -2.952 411 2HB GLU 56 2HB GLU 56 8.949 10.567 -3.707 412 1HG GLU 56 1HG GLU 56 7.278 11.852 -5.731 413 2HG GLU 56 2HG GLU 56 8.099 13.067 -4.772 414 H ASP 57 H ASP 57 6.003 9.782 -1.556 415 HA ASP 57 HA ASP 57 7.665 7.554 -1.027 416 1HB ASP 57 1HB ASP 57 5.576 9.144 0.438 417 2HB ASP 57 2HB ASP 57 5.894 7.527 1.034 418 H ILE 58 H ILE 58 4.122 8.192 -1.512 419 HA ILE 58 HA ILE 58 2.971 5.855 -0.991 420 HB ILE 58 HB ILE 58 2.565 7.773 -3.263 421 1HG1 ILE 58 1HG1 ILE 58 0.893 7.156 -0.809 422 2HG1 ILE 58 2HG1 ILE 58 2.072 8.449 -0.907 423 1HG2 ILE 58 1HG2 ILE 58 0.244 6.482 -3.340 424 2HG2 ILE 58 2HG2 ILE 58 1.627 6.010 -4.356 425 3HG2 ILE 58 3HG2 ILE 58 1.276 5.114 -2.858 426 1HD1 ILE 58 1HD1 ILE 58 0.378 9.738 -1.701 427 2HD1 ILE 58 2HD1 ILE 58 0.547 8.828 -3.221 428 3HD1 ILE 58 3HD1 ILE 58 -0.653 8.320 -2.010 429 H ARG 59 H ARG 59 4.843 6.582 -4.005 430 HA ARG 59 HA ARG 59 4.466 4.401 -5.421 431 1HB ARG 59 1HB ARG 59 7.189 5.652 -4.796 432 2HB ARG 59 2HB ARG 59 6.886 4.589 -6.156 433 1HG ARG 59 1HG ARG 59 5.084 6.218 -6.935 434 2HG ARG 59 2HG ARG 59 5.583 7.306 -5.656 435 1HD ARG 59 1HD ARG 59 7.300 8.080 -6.925 436 2HD ARG 59 2HD ARG 59 7.953 6.461 -7.090 437 HE ARG 59 HE ARG 59 6.229 7.864 -9.022 438 1HH1 ARG 59 1HH1 ARG 59 7.560 4.769 -8.002 439 2HH1 ARG 59 2HH1 ARG 59 7.329 4.018 -9.545 440 1HH2 ARG 59 1HH2 ARG 59 5.925 6.872 -11.058 441 2HH2 ARG 59 2HH2 ARG 59 6.394 5.221 -11.295 442 H ARG 60 H ARG 60 6.856 4.650 -2.687 443 HA ARG 60 HA ARG 60 7.875 2.162 -2.808 444 1HB ARG 60 1HB ARG 60 7.460 4.199 -0.671 445 2HB ARG 60 2HB ARG 60 7.703 2.573 -0.066 446 1HG ARG 60 1HG ARG 60 9.932 2.911 -0.347 447 2HG ARG 60 2HG ARG 60 9.651 2.801 -2.073 448 1HD ARG 60 1HD ARG 60 9.102 5.324 -2.022 449 2HD ARG 60 2HD ARG 60 9.700 5.337 -0.376 450 HE ARG 60 HE ARG 60 11.548 4.123 -2.318 451 1HH1 ARG 60 1HH1 ARG 60 10.557 7.083 -0.693 452 2HH1 ARG 60 2HH1 ARG 60 12.071 7.884 -0.952 453 1HH2 ARG 60 1HH2 ARG 60 13.546 5.179 -2.660 454 2HH2 ARG 60 2HH2 ARG 60 13.783 6.794 -2.078 455 H GLY 61 H GLY 61 5.202 3.153 -0.530 456 1HA GLY 61 1HA GLY 61 4.428 0.811 0.502 457 2HA GLY 61 2HA GLY 61 3.293 2.059 0.029 458 H ILE 62 H ILE 62 4.150 1.770 -2.908 459 HA ILE 62 HA ILE 62 2.320 -0.399 -3.473 460 HB ILE 62 HB ILE 62 3.674 1.556 -5.335 461 1HG1 ILE 62 1HG1 ILE 62 0.898 1.732 -4.128 462 2HG1 ILE 62 2HG1 ILE 62 2.282 2.636 -3.549 463 1HG2 ILE 62 1HG2 ILE 62 2.711 0.468 -7.009 464 2HG2 ILE 62 2HG2 ILE 62 2.201 -0.792 -5.861 465 3HG2 ILE 62 3HG2 ILE 62 1.120 0.576 -6.219 466 1HD1 ILE 62 1HD1 ILE 62 0.895 2.847 -6.240 467 2HD1 ILE 62 2HD1 ILE 62 1.215 4.131 -5.051 468 3HD1 ILE 62 3HD1 ILE 62 2.552 3.454 -6.012 469 H VAL 63 H VAL 63 5.682 0.604 -4.427 470 HA VAL 63 HA VAL 63 6.341 -1.627 -5.861 471 HB VAL 63 HB VAL 63 8.515 -0.900 -5.697 472 1HG1 VAL 63 1HG1 VAL 63 6.607 0.994 -6.056 473 2HG1 VAL 63 2HG1 VAL 63 7.511 1.707 -4.697 474 3HG1 VAL 63 3HG1 VAL 63 8.353 1.301 -6.212 475 1HG2 VAL 63 1HG2 VAL 63 7.957 0.195 -2.919 476 2HG2 VAL 63 2HG2 VAL 63 8.786 -1.337 -3.286 477 3HG2 VAL 63 3HG2 VAL 63 9.522 0.210 -3.766 478 H LEU 64 H LEU 64 6.753 -1.087 -2.292 479 HA LEU 64 HA LEU 64 7.820 -3.577 -1.736 480 1HB LEU 64 1HB LEU 64 6.005 -2.096 0.144 481 2HB LEU 64 2HB LEU 64 7.399 -3.091 0.514 482 HG LEU 64 HG LEU 64 7.378 -0.310 -0.673 483 1HD1 LEU 64 1HD1 LEU 64 8.016 -1.492 1.983 484 2HD1 LEU 64 2HD1 LEU 64 9.030 -0.144 1.415 485 3HD1 LEU 64 3HD1 LEU 64 7.268 0.068 1.563 486 1HD2 LEU 64 1HD2 LEU 64 9.516 -0.447 -1.373 487 2HD2 LEU 64 2HD2 LEU 64 9.986 -1.579 -0.083 488 3HD2 LEU 64 3HD2 LEU 64 9.133 -2.179 -1.525 489 H LEU 65 H LEU 65 4.378 -2.550 -1.153 490 HA LEU 65 HA LEU 65 3.382 -5.033 -0.639 491 1HB LEU 65 1HB LEU 65 2.232 -2.517 -1.772 492 2HB LEU 65 2HB LEU 65 1.243 -3.964 -1.737 493 HG LEU 65 HG LEU 65 0.983 -3.921 0.519 494 1HD1 LEU 65 1HD1 LEU 65 3.773 -2.778 0.672 495 2HD1 LEU 65 2HD1 LEU 65 2.696 -2.864 2.086 496 3HD1 LEU 65 3HD1 LEU 65 3.177 -4.355 1.242 497 1HD2 LEU 65 1HD2 LEU 65 0.957 -1.346 -0.661 498 2HD2 LEU 65 2HD2 LEU 65 0.041 -1.928 0.749 499 3HD2 LEU 65 3HD2 LEU 65 1.633 -1.167 0.976 500 H GLU 66 H GLU 66 3.909 -3.444 -3.834 501 HA GLU 66 HA GLU 66 2.679 -5.363 -5.358 502 1HB GLU 66 1HB GLU 66 4.889 -3.365 -5.850 503 2HB GLU 66 2HB GLU 66 4.527 -4.541 -7.097 504 1HG GLU 66 1HG GLU 66 2.199 -3.806 -7.221 505 2HG GLU 66 2HG GLU 66 2.388 -2.789 -5.806 506 H GLU 67 H GLU 67 5.614 -5.522 -3.491 507 HA GLU 67 HA GLU 67 6.615 -7.729 -5.062 508 1HB GLU 67 1HB GLU 67 7.721 -5.842 -3.064 509 2HB GLU 67 2HB GLU 67 8.285 -7.488 -2.854 510 1HG GLU 67 1HG GLU 67 8.417 -7.099 -5.638 511 2HG GLU 67 2HG GLU 67 8.922 -5.553 -4.984 512 H LEU 68 H LEU 68 4.902 -6.999 -2.046 513 HA LEU 68 HA LEU 68 5.331 -9.621 -0.955 514 1HB LEU 68 1HB LEU 68 3.505 -7.364 -0.115 515 2HB LEU 68 2HB LEU 68 3.773 -8.841 0.790 516 HG LEU 68 HG LEU 68 6.061 -7.007 0.077 517 1HD1 LEU 68 1HD1 LEU 68 5.468 -5.446 1.539 518 2HD1 LEU 68 2HD1 LEU 68 3.872 -6.227 1.642 519 3HD1 LEU 68 3HD1 LEU 68 5.152 -6.662 2.799 520 1HD2 LEU 68 1HD2 LEU 68 5.898 -9.521 1.320 521 2HD2 LEU 68 2HD2 LEU 68 7.310 -8.441 1.221 522 3HD2 LEU 68 3HD2 LEU 68 6.219 -8.354 2.626 523 H LEU 69 H LEU 69 3.098 -8.023 -3.146 524 HA LEU 69 HA LEU 69 0.780 -9.357 -2.849 525 1HB LEU 69 1HB LEU 69 2.183 -7.993 -4.963 526 2HB LEU 69 2HB LEU 69 1.302 -9.359 -5.618 527 HG LEU 69 HG LEU 69 -0.071 -7.393 -5.750 528 1HD1 LEU 69 1HD1 LEU 69 -1.675 -8.396 -3.610 529 2HD1 LEU 69 2HD1 LEU 69 -1.841 -8.667 -5.362 530 3HD1 LEU 69 3HD1 LEU 69 -0.837 -9.763 -4.383 531 1HD2 LEU 69 1HD2 LEU 69 0.943 -6.010 -4.055 532 2HD2 LEU 69 2HD2 LEU 69 -0.800 -6.161 -3.723 533 3HD2 LEU 69 3HD2 LEU 69 0.374 -7.099 -2.767 534 HA PRO 70 HA PRO 70 2.426 -13.150 -5.089 535 1HB PRO 70 1HB PRO 70 4.982 -13.241 -6.053 536 2HB PRO 70 2HB PRO 70 3.604 -12.772 -7.030 537 1HG PRO 70 1HG PRO 70 5.718 -11.065 -5.862 538 2HG PRO 70 2HG PRO 70 4.602 -10.696 -7.162 539 1HD PRO 70 1HD PRO 70 4.439 -9.781 -4.449 540 2HD PRO 70 2HD PRO 70 3.263 -9.507 -5.720 541 H LYS 71 H LYS 71 4.408 -11.514 -2.861 542 HA LYS 71 HA LYS 71 5.300 -14.094 -1.798 543 1HB LYS 71 1HB LYS 71 6.327 -11.324 -1.124 544 2HB LYS 71 2HB LYS 71 7.020 -12.856 -0.635 545 1HG LYS 71 1HG LYS 71 7.247 -13.401 -3.155 546 2HG LYS 71 2HG LYS 71 6.853 -11.721 -3.458 547 1HD LYS 71 1HD LYS 71 8.783 -11.064 -1.927 548 2HD LYS 71 2HD LYS 71 9.216 -12.759 -1.825 549 1HE LYS 71 1HE LYS 71 9.845 -12.880 -4.107 550 2HE LYS 71 2HE LYS 71 8.878 -11.489 -4.554 551 1HZ LYS 71 1HZ LYS 71 10.521 -10.353 -2.874 552 2HZ LYS 71 2HZ LYS 71 11.498 -11.571 -3.352 553 3HZ LYS 71 3HZ LYS 71 10.890 -10.531 -4.454 554 H GLY 72 H GLY 72 2.650 -13.822 -1.433 555 1HA GLY 72 1HA GLY 72 2.469 -13.457 1.442 556 2HA GLY 72 2HA GLY 72 1.503 -12.352 0.485 557 H SER 73 H SER 73 0.183 -14.077 2.192 558 HA SER 73 HA SER 73 -0.481 -16.490 0.890 559 1HB SER 73 1HB SER 73 -0.774 -15.457 3.455 560 2HB SER 73 2HB SER 73 -2.423 -15.437 2.866 561 HG SER 73 HG SER 73 -2.219 -17.708 2.341 562 H LYS 74 H LYS 74 -3.295 -16.652 1.077 563 HA LYS 74 HA LYS 74 -4.021 -15.185 -1.272 564 1HB LYS 74 1HB LYS 74 -5.017 -17.487 0.257 565 2HB LYS 74 2HB LYS 74 -6.297 -16.466 -0.365 566 1HG LYS 74 1HG LYS 74 -5.175 -16.550 -2.646 567 2HG LYS 74 2HG LYS 74 -4.021 -17.694 -1.990 568 1HD LYS 74 1HD LYS 74 -6.883 -18.378 -1.489 569 2HD LYS 74 2HD LYS 74 -6.407 -18.400 -3.175 570 1HE LYS 74 1HE LYS 74 -4.792 -20.103 -2.841 571 2HE LYS 74 2HE LYS 74 -4.641 -19.768 -1.128 572 1HZ LYS 74 1HZ LYS 74 -6.902 -20.599 -0.857 573 2HZ LYS 74 2HZ LYS 74 -6.977 -20.970 -2.444 574 3HZ LYS 74 3HZ LYS 74 -5.910 -21.739 -1.476 575 H GLU 75 H GLU 75 -5.448 -15.447 2.066 576 HA GLU 75 HA GLU 75 -7.111 -13.266 1.708 577 1HB GLU 75 1HB GLU 75 -7.321 -13.323 4.207 578 2HB GLU 75 2HB GLU 75 -7.525 -14.896 3.462 579 1HG GLU 75 1HG GLU 75 -4.850 -15.009 3.875 580 2HG GLU 75 2HG GLU 75 -5.251 -13.870 5.144 581 H GLU 76 H GLU 76 -3.682 -13.464 2.193 582 HA GLU 76 HA GLU 76 -3.435 -10.963 3.507 583 1HB GLU 76 1HB GLU 76 -1.476 -12.876 2.195 584 2HB GLU 76 2HB GLU 76 -0.950 -11.318 2.799 585 1HG GLU 76 1HG GLU 76 -2.290 -12.101 4.996 586 2HG GLU 76 2HG GLU 76 -1.993 -13.697 4.334 587 H GLN 77 H GLN 77 -3.543 -12.151 0.161 588 HA GLN 77 HA GLN 77 -2.396 -9.866 -0.986 589 1HB GLN 77 1HB GLN 77 -4.005 -12.214 -1.980 590 2HB GLN 77 2HB GLN 77 -3.803 -10.838 -3.047 591 1HG GLN 77 1HG GLN 77 -1.277 -10.991 -2.585 592 2HG GLN 77 2HG GLN 77 -1.594 -12.513 -1.776 593 1HE2 GLN 77 1HE2 GLN 77 -0.415 -13.696 -3.238 594 2HE2 GLN 77 2HE2 GLN 77 -0.944 -14.036 -4.851 595 H ARG 78 H ARG 78 -5.535 -10.583 0.376 596 HA ARG 78 HA ARG 78 -7.016 -8.793 -1.167 597 1HB ARG 78 1HB ARG 78 -7.388 -10.189 1.491 598 2HB ARG 78 2HB ARG 78 -8.495 -8.893 1.079 599 1HG ARG 78 1HG ARG 78 -9.590 -10.782 0.195 600 2HG ARG 78 2HG ARG 78 -8.775 -10.135 -1.214 601 1HD ARG 78 1HD ARG 78 -7.509 -12.012 -1.444 602 2HD ARG 78 2HD ARG 78 -6.984 -11.941 0.228 603 HE ARG 78 HE ARG 78 -9.542 -12.873 0.507 604 1HH1 ARG 78 1HH1 ARG 78 -6.904 -13.869 -1.599 605 2HH1 ARG 78 2HH1 ARG 78 -7.417 -15.521 -1.673 606 1HH2 ARG 78 1HH2 ARG 78 -10.219 -15.053 0.410 607 2HH2 ARG 78 2HH2 ARG 78 -9.315 -16.199 -0.522 608 H ASP 79 H ASP 79 -5.223 -8.552 1.955 609 HA ASP 79 HA ASP 79 -6.121 -5.966 2.534 610 1HB ASP 79 1HB ASP 79 -3.810 -7.701 3.455 611 2HB ASP 79 2HB ASP 79 -3.892 -6.029 3.974 612 H TYR 80 H TYR 80 -3.589 -7.383 0.502 613 HA TYR 80 HA TYR 80 -1.892 -5.123 0.371 614 1HB TYR 80 1HB TYR 80 -2.518 -7.587 -1.361 615 2HB TYR 80 2HB TYR 80 -1.245 -6.469 -1.807 616 HD1 TYR 80 1HD TYR 80 -0.863 -6.166 1.493 617 HD2 TYR 80 2HD TYR 80 -0.571 -9.261 -1.447 618 HE1 TYR 80 1HE TYR 80 0.765 -7.434 2.978 619 HE2 TYR 80 2HE TYR 80 1.056 -10.518 0.048 620 HH TYR 80 HH TYR 80 2.198 -9.088 3.072 621 H VAL 81 H VAL 81 -3.766 -6.535 -2.389 622 HA VAL 81 HA VAL 81 -3.724 -4.475 -4.063 623 HB VAL 81 HB VAL 81 -6.192 -6.107 -3.439 624 1HG1 VAL 81 1HG1 VAL 81 -5.322 -4.436 -5.779 625 2HG1 VAL 81 2HG1 VAL 81 -6.330 -5.877 -6.056 626 3HG1 VAL 81 3HG1 VAL 81 -6.919 -4.568 -5.003 627 1HG2 VAL 81 1HG2 VAL 81 -4.900 -7.323 -5.564 628 2HG2 VAL 81 2HG2 VAL 81 -3.562 -6.880 -4.477 629 3HG2 VAL 81 3HG2 VAL 81 -4.901 -7.888 -3.877 630 H PHE 82 H PHE 82 -6.061 -4.818 -1.313 631 HA PHE 82 HA PHE 82 -7.608 -2.657 -1.686 632 1HB PHE 82 1HB PHE 82 -7.696 -4.307 0.213 633 2HB PHE 82 2HB PHE 82 -6.199 -3.664 0.859 634 HD1 PHE 82 1HD PHE 82 -9.267 -1.938 -0.387 635 HD2 PHE 82 2HD PHE 82 -6.686 -2.689 2.896 636 HE1 PHE 82 1HE PHE 82 -10.569 -0.308 1.009 637 HE2 PHE 82 2HE PHE 82 -7.987 -1.060 4.293 638 HZ PHE 82 HZ PHE 82 -9.913 0.111 3.333 639 H TYR 83 H TYR 83 -4.235 -2.689 -0.426 640 HA TYR 83 HA TYR 83 -4.291 0.142 0.091 641 1HB TYR 83 1HB TYR 83 -2.266 -2.166 0.069 642 2HB TYR 83 2HB TYR 83 -1.725 -0.524 0.357 643 HD1 TYR 83 1HD TYR 83 -0.938 -2.017 2.469 644 HD2 TYR 83 2HD TYR 83 -4.940 -0.710 1.708 645 HE1 TYR 83 1HE TYR 83 -1.496 -2.266 4.936 646 HE2 TYR 83 2HE TYR 83 -5.484 -0.964 4.179 647 HH TYR 83 HH TYR 83 -3.702 -2.714 6.245 648 H LEU 84 H LEU 84 -2.740 -2.103 -2.298 649 HA LEU 84 HA LEU 84 -1.208 -0.361 -3.678 650 1HB LEU 84 1HB LEU 84 -2.816 -2.756 -4.470 651 2HB LEU 84 2HB LEU 84 -2.002 -1.823 -5.712 652 HG LEU 84 HG LEU 84 0.144 -2.137 -4.380 653 1HD1 LEU 84 1HD1 LEU 84 -0.271 -2.824 -2.264 654 2HD1 LEU 84 2HD1 LEU 84 -1.743 -3.716 -2.717 655 3HD1 LEU 84 3HD1 LEU 84 -0.141 -4.431 -3.018 656 1HD2 LEU 84 1HD2 LEU 84 -1.268 -4.513 -5.616 657 2HD2 LEU 84 2HD2 LEU 84 -0.193 -3.343 -6.418 658 3HD2 LEU 84 3HD2 LEU 84 0.465 -4.474 -5.211 659 H ALA 85 H ALA 85 -4.780 -0.777 -3.901 660 HA ALA 85 HA ALA 85 -5.066 1.055 -6.039 661 1HB ALA 85 1HB ALA 85 -6.648 -0.820 -5.247 662 2HB ALA 85 2HB ALA 85 -7.172 0.321 -3.984 663 3HB ALA 85 3HB ALA 85 -7.393 0.732 -5.702 664 H VAL 86 H VAL 86 -5.451 1.276 -2.441 665 HA VAL 86 HA VAL 86 -6.323 3.864 -2.285 666 HB VAL 86 HB VAL 86 -4.716 2.047 -0.543 667 1HG1 VAL 86 1HG1 VAL 86 -4.664 3.731 1.254 668 2HG1 VAL 86 2HG1 VAL 86 -3.691 4.237 -0.148 669 3HG1 VAL 86 3HG1 VAL 86 -5.297 4.954 0.126 670 1HG2 VAL 86 1HG2 VAL 86 -7.274 2.019 -0.869 671 2HG2 VAL 86 2HG2 VAL 86 -6.645 1.988 0.795 672 3HG2 VAL 86 3HG2 VAL 86 -7.280 3.504 0.112 673 H GLY 87 H GLY 87 -2.886 2.686 -2.285 674 1HA GLY 87 1HA GLY 87 -1.713 5.235 -2.249 675 2HA GLY 87 2HA GLY 87 -0.964 3.741 -2.776 676 H ASN 88 H ASN 88 -2.366 2.945 -5.003 677 HA ASN 88 HA ASN 88 -1.305 4.461 -6.976 678 1HB ASN 88 1HB ASN 88 -3.425 2.361 -6.781 679 2HB ASN 88 2HB ASN 88 -3.518 3.344 -8.228 680 1HD2 ASN 88 1HD2 ASN 88 -2.243 0.624 -6.921 681 2HD2 ASN 88 2HD2 ASN 88 -0.876 0.357 -7.949 682 H TYR 89 H TYR 89 -4.753 4.368 -5.791 683 HA TYR 89 HA TYR 89 -5.896 6.200 -7.430 684 1HB TYR 89 1HB TYR 89 -7.229 5.068 -5.772 685 2HB TYR 89 2HB TYR 89 -6.084 5.412 -4.491 686 HD1 TYR 89 1HD TYR 89 -6.373 7.280 -3.067 687 HD2 TYR 89 2HD TYR 89 -8.670 6.988 -6.665 688 HE1 TYR 89 1HE TYR 89 -7.805 9.245 -2.321 689 HE2 TYR 89 2HE TYR 89 -10.094 8.953 -5.907 690 HH TYR 89 HH TYR 89 -9.848 10.221 -2.689 691 H ARG 90 H ARG 90 -4.003 6.864 -4.414 692 HA ARG 90 HA ARG 90 -4.450 9.540 -4.304 693 1HB ARG 90 1HB ARG 90 -2.842 7.691 -2.959 694 2HB ARG 90 2HB ARG 90 -1.651 8.763 -3.670 695 1HG ARG 90 1HG ARG 90 -4.046 9.954 -2.249 696 2HG ARG 90 2HG ARG 90 -2.717 9.324 -1.298 697 1HD ARG 90 1HD ARG 90 -1.257 10.998 -1.962 698 2HD ARG 90 2HD ARG 90 -1.927 11.094 -3.578 699 HE ARG 90 HE ARG 90 -3.868 12.027 -1.658 700 1HH1 ARG 90 1HH1 ARG 90 -0.877 12.986 -3.245 701 2HH1 ARG 90 2HH1 ARG 90 -1.196 14.683 -3.103 702 1HH2 ARG 90 1HH2 ARG 90 -4.289 14.265 -1.470 703 2HH2 ARG 90 2HH2 ARG 90 -3.151 15.415 -2.087 704 H LEU 91 H LEU 91 -2.264 7.651 -6.401 705 HA LEU 91 HA LEU 91 -0.941 10.036 -7.362 706 1HB LEU 91 1HB LEU 91 -0.664 7.088 -7.876 707 2HB LEU 91 2HB LEU 91 0.116 8.266 -8.913 708 HG LEU 91 HG LEU 91 1.292 9.193 -6.913 709 1HD1 LEU 91 1HD1 LEU 91 1.332 7.950 -4.830 710 2HD1 LEU 91 2HD1 LEU 91 -0.331 8.456 -5.211 711 3HD1 LEU 91 3HD1 LEU 91 0.169 6.769 -5.480 712 1HD2 LEU 91 1HD2 LEU 91 2.842 7.912 -7.887 713 2HD2 LEU 91 2HD2 LEU 91 2.517 6.759 -6.570 714 3HD2 LEU 91 3HD2 LEU 91 1.709 6.563 -8.144 715 H LYS 92 H LYS 92 -3.987 9.092 -7.687 716 HA LYS 92 HA LYS 92 -5.565 9.492 -9.180 717 1HB LYS 92 1HB LYS 92 -3.313 11.094 -10.277 718 2HB LYS 92 2HB LYS 92 -4.626 10.745 -11.384 719 1HG LYS 92 1HG LYS 92 -5.517 12.642 -10.410 720 2HG LYS 92 2HG LYS 92 -6.128 11.465 -9.264 721 1HD LYS 92 1HD LYS 92 -4.798 12.242 -7.575 722 2HD LYS 92 2HD LYS 92 -3.384 12.333 -8.606 723 1HE LYS 92 1HE LYS 92 -3.629 14.579 -8.812 724 2HE LYS 92 2HE LYS 92 -5.246 14.379 -9.457 725 1HZ LYS 92 1HZ LYS 92 -5.812 13.983 -6.983 726 2HZ LYS 92 2HZ LYS 92 -4.429 14.806 -6.704 727 3HZ LYS 92 3HZ LYS 92 -5.641 15.507 -7.545 728 H GLU 93 H GLU 93 -3.283 7.242 -9.349 729 HA GLU 93 HA GLU 93 -3.544 6.425 -12.053 730 1HB GLU 93 1HB GLU 93 -2.395 5.101 -9.564 731 2HB GLU 93 2HB GLU 93 -2.418 4.299 -11.122 732 1HG GLU 93 1HG GLU 93 -1.112 7.005 -10.563 733 2HG GLU 93 2HG GLU 93 -0.253 5.482 -10.695 734 H TYR 94 H TYR 94 -6.106 6.778 -11.458 735 HA TYR 94 HA TYR 94 -7.543 4.937 -10.070 736 1HB TYR 94 1HB TYR 94 -8.129 5.996 -12.901 737 2HB TYR 94 2HB TYR 94 -9.328 5.597 -11.687 738 HD1 TYR 94 1HD TYR 94 -7.563 6.966 -9.404 739 HD2 TYR 94 2HD TYR 94 -9.082 8.237 -13.197 740 HE1 TYR 94 1HE TYR 94 -7.555 9.380 -8.607 741 HE2 TYR 94 2HE TYR 94 -9.068 10.646 -12.387 742 HH TYR 94 HH TYR 94 -8.534 11.428 -9.066 743 H GLU 95 H GLU 95 -6.369 4.661 -13.490 744 HA GLU 95 HA GLU 95 -7.572 2.415 -14.248 745 1HB GLU 95 1HB GLU 95 -4.676 3.246 -14.690 746 2HB GLU 95 2HB GLU 95 -5.422 1.916 -15.553 747 1HG GLU 95 1HG GLU 95 -6.819 4.600 -15.514 748 2HG GLU 95 2HG GLU 95 -5.444 4.376 -16.577 749 H LYS 96 H LYS 96 -4.197 2.261 -12.897 750 HA LYS 96 HA LYS 96 -4.212 -0.441 -12.416 751 1HB LYS 96 1HB LYS 96 -2.713 1.799 -11.032 752 2HB LYS 96 2HB LYS 96 -2.373 0.100 -10.778 753 1HG LYS 96 1HG LYS 96 -1.548 -0.213 -12.953 754 2HG LYS 96 2HG LYS 96 -2.504 1.094 -13.622 755 1HD LYS 96 1HD LYS 96 -1.061 2.775 -12.542 756 2HD LYS 96 2HD LYS 96 -0.167 1.522 -11.704 757 1HE LYS 96 1HE LYS 96 -0.053 0.762 -14.429 758 2HE LYS 96 2HE LYS 96 0.150 2.503 -14.454 759 1HZ LYS 96 1HZ LYS 96 2.155 2.284 -13.596 760 2HZ LYS 96 2HZ LYS 96 1.649 1.327 -12.374 761 3HZ LYS 96 3HZ LYS 96 2.046 0.670 -13.814 762 H ALA 97 H ALA 97 -5.089 2.259 -10.158 763 HA ALA 97 HA ALA 97 -5.592 0.877 -7.903 764 1HB ALA 97 1HB ALA 97 -7.685 2.632 -7.917 765 2HB ALA 97 2HB ALA 97 -6.001 3.095 -7.576 766 3HB ALA 97 3HB ALA 97 -6.671 3.317 -9.210 767 H LEU 98 H LEU 98 -8.250 1.644 -10.264 768 HA LEU 98 HA LEU 98 -10.098 -0.072 -9.239 769 1HB LEU 98 1HB LEU 98 -9.626 1.309 -11.778 770 2HB LEU 98 2HB LEU 98 -10.586 -0.147 -11.945 771 HG LEU 98 HG LEU 98 -11.265 1.977 -9.908 772 1HD1 LEU 98 1HD1 LEU 98 -11.570 2.072 -12.834 773 2HD1 LEU 98 2HD1 LEU 98 -13.065 2.387 -11.920 774 3HD1 LEU 98 3HD1 LEU 98 -11.614 3.377 -11.625 775 1HD2 LEU 98 1HD2 LEU 98 -13.515 1.006 -10.067 776 2HD2 LEU 98 2HD2 LEU 98 -12.913 -0.193 -11.235 777 3HD2 LEU 98 3HD2 LEU 98 -12.303 -0.197 -9.563 778 H LYS 99 H LYS 99 -7.920 -0.805 -12.061 779 HA LYS 99 HA LYS 99 -8.524 -3.361 -12.501 780 1HB LYS 99 1HB LYS 99 -6.777 -1.956 -13.641 781 2HB LYS 99 2HB LYS 99 -5.678 -2.336 -12.330 782 1HG LYS 99 1HG LYS 99 -5.850 -4.748 -12.817 783 2HG LYS 99 2HG LYS 99 -7.077 -4.451 -14.032 784 1HD LYS 99 1HD LYS 99 -4.665 -2.837 -14.518 785 2HD LYS 99 2HD LYS 99 -4.291 -4.547 -14.454 786 1HE LYS 99 1HE LYS 99 -6.746 -4.088 -15.988 787 2HE LYS 99 2HE LYS 99 -5.428 -3.130 -16.633 788 1HZ LYS 99 1HZ LYS 99 -4.921 -5.913 -15.969 789 2HZ LYS 99 2HZ LYS 99 -5.742 -5.575 -17.339 790 3HZ LYS 99 3HZ LYS 99 -4.235 -4.984 -17.124 791 H TYR 100 H TYR 100 -6.861 -2.062 -9.633 792 HA TYR 100 HA TYR 100 -6.308 -4.742 -8.663 793 1HB TYR 100 1HB TYR 100 -5.582 -1.887 -8.190 794 2HB TYR 100 2HB TYR 100 -5.850 -2.744 -6.685 795 HD1 TYR 100 1HD TYR 100 -3.248 -1.555 -8.166 796 HD2 TYR 100 2HD TYR 100 -4.822 -5.472 -7.473 797 HE1 TYR 100 1HE TYR 100 -0.903 -2.528 -8.297 798 HE2 TYR 100 2HE TYR 100 -2.472 -6.432 -7.606 799 HH TYR 100 HH TYR 100 -0.250 -5.785 -7.376 800 H VAL 101 H VAL 101 -8.438 -1.917 -7.967 801 HA VAL 101 HA VAL 101 -9.532 -3.021 -5.616 802 HB VAL 101 HB VAL 101 -9.727 -0.650 -7.190 803 1HG1 VAL 101 1HG1 VAL 101 -11.833 -1.435 -8.074 804 2HG1 VAL 101 2HG1 VAL 101 -12.402 -1.877 -6.447 805 3HG1 VAL 101 3HG1 VAL 101 -12.157 -0.166 -6.868 806 1HG2 VAL 101 1HG2 VAL 101 -10.938 0.066 -4.951 807 2HG2 VAL 101 2HG2 VAL 101 -10.362 -1.524 -4.394 808 3HG2 VAL 101 3HG2 VAL 101 -9.198 -0.309 -4.976 809 H ARG 102 H ARG 102 -10.700 -2.866 -9.051 810 HA ARG 102 HA ARG 102 -13.037 -4.212 -8.604 811 1HB ARG 102 1HB ARG 102 -11.274 -4.299 -11.106 812 2HB ARG 102 2HB ARG 102 -12.980 -4.700 -11.060 813 1HG ARG 102 1HG ARG 102 -11.816 -1.972 -10.321 814 2HG ARG 102 2HG ARG 102 -12.549 -2.357 -11.865 815 1HD ARG 102 1HD ARG 102 -14.302 -3.120 -9.624 816 2HD ARG 102 2HD ARG 102 -13.886 -1.419 -9.563 817 HE ARG 102 HE ARG 102 -14.537 -1.896 -12.246 818 1HH1 ARG 102 1HH1 ARG 102 -16.175 -2.232 -9.149 819 2HH1 ARG 102 2HH1 ARG 102 -17.753 -1.967 -9.811 820 1HH2 ARG 102 1HH2 ARG 102 -16.620 -1.546 -13.119 821 2HH2 ARG 102 2HH2 ARG 102 -18.008 -1.574 -12.084 822 H GLY 103 H GLY 103 -9.692 -5.365 -8.930 823 1HA GLY 103 1HA GLY 103 -10.448 -8.132 -9.330 824 2HA GLY 103 2HA GLY 103 -8.835 -7.474 -9.146 825 H LEU 104 H LEU 104 -10.209 -5.937 -6.662 826 HA LEU 104 HA LEU 104 -9.483 -8.055 -4.803 827 1HB LEU 104 1HB LEU 104 -8.391 -5.879 -4.619 828 2HB LEU 104 2HB LEU 104 -9.944 -5.096 -4.408 829 HG LEU 104 HG LEU 104 -8.465 -5.572 -2.339 830 1HD1 LEU 104 1HD1 LEU 104 -10.298 -5.008 -1.221 831 2HD1 LEU 104 2HD1 LEU 104 -11.223 -5.269 -2.719 832 3HD1 LEU 104 3HD1 LEU 104 -11.051 -6.590 -1.537 833 1HD2 LEU 104 1HD2 LEU 104 -8.047 -7.953 -2.915 834 2HD2 LEU 104 2HD2 LEU 104 -8.713 -7.718 -1.280 835 3HD2 LEU 104 3HD2 LEU 104 -9.765 -8.295 -2.594 836 H LEU 105 H LEU 105 -12.195 -5.815 -5.622 837 HA LEU 105 HA LEU 105 -13.910 -6.567 -3.597 838 1HB LEU 105 1HB LEU 105 -14.241 -5.451 -6.350 839 2HB LEU 105 2HB LEU 105 -15.663 -5.968 -5.466 840 HG LEU 105 HG LEU 105 -15.142 -3.533 -5.288 841 1HD1 LEU 105 1HD1 LEU 105 -16.552 -4.655 -3.637 842 2HD1 LEU 105 2HD1 LEU 105 -15.113 -5.068 -2.674 843 3HD1 LEU 105 3HD1 LEU 105 -15.583 -3.364 -2.889 844 1HD2 LEU 105 1HD2 LEU 105 -13.317 -2.943 -3.604 845 2HD2 LEU 105 2HD2 LEU 105 -12.676 -4.577 -3.895 846 3HD2 LEU 105 3HD2 LEU 105 -12.796 -3.416 -5.239 847 H GLN 106 H GLN 106 -12.915 -8.264 -6.542 848 HA GLN 106 HA GLN 106 -15.002 -9.969 -6.865 849 1HB GLN 106 1HB GLN 106 -12.172 -9.871 -7.602 850 2HB GLN 106 2HB GLN 106 -12.683 -11.523 -7.324 851 1HG GLN 106 1HG GLN 106 -14.708 -10.032 -8.842 852 2HG GLN 106 2HG GLN 106 -13.151 -9.974 -9.644 853 1HE2 GLN 106 1HE2 GLN 106 -15.539 -11.316 -10.489 854 2HE2 GLN 106 2HE2 GLN 106 -15.193 -13.008 -10.629 855 H THR 107 H THR 107 -12.053 -10.465 -4.795 856 HA THR 107 HA THR 107 -13.285 -12.795 -3.588 857 HB THR 107 HB THR 107 -10.931 -12.980 -4.064 858 HG1 THR 107 1HG THR 107 -11.147 -11.991 -1.316 859 1HG2 THR 107 1HG2 THR 107 -9.403 -11.234 -2.755 860 2HG2 THR 107 2HG2 THR 107 -10.034 -10.810 -4.365 861 3HG2 THR 107 3HG2 THR 107 -10.829 -10.178 -2.902 862 H GLU 108 H GLU 108 -13.521 -9.446 -3.187 863 HA GLU 108 HA GLU 108 -14.577 -9.916 -0.538 864 1HB GLU 108 1HB GLU 108 -12.748 -7.552 -1.125 865 2HB GLU 108 2HB GLU 108 -13.461 -7.970 0.420 866 1HG GLU 108 1HG GLU 108 -11.580 -9.845 -1.080 867 2HG GLU 108 2HG GLU 108 -11.006 -8.664 0.080 868 HA PRO 109 HA PRO 109 -17.191 -7.356 -3.263 869 1HB PRO 109 1HB PRO 109 -19.385 -8.982 -3.352 870 2HB PRO 109 2HB PRO 109 -18.139 -8.987 -4.584 871 1HG PRO 109 1HG PRO 109 -18.635 -10.964 -2.444 872 2HG PRO 109 2HG PRO 109 -17.698 -11.149 -3.913 873 1HD PRO 109 1HD PRO 109 -16.675 -10.753 -1.262 874 2HD PRO 109 2HD PRO 109 -15.744 -10.821 -2.745 875 H GLN 110 H GLN 110 -17.627 -8.926 -0.243 876 HA GLN 110 HA GLN 110 -19.862 -7.288 0.423 877 1HB GLN 110 1HB GLN 110 -19.766 -8.415 2.594 878 2HB GLN 110 2HB GLN 110 -19.601 -9.598 1.313 879 1HG GLN 110 1HG GLN 110 -17.037 -9.335 1.600 880 2HG GLN 110 2HG GLN 110 -17.391 -8.453 3.071 881 1HE2 GLN 110 1HE2 GLN 110 -16.429 -11.304 2.036 882 2HE2 GLN 110 2HE2 GLN 110 -17.122 -12.391 3.194 883 H ASN 111 H ASN 111 -16.324 -7.314 0.922 884 HA ASN 111 HA ASN 111 -16.049 -5.623 2.987 885 1HB ASN 111 1HB ASN 111 -14.146 -6.670 1.774 886 2HB ASN 111 2HB ASN 111 -14.454 -5.667 0.371 887 1HD2 ASN 111 1HD2 ASN 111 -12.000 -5.662 1.453 888 2HD2 ASN 111 2HD2 ASN 111 -11.649 -4.171 2.260 889 H ASN 112 H ASN 112 -16.761 -3.514 3.347 890 HA ASN 112 HA ASN 112 -17.995 -2.106 1.245 891 1HB ASN 112 1HB ASN 112 -17.176 -1.023 3.987 892 2HB ASN 112 2HB ASN 112 -18.448 -0.400 2.956 893 1HD2 ASN 112 1HD2 ASN 112 -17.783 -2.254 5.585 894 2HD2 ASN 112 2HD2 ASN 112 -19.208 -3.233 5.679 895 H GLN 113 H GLN 113 -15.063 -1.583 3.346 896 HA GLN 113 HA GLN 113 -14.162 0.743 2.441 897 1HB GLN 113 1HB GLN 113 -12.513 -1.765 2.984 898 2HB GLN 113 2HB GLN 113 -11.833 -0.154 2.867 899 1HG GLN 113 1HG GLN 113 -13.310 0.600 4.748 900 2HG GLN 113 2HG GLN 113 -13.975 -1.016 4.870 901 1HE2 GLN 113 1HE2 GLN 113 -13.181 -2.131 6.466 902 2HE2 GLN 113 2HE2 GLN 113 -11.558 -2.105 7.071 903 H ALA 114 H ALA 114 -13.673 -2.460 0.820 904 HA ALA 114 HA ALA 114 -12.143 -1.427 -1.302 905 1HB ALA 114 1HB ALA 114 -12.872 -3.916 -0.337 906 2HB ALA 114 2HB ALA 114 -13.777 -3.814 -1.867 907 3HB ALA 114 3HB ALA 114 -12.010 -3.614 -1.864 908 H LYS 115 H LYS 115 -15.665 -1.912 -0.754 909 HA LYS 115 HA LYS 115 -16.459 -1.379 -3.381 910 1HB LYS 115 1HB LYS 115 -17.764 -1.452 -0.694 911 2HB LYS 115 2HB LYS 115 -18.626 -0.653 -1.995 912 1HG LYS 115 1HG LYS 115 -17.957 -2.843 -3.374 913 2HG LYS 115 2HG LYS 115 -17.777 -3.549 -1.780 914 1HD LYS 115 1HD LYS 115 -20.031 -3.651 -1.457 915 2HD LYS 115 2HD LYS 115 -20.262 -1.992 -1.971 916 1HE LYS 115 1HE LYS 115 -19.801 -3.000 -4.404 917 2HE LYS 115 2HE LYS 115 -20.258 -4.512 -3.647 918 1HZ LYS 115 1HZ LYS 115 -21.929 -2.137 -3.330 919 2HZ LYS 115 2HZ LYS 115 -22.064 -3.080 -4.658 920 3HZ LYS 115 3HZ LYS 115 -22.351 -3.707 -3.177 921 H GLU 116 H GLU 116 -16.353 0.791 -0.466 922 HA GLU 116 HA GLU 116 -17.158 3.062 -1.660 923 1HB GLU 116 1HB GLU 116 -15.554 2.348 0.701 924 2HB GLU 116 2HB GLU 116 -15.120 3.922 0.066 925 1HG GLU 116 1HG GLU 116 -17.679 4.408 -0.010 926 2HG GLU 116 2HG GLU 116 -17.864 2.978 0.985 927 H LEU 117 H LEU 117 -13.681 2.042 -1.279 928 HA LEU 117 HA LEU 117 -12.468 4.029 -2.629 929 1HB LEU 117 1HB LEU 117 -11.445 2.064 -1.466 930 2HB LEU 117 2HB LEU 117 -11.776 1.101 -2.893 931 HG LEU 117 HG LEU 117 -10.225 2.306 -4.215 932 1HD1 LEU 117 1HD1 LEU 117 -10.592 4.561 -3.798 933 2HD1 LEU 117 2HD1 LEU 117 -10.356 4.384 -2.043 934 3HD1 LEU 117 3HD1 LEU 117 -8.960 4.293 -3.142 935 1HD2 LEU 117 1HD2 LEU 117 -8.114 2.250 -2.766 936 2HD2 LEU 117 2HD2 LEU 117 -9.184 1.724 -1.444 937 3HD2 LEU 117 3HD2 LEU 117 -9.049 0.744 -2.925 938 H GLU 118 H GLU 118 -13.602 0.951 -4.207 939 HA GLU 118 HA GLU 118 -13.080 1.586 -6.745 940 1HB GLU 118 1HB GLU 118 -13.979 -0.577 -6.185 941 2HB GLU 118 2HB GLU 118 -15.464 0.114 -5.562 942 1HG GLU 118 1HG GLU 118 -14.795 0.756 -8.418 943 2HG GLU 118 2HG GLU 118 -15.236 -0.906 -8.079 944 H ARG 119 H ARG 119 -15.803 2.786 -4.740 945 HA ARG 119 HA ARG 119 -17.049 4.048 -6.942 946 1HB ARG 119 1HB ARG 119 -17.508 3.771 -4.013 947 2HB ARG 119 2HB ARG 119 -18.061 5.299 -4.668 948 1HG ARG 119 1HG ARG 119 -18.946 3.446 -6.576 949 2HG ARG 119 2HG ARG 119 -19.154 2.580 -5.066 950 1HD ARG 119 1HD ARG 119 -20.093 5.453 -5.229 951 2HD ARG 119 2HD ARG 119 -21.067 4.207 -5.981 952 HE ARG 119 HE ARG 119 -20.680 4.622 -3.111 953 1HH1 ARG 119 1HH1 ARG 119 -21.539 2.268 -5.581 954 2HH1 ARG 119 2HH1 ARG 119 -22.424 1.254 -4.490 955 1HH2 ARG 119 1HH2 ARG 119 -21.847 3.286 -1.670 956 2HH2 ARG 119 2HH2 ARG 119 -22.600 1.838 -2.251 957 H LEU 120 H LEU 120 -14.792 4.964 -4.303 958 HA LEU 120 HA LEU 120 -14.940 7.720 -4.571 959 1HB LEU 120 1HB LEU 120 -12.645 5.941 -3.740 960 2HB LEU 120 2HB LEU 120 -12.669 7.683 -3.552 961 HG LEU 120 HG LEU 120 -14.744 5.869 -2.304 962 1HD1 LEU 120 1HD1 LEU 120 -13.189 6.664 -0.214 963 2HD1 LEU 120 2HD1 LEU 120 -13.065 5.089 -1.036 964 3HD1 LEU 120 3HD1 LEU 120 -11.966 6.416 -1.483 965 1HD2 LEU 120 1HD2 LEU 120 -15.367 8.243 -2.594 966 2HD2 LEU 120 2HD2 LEU 120 -15.240 7.765 -0.883 967 3HD2 LEU 120 3HD2 LEU 120 -13.940 8.716 -1.642 968 H ILE 121 H ILE 121 -12.640 5.372 -6.122 969 HA ILE 121 HA ILE 121 -11.330 7.262 -7.670 970 HB ILE 121 HB ILE 121 -11.806 4.312 -8.089 971 1HG1 ILE 121 1HG1 ILE 121 -9.119 5.127 -7.374 972 2HG1 ILE 121 2HG1 ILE 121 -10.270 5.714 -6.189 973 1HG2 ILE 121 1HG2 ILE 121 -10.947 4.522 -10.124 974 2HG2 ILE 121 2HG2 ILE 121 -10.664 6.263 -9.885 975 3HG2 ILE 121 3HG2 ILE 121 -9.433 5.084 -9.375 976 1HD1 ILE 121 1HD1 ILE 121 -11.025 3.545 -5.639 977 2HD1 ILE 121 2HD1 ILE 121 -10.464 2.856 -7.181 978 3HD1 ILE 121 3HD1 ILE 121 -9.286 3.292 -5.920 979 H ASP 122 H ASP 122 -14.245 5.241 -8.377 980 HA ASP 122 HA ASP 122 -14.621 5.830 -10.951 981 1HB ASP 122 1HB ASP 122 -16.089 4.513 -9.207 982 2HB ASP 122 2HB ASP 122 -16.930 6.034 -8.987 983 H LYS 123 H LYS 123 -15.189 7.900 -8.072 984 HA LYS 123 HA LYS 123 -16.467 9.965 -9.616 985 1HB LYS 123 1HB LYS 123 -15.790 9.518 -6.730 986 2HB LYS 123 2HB LYS 123 -16.093 11.153 -7.279 987 1HG LYS 123 1HG LYS 123 -18.134 9.535 -8.458 988 2HG LYS 123 2HG LYS 123 -18.002 9.009 -6.792 989 1HD LYS 123 1HD LYS 123 -19.532 10.789 -6.623 990 2HD LYS 123 2HD LYS 123 -18.020 11.567 -6.200 991 1HE LYS 123 1HE LYS 123 -17.768 12.394 -8.534 992 2HE LYS 123 2HE LYS 123 -19.240 11.568 -9.003 993 1HZ LYS 123 1HZ LYS 123 -20.145 12.966 -6.989 994 2HZ LYS 123 2HZ LYS 123 -18.921 13.958 -7.420 995 3HZ LYS 123 3HZ LYS 123 -20.080 13.573 -8.503 996 H ALA 124 H ALA 124 -13.312 9.461 -7.905 997 HA ALA 124 HA ALA 124 -12.121 11.837 -8.309 998 1HB ALA 124 1HB ALA 124 -10.393 9.554 -9.026 999 2HB ALA 124 2HB ALA 124 -10.267 10.702 -7.672 1000 3HB ALA 124 3HB ALA 124 -11.351 9.295 -7.548 1001 H MET 125 H MET 125 -12.668 9.244 -10.746 1002 HA MET 125 HA MET 125 -11.129 10.356 -12.745 1003 1HB MET 125 1HB MET 125 -13.723 8.722 -12.907 1004 2HB MET 125 2HB MET 125 -12.624 8.954 -14.251 1005 1HG MET 125 1HG MET 125 -11.044 8.044 -12.025 1006 2HG MET 125 2HG MET 125 -12.460 7.014 -12.103 1007 1HE MET 125 1HE MET 125 -11.200 5.231 -12.325 1008 2HE MET 125 2HE MET 125 -11.665 4.524 -13.892 1009 3HE MET 125 3HE MET 125 -9.951 4.847 -13.535 1010 H LYS 126 H LYS 126 -14.750 10.520 -12.366 1011 HA LYS 126 HA LYS 126 -14.895 12.618 -14.307 1012 1HB LYS 126 1HB LYS 126 -16.887 11.157 -12.578 1013 2HB LYS 126 2HB LYS 126 -17.354 12.589 -13.473 1014 1HG LYS 126 1HG LYS 126 -17.829 10.659 -14.869 1015 2HG LYS 126 2HG LYS 126 -16.477 11.512 -15.584 1016 1HD LYS 126 1HD LYS 126 -14.962 9.829 -15.090 1017 2HD LYS 126 2HD LYS 126 -15.758 9.401 -13.589 1018 1HE LYS 126 1HE LYS 126 -17.619 8.329 -14.906 1019 2HE LYS 126 2HE LYS 126 -16.771 8.718 -16.390 1020 1HZ LYS 126 1HZ LYS 126 -14.977 7.342 -15.721 1021 2HZ LYS 126 2HZ LYS 126 -15.608 7.096 -14.235 1022 3HZ LYS 126 3HZ LYS 126 -16.348 6.471 -15.550 1023 H LYS 127 H LYS 127 -13.092 13.666 -12.714 1024 HA LYS 127 HA LYS 127 -14.572 15.763 -11.362 1025 1HB LYS 127 1HB LYS 127 -12.626 13.913 -9.981 1026 2HB LYS 127 2HB LYS 127 -12.895 15.548 -9.410 1027 1HG LYS 127 1HG LYS 127 -15.291 15.120 -9.109 1028 2HG LYS 127 2HG LYS 127 -15.156 13.552 -9.878 1029 1HD LYS 127 1HD LYS 127 -14.530 12.570 -7.929 1030 2HD LYS 127 2HD LYS 127 -13.231 13.723 -7.700 1031 1HE LYS 127 1HE LYS 127 -14.622 15.249 -6.504 1032 2HE LYS 127 2HE LYS 127 -16.099 14.536 -7.121 1033 1HZ LYS 127 1HZ LYS 127 -14.233 13.209 -5.278 1034 2HZ LYS 127 2HZ LYS 127 -15.663 13.878 -4.860 1035 3HZ LYS 127 3HZ LYS 127 -15.628 12.569 -5.836 1036 H SER 128 H SER 128 -11.254 14.441 -12.048 1037 HA SER 128 HA SER 128 -10.683 16.658 -13.681 1038 1HB SER 128 1HB SER 128 -10.158 16.986 -10.875 1039 2HB SER 128 2HB SER 128 -8.609 16.818 -11.676 1040 HG SER 128 HG SER 128 -10.601 18.838 -11.982 1041 H GLY 129 H GLY 129 -9.332 15.820 -15.232 1042 1HA GLY 129 1HA GLY 129 -7.104 14.144 -14.506 1043 2HA GLY 129 2HA GLY 129 -8.391 13.279 -15.322 1044 HA PRO 130 HA PRO 130 -5.755 15.532 -18.388 1045 1HB PRO 130 1HB PRO 130 -4.205 13.492 -19.341 1046 2HB PRO 130 2HB PRO 130 -3.656 14.623 -18.121 1047 1HG PRO 130 1HG PRO 130 -4.501 11.809 -17.793 1048 2HG PRO 130 2HG PRO 130 -3.564 12.810 -16.699 1049 1HD PRO 130 1HD PRO 130 -6.335 12.113 -16.441 1050 2HD PRO 130 2HD PRO 130 -5.428 13.205 -15.413 1051 H SER 131 H SER 131 -6.330 15.851 -20.498 1052 HA SER 131 HA SER 131 -8.547 14.302 -21.270 1053 1HB SER 131 1HB SER 131 -6.917 16.491 -22.594 1054 2HB SER 131 2HB SER 131 -8.186 15.668 -23.478 1055 HG SER 131 HG SER 131 -9.398 16.257 -21.245 1056 H SER 132 H SER 132 -8.619 12.459 -22.532 1057 HA SER 132 HA SER 132 -6.480 11.957 -24.360 1058 1HB SER 132 1HB SER 132 -6.618 10.624 -21.738 1059 2HB SER 132 2HB SER 132 -6.646 9.473 -23.059 1060 HG SER 132 HG SER 132 -4.754 11.034 -23.853 1061 H GLY 133 H GLY 133 -7.080 10.339 -25.964 1062 1HA GLY 133 1HA GLY 133 -9.161 8.583 -25.919 1063 2HA GLY 133 2HA GLY 133 -9.925 10.109 -26.312 Start of MODEL 17 1 H GLY 1 H GLY 1 -21.995 0.572 -1.704 2 1HA GLY 1 1HA GLY 1 -24.921 0.824 -1.328 3 2HA GLY 1 2HA GLY 1 -23.812 0.256 -0.095 4 H SER 2 H SER 2 -23.217 1.748 1.411 5 HA SER 2 HA SER 2 -22.373 4.306 0.646 6 1HB SER 2 1HB SER 2 -25.131 4.163 0.840 7 2HB SER 2 2HB SER 2 -24.696 4.667 2.462 8 HG SER 2 HG SER 2 -23.961 6.585 1.734 9 H SER 3 H SER 3 -22.022 5.700 2.792 10 HA SER 3 HA SER 3 -22.085 4.429 5.239 11 1HB SER 3 1HB SER 3 -20.337 2.965 4.129 12 2HB SER 3 2HB SER 3 -19.313 4.377 3.969 13 HG SER 3 HG SER 3 -18.823 3.110 5.888 14 H GLY 4 H GLY 4 -20.904 5.756 6.933 15 1HA GLY 4 1HA GLY 4 -19.758 8.268 6.052 16 2HA GLY 4 2HA GLY 4 -21.333 8.404 6.806 17 H SER 5 H SER 5 -18.067 6.903 7.303 18 HA SER 5 HA SER 5 -17.625 8.044 9.719 19 1HB SER 5 1HB SER 5 -19.320 5.587 9.908 20 2HB SER 5 2HB SER 5 -17.978 5.675 11.032 21 HG SER 5 HG SER 5 -19.793 6.657 12.003 22 H SER 6 H SER 6 -15.900 6.572 11.050 23 HA SER 6 HA SER 6 -13.744 6.251 9.553 24 1HB SER 6 1HB SER 6 -14.618 4.669 12.000 25 2HB SER 6 2HB SER 6 -13.017 4.488 11.311 26 HG SER 6 HG SER 6 -13.088 6.079 13.039 27 H GLY 7 H GLY 7 -13.367 5.084 7.707 28 1HA GLY 7 1HA GLY 7 -13.661 2.265 7.641 29 2HA GLY 7 2HA GLY 7 -14.970 3.028 6.758 30 H MET 8 H MET 8 -14.418 4.574 4.984 31 HA MET 8 HA MET 8 -11.789 3.923 3.891 32 1HB MET 8 1HB MET 8 -13.558 2.879 2.548 33 2HB MET 8 2HB MET 8 -14.508 4.352 2.548 34 1HG MET 8 1HG MET 8 -13.512 4.876 0.570 35 2HG MET 8 2HG MET 8 -12.042 5.177 1.475 36 1HE MET 8 1HE MET 8 -9.941 2.249 1.335 37 2HE MET 8 2HE MET 8 -9.723 3.641 0.246 38 3HE MET 8 3HE MET 8 -10.335 3.891 1.898 39 H GLU 9 H GLU 9 -14.328 6.394 4.408 40 HA GLU 9 HA GLU 9 -12.946 8.402 2.997 41 1HB GLU 9 1HB GLU 9 -15.498 8.082 4.137 42 2HB GLU 9 2HB GLU 9 -14.778 9.373 5.078 43 1HG GLU 9 1HG GLU 9 -14.306 10.680 3.069 44 2HG GLU 9 2HG GLU 9 -14.753 9.344 2.028 45 H ALA 10 H ALA 10 -12.482 6.886 6.056 46 HA ALA 10 HA ALA 10 -11.238 9.234 7.237 47 1HB ALA 10 1HB ALA 10 -10.829 7.054 8.919 48 2HB ALA 10 2HB ALA 10 -12.166 8.224 9.031 49 3HB ALA 10 3HB ALA 10 -12.394 6.694 8.151 50 H VAL 11 H VAL 11 -10.397 5.826 6.300 51 HA VAL 11 HA VAL 11 -7.692 6.012 6.831 52 HB VAL 11 HB VAL 11 -8.878 3.938 6.426 53 1HG1 VAL 11 1HG1 VAL 11 -8.935 4.483 3.464 54 2HG1 VAL 11 2HG1 VAL 11 -9.854 3.291 4.414 55 3HG1 VAL 11 3HG1 VAL 11 -10.273 5.018 4.509 56 1HG2 VAL 11 1HG2 VAL 11 -6.914 3.999 4.166 57 2HG2 VAL 11 2HG2 VAL 11 -6.337 4.388 5.804 58 3HG2 VAL 11 3HG2 VAL 11 -7.109 2.816 5.482 59 H LEU 12 H LEU 12 -9.454 6.572 3.701 60 HA LEU 12 HA LEU 12 -7.151 7.384 2.323 61 1HB LEU 12 1HB LEU 12 -10.103 7.578 1.883 62 2HB LEU 12 2HB LEU 12 -9.024 8.494 0.852 63 HG LEU 12 HG LEU 12 -9.144 5.491 1.187 64 1HD1 LEU 12 1HD1 LEU 12 -9.335 6.974 -1.414 65 2HD1 LEU 12 2HD1 LEU 12 -9.992 5.385 -0.954 66 3HD1 LEU 12 3HD1 LEU 12 -10.751 6.873 -0.341 67 1HD2 LEU 12 1HD2 LEU 12 -7.329 5.529 -0.629 68 2HD2 LEU 12 2HD2 LEU 12 -7.019 7.199 -0.095 69 3HD2 LEU 12 3HD2 LEU 12 -6.840 5.851 1.052 70 H ASN 13 H ASN 13 -8.891 8.854 4.874 71 HA ASN 13 HA ASN 13 -8.334 11.522 3.973 72 1HB ASN 13 1HB ASN 13 -10.019 10.240 6.011 73 2HB ASN 13 2HB ASN 13 -9.107 11.558 6.718 74 1HD2 ASN 13 1HD2 ASN 13 -10.413 11.065 3.446 75 2HD2 ASN 13 2HD2 ASN 13 -11.413 12.478 3.390 76 H GLU 14 H GLU 14 -7.843 9.913 7.203 77 HA GLU 14 HA GLU 14 -5.800 11.462 8.034 78 1HB GLU 14 1HB GLU 14 -7.132 9.189 8.961 79 2HB GLU 14 2HB GLU 14 -5.472 8.640 8.842 80 1HG GLU 14 1HG GLU 14 -5.061 11.084 10.005 81 2HG GLU 14 2HG GLU 14 -6.661 10.732 10.627 82 H LEU 15 H LEU 15 -3.547 11.532 7.808 83 HA LEU 15 HA LEU 15 -2.457 9.644 5.838 84 1HB LEU 15 1HB LEU 15 -0.878 11.479 5.256 85 2HB LEU 15 2HB LEU 15 -2.549 11.748 4.804 86 HG LEU 15 HG LEU 15 -2.700 13.088 7.034 87 1HD1 LEU 15 1HD1 LEU 15 0.294 12.978 6.607 88 2HD1 LEU 15 2HD1 LEU 15 -0.529 14.199 7.607 89 3HD1 LEU 15 3HD1 LEU 15 -0.625 12.477 8.046 90 1HD2 LEU 15 1HD2 LEU 15 -1.282 14.041 4.540 91 2HD2 LEU 15 2HD2 LEU 15 -3.006 14.185 4.957 92 3HD2 LEU 15 3HD2 LEU 15 -1.792 15.129 5.853 93 H VAL 16 H VAL 16 -0.102 9.167 6.116 94 HA VAL 16 HA VAL 16 0.385 8.580 8.873 95 HB VAL 16 HB VAL 16 1.035 7.466 6.439 96 1HG1 VAL 16 1HG1 VAL 16 3.705 8.154 7.633 97 2HG1 VAL 16 2HG1 VAL 16 3.298 7.623 5.984 98 3HG1 VAL 16 3HG1 VAL 16 2.933 9.287 6.499 99 1HG2 VAL 16 1HG2 VAL 16 1.340 6.893 9.245 100 2HG2 VAL 16 2HG2 VAL 16 1.150 5.768 7.878 101 3HG2 VAL 16 3HG2 VAL 16 2.773 6.319 8.358 102 H SER 17 H SER 17 2.165 9.331 10.157 103 HA SER 17 HA SER 17 3.130 11.917 9.217 104 1HB SER 17 1HB SER 17 3.094 11.071 12.127 105 2HB SER 17 2HB SER 17 3.131 12.694 11.464 106 HG SER 17 HG SER 17 0.918 10.855 11.587 107 H VAL 18 H VAL 18 5.385 12.508 9.872 108 HA VAL 18 HA VAL 18 7.223 10.591 9.222 109 HB VAL 18 HB VAL 18 7.563 13.038 10.966 110 1HG1 VAL 18 1HG1 VAL 18 9.496 11.549 11.135 111 2HG1 VAL 18 2HG1 VAL 18 9.610 11.470 9.360 112 3HG1 VAL 18 3HG1 VAL 18 9.908 13.009 10.204 113 1HG2 VAL 18 1HG2 VAL 18 6.592 13.775 8.946 114 2HG2 VAL 18 2HG2 VAL 18 8.340 14.035 8.738 115 3HG2 VAL 18 3HG2 VAL 18 7.550 12.637 7.969 116 H GLU 19 H GLU 19 5.924 11.506 12.453 117 HA GLU 19 HA GLU 19 7.633 10.215 14.063 118 1HB GLU 19 1HB GLU 19 5.150 11.397 14.341 119 2HB GLU 19 2HB GLU 19 4.783 9.733 14.751 120 1HG GLU 19 1HG GLU 19 7.299 10.637 15.993 121 2HG GLU 19 2HG GLU 19 5.946 11.652 16.451 122 H ASP 20 H ASP 20 4.581 8.698 12.770 123 HA ASP 20 HA ASP 20 5.299 6.157 13.615 124 1HB ASP 20 1HB ASP 20 3.378 7.193 11.493 125 2HB ASP 20 2HB ASP 20 3.545 5.476 11.801 126 H LEU 21 H LEU 21 5.361 7.785 10.355 127 HA LEU 21 HA LEU 21 6.251 5.824 8.764 128 1HB LEU 21 1HB LEU 21 5.767 8.280 8.281 129 2HB LEU 21 2HB LEU 21 7.439 8.591 8.701 130 HG LEU 21 HG LEU 21 7.338 8.454 6.341 131 1HD1 LEU 21 1HD1 LEU 21 8.996 6.905 5.879 132 2HD1 LEU 21 2HD1 LEU 21 9.157 7.126 7.638 133 3HD1 LEU 21 3HD1 LEU 21 8.323 5.690 6.994 134 1HD2 LEU 21 1HD2 LEU 21 5.149 6.820 6.702 135 2HD2 LEU 21 2HD2 LEU 21 5.925 7.206 5.147 136 3HD2 LEU 21 3HD2 LEU 21 6.363 5.715 6.014 137 H LYS 22 H LYS 22 8.293 7.808 10.998 138 HA LYS 22 HA LYS 22 10.685 6.502 10.287 139 1HB LYS 22 1HB LYS 22 9.820 8.284 12.557 140 2HB LYS 22 2HB LYS 22 11.398 7.523 12.576 141 1HG LYS 22 1HG LYS 22 10.987 8.610 9.935 142 2HG LYS 22 2HG LYS 22 10.549 9.852 11.093 143 1HD LYS 22 1HD LYS 22 12.843 9.004 12.270 144 2HD LYS 22 2HD LYS 22 13.218 8.547 10.620 145 1HE LYS 22 1HE LYS 22 13.716 10.702 10.124 146 2HE LYS 22 2HE LYS 22 12.075 11.180 10.509 147 1HZ LYS 22 1HZ LYS 22 14.142 12.032 11.855 148 2HZ LYS 22 2HZ LYS 22 12.679 11.842 12.554 149 3HZ LYS 22 3HZ LYS 22 13.830 10.700 12.748 150 H ASN 23 H ASN 23 8.423 6.127 13.101 151 HA ASN 23 HA ASN 23 9.672 4.258 14.496 152 1HB ASN 23 1HB ASN 23 6.979 5.155 14.206 153 2HB ASN 23 2HB ASN 23 6.888 3.408 14.105 154 1HD2 ASN 23 1HD2 ASN 23 5.654 3.915 16.130 155 2HD2 ASN 23 2HD2 ASN 23 6.515 3.895 17.633 156 H PHE 24 H PHE 24 7.959 3.870 11.362 157 HA PHE 24 HA PHE 24 8.337 1.003 11.397 158 1HB PHE 24 1HB PHE 24 7.040 3.141 9.651 159 2HB PHE 24 2HB PHE 24 7.346 1.568 8.942 160 HD1 PHE 24 1HD PHE 24 5.272 3.463 11.230 161 HD2 PHE 24 2HD PHE 24 6.206 -0.440 9.848 162 HE1 PHE 24 1HE PHE 24 3.131 2.602 12.216 163 HE2 PHE 24 2HE PHE 24 4.064 -1.300 10.834 164 HZ PHE 24 HZ PHE 24 2.552 0.231 12.006 165 H GLU 25 H GLU 25 9.250 3.789 9.238 166 HA GLU 25 HA GLU 25 10.828 2.450 7.526 167 1HB GLU 25 1HB GLU 25 10.181 4.984 7.685 168 2HB GLU 25 2HB GLU 25 11.667 5.160 8.598 169 1HG GLU 25 1HG GLU 25 12.973 4.205 6.720 170 2HG GLU 25 2HG GLU 25 11.503 3.912 5.814 171 H ARG 26 H ARG 26 11.495 3.294 10.908 172 HA ARG 26 HA ARG 26 14.258 2.951 10.764 173 1HB ARG 26 1HB ARG 26 13.773 3.996 12.759 174 2HB ARG 26 2HB ARG 26 12.186 3.262 12.869 175 1HG ARG 26 1HG ARG 26 13.060 1.237 13.824 176 2HG ARG 26 2HG ARG 26 14.701 1.622 13.349 177 1HD ARG 26 1HD ARG 26 14.958 3.256 15.050 178 2HD ARG 26 2HD ARG 26 13.232 3.496 15.224 179 HE ARG 26 HE ARG 26 13.638 0.818 15.922 180 1HH1 ARG 26 1HH1 ARG 26 14.853 3.921 17.052 181 2HH1 ARG 26 2HH1 ARG 26 15.096 3.379 18.678 182 1HH2 ARG 26 1HH2 ARG 26 13.959 0.102 18.068 183 2HH2 ARG 26 2HH2 ARG 26 14.585 1.191 19.260 184 H LYS 27 H LYS 27 11.490 0.769 11.558 185 HA LYS 27 HA LYS 27 13.053 -1.425 12.336 186 1HB LYS 27 1HB LYS 27 10.402 -0.789 12.403 187 2HB LYS 27 2HB LYS 27 10.419 -1.957 11.097 188 1HG LYS 27 1HG LYS 27 11.165 -3.705 12.470 189 2HG LYS 27 2HG LYS 27 11.977 -2.628 13.589 190 1HD LYS 27 1HD LYS 27 9.949 -2.015 14.678 191 2HD LYS 27 2HD LYS 27 8.954 -2.543 13.335 192 1HE LYS 27 1HE LYS 27 10.319 -4.883 14.057 193 2HE LYS 27 2HE LYS 27 10.028 -4.109 15.602 194 1HZ LYS 27 1HZ LYS 27 8.106 -5.076 13.662 195 2HZ LYS 27 2HZ LYS 27 8.089 -5.200 15.290 196 3HZ LYS 27 3HZ LYS 27 7.678 -3.790 14.573 197 H PHE 28 H PHE 28 11.633 -0.419 9.168 198 HA PHE 28 HA PHE 28 12.371 -2.663 7.737 199 1HB PHE 28 1HB PHE 28 10.892 -0.643 7.099 200 2HB PHE 28 2HB PHE 28 12.358 0.294 6.886 201 HD1 PHE 28 1HD PHE 28 10.629 -2.757 5.647 202 HD2 PHE 28 2HD PHE 28 13.455 0.301 4.825 203 HE1 PHE 28 1HE PHE 28 10.779 -3.535 3.266 204 HE2 PHE 28 2HE PHE 28 13.605 -0.479 2.443 205 HZ PHE 28 HZ PHE 28 12.265 -2.387 1.692 206 H GLN 29 H GLN 29 14.225 0.317 8.556 207 HA GLN 29 HA GLN 29 16.379 -0.340 6.883 208 1HB GLN 29 1HB GLN 29 16.005 1.587 9.197 209 2HB GLN 29 2HB GLN 29 17.571 1.394 8.436 210 1HG GLN 29 1HG GLN 29 16.136 1.722 6.186 211 2HG GLN 29 2HG GLN 29 15.021 2.519 7.278 212 1HE2 GLN 29 1HE2 GLN 29 15.267 4.602 7.412 213 2HE2 GLN 29 2HE2 GLN 29 16.740 5.505 7.278 214 H SER 30 H SER 30 16.100 -0.342 10.517 215 HA SER 30 HA SER 30 18.457 -1.529 11.056 216 1HB SER 30 1HB SER 30 16.443 -0.677 12.582 217 2HB SER 30 2HB SER 30 16.011 -2.375 12.615 218 HG SER 30 HG SER 30 18.490 -1.172 13.488 219 H GLU 31 H GLU 31 15.262 -3.194 10.527 220 HA GLU 31 HA GLU 31 16.113 -5.745 10.848 221 1HB GLU 31 1HB GLU 31 13.993 -4.550 9.027 222 2HB GLU 31 2HB GLU 31 14.221 -6.283 9.150 223 1HG GLU 31 1HG GLU 31 13.963 -4.691 11.705 224 2HG GLU 31 2HG GLU 31 12.515 -4.985 10.762 225 H GLN 32 H GLN 32 16.518 -3.565 8.043 226 HA GLN 32 HA GLN 32 17.252 -5.511 6.212 227 1HB GLN 32 1HB GLN 32 16.725 -2.894 6.010 228 2HB GLN 32 2HB GLN 32 18.469 -2.755 6.108 229 1HG GLN 32 1HG GLN 32 18.747 -4.266 4.178 230 2HG GLN 32 2HG GLN 32 17.023 -4.575 4.126 231 1HE2 GLN 32 1HE2 GLN 32 17.713 -3.824 1.858 232 2HE2 GLN 32 2HE2 GLN 32 17.471 -2.149 1.493 233 H ALA 33 H ALA 33 19.336 -3.256 8.171 234 HA ALA 33 HA ALA 33 21.731 -4.539 7.425 235 1HB ALA 33 1HB ALA 33 20.826 -2.328 9.108 236 2HB ALA 33 2HB ALA 33 22.153 -3.235 9.872 237 3HB ALA 33 3HB ALA 33 22.369 -2.541 8.247 238 H ALA 34 H ALA 34 19.137 -5.532 9.412 239 HA ALA 34 HA ALA 34 20.656 -6.885 11.405 240 1HB ALA 34 1HB ALA 34 17.920 -7.835 10.786 241 2HB ALA 34 2HB ALA 34 18.612 -7.260 12.321 242 3HB ALA 34 3HB ALA 34 18.044 -6.088 11.109 243 H GLY 35 H GLY 35 19.375 -7.623 8.154 244 1HA GLY 35 1HA GLY 35 21.101 -9.522 7.401 245 2HA GLY 35 2HA GLY 35 19.999 -10.448 8.399 246 H SER 36 H SER 36 17.630 -8.712 7.771 247 HA SER 36 HA SER 36 17.175 -8.392 5.127 248 1HB SER 36 1HB SER 36 16.937 -11.256 5.977 249 2HB SER 36 2HB SER 36 15.651 -10.641 4.957 250 HG SER 36 HG SER 36 17.493 -11.589 3.778 251 H VAL 37 H VAL 37 15.129 -7.435 4.894 252 HA VAL 37 HA VAL 37 13.649 -7.071 7.312 253 HB VAL 37 HB VAL 37 13.472 -6.074 4.483 254 1HG1 VAL 37 1HG1 VAL 37 11.229 -5.960 4.740 255 2HG1 VAL 37 2HG1 VAL 37 11.314 -6.144 6.507 256 3HG1 VAL 37 3HG1 VAL 37 11.609 -4.554 5.763 257 1HG2 VAL 37 1HG2 VAL 37 14.690 -4.393 5.293 258 2HG2 VAL 37 2HG2 VAL 37 13.431 -4.040 6.501 259 3HG2 VAL 37 3HG2 VAL 37 14.731 -5.194 6.882 260 H SER 38 H SER 38 11.554 -7.808 7.806 261 HA SER 38 HA SER 38 10.856 -10.189 6.331 262 1HB SER 38 1HB SER 38 9.668 -9.091 8.917 263 2HB SER 38 2HB SER 38 9.387 -10.687 8.250 264 HG SER 38 HG SER 38 11.585 -11.234 8.607 265 H LYS 39 H LYS 39 8.668 -10.553 5.513 266 HA LYS 39 HA LYS 39 7.595 -8.531 4.067 267 1HB LYS 39 1HB LYS 39 5.532 -9.945 3.980 268 2HB LYS 39 2HB LYS 39 7.017 -10.796 3.609 269 1HG LYS 39 1HG LYS 39 7.035 -11.365 6.197 270 2HG LYS 39 2HG LYS 39 5.334 -10.948 6.126 271 1HD LYS 39 1HD LYS 39 6.396 -12.827 4.021 272 2HD LYS 39 2HD LYS 39 6.211 -13.454 5.648 273 1HE LYS 39 1HE LYS 39 3.804 -12.166 5.366 274 2HE LYS 39 2HE LYS 39 4.113 -12.589 3.694 275 1HZ LYS 39 1HZ LYS 39 3.019 -14.393 4.640 276 2HZ LYS 39 2HZ LYS 39 4.577 -14.876 4.558 277 3HZ LYS 39 3HZ LYS 39 3.942 -14.403 5.987 278 H SER 40 H SER 40 6.606 -9.584 7.391 279 HA SER 40 HA SER 40 4.499 -8.068 7.839 280 1HB SER 40 1HB SER 40 6.578 -9.244 9.443 281 2HB SER 40 2HB SER 40 6.235 -7.660 10.109 282 HG SER 40 HG SER 40 3.842 -8.479 9.771 283 H THR 41 H THR 41 7.891 -6.872 8.450 284 HA THR 41 HA THR 41 7.106 -4.204 8.854 285 HB THR 41 HB THR 41 9.755 -5.529 8.073 286 HG1 THR 41 1HG THR 41 8.621 -4.415 10.540 287 1HG2 THR 41 1HG2 THR 41 10.500 -3.362 7.822 288 2HG2 THR 41 2HG2 THR 41 9.011 -2.683 8.522 289 3HG2 THR 41 3HG2 THR 41 10.311 -3.264 9.590 290 H GLN 42 H GLN 42 7.928 -6.066 5.920 291 HA GLN 42 HA GLN 42 8.351 -3.948 4.241 292 1HB GLN 42 1HB GLN 42 8.687 -6.420 3.760 293 2HB GLN 42 2HB GLN 42 6.957 -6.561 3.517 294 1HG GLN 42 1HG GLN 42 6.979 -5.262 1.551 295 2HG GLN 42 2HG GLN 42 8.448 -4.416 1.997 296 1HE2 GLN 42 1HE2 GLN 42 8.084 -5.510 -0.495 297 2HE2 GLN 42 2HE2 GLN 42 9.171 -6.835 -0.746 298 H PHE 43 H PHE 43 5.261 -5.867 4.452 299 HA PHE 43 HA PHE 43 3.730 -4.095 3.015 300 1HB PHE 43 1HB PHE 43 2.796 -6.239 3.496 301 2HB PHE 43 2HB PHE 43 3.343 -6.206 5.160 302 HD1 PHE 43 1HD PHE 43 0.714 -5.129 2.846 303 HD2 PHE 43 2HD PHE 43 2.005 -5.166 6.888 304 HE1 PHE 43 1HE PHE 43 -1.584 -4.443 3.587 305 HE2 PHE 43 2HE PHE 43 -0.293 -4.481 7.629 306 HZ PHE 43 HZ PHE 43 -2.060 -4.126 5.969 307 H GLU 44 H GLU 44 4.767 -3.994 6.418 308 HA GLU 44 HA GLU 44 2.829 -2.208 7.297 309 1HB GLU 44 1HB GLU 44 5.568 -3.045 8.248 310 2HB GLU 44 2HB GLU 44 4.805 -1.664 9.010 311 1HG GLU 44 1HG GLU 44 2.787 -3.047 9.518 312 2HG GLU 44 2HG GLU 44 3.531 -4.429 8.736 313 H TYR 45 H TYR 45 6.332 -1.324 7.110 314 HA TYR 45 HA TYR 45 6.115 1.330 6.989 315 1HB TYR 45 1HB TYR 45 8.258 0.116 6.956 316 2HB TYR 45 2HB TYR 45 7.846 -0.690 5.456 317 HD1 TYR 45 1HD TYR 45 8.135 2.860 6.670 318 HD2 TYR 45 2HD TYR 45 9.023 0.018 3.597 319 HE1 TYR 45 1HE TYR 45 9.371 4.654 5.357 320 HE2 TYR 45 2HE TYR 45 10.255 1.822 2.296 321 HH TYR 45 HH TYR 45 10.488 5.131 3.579 322 H ALA 46 H ALA 46 5.774 -0.898 4.156 323 HA ALA 46 HA ALA 46 5.506 1.115 2.242 324 1HB ALA 46 1HB ALA 46 5.794 -1.554 2.172 325 2HB ALA 46 2HB ALA 46 4.031 -1.473 1.942 326 3HB ALA 46 3HB ALA 46 5.116 -0.639 0.804 327 H TRP 47 H TRP 47 3.092 -0.632 4.288 328 HA TRP 47 HA TRP 47 0.807 0.421 3.146 329 1HB TRP 47 1HB TRP 47 0.615 -1.387 4.640 330 2HB TRP 47 2HB TRP 47 1.461 -0.542 5.921 331 HD1 TRP 47 HD TRP 47 -0.340 -0.171 7.783 332 HE1 TRP 47 1HE TRP 47 -2.791 0.782 7.996 333 HE3 TRP 47 3HE TRP 47 -1.079 0.487 2.796 334 HZ2 TRP 47 2HZ TRP 47 -4.721 1.683 6.097 335 HZ3 TRP 47 3HZ TRP 47 -3.275 1.408 2.059 336 HH2 TRP 47 HH TRP 47 -5.061 1.999 3.618 337 H CYS 48 H CYS 48 3.144 1.751 5.524 338 HA CYS 48 HA CYS 48 1.615 3.935 6.317 339 1HB CYS 48 1HB CYS 48 4.448 3.105 6.510 340 2HB CYS 48 2HB CYS 48 4.192 4.838 6.554 341 HG CYS 48 HG CYS 48 3.485 2.480 8.617 342 H LEU 49 H LEU 49 4.284 3.636 3.853 343 HA LEU 49 HA LEU 49 4.359 6.122 2.862 344 1HB LEU 49 1HB LEU 49 4.539 3.447 1.507 345 2HB LEU 49 2HB LEU 49 4.732 4.932 0.596 346 HG LEU 49 HG LEU 49 6.852 5.124 1.226 347 1HD1 LEU 49 1HD1 LEU 49 7.538 5.102 3.661 348 2HD1 LEU 49 2HD1 LEU 49 6.309 6.307 3.204 349 3HD1 LEU 49 3HD1 LEU 49 5.825 4.821 4.053 350 1HD2 LEU 49 1HD2 LEU 49 6.777 2.669 2.945 351 2HD2 LEU 49 2HD2 LEU 49 6.454 2.533 1.200 352 3HD2 LEU 49 3HD2 LEU 49 8.001 3.206 1.768 353 H VAL 50 H VAL 50 1.959 3.581 1.887 354 HA VAL 50 HA VAL 50 0.545 5.404 0.224 355 HB VAL 50 HB VAL 50 -1.092 3.568 0.098 356 1HG1 VAL 50 1HG1 VAL 50 1.695 3.479 -0.664 357 2HG1 VAL 50 2HG1 VAL 50 1.081 1.832 -0.382 358 3HG1 VAL 50 3HG1 VAL 50 0.261 2.901 -1.547 359 1HG2 VAL 50 1HG2 VAL 50 0.725 2.181 2.098 360 2HG2 VAL 50 2HG2 VAL 50 -0.940 2.735 2.393 361 3HG2 VAL 50 3HG2 VAL 50 -0.631 1.426 1.227 362 H ARG 51 H ARG 51 0.766 6.949 2.341 363 HA ARG 51 HA ARG 51 -1.875 7.333 3.117 364 1HB ARG 51 1HB ARG 51 -0.220 5.675 4.908 365 2HB ARG 51 2HB ARG 51 -0.799 7.113 5.725 366 1HG ARG 51 1HG ARG 51 -3.053 6.511 5.510 367 2HG ARG 51 2HG ARG 51 -2.779 5.579 4.050 368 1HD ARG 51 1HD ARG 51 -3.294 4.174 6.106 369 2HD ARG 51 2HD ARG 51 -1.805 3.737 5.292 370 HE ARG 51 HE ARG 51 -0.893 5.545 7.126 371 1HH1 ARG 51 1HH1 ARG 51 -3.047 2.780 7.449 372 2HH1 ARG 51 2HH1 ARG 51 -2.595 2.459 9.091 373 1HH2 ARG 51 1HH2 ARG 51 -0.298 5.121 9.291 374 2HH2 ARG 51 2HH2 ARG 51 -1.021 3.799 10.145 375 H SER 52 H SER 52 1.628 7.808 3.786 376 HA SER 52 HA SER 52 1.676 10.024 5.241 377 1HB SER 52 1HB SER 52 3.607 8.713 4.116 378 2HB SER 52 2HB SER 52 3.384 9.771 2.737 379 HG SER 52 HG SER 52 3.746 10.841 5.389 380 H LYS 53 H LYS 53 2.047 12.391 4.604 381 HA LYS 53 HA LYS 53 -0.116 13.215 2.939 382 1HB LYS 53 1HB LYS 53 0.356 15.398 3.720 383 2HB LYS 53 2HB LYS 53 0.620 14.325 5.079 384 1HG LYS 53 1HG LYS 53 2.947 14.587 5.026 385 2HG LYS 53 2HG LYS 53 2.983 14.921 3.305 386 1HD LYS 53 1HD LYS 53 2.861 17.159 3.663 387 2HD LYS 53 2HD LYS 53 1.431 16.981 4.659 388 1HE LYS 53 1HE LYS 53 2.931 16.324 6.602 389 2HE LYS 53 2HE LYS 53 4.323 16.662 5.592 390 1HZ LYS 53 1HZ LYS 53 2.588 18.828 5.456 391 2HZ LYS 53 2HZ LYS 53 2.804 18.462 7.033 392 3HZ LYS 53 3HZ LYS 53 4.095 18.778 6.084 393 H TYR 54 H TYR 54 3.071 12.180 2.335 394 HA TYR 54 HA TYR 54 3.398 13.933 0.028 395 1HB TYR 54 1HB TYR 54 5.008 11.772 1.508 396 2HB TYR 54 2HB TYR 54 5.584 12.443 -0.006 397 HD1 TYR 54 1HD TYR 54 6.923 14.361 0.007 398 HD2 TYR 54 2HD TYR 54 4.496 13.493 3.421 399 HE1 TYR 54 1HE TYR 54 8.011 16.277 1.276 400 HE2 TYR 54 2HE TYR 54 5.592 15.410 4.679 401 HH TYR 54 HH TYR 54 8.288 17.190 3.260 402 H ASN 55 H ASN 55 4.000 12.948 -2.096 403 HA ASN 55 HA ASN 55 2.278 10.668 -2.535 404 1HB ASN 55 1HB ASN 55 3.709 12.434 -4.589 405 2HB ASN 55 2HB ASN 55 2.423 11.292 -4.925 406 1HD2 ASN 55 1HD2 ASN 55 0.492 12.101 -5.143 407 2HD2 ASN 55 2HD2 ASN 55 -0.128 13.557 -4.438 408 H GLU 56 H GLU 56 5.635 11.918 -3.071 409 HA GLU 56 HA GLU 56 6.678 9.904 -4.532 410 1HB GLU 56 1HB GLU 56 7.657 12.069 -2.919 411 2HB GLU 56 2HB GLU 56 8.621 10.658 -2.534 412 1HG GLU 56 1HG GLU 56 8.921 10.283 -5.048 413 2HG GLU 56 2HG GLU 56 8.134 11.827 -5.311 414 H ASP 57 H ASP 57 5.790 9.918 -1.092 415 HA ASP 57 HA ASP 57 7.269 7.622 -0.436 416 1HB ASP 57 1HB ASP 57 4.818 8.914 0.846 417 2HB ASP 57 2HB ASP 57 5.696 7.585 1.576 418 H ILE 58 H ILE 58 3.713 8.280 -0.945 419 HA ILE 58 HA ILE 58 2.574 5.927 -0.662 420 HB ILE 58 HB ILE 58 2.227 7.957 -2.847 421 1HG1 ILE 58 1HG1 ILE 58 0.430 7.253 -0.514 422 2HG1 ILE 58 2HG1 ILE 58 1.696 8.462 -0.419 423 1HG2 ILE 58 1HG2 ILE 58 0.420 5.574 -2.360 424 2HG2 ILE 58 2HG2 ILE 58 0.173 6.887 -3.535 425 3HG2 ILE 58 3HG2 ILE 58 1.532 5.756 -3.738 426 1HD1 ILE 58 1HD1 ILE 58 0.222 9.960 -1.265 427 2HD1 ILE 58 2HD1 ILE 58 0.298 9.073 -2.806 428 3HD1 ILE 58 3HD1 ILE 58 -0.959 8.674 -1.611 429 H ARG 59 H ARG 59 4.354 6.837 -3.695 430 HA ARG 59 HA ARG 59 4.044 4.568 -5.059 431 1HB ARG 59 1HB ARG 59 5.425 6.736 -5.592 432 2HB ARG 59 2HB ARG 59 6.781 5.892 -4.873 433 1HG ARG 59 1HG ARG 59 6.386 3.979 -6.488 434 2HG ARG 59 2HG ARG 59 5.123 4.925 -7.250 435 1HD ARG 59 1HD ARG 59 6.718 6.659 -7.912 436 2HD ARG 59 2HD ARG 59 7.993 5.928 -6.957 437 HE ARG 59 HE ARG 59 6.840 4.143 -8.991 438 1HH1 ARG 59 1HH1 ARG 59 9.328 6.526 -8.280 439 2HH1 ARG 59 2HH1 ARG 59 10.372 6.008 -9.561 440 1HH2 ARG 59 1HH2 ARG 59 8.217 3.457 -10.682 441 2HH2 ARG 59 2HH2 ARG 59 9.735 4.249 -10.937 442 H ARG 60 H ARG 60 6.678 5.248 -2.640 443 HA ARG 60 HA ARG 60 7.968 2.874 -2.830 444 1HB ARG 60 1HB ARG 60 7.596 4.927 -0.658 445 2HB ARG 60 2HB ARG 60 8.296 3.395 -0.174 446 1HG ARG 60 1HG ARG 60 10.299 4.020 -1.024 447 2HG ARG 60 2HG ARG 60 9.591 4.167 -2.621 448 1HD ARG 60 1HD ARG 60 8.935 6.498 -2.180 449 2HD ARG 60 2HD ARG 60 9.432 6.367 -0.505 450 HE ARG 60 HE ARG 60 11.673 6.624 -1.158 451 1HH1 ARG 60 1HH1 ARG 60 9.695 5.927 -3.984 452 2HH1 ARG 60 2HH1 ARG 60 10.968 6.252 -5.113 453 1HH2 ARG 60 1HH2 ARG 60 13.352 7.052 -2.648 454 2HH2 ARG 60 2HH2 ARG 60 13.063 6.896 -4.347 455 H GLY 61 H GLY 61 4.930 3.703 -1.143 456 1HA GLY 61 1HA GLY 61 4.773 1.322 0.423 457 2HA GLY 61 2HA GLY 61 3.497 2.481 0.105 458 H ILE 62 H ILE 62 4.651 1.801 -2.932 459 HA ILE 62 HA ILE 62 2.553 -0.180 -3.335 460 HB ILE 62 HB ILE 62 4.102 1.514 -5.298 461 1HG1 ILE 62 1HG1 ILE 62 1.313 1.838 -4.154 462 2HG1 ILE 62 2HG1 ILE 62 2.691 2.876 -3.848 463 1HG2 ILE 62 1HG2 ILE 62 1.540 0.108 -5.951 464 2HG2 ILE 62 2HG2 ILE 62 2.860 0.641 -7.020 465 3HG2 ILE 62 3HG2 ILE 62 3.072 -0.798 -5.994 466 1HD1 ILE 62 1HD1 ILE 62 1.160 3.814 -5.590 467 2HD1 ILE 62 2HD1 ILE 62 2.797 3.520 -6.224 468 3HD1 ILE 62 3HD1 ILE 62 1.478 2.388 -6.607 469 H VAL 63 H VAL 63 5.867 0.408 -4.714 470 HA VAL 63 HA VAL 63 6.481 -1.879 -5.800 471 HB VAL 63 HB VAL 63 8.148 -0.267 -5.663 472 1HG1 VAL 63 1HG1 VAL 63 8.850 0.900 -3.808 473 2HG1 VAL 63 2HG1 VAL 63 7.183 0.508 -3.322 474 3HG1 VAL 63 3HG1 VAL 63 8.542 -0.457 -2.697 475 1HG2 VAL 63 1HG2 VAL 63 9.136 -2.434 -3.781 476 2HG2 VAL 63 2HG2 VAL 63 8.986 -2.621 -5.545 477 3HG2 VAL 63 3HG2 VAL 63 10.114 -1.420 -4.869 478 H LEU 64 H LEU 64 6.946 -1.471 -2.212 479 HA LEU 64 HA LEU 64 7.461 -4.111 -1.673 480 1HB LEU 64 1HB LEU 64 5.881 -2.496 0.271 481 2HB LEU 64 2HB LEU 64 7.252 -3.554 0.539 482 HG LEU 64 HG LEU 64 7.297 -0.749 -0.596 483 1HD1 LEU 64 1HD1 LEU 64 7.868 -1.963 2.047 484 2HD1 LEU 64 2HD1 LEU 64 9.010 -0.721 1.481 485 3HD1 LEU 64 3HD1 LEU 64 7.279 -0.338 1.623 486 1HD2 LEU 64 1HD2 LEU 64 9.626 -2.663 -0.278 487 2HD2 LEU 64 2HD2 LEU 64 8.898 -2.146 -1.819 488 3HD2 LEU 64 3HD2 LEU 64 9.720 -0.958 -0.779 489 H LEU 65 H LEU 65 4.252 -2.412 -1.457 490 HA LEU 65 HA LEU 65 2.754 -4.626 -0.839 491 1HB LEU 65 1HB LEU 65 2.337 -1.923 -1.674 492 2HB LEU 65 2HB LEU 65 1.242 -2.957 -2.569 493 HG LEU 65 HG LEU 65 0.123 -3.677 -0.652 494 1HD1 LEU 65 1HD1 LEU 65 1.595 -4.452 0.897 495 2HD1 LEU 65 2HD1 LEU 65 2.673 -3.043 0.751 496 3HD1 LEU 65 3HD1 LEU 65 1.161 -2.914 1.680 497 1HD2 LEU 65 1HD2 LEU 65 0.828 -0.785 -0.639 498 2HD2 LEU 65 2HD2 LEU 65 -0.749 -1.589 -0.835 499 3HD2 LEU 65 3HD2 LEU 65 -0.026 -1.429 0.783 500 H GLU 66 H GLU 66 3.742 -3.371 -4.082 501 HA GLU 66 HA GLU 66 2.350 -5.398 -5.441 502 1HB GLU 66 1HB GLU 66 4.516 -3.424 -6.239 503 2HB GLU 66 2HB GLU 66 3.912 -4.614 -7.375 504 1HG GLU 66 1HG GLU 66 1.579 -3.767 -7.011 505 2HG GLU 66 2HG GLU 66 2.195 -2.566 -5.892 506 H GLU 67 H GLU 67 5.263 -5.358 -3.608 507 HA GLU 67 HA GLU 67 6.461 -7.480 -5.140 508 1HB GLU 67 1HB GLU 67 7.308 -5.761 -2.810 509 2HB GLU 67 2HB GLU 67 8.128 -7.290 -3.063 510 1HG GLU 67 1HG GLU 67 8.033 -6.193 -5.642 511 2HG GLU 67 2HG GLU 67 8.301 -4.789 -4.627 512 H LEU 68 H LEU 68 4.648 -6.919 -2.119 513 HA LEU 68 HA LEU 68 5.103 -9.613 -1.204 514 1HB LEU 68 1HB LEU 68 3.266 -7.469 -0.131 515 2HB LEU 68 2HB LEU 68 3.707 -8.963 0.671 516 HG LEU 68 HG LEU 68 5.937 -7.151 -0.123 517 1HD1 LEU 68 1HD1 LEU 68 4.965 -5.356 0.807 518 2HD1 LEU 68 2HD1 LEU 68 3.729 -6.326 1.642 519 3HD1 LEU 68 3HD1 LEU 68 5.354 -6.155 2.350 520 1HD2 LEU 68 1HD2 LEU 68 7.061 -8.098 1.661 521 2HD2 LEU 68 2HD2 LEU 68 5.563 -8.493 2.538 522 3HD2 LEU 68 3HD2 LEU 68 6.035 -9.443 1.108 523 H LEU 69 H LEU 69 3.045 -8.000 -3.439 524 HA LEU 69 HA LEU 69 0.633 -9.274 -3.099 525 1HB LEU 69 1HB LEU 69 1.988 -7.733 -5.107 526 2HB LEU 69 2HB LEU 69 1.136 -9.059 -5.874 527 HG LEU 69 HG LEU 69 -0.352 -7.234 -5.883 528 1HD1 LEU 69 1HD1 LEU 69 -1.747 -8.225 -3.585 529 2HD1 LEU 69 2HD1 LEU 69 -2.068 -8.516 -5.312 530 3HD1 LEU 69 3HD1 LEU 69 -0.956 -9.583 -4.420 531 1HD2 LEU 69 1HD2 LEU 69 0.705 -5.744 -4.338 532 2HD2 LEU 69 2HD2 LEU 69 -0.978 -5.986 -3.809 533 3HD2 LEU 69 3HD2 LEU 69 0.349 -6.823 -2.967 534 HA PRO 70 HA PRO 70 2.247 -12.883 -5.649 535 1HB PRO 70 1HB PRO 70 4.801 -12.910 -6.622 536 2HB PRO 70 2HB PRO 70 3.425 -12.357 -7.556 537 1HG PRO 70 1HG PRO 70 5.548 -10.759 -6.260 538 2HG PRO 70 2HG PRO 70 4.433 -10.282 -7.525 539 1HD PRO 70 1HD PRO 70 4.277 -9.585 -4.747 540 2HD PRO 70 2HD PRO 70 3.102 -9.206 -5.990 541 H LYS 71 H LYS 71 4.374 -11.437 -3.380 542 HA LYS 71 HA LYS 71 5.330 -14.055 -2.553 543 1HB LYS 71 1HB LYS 71 6.083 -11.215 -1.860 544 2HB LYS 71 2HB LYS 71 6.640 -12.569 -0.897 545 1HG LYS 71 1HG LYS 71 7.371 -13.601 -3.221 546 2HG LYS 71 2HG LYS 71 7.233 -11.956 -3.809 547 1HD LYS 71 1HD LYS 71 8.757 -11.249 -1.859 548 2HD LYS 71 2HD LYS 71 9.031 -12.954 -1.555 549 1HE LYS 71 1HE LYS 71 9.387 -12.210 -4.404 550 2HE LYS 71 2HE LYS 71 10.490 -11.369 -3.333 551 1HZ LYS 71 1HZ LYS 71 11.649 -13.224 -3.280 552 2HZ LYS 71 2HZ LYS 71 10.439 -13.967 -2.473 553 3HZ LYS 71 3HZ LYS 71 10.514 -14.063 -4.101 554 H GLY 72 H GLY 72 2.437 -13.099 -2.355 555 1HA GLY 72 1HA GLY 72 2.057 -12.841 0.522 556 2HA GLY 72 2HA GLY 72 0.836 -12.758 -0.733 557 H SER 73 H SER 73 -0.182 -14.227 1.084 558 HA SER 73 HA SER 73 0.678 -16.970 0.627 559 1HB SER 73 1HB SER 73 -0.637 -15.541 2.924 560 2HB SER 73 2HB SER 73 -1.048 -17.229 2.686 561 HG SER 73 HG SER 73 1.606 -17.136 2.438 562 H LYS 74 H LYS 74 -2.341 -14.998 1.161 563 HA LYS 74 HA LYS 74 -3.597 -15.839 -1.156 564 1HB LYS 74 1HB LYS 74 -3.598 -17.876 0.860 565 2HB LYS 74 2HB LYS 74 -5.236 -17.278 0.683 566 1HG LYS 74 1HG LYS 74 -3.484 -18.071 -1.689 567 2HG LYS 74 2HG LYS 74 -4.585 -19.183 -0.899 568 1HD LYS 74 1HD LYS 74 -6.511 -17.740 -1.438 569 2HD LYS 74 2HD LYS 74 -5.451 -16.509 -2.096 570 1HE LYS 74 1HE LYS 74 -5.313 -17.571 -4.107 571 2HE LYS 74 2HE LYS 74 -4.918 -19.103 -3.353 572 1HZ LYS 74 1HZ LYS 74 -7.118 -18.841 -4.599 573 2HZ LYS 74 2HZ LYS 74 -7.115 -19.658 -3.184 574 3HZ LYS 74 3HZ LYS 74 -7.657 -18.118 -3.237 575 H GLU 75 H GLU 75 -4.694 -15.613 2.304 576 HA GLU 75 HA GLU 75 -6.657 -13.718 1.531 577 1HB GLU 75 1HB GLU 75 -5.780 -14.964 4.147 578 2HB GLU 75 2HB GLU 75 -6.881 -13.601 4.161 579 1HG GLU 75 1HG GLU 75 -8.499 -14.805 2.768 580 2HG GLU 75 2HG GLU 75 -7.370 -16.119 2.506 581 H GLU 76 H GLU 76 -3.341 -13.484 1.962 582 HA GLU 76 HA GLU 76 -3.384 -10.985 3.365 583 1HB GLU 76 1HB GLU 76 -1.198 -12.720 2.172 584 2HB GLU 76 2HB GLU 76 -0.847 -11.101 2.744 585 1HG GLU 76 1HG GLU 76 -2.393 -12.941 4.570 586 2HG GLU 76 2HG GLU 76 -0.678 -13.236 4.370 587 H GLN 77 H GLN 77 -3.585 -12.165 0.088 588 HA GLN 77 HA GLN 77 -2.447 -9.915 -1.152 589 1HB GLN 77 1HB GLN 77 -3.905 -12.367 -1.967 590 2HB GLN 77 2HB GLN 77 -4.167 -11.001 -3.033 591 1HG GLN 77 1HG GLN 77 -1.521 -10.729 -2.861 592 2HG GLN 77 2HG GLN 77 -1.572 -12.408 -2.363 593 1HE2 GLN 77 1HE2 GLN 77 -0.504 -13.087 -4.198 594 2HE2 GLN 77 2HE2 GLN 77 -1.247 -13.173 -5.760 595 H ARG 78 H ARG 78 -5.561 -10.628 0.305 596 HA ARG 78 HA ARG 78 -7.018 -8.741 -1.176 597 1HB ARG 78 1HB ARG 78 -7.485 -10.173 1.474 598 2HB ARG 78 2HB ARG 78 -8.632 -8.992 0.874 599 1HG ARG 78 1HG ARG 78 -9.511 -10.967 -0.027 600 2HG ARG 78 2HG ARG 78 -8.533 -10.396 -1.365 601 1HD ARG 78 1HD ARG 78 -7.112 -12.179 -1.227 602 2HD ARG 78 2HD ARG 78 -6.948 -12.023 0.510 603 HE ARG 78 HE ARG 78 -8.641 -13.892 -0.851 604 1HH1 ARG 78 1HH1 ARG 78 -8.669 -11.750 1.941 605 2HH1 ARG 78 2HH1 ARG 78 -9.809 -12.709 2.825 606 1HH2 ARG 78 1HH2 ARG 78 -10.145 -15.156 0.315 607 2HH2 ARG 78 2HH2 ARG 78 -10.654 -14.659 1.894 608 H ASP 79 H ASP 79 -5.013 -8.690 1.770 609 HA ASP 79 HA ASP 79 -5.974 -6.156 2.607 610 1HB ASP 79 1HB ASP 79 -3.693 -7.986 3.409 611 2HB ASP 79 2HB ASP 79 -3.747 -6.351 4.036 612 H TYR 80 H TYR 80 -3.758 -7.371 0.235 613 HA TYR 80 HA TYR 80 -1.957 -5.122 0.315 614 1HB TYR 80 1HB TYR 80 -2.504 -7.546 -1.499 615 2HB TYR 80 2HB TYR 80 -1.238 -6.393 -1.875 616 HD1 TYR 80 1HD TYR 80 -0.597 -9.229 -1.560 617 HD2 TYR 80 2HD TYR 80 -0.870 -6.156 1.404 618 HE1 TYR 80 1HE TYR 80 1.018 -10.510 -0.071 619 HE2 TYR 80 2HE TYR 80 0.745 -7.448 2.882 620 HH TYR 80 HH TYR 80 1.608 -9.525 3.215 621 H VAL 81 H VAL 81 -3.837 -6.522 -2.452 622 HA VAL 81 HA VAL 81 -3.821 -4.458 -4.119 623 HB VAL 81 HB VAL 81 -6.281 -6.085 -3.450 624 1HG1 VAL 81 1HG1 VAL 81 -5.500 -4.327 -5.738 625 2HG1 VAL 81 2HG1 VAL 81 -6.396 -5.822 -6.103 626 3HG1 VAL 81 3HG1 VAL 81 -7.096 -4.613 -5.000 627 1HG2 VAL 81 1HG2 VAL 81 -3.680 -6.842 -4.590 628 2HG2 VAL 81 2HG2 VAL 81 -4.978 -7.856 -3.913 629 3HG2 VAL 81 3HG2 VAL 81 -5.068 -7.305 -5.604 630 H PHE 82 H PHE 82 -6.282 -4.828 -1.469 631 HA PHE 82 HA PHE 82 -7.755 -2.647 -1.772 632 1HB PHE 82 1HB PHE 82 -7.830 -4.305 0.126 633 2HB PHE 82 2HB PHE 82 -6.335 -3.654 0.767 634 HD1 PHE 82 1HD PHE 82 -9.467 -2.012 -0.441 635 HD2 PHE 82 2HD PHE 82 -6.766 -2.612 2.775 636 HE1 PHE 82 1HE PHE 82 -10.773 -0.389 0.958 637 HE2 PHE 82 2HE PHE 82 -8.072 -0.989 4.175 638 HZ PHE 82 HZ PHE 82 -10.060 0.104 3.250 639 H TYR 83 H TYR 83 -4.420 -2.680 -0.372 640 HA TYR 83 HA TYR 83 -4.459 0.148 0.083 641 1HB TYR 83 1HB TYR 83 -2.429 -2.157 0.075 642 2HB TYR 83 2HB TYR 83 -1.902 -0.515 0.388 643 HD1 TYR 83 1HD TYR 83 -1.137 -2.021 2.498 644 HD2 TYR 83 2HD TYR 83 -5.137 -0.738 1.688 645 HE1 TYR 83 1HE TYR 83 -1.732 -2.301 4.953 646 HE2 TYR 83 2HE TYR 83 -5.718 -1.020 4.146 647 HH TYR 83 HH TYR 83 -3.916 -2.769 6.234 648 H LEU 84 H LEU 84 -2.866 -2.100 -2.277 649 HA LEU 84 HA LEU 84 -1.356 -0.300 -3.644 650 1HB LEU 84 1HB LEU 84 -2.840 -2.771 -4.485 651 2HB LEU 84 2HB LEU 84 -1.915 -1.842 -5.648 652 HG LEU 84 HG LEU 84 0.029 -2.101 -3.894 653 1HD1 LEU 84 1HD1 LEU 84 -1.156 -3.077 -2.078 654 2HD1 LEU 84 2HD1 LEU 84 -1.853 -4.340 -3.121 655 3HD1 LEU 84 3HD1 LEU 84 -0.110 -4.344 -2.763 656 1HD2 LEU 84 1HD2 LEU 84 -0.166 -3.032 -6.245 657 2HD2 LEU 84 2HD2 LEU 84 0.872 -3.936 -5.116 658 3HD2 LEU 84 3HD2 LEU 84 -0.760 -4.535 -5.500 659 H ALA 85 H ALA 85 -4.890 -0.730 -3.680 660 HA ALA 85 HA ALA 85 -5.231 0.972 -5.965 661 1HB ALA 85 1HB ALA 85 -7.357 0.175 -3.960 662 2HB ALA 85 2HB ALA 85 -7.529 0.497 -5.703 663 3HB ALA 85 3HB ALA 85 -6.719 -0.988 -5.147 664 H VAL 86 H VAL 86 -5.253 1.236 -2.395 665 HA VAL 86 HA VAL 86 -6.400 3.802 -2.298 666 HB VAL 86 HB VAL 86 -4.874 2.006 -0.474 667 1HG1 VAL 86 1HG1 VAL 86 -4.950 3.757 1.313 668 2HG1 VAL 86 2HG1 VAL 86 -3.793 4.107 0.006 669 3HG1 VAL 86 3HG1 VAL 86 -5.358 4.954 0.061 670 1HG2 VAL 86 1HG2 VAL 86 -6.849 1.997 0.798 671 2HG2 VAL 86 2HG2 VAL 86 -7.433 3.515 0.074 672 3HG2 VAL 86 3HG2 VAL 86 -7.418 2.017 -0.889 673 H GLY 87 H GLY 87 -2.997 2.597 -2.451 674 1HA GLY 87 1HA GLY 87 -1.814 5.173 -2.271 675 2HA GLY 87 2HA GLY 87 -1.055 3.685 -2.801 676 H ASN 88 H ASN 88 -2.519 2.922 -5.042 677 HA ASN 88 HA ASN 88 -1.409 4.459 -6.995 678 1HB ASN 88 1HB ASN 88 -3.559 2.368 -6.855 679 2HB ASN 88 2HB ASN 88 -3.554 3.337 -8.315 680 1HD2 ASN 88 1HD2 ASN 88 -1.470 1.435 -6.171 681 2HD2 ASN 88 2HD2 ASN 88 -0.381 0.842 -7.379 682 H TYR 89 H TYR 89 -4.815 4.388 -5.717 683 HA TYR 89 HA TYR 89 -5.989 6.202 -7.387 684 1HB TYR 89 1HB TYR 89 -7.324 5.061 -5.740 685 2HB TYR 89 2HB TYR 89 -6.170 5.376 -4.460 686 HD1 TYR 89 1HD TYR 89 -8.856 6.904 -6.516 687 HD2 TYR 89 2HD TYR 89 -6.343 7.324 -3.078 688 HE1 TYR 89 1HE TYR 89 -10.265 8.864 -5.715 689 HE2 TYR 89 2HE TYR 89 -7.761 9.281 -2.290 690 HH TYR 89 HH TYR 89 -9.403 11.052 -3.835 691 H ARG 90 H ARG 90 -4.131 6.861 -4.343 692 HA ARG 90 HA ARG 90 -4.579 9.529 -4.223 693 1HB ARG 90 1HB ARG 90 -2.992 7.694 -2.866 694 2HB ARG 90 2HB ARG 90 -1.777 8.723 -3.599 695 1HG ARG 90 1HG ARG 90 -4.136 9.987 -2.176 696 2HG ARG 90 2HG ARG 90 -2.801 9.354 -1.234 697 1HD ARG 90 1HD ARG 90 -1.329 10.996 -1.946 698 2HD ARG 90 2HD ARG 90 -2.014 11.067 -3.558 699 HE ARG 90 HE ARG 90 -2.840 12.652 -1.241 700 1HH1 ARG 90 1HH1 ARG 90 -3.863 11.375 -4.356 701 2HH1 ARG 90 2HH1 ARG 90 -5.086 12.578 -4.591 702 1HH2 ARG 90 1HH2 ARG 90 -4.452 14.241 -1.551 703 2HH2 ARG 90 2HH2 ARG 90 -5.423 14.220 -2.985 704 H LEU 91 H LEU 91 -2.456 7.672 -6.387 705 HA LEU 91 HA LEU 91 -1.185 10.108 -7.343 706 1HB LEU 91 1HB LEU 91 -0.707 7.272 -8.247 707 2HB LEU 91 2HB LEU 91 0.310 8.675 -8.518 708 HG LEU 91 HG LEU 91 -0.255 7.726 -5.716 709 1HD1 LEU 91 1HD1 LEU 91 0.724 5.952 -7.496 710 2HD1 LEU 91 2HD1 LEU 91 2.234 6.754 -6.998 711 3HD1 LEU 91 3HD1 LEU 91 1.187 5.991 -5.777 712 1HD2 LEU 91 1HD2 LEU 91 0.961 9.550 -5.306 713 2HD2 LEU 91 2HD2 LEU 91 2.357 8.616 -5.895 714 3HD2 LEU 91 3HD2 LEU 91 1.477 9.696 -7.003 715 H LYS 92 H LYS 92 -4.140 9.442 -7.652 716 HA LYS 92 HA LYS 92 -5.712 9.465 -9.209 717 1HB LYS 92 1HB LYS 92 -5.509 11.121 -10.882 718 2HB LYS 92 2HB LYS 92 -4.544 11.682 -9.531 719 1HG LYS 92 1HG LYS 92 -2.498 11.230 -10.619 720 2HG LYS 92 2HG LYS 92 -3.204 10.024 -11.676 721 1HD LYS 92 1HD LYS 92 -4.602 12.037 -12.654 722 2HD LYS 92 2HD LYS 92 -3.398 13.047 -11.878 723 1HE LYS 92 1HE LYS 92 -1.592 11.756 -13.105 724 2HE LYS 92 2HE LYS 92 -2.846 10.866 -13.947 725 1HZ LYS 92 1HZ LYS 92 -3.007 12.538 -15.343 726 2HZ LYS 92 2HZ LYS 92 -3.414 13.575 -14.150 727 3HZ LYS 92 3HZ LYS 92 -1.844 13.370 -14.554 728 H GLU 93 H GLU 93 -3.634 7.227 -9.185 729 HA GLU 93 HA GLU 93 -3.531 6.501 -11.954 730 1HB GLU 93 1HB GLU 93 -2.525 5.243 -9.381 731 2HB GLU 93 2HB GLU 93 -2.491 4.349 -10.888 732 1HG GLU 93 1HG GLU 93 -1.440 7.043 -11.305 733 2HG GLU 93 2HG GLU 93 -0.597 6.272 -9.976 734 H TYR 94 H TYR 94 -6.185 6.846 -11.278 735 HA TYR 94 HA TYR 94 -7.657 4.927 -10.143 736 1HB TYR 94 1HB TYR 94 -8.075 6.045 -12.982 737 2HB TYR 94 2HB TYR 94 -9.345 5.588 -11.865 738 HD1 TYR 94 1HD TYR 94 -8.307 6.878 -9.347 739 HD2 TYR 94 2HD TYR 94 -8.524 8.324 -13.368 740 HE1 TYR 94 1HE TYR 94 -8.406 9.270 -8.489 741 HE2 TYR 94 2HE TYR 94 -8.622 10.711 -12.497 742 HH TYR 94 HH TYR 94 -8.551 11.357 -9.000 743 H GLU 95 H GLU 95 -6.313 4.758 -13.511 744 HA GLU 95 HA GLU 95 -7.395 2.530 -14.413 745 1HB GLU 95 1HB GLU 95 -4.476 3.383 -14.564 746 2HB GLU 95 2HB GLU 95 -5.116 2.053 -15.510 747 1HG GLU 95 1HG GLU 95 -6.894 3.664 -16.406 748 2HG GLU 95 2HG GLU 95 -6.034 4.962 -15.603 749 H LYS 96 H LYS 96 -4.156 2.318 -12.769 750 HA LYS 96 HA LYS 96 -4.308 -0.413 -12.337 751 1HB LYS 96 1HB LYS 96 -2.726 1.760 -10.940 752 2HB LYS 96 2HB LYS 96 -2.494 0.050 -10.634 753 1HG LYS 96 1HG LYS 96 -1.753 -0.376 -12.869 754 2HG LYS 96 2HG LYS 96 -2.421 1.127 -13.475 755 1HD LYS 96 1HD LYS 96 -0.716 2.197 -11.685 756 2HD LYS 96 2HD LYS 96 0.114 0.670 -11.905 757 1HE LYS 96 1HE LYS 96 -0.553 1.490 -14.531 758 2HE LYS 96 2HE LYS 96 -0.057 2.967 -13.728 759 1HZ LYS 96 1HZ LYS 96 1.927 2.131 -14.375 760 2HZ LYS 96 2HZ LYS 96 1.849 1.434 -12.900 761 3HZ LYS 96 3HZ LYS 96 1.485 0.565 -14.233 762 H ALA 97 H ALA 97 -5.093 2.344 -10.112 763 HA ALA 97 HA ALA 97 -5.714 1.069 -7.852 764 1HB ALA 97 1HB ALA 97 -7.851 2.840 -8.168 765 2HB ALA 97 2HB ALA 97 -6.241 3.237 -7.521 766 3HB ALA 97 3HB ALA 97 -6.595 3.492 -9.247 767 H LEU 98 H LEU 98 -8.332 1.758 -10.279 768 HA LEU 98 HA LEU 98 -10.172 0.036 -9.229 769 1HB LEU 98 1HB LEU 98 -9.714 1.405 -11.783 770 2HB LEU 98 2HB LEU 98 -10.679 -0.052 -11.926 771 HG LEU 98 HG LEU 98 -11.323 2.132 -9.936 772 1HD1 LEU 98 1HD1 LEU 98 -11.784 3.450 -11.680 773 2HD1 LEU 98 2HD1 LEU 98 -11.688 2.108 -12.845 774 3HD1 LEU 98 3HD1 LEU 98 -13.190 2.390 -11.935 775 1HD2 LEU 98 1HD2 LEU 98 -12.250 -0.246 -9.700 776 2HD2 LEU 98 2HD2 LEU 98 -13.411 1.103 -9.679 777 3HD2 LEU 98 3HD2 LEU 98 -13.214 0.121 -11.150 778 H LYS 99 H LYS 99 -7.994 -0.682 -12.055 779 HA LYS 99 HA LYS 99 -8.573 -3.241 -12.493 780 1HB LYS 99 1HB LYS 99 -6.281 -1.526 -12.877 781 2HB LYS 99 2HB LYS 99 -5.745 -3.153 -12.511 782 1HG LYS 99 1HG LYS 99 -6.048 -3.060 -14.901 783 2HG LYS 99 2HG LYS 99 -7.377 -4.012 -14.272 784 1HD LYS 99 1HD LYS 99 -8.134 -1.206 -14.254 785 2HD LYS 99 2HD LYS 99 -7.521 -1.621 -15.843 786 1HE LYS 99 1HE LYS 99 -9.167 -3.302 -16.189 787 2HE LYS 99 2HE LYS 99 -9.501 -3.467 -14.476 788 1HZ LYS 99 1HZ LYS 99 -10.015 -0.844 -15.176 789 2HZ LYS 99 2HZ LYS 99 -10.731 -1.779 -16.307 790 3HZ LYS 99 3HZ LYS 99 -11.090 -1.989 -14.727 791 H TYR 100 H TYR 100 -6.942 -1.928 -9.617 792 HA TYR 100 HA TYR 100 -6.339 -4.594 -8.648 793 1HB TYR 100 1HB TYR 100 -5.670 -1.737 -8.181 794 2HB TYR 100 2HB TYR 100 -6.003 -2.551 -6.665 795 HD1 TYR 100 1HD TYR 100 -4.929 -5.312 -7.454 796 HD2 TYR 100 2HD TYR 100 -3.335 -1.369 -7.929 797 HE1 TYR 100 1HE TYR 100 -2.569 -6.257 -7.449 798 HE2 TYR 100 2HE TYR 100 -0.981 -2.328 -7.922 799 HH TYR 100 HH TYR 100 0.134 -4.358 -8.356 800 H VAL 101 H VAL 101 -8.524 -1.813 -7.910 801 HA VAL 101 HA VAL 101 -9.633 -2.976 -5.605 802 HB VAL 101 HB VAL 101 -9.872 -0.599 -7.161 803 1HG1 VAL 101 1HG1 VAL 101 -11.949 -1.499 -8.067 804 2HG1 VAL 101 2HG1 VAL 101 -12.538 -1.856 -6.426 805 3HG1 VAL 101 3HG1 VAL 101 -12.297 -0.168 -6.937 806 1HG2 VAL 101 1HG2 VAL 101 -9.327 -0.547 -4.833 807 2HG2 VAL 101 2HG2 VAL 101 -10.908 0.248 -5.021 808 3HG2 VAL 101 3HG2 VAL 101 -10.818 -1.417 -4.399 809 H ARG 102 H ARG 102 -10.639 -2.933 -9.083 810 HA ARG 102 HA ARG 102 -12.989 -4.313 -8.673 811 1HB ARG 102 1HB ARG 102 -11.189 -4.378 -11.149 812 2HB ARG 102 2HB ARG 102 -12.898 -4.763 -11.120 813 1HG ARG 102 1HG ARG 102 -11.737 -2.046 -10.340 814 2HG ARG 102 2HG ARG 102 -12.399 -2.417 -11.919 815 1HD ARG 102 1HD ARG 102 -14.207 -3.129 -9.664 816 2HD ARG 102 2HD ARG 102 -13.860 -1.415 -9.779 817 HE ARG 102 HE ARG 102 -14.430 -2.146 -12.401 818 1HH1 ARG 102 1HH1 ARG 102 -16.127 -2.428 -9.332 819 2HH1 ARG 102 2HH1 ARG 102 -17.702 -2.349 -10.050 820 1HH2 ARG 102 1HH2 ARG 102 -16.508 -2.042 -13.349 821 2HH2 ARG 102 2HH2 ARG 102 -17.920 -2.128 -12.349 822 H GLY 103 H GLY 103 -9.606 -5.354 -8.888 823 1HA GLY 103 1HA GLY 103 -10.281 -8.150 -9.297 824 2HA GLY 103 2HA GLY 103 -8.687 -7.442 -9.133 825 H LEU 104 H LEU 104 -10.539 -6.064 -6.689 826 HA LEU 104 HA LEU 104 -9.609 -8.104 -4.796 827 1HB LEU 104 1HB LEU 104 -8.511 -5.949 -4.585 828 2HB LEU 104 2HB LEU 104 -10.059 -5.137 -4.446 829 HG LEU 104 HG LEU 104 -8.688 -5.564 -2.311 830 1HD1 LEU 104 1HD1 LEU 104 -10.654 -4.784 -1.600 831 2HD1 LEU 104 2HD1 LEU 104 -11.567 -5.721 -2.808 832 3HD1 LEU 104 3HD1 LEU 104 -11.075 -6.483 -1.276 833 1HD2 LEU 104 1HD2 LEU 104 -8.856 -7.682 -1.240 834 2HD2 LEU 104 2HD2 LEU 104 -9.944 -8.310 -2.500 835 3HD2 LEU 104 3HD2 LEU 104 -8.239 -7.972 -2.884 836 H LEU 105 H LEU 105 -12.292 -5.772 -5.509 837 HA LEU 105 HA LEU 105 -14.029 -6.534 -3.550 838 1HB LEU 105 1HB LEU 105 -14.335 -5.463 -6.322 839 2HB LEU 105 2HB LEU 105 -15.767 -5.984 -5.458 840 HG LEU 105 HG LEU 105 -15.284 -3.545 -5.292 841 1HD1 LEU 105 1HD1 LEU 105 -15.213 -4.986 -2.628 842 2HD1 LEU 105 2HD1 LEU 105 -15.814 -3.341 -2.945 843 3HD1 LEU 105 3HD1 LEU 105 -16.666 -4.746 -3.627 844 1HD2 LEU 105 1HD2 LEU 105 -12.935 -3.407 -5.228 845 2HD2 LEU 105 2HD2 LEU 105 -13.483 -2.898 -3.612 846 3HD2 LEU 105 3HD2 LEU 105 -12.819 -4.533 -3.853 847 H GLN 106 H GLN 106 -12.960 -8.325 -6.394 848 HA GLN 106 HA GLN 106 -15.016 -10.013 -6.816 849 1HB GLN 106 1HB GLN 106 -12.213 -9.923 -7.402 850 2HB GLN 106 2HB GLN 106 -12.559 -11.546 -6.838 851 1HG GLN 106 1HG GLN 106 -14.669 -10.628 -8.646 852 2HG GLN 106 2HG GLN 106 -13.101 -10.472 -9.413 853 1HE2 GLN 106 1HE2 GLN 106 -12.503 -12.149 -10.531 854 2HE2 GLN 106 2HE2 GLN 106 -12.864 -13.814 -10.217 855 H THR 107 H THR 107 -12.191 -10.849 -4.670 856 HA THR 107 HA THR 107 -13.783 -12.869 -3.363 857 HB THR 107 HB THR 107 -11.105 -12.564 -3.995 858 HG1 THR 107 1HG THR 107 -12.471 -14.455 -3.275 859 1HG2 THR 107 1HG2 THR 107 -9.915 -12.471 -1.813 860 2HG2 THR 107 2HG2 THR 107 -10.751 -10.929 -2.116 861 3HG2 THR 107 3HG2 THR 107 -11.448 -12.113 -0.983 862 H GLU 108 H GLU 108 -13.767 -9.563 -3.144 863 HA GLU 108 HA GLU 108 -14.686 -9.774 -0.408 864 1HB GLU 108 1HB GLU 108 -12.839 -7.525 -1.307 865 2HB GLU 108 2HB GLU 108 -13.454 -7.798 0.311 866 1HG GLU 108 1HG GLU 108 -12.275 -10.215 -0.094 867 2HG GLU 108 2HG GLU 108 -11.281 -9.252 -1.169 868 HA PRO 109 HA PRO 109 -17.357 -7.348 -3.218 869 1HB PRO 109 1HB PRO 109 -19.571 -8.949 -3.173 870 2HB PRO 109 2HB PRO 109 -18.359 -9.024 -4.438 871 1HG PRO 109 1HG PRO 109 -18.819 -10.896 -2.197 872 2HG PRO 109 2HG PRO 109 -17.922 -11.158 -3.681 873 1HD PRO 109 1HD PRO 109 -16.824 -10.657 -1.079 874 2HD PRO 109 2HD PRO 109 -15.935 -10.803 -2.582 875 H GLN 110 H GLN 110 -17.828 -8.844 -0.143 876 HA GLN 110 HA GLN 110 -19.980 -7.103 0.507 877 1HB GLN 110 1HB GLN 110 -19.830 -8.146 2.744 878 2HB GLN 110 2HB GLN 110 -19.833 -9.362 1.482 879 1HG GLN 110 1HG GLN 110 -17.413 -9.654 1.650 880 2HG GLN 110 2HG GLN 110 -17.265 -8.273 2.718 881 1HE2 GLN 110 1HE2 GLN 110 -16.791 -8.901 4.673 882 2HE2 GLN 110 2HE2 GLN 110 -17.487 -10.220 5.554 883 H ASN 111 H ASN 111 -16.438 -7.231 0.986 884 HA ASN 111 HA ASN 111 -16.035 -5.528 2.984 885 1HB ASN 111 1HB ASN 111 -14.196 -6.558 1.688 886 2HB ASN 111 2HB ASN 111 -14.601 -5.599 0.279 887 1HD2 ASN 111 1HD2 ASN 111 -12.080 -5.657 1.446 888 2HD2 ASN 111 2HD2 ASN 111 -11.691 -4.102 2.102 889 H ASN 112 H ASN 112 -17.006 -3.532 3.384 890 HA ASN 112 HA ASN 112 -18.228 -2.069 1.357 891 1HB ASN 112 1HB ASN 112 -17.332 -1.017 4.087 892 2HB ASN 112 2HB ASN 112 -18.649 -0.398 3.111 893 1HD2 ASN 112 1HD2 ASN 112 -19.081 -1.083 5.690 894 2HD2 ASN 112 2HD2 ASN 112 -20.063 -2.504 5.816 895 H GLN 113 H GLN 113 -15.292 -1.428 3.429 896 HA GLN 113 HA GLN 113 -14.451 0.890 2.497 897 1HB GLN 113 1HB GLN 113 -12.779 -1.597 3.045 898 2HB GLN 113 2HB GLN 113 -12.072 -0.011 2.809 899 1HG GLN 113 1HG GLN 113 -12.679 0.697 4.895 900 2HG GLN 113 2HG GLN 113 -14.300 0.051 4.742 901 1HE2 GLN 113 1HE2 GLN 113 -14.818 -1.890 5.576 902 2HE2 GLN 113 2HE2 GLN 113 -13.750 -2.900 6.492 903 H ALA 114 H ALA 114 -13.802 -2.292 0.873 904 HA ALA 114 HA ALA 114 -12.383 -1.219 -1.278 905 1HB ALA 114 1HB ALA 114 -13.054 -3.724 -0.327 906 2HB ALA 114 2HB ALA 114 -14.005 -3.623 -1.829 907 3HB ALA 114 3HB ALA 114 -12.240 -3.399 -1.876 908 H LYS 115 H LYS 115 -15.896 -1.908 -0.779 909 HA LYS 115 HA LYS 115 -16.762 -1.358 -3.333 910 1HB LYS 115 1HB LYS 115 -17.969 -1.339 -0.608 911 2HB LYS 115 2HB LYS 115 -18.862 -0.524 -1.874 912 1HG LYS 115 1HG LYS 115 -18.456 -2.680 -3.295 913 2HG LYS 115 2HG LYS 115 -17.988 -3.437 -1.787 914 1HD LYS 115 1HD LYS 115 -20.186 -3.834 -1.392 915 2HD LYS 115 2HD LYS 115 -20.393 -2.111 -1.152 916 1HE LYS 115 1HE LYS 115 -20.591 -1.986 -3.772 917 2HE LYS 115 2HE LYS 115 -20.845 -3.719 -3.691 918 1HZ LYS 115 1HZ LYS 115 -22.462 -2.664 -1.768 919 2HZ LYS 115 2HZ LYS 115 -22.629 -1.647 -3.036 920 3HZ LYS 115 3HZ LYS 115 -22.929 -3.242 -3.223 921 H GLU 116 H GLU 116 -16.445 0.920 -0.520 922 HA GLU 116 HA GLU 116 -17.290 3.159 -1.777 923 1HB GLU 116 1HB GLU 116 -15.452 2.561 0.496 924 2HB GLU 116 2HB GLU 116 -15.309 4.173 -0.176 925 1HG GLU 116 1HG GLU 116 -17.982 2.938 0.629 926 2HG GLU 116 2HG GLU 116 -17.015 3.913 1.718 927 H LEU 117 H LEU 117 -13.803 2.157 -1.431 928 HA LEU 117 HA LEU 117 -12.614 4.041 -2.919 929 1HB LEU 117 1HB LEU 117 -11.919 1.611 -1.843 930 2HB LEU 117 2HB LEU 117 -11.652 1.346 -3.554 931 HG LEU 117 HG LEU 117 -10.197 3.084 -1.640 932 1HD1 LEU 117 1HD1 LEU 117 -9.588 1.205 -3.878 933 2HD1 LEU 117 2HD1 LEU 117 -8.400 2.474 -3.492 934 3HD1 LEU 117 3HD1 LEU 117 -8.897 1.309 -2.241 935 1HD2 LEU 117 1HD2 LEU 117 -10.617 4.955 -2.828 936 2HD2 LEU 117 2HD2 LEU 117 -9.372 4.286 -3.909 937 3HD2 LEU 117 3HD2 LEU 117 -11.096 4.058 -4.289 938 H GLU 118 H GLU 118 -13.848 0.920 -4.326 939 HA GLU 118 HA GLU 118 -13.399 1.467 -6.909 940 1HB GLU 118 1HB GLU 118 -14.235 -0.681 -6.405 941 2HB GLU 118 2HB GLU 118 -15.602 -0.055 -5.505 942 1HG GLU 118 1HG GLU 118 -15.511 0.766 -8.373 943 2HG GLU 118 2HG GLU 118 -15.735 -0.951 -8.108 944 H ARG 119 H ARG 119 -16.017 2.751 -4.831 945 HA ARG 119 HA ARG 119 -17.357 3.921 -7.041 946 1HB ARG 119 1HB ARG 119 -18.912 3.559 -5.361 947 2HB ARG 119 2HB ARG 119 -17.730 3.747 -4.081 948 1HG ARG 119 1HG ARG 119 -19.251 5.624 -3.925 949 2HG ARG 119 2HG ARG 119 -17.726 6.247 -4.523 950 1HD ARG 119 1HD ARG 119 -18.673 6.936 -6.478 951 2HD ARG 119 2HD ARG 119 -19.410 5.369 -6.754 952 HE ARG 119 HE ARG 119 -20.699 7.708 -5.595 953 1HH1 ARG 119 1HH1 ARG 119 -20.728 4.190 -5.633 954 2HH1 ARG 119 2HH1 ARG 119 -22.391 4.070 -5.165 955 1HH2 ARG 119 1HH2 ARG 119 -22.893 7.552 -4.978 956 2HH2 ARG 119 2HH2 ARG 119 -23.632 5.996 -4.790 957 H LEU 120 H LEU 120 -14.983 4.884 -4.542 958 HA LEU 120 HA LEU 120 -15.188 7.645 -4.840 959 1HB LEU 120 1HB LEU 120 -12.923 5.847 -3.985 960 2HB LEU 120 2HB LEU 120 -12.823 7.595 -3.943 961 HG LEU 120 HG LEU 120 -15.012 6.095 -2.502 962 1HD1 LEU 120 1HD1 LEU 120 -12.155 6.461 -1.726 963 2HD1 LEU 120 2HD1 LEU 120 -13.400 6.647 -0.468 964 3HD1 LEU 120 3HD1 LEU 120 -13.279 5.125 -1.383 965 1HD2 LEU 120 1HD2 LEU 120 -15.489 8.420 -2.768 966 2HD2 LEU 120 2HD2 LEU 120 -14.991 8.156 -1.080 967 3HD2 LEU 120 3HD2 LEU 120 -13.852 8.878 -2.242 968 H ILE 121 H ILE 121 -12.629 5.457 -6.220 969 HA ILE 121 HA ILE 121 -11.502 7.282 -7.900 970 HB ILE 121 HB ILE 121 -11.886 4.313 -8.299 971 1HG1 ILE 121 1HG1 ILE 121 -9.252 5.178 -7.458 972 2HG1 ILE 121 2HG1 ILE 121 -10.465 5.735 -6.323 973 1HG2 ILE 121 1HG2 ILE 121 -10.293 6.357 -9.799 974 2HG2 ILE 121 2HG2 ILE 121 -9.634 4.718 -9.590 975 3HG2 ILE 121 3HG2 ILE 121 -11.203 4.950 -10.397 976 1HD1 ILE 121 1HD1 ILE 121 -10.148 2.861 -7.305 977 2HD1 ILE 121 2HD1 ILE 121 -9.672 3.479 -5.705 978 3HD1 ILE 121 3HD1 ILE 121 -11.391 3.423 -6.163 979 H ASP 122 H ASP 122 -14.651 5.729 -8.117 980 HA ASP 122 HA ASP 122 -15.098 5.831 -10.794 981 1HB ASP 122 1HB ASP 122 -16.587 5.164 -8.641 982 2HB ASP 122 2HB ASP 122 -17.278 6.750 -8.924 983 H LYS 123 H LYS 123 -15.493 8.381 -8.244 984 HA LYS 123 HA LYS 123 -16.280 10.328 -10.233 985 1HB LYS 123 1HB LYS 123 -17.013 9.962 -7.649 986 2HB LYS 123 2HB LYS 123 -15.738 11.144 -7.429 987 1HG LYS 123 1HG LYS 123 -16.904 12.819 -8.518 988 2HG LYS 123 2HG LYS 123 -17.624 11.719 -9.676 989 1HD LYS 123 1HD LYS 123 -19.035 10.815 -7.676 990 2HD LYS 123 2HD LYS 123 -18.497 12.238 -6.806 991 1HE LYS 123 1HE LYS 123 -19.330 13.554 -8.950 992 2HE LYS 123 2HE LYS 123 -20.235 12.091 -9.288 993 1HZ LYS 123 1HZ LYS 123 -20.987 12.329 -6.879 994 2HZ LYS 123 2HZ LYS 123 -20.482 13.878 -6.998 995 3HZ LYS 123 3HZ LYS 123 -21.649 13.320 -7.996 996 H ALA 124 H ALA 124 -13.485 9.489 -8.136 997 HA ALA 124 HA ALA 124 -11.905 11.641 -8.336 998 1HB ALA 124 1HB ALA 124 -10.107 10.184 -7.937 999 2HB ALA 124 2HB ALA 124 -11.510 9.249 -7.366 1000 3HB ALA 124 3HB ALA 124 -10.795 8.897 -8.958 1001 H MET 125 H MET 125 -12.740 9.345 -10.956 1002 HA MET 125 HA MET 125 -10.840 10.425 -12.743 1003 1HB MET 125 1HB MET 125 -13.389 8.784 -13.233 1004 2HB MET 125 2HB MET 125 -12.124 9.033 -14.419 1005 1HG MET 125 1HG MET 125 -10.867 8.079 -12.004 1006 2HG MET 125 2HG MET 125 -12.249 7.047 -12.320 1007 1HE MET 125 1HE MET 125 -11.379 5.179 -12.649 1008 2HE MET 125 2HE MET 125 -11.603 4.768 -14.365 1009 3HE MET 125 3HE MET 125 -9.982 4.688 -13.635 1010 H LYS 126 H LYS 126 -14.458 10.673 -12.464 1011 HA LYS 126 HA LYS 126 -14.418 12.840 -14.393 1012 1HB LYS 126 1HB LYS 126 -16.372 10.892 -13.407 1013 2HB LYS 126 2HB LYS 126 -17.027 12.513 -13.511 1014 1HG LYS 126 1HG LYS 126 -15.492 12.191 -15.879 1015 2HG LYS 126 2HG LYS 126 -16.327 10.664 -15.670 1016 1HD LYS 126 1HD LYS 126 -18.228 12.730 -15.071 1017 2HD LYS 126 2HD LYS 126 -17.405 13.214 -16.542 1018 1HE LYS 126 1HE LYS 126 -18.884 11.827 -17.597 1019 2HE LYS 126 2HE LYS 126 -17.834 10.533 -17.053 1020 1HZ LYS 126 1HZ LYS 126 -19.808 11.469 -15.167 1021 2HZ LYS 126 2HZ LYS 126 -20.369 10.632 -16.451 1022 3HZ LYS 126 3HZ LYS 126 -19.275 9.952 -15.449 1023 H LYS 127 H LYS 127 -12.911 13.544 -12.200 1024 HA LYS 127 HA LYS 127 -14.258 15.859 -11.344 1025 1HB LYS 127 1HB LYS 127 -14.920 15.434 -9.209 1026 2HB LYS 127 2HB LYS 127 -15.212 13.849 -9.896 1027 1HG LYS 127 1HG LYS 127 -12.834 13.207 -9.168 1028 2HG LYS 127 2HG LYS 127 -12.764 14.729 -8.302 1029 1HD LYS 127 1HD LYS 127 -15.253 13.484 -7.591 1030 2HD LYS 127 2HD LYS 127 -14.020 12.243 -7.492 1031 1HE LYS 127 1HE LYS 127 -12.656 14.216 -6.246 1032 2HE LYS 127 2HE LYS 127 -14.276 14.798 -5.914 1033 1HZ LYS 127 1HZ LYS 127 -13.108 12.227 -5.154 1034 2HZ LYS 127 2HZ LYS 127 -13.762 13.368 -4.187 1035 3HZ LYS 127 3HZ LYS 127 -14.723 12.459 -5.142 1036 H SER 128 H SER 128 -12.715 17.388 -10.985 1037 HA SER 128 HA SER 128 -10.176 16.519 -9.955 1038 1HB SER 128 1HB SER 128 -8.927 17.698 -11.802 1039 2HB SER 128 2HB SER 128 -9.760 16.246 -12.322 1040 HG SER 128 HG SER 128 -11.320 17.453 -13.371 1041 H GLY 129 H GLY 129 -8.856 18.377 -9.187 1042 1HA GLY 129 1HA GLY 129 -10.529 20.778 -8.754 1043 2HA GLY 129 2HA GLY 129 -9.385 20.128 -7.598 1044 HA PRO 130 HA PRO 130 -7.319 23.194 -10.388 1045 1HB PRO 130 1HB PRO 130 -7.259 25.408 -8.787 1046 2HB PRO 130 2HB PRO 130 -8.460 25.163 -10.039 1047 1HG PRO 130 1HG PRO 130 -8.759 24.911 -7.109 1048 2HG PRO 130 2HG PRO 130 -10.005 25.090 -8.328 1049 1HD PRO 130 1HD PRO 130 -9.274 22.675 -6.964 1050 2HD PRO 130 2HD PRO 130 -10.438 22.833 -8.264 1051 H SER 131 H SER 131 -5.589 21.731 -10.175 1052 HA SER 131 HA SER 131 -3.849 22.612 -8.010 1053 1HB SER 131 1HB SER 131 -3.073 20.347 -7.672 1054 2HB SER 131 2HB SER 131 -4.824 20.323 -7.604 1055 HG SER 131 HG SER 131 -3.150 19.536 -9.831 1056 H SER 132 H SER 132 -1.720 23.090 -8.616 1057 HA SER 132 HA SER 132 -0.990 22.330 -11.329 1058 1HB SER 132 1HB SER 132 -1.094 25.073 -10.109 1059 2HB SER 132 2HB SER 132 0.264 24.725 -11.161 1060 HG SER 132 HG SER 132 -2.543 24.477 -11.832 1061 H GLY 133 H GLY 133 0.245 23.935 -8.297 1062 1HA GLY 133 1HA GLY 133 2.036 22.001 -7.534 1063 2HA GLY 133 2HA GLY 133 2.913 22.983 -8.691 Start of MODEL 18 1 H GLY 1 H GLY 1 -15.165 -0.642 22.506 2 1HA GLY 1 1HA GLY 1 -17.078 1.290 22.821 3 2HA GLY 1 2HA GLY 1 -15.593 2.066 23.335 4 H SER 2 H SER 2 -17.417 2.353 20.857 5 HA SER 2 HA SER 2 -17.195 2.817 18.749 6 1HB SER 2 1HB SER 2 -14.984 3.897 19.803 7 2HB SER 2 2HB SER 2 -14.183 2.687 18.821 8 HG SER 2 HG SER 2 -14.954 3.613 16.950 9 H SER 3 H SER 3 -18.076 0.676 18.224 10 HA SER 3 HA SER 3 -16.026 -1.191 17.334 11 1HB SER 3 1HB SER 3 -17.956 -2.866 17.360 12 2HB SER 3 2HB SER 3 -17.451 -2.263 18.925 13 HG SER 3 HG SER 3 -19.769 -1.487 17.387 14 H GLY 4 H GLY 4 -15.587 -0.518 15.214 15 1HA GLY 4 1HA GLY 4 -15.943 -0.501 12.979 16 2HA GLY 4 2HA GLY 4 -17.581 -1.068 13.235 17 H SER 5 H SER 5 -15.515 1.710 12.691 18 HA SER 5 HA SER 5 -17.911 3.299 12.377 19 1HB SER 5 1HB SER 5 -15.828 4.995 13.461 20 2HB SER 5 2HB SER 5 -17.456 4.740 14.056 21 HG SER 5 HG SER 5 -16.550 2.662 15.006 22 H SER 6 H SER 6 -14.302 3.813 12.357 23 HA SER 6 HA SER 6 -14.119 5.513 10.334 24 1HB SER 6 1HB SER 6 -12.315 3.140 10.957 25 2HB SER 6 2HB SER 6 -11.870 4.389 9.811 26 HG SER 6 HG SER 6 -11.302 5.648 11.440 27 H GLY 7 H GLY 7 -14.563 5.553 8.148 28 1HA GLY 7 1HA GLY 7 -15.432 3.036 6.916 29 2HA GLY 7 2HA GLY 7 -15.786 4.662 6.367 30 H MET 8 H MET 8 -14.888 4.909 4.360 31 HA MET 8 HA MET 8 -12.179 3.880 4.035 32 1HB MET 8 1HB MET 8 -13.790 2.896 2.457 33 2HB MET 8 2HB MET 8 -14.439 4.473 2.052 34 1HG MET 8 1HG MET 8 -12.955 3.818 0.244 35 2HG MET 8 2HG MET 8 -12.164 5.113 1.120 36 1HE MET 8 1HE MET 8 -9.982 4.552 0.085 37 2HE MET 8 2HE MET 8 -9.663 4.888 1.804 38 3HE MET 8 3HE MET 8 -8.838 3.535 0.993 39 H GLU 9 H GLU 9 -14.370 6.671 3.335 40 HA GLU 9 HA GLU 9 -12.447 8.254 2.145 41 1HB GLU 9 1HB GLU 9 -15.157 8.457 2.717 42 2HB GLU 9 2HB GLU 9 -14.477 9.702 3.747 43 1HG GLU 9 1HG GLU 9 -13.275 10.677 1.785 44 2HG GLU 9 2HG GLU 9 -13.933 9.424 0.752 45 H ALA 10 H ALA 10 -12.688 7.145 5.379 46 HA ALA 10 HA ALA 10 -11.429 9.476 6.542 47 1HB ALA 10 1HB ALA 10 -11.915 6.770 7.826 48 2HB ALA 10 2HB ALA 10 -11.760 8.357 8.616 49 3HB ALA 10 3HB ALA 10 -13.205 7.983 7.647 50 H VAL 11 H VAL 11 -10.652 5.982 5.922 51 HA VAL 11 HA VAL 11 -8.121 5.906 6.879 52 HB VAL 11 HB VAL 11 -9.432 4.623 4.495 53 1HG1 VAL 11 1HG1 VAL 11 -7.447 4.014 3.674 54 2HG1 VAL 11 2HG1 VAL 11 -6.590 4.748 5.050 55 3HG1 VAL 11 3HG1 VAL 11 -7.185 3.074 5.163 56 1HG2 VAL 11 1HG2 VAL 11 -9.890 4.171 7.082 57 2HG2 VAL 11 2HG2 VAL 11 -9.890 2.857 5.880 58 3HG2 VAL 11 3HG2 VAL 11 -8.455 3.136 6.897 59 H LEU 12 H LEU 12 -9.137 6.975 3.562 60 HA LEU 12 HA LEU 12 -6.551 7.635 2.732 61 1HB LEU 12 1HB LEU 12 -8.889 7.347 1.504 62 2HB LEU 12 2HB LEU 12 -8.928 9.090 1.678 63 HG LEU 12 HG LEU 12 -6.933 9.361 0.382 64 1HD1 LEU 12 1HD1 LEU 12 -6.624 6.408 0.788 65 2HD1 LEU 12 2HD1 LEU 12 -5.938 7.171 -0.667 66 3HD1 LEU 12 3HD1 LEU 12 -5.429 7.717 0.949 67 1HD2 LEU 12 1HD2 LEU 12 -7.724 7.717 -1.659 68 2HD2 LEU 12 2HD2 LEU 12 -9.201 7.815 -0.670 69 3HD2 LEU 12 3HD2 LEU 12 -8.435 9.303 -1.277 70 H ASN 13 H ASN 13 -9.174 9.570 4.295 71 HA ASN 13 HA ASN 13 -7.956 12.001 4.142 72 1HB ASN 13 1HB ASN 13 -10.048 10.718 5.804 73 2HB ASN 13 2HB ASN 13 -9.213 11.996 6.665 74 1HD2 ASN 13 1HD2 ASN 13 -10.442 11.341 3.382 75 2HD2 ASN 13 2HD2 ASN 13 -11.206 12.874 3.124 76 H GLU 14 H GLU 14 -8.097 9.861 7.100 77 HA GLU 14 HA GLU 14 -6.289 11.154 8.603 78 1HB GLU 14 1HB GLU 14 -7.678 8.755 8.760 79 2HB GLU 14 2HB GLU 14 -6.014 8.207 8.767 80 1HG GLU 14 1HG GLU 14 -5.821 10.305 10.523 81 2HG GLU 14 2HG GLU 14 -7.487 9.834 10.802 82 H LEU 15 H LEU 15 -4.141 11.641 8.440 83 HA LEU 15 HA LEU 15 -2.621 10.213 6.399 84 1HB LEU 15 1HB LEU 15 -1.884 12.735 7.880 85 2HB LEU 15 2HB LEU 15 -1.116 12.072 6.451 86 HG LEU 15 HG LEU 15 -3.990 13.020 6.495 87 1HD1 LEU 15 1HD1 LEU 15 -3.369 15.145 6.332 88 2HD1 LEU 15 2HD1 LEU 15 -1.723 14.636 6.784 89 3HD1 LEU 15 3HD1 LEU 15 -2.175 14.765 5.067 90 1HD2 LEU 15 1HD2 LEU 15 -2.458 11.568 4.592 91 2HD2 LEU 15 2HD2 LEU 15 -4.114 12.201 4.441 92 3HD2 LEU 15 3HD2 LEU 15 -2.730 13.201 3.939 93 H VAL 16 H VAL 16 -0.714 9.085 6.848 94 HA VAL 16 HA VAL 16 -0.570 7.880 9.360 95 HB VAL 16 HB VAL 16 0.246 7.121 7.041 96 1HG1 VAL 16 1HG1 VAL 16 2.227 7.826 6.190 97 2HG1 VAL 16 2HG1 VAL 16 1.868 9.285 7.145 98 3HG1 VAL 16 3HG1 VAL 16 2.966 8.043 7.796 99 1HG2 VAL 16 1HG2 VAL 16 2.142 5.779 8.148 100 2HG2 VAL 16 2HG2 VAL 16 1.723 6.659 9.637 101 3HG2 VAL 16 3HG2 VAL 16 0.509 5.628 8.841 102 H SER 17 H SER 17 0.936 8.111 11.093 103 HA SER 17 HA SER 17 1.805 10.837 11.362 104 1HB SER 17 1HB SER 17 2.114 8.612 13.412 105 2HB SER 17 2HB SER 17 2.072 10.339 13.704 106 HG SER 17 HG SER 17 -0.141 10.401 13.252 107 H VAL 18 H VAL 18 3.969 11.516 11.428 108 HA VAL 18 HA VAL 18 5.878 10.020 10.129 109 HB VAL 18 HB VAL 18 6.206 12.270 12.125 110 1HG1 VAL 18 1HG1 VAL 18 8.328 11.123 11.767 111 2HG1 VAL 18 2HG1 VAL 18 8.116 11.231 10.003 112 3HG1 VAL 18 3HG1 VAL 18 8.346 12.713 10.965 113 1HG2 VAL 18 1HG2 VAL 18 4.733 12.954 10.351 114 2HG2 VAL 18 2HG2 VAL 18 6.329 13.686 10.056 115 3HG2 VAL 18 3HG2 VAL 18 5.814 12.265 9.116 116 H GLU 19 H GLU 19 5.368 10.502 13.686 117 HA GLU 19 HA GLU 19 7.471 9.230 14.680 118 1HB GLU 19 1HB GLU 19 5.145 10.138 15.726 119 2HB GLU 19 2HB GLU 19 4.829 8.420 15.853 120 1HG GLU 19 1HG GLU 19 7.448 9.616 16.837 121 2HG GLU 19 2HG GLU 19 6.021 9.598 17.854 122 H ASP 20 H ASP 20 4.423 7.584 13.578 123 HA ASP 20 HA ASP 20 5.451 5.029 14.067 124 1HB ASP 20 1HB ASP 20 3.042 6.250 12.865 125 2HB ASP 20 2HB ASP 20 3.491 4.751 12.075 126 H LEU 21 H LEU 21 5.138 7.180 11.174 127 HA LEU 21 HA LEU 21 5.852 5.467 9.180 128 1HB LEU 21 1HB LEU 21 5.102 7.844 9.006 129 2HB LEU 21 2HB LEU 21 6.723 8.347 9.443 130 HG LEU 21 HG LEU 21 6.404 8.500 7.048 131 1HD1 LEU 21 1HD1 LEU 21 8.613 7.717 8.111 132 2HD1 LEU 21 2HD1 LEU 21 8.207 6.118 7.439 133 3HD1 LEU 21 3HD1 LEU 21 8.402 7.517 6.355 134 1HD2 LEU 21 1HD2 LEU 21 6.186 5.561 6.648 135 2HD2 LEU 21 2HD2 LEU 21 4.728 6.421 7.197 136 3HD2 LEU 21 3HD2 LEU 21 5.533 6.909 5.686 137 H LYS 22 H LYS 22 8.062 7.399 11.312 138 HA LYS 22 HA LYS 22 10.396 6.314 10.162 139 1HB LYS 22 1HB LYS 22 9.874 7.757 12.774 140 2HB LYS 22 2HB LYS 22 11.473 7.295 12.228 141 1HG LYS 22 1HG LYS 22 9.852 8.706 10.168 142 2HG LYS 22 2HG LYS 22 10.205 9.675 11.586 143 1HD LYS 22 1HD LYS 22 12.562 9.498 11.280 144 2HD LYS 22 2HD LYS 22 12.419 8.092 10.243 145 1HE LYS 22 1HE LYS 22 12.415 9.442 8.423 146 2HE LYS 22 2HE LYS 22 10.920 10.174 8.973 147 1HZ LYS 22 1HZ LYS 22 12.014 11.920 9.822 148 2HZ LYS 22 2HZ LYS 22 13.327 11.066 10.284 149 3HZ LYS 22 3HZ LYS 22 13.151 11.516 8.724 150 H ASN 23 H ASN 23 8.559 5.582 13.204 151 HA ASN 23 HA ASN 23 10.163 3.689 14.220 152 1HB ASN 23 1HB ASN 23 7.478 4.542 14.583 153 2HB ASN 23 2HB ASN 23 7.348 2.815 14.316 154 1HD2 ASN 23 1HD2 ASN 23 6.717 4.059 16.715 155 2HD2 ASN 23 2HD2 ASN 23 7.811 3.550 17.957 156 H PHE 24 H PHE 24 7.553 3.314 11.717 157 HA PHE 24 HA PHE 24 7.991 0.530 11.401 158 1HB PHE 24 1HB PHE 24 6.492 2.814 10.072 159 2HB PHE 24 2HB PHE 24 6.677 1.340 9.142 160 HD1 PHE 24 1HD PHE 24 4.550 0.409 9.082 161 HD2 PHE 24 2HD PHE 24 6.100 1.747 12.799 162 HE1 PHE 24 1HE PHE 24 2.571 -0.585 10.266 163 HE2 PHE 24 2HE PHE 24 4.121 0.753 13.982 164 HZ PHE 24 HZ PHE 24 2.381 -0.401 12.701 165 H GLU 25 H GLU 25 8.982 3.505 9.601 166 HA GLU 25 HA GLU 25 10.108 2.209 7.454 167 1HB GLU 25 1HB GLU 25 9.861 4.507 7.144 168 2HB GLU 25 2HB GLU 25 10.443 4.902 8.749 169 1HG GLU 25 1HG GLU 25 12.761 4.308 8.084 170 2HG GLU 25 2HG GLU 25 12.202 3.819 6.497 171 H ARG 26 H ARG 26 11.549 3.206 10.620 172 HA ARG 26 HA ARG 26 14.120 2.404 9.973 173 1HB ARG 26 1HB ARG 26 14.231 3.665 11.896 174 2HB ARG 26 2HB ARG 26 12.617 3.208 12.402 175 1HG ARG 26 1HG ARG 26 13.375 1.178 13.416 176 2HG ARG 26 2HG ARG 26 14.900 1.209 12.553 177 1HD ARG 26 1HD ARG 26 14.278 3.529 14.380 178 2HD ARG 26 2HD ARG 26 14.709 2.001 15.123 179 HE ARG 26 HE ARG 26 16.494 3.781 13.670 180 1HH1 ARG 26 1HH1 ARG 26 15.931 0.407 14.496 181 2HH1 ARG 26 2HH1 ARG 26 17.593 -0.046 14.320 182 1HH2 ARG 26 1HH2 ARG 26 18.687 3.184 13.438 183 2HH2 ARG 26 2HH2 ARG 26 19.171 1.545 13.714 184 H LYS 27 H LYS 27 11.308 0.716 11.461 185 HA LYS 27 HA LYS 27 12.630 -1.577 12.298 186 1HB LYS 27 1HB LYS 27 9.991 -0.595 12.220 187 2HB LYS 27 2HB LYS 27 9.942 -2.121 11.362 188 1HG LYS 27 1HG LYS 27 9.848 -3.094 13.421 189 2HG LYS 27 2HG LYS 27 11.564 -2.755 13.525 190 1HD LYS 27 1HD LYS 27 9.998 -0.375 14.216 191 2HD LYS 27 2HD LYS 27 9.516 -1.739 15.205 192 1HE LYS 27 1HE LYS 27 11.337 -1.292 16.495 193 2HE LYS 27 2HE LYS 27 12.308 -1.950 15.194 194 1HZ LYS 27 1HZ LYS 27 11.754 0.590 14.419 195 2HZ LYS 27 2HZ LYS 27 12.039 0.734 16.021 196 3HZ LYS 27 3HZ LYS 27 13.166 0.062 15.049 197 H PHE 28 H PHE 28 11.006 -0.813 9.149 198 HA PHE 28 HA PHE 28 11.555 -3.286 7.983 199 1HB PHE 28 1HB PHE 28 9.919 -1.535 7.187 200 2HB PHE 28 2HB PHE 28 11.246 -0.439 6.853 201 HD1 PHE 28 1HD PHE 28 11.454 -0.132 4.582 202 HD2 PHE 28 2HD PHE 28 10.665 -4.041 6.032 203 HE1 PHE 28 1HE PHE 28 11.608 -1.030 2.244 204 HE2 PHE 28 2HE PHE 28 10.818 -4.940 3.694 205 HZ PHE 28 HZ PHE 28 11.287 -3.423 1.827 206 H GLN 29 H GLN 29 13.226 -0.083 7.514 207 HA GLN 29 HA GLN 29 15.221 -1.071 5.919 208 1HB GLN 29 1HB GLN 29 15.217 1.284 7.854 209 2HB GLN 29 2HB GLN 29 16.502 0.994 6.698 210 1HG GLN 29 1HG GLN 29 14.680 0.963 4.869 211 2HG GLN 29 2HG GLN 29 13.567 1.554 6.087 212 1HE2 GLN 29 1HE2 GLN 29 13.904 3.064 3.942 213 2HE2 GLN 29 2HE2 GLN 29 14.837 4.488 4.262 214 H SER 30 H SER 30 15.265 -0.479 9.508 215 HA SER 30 HA SER 30 17.785 -1.283 10.016 216 1HB SER 30 1HB SER 30 16.232 -0.345 11.703 217 2HB SER 30 2HB SER 30 15.286 -1.819 11.684 218 HG SER 30 HG SER 30 16.591 -2.341 13.320 219 H GLU 31 H GLU 31 14.921 -3.265 9.242 220 HA GLU 31 HA GLU 31 16.350 -5.676 9.894 221 1HB GLU 31 1HB GLU 31 13.540 -5.181 8.820 222 2HB GLU 31 2HB GLU 31 14.185 -6.777 9.145 223 1HG GLU 31 1HG GLU 31 14.177 -4.604 11.278 224 2HG GLU 31 2HG GLU 31 12.784 -5.635 11.019 225 H GLN 32 H GLN 32 15.686 -3.586 7.164 226 HA GLN 32 HA GLN 32 15.996 -5.595 5.199 227 1HB GLN 32 1HB GLN 32 14.907 -3.137 5.141 228 2HB GLN 32 2HB GLN 32 16.511 -2.692 4.594 229 1HG GLN 32 1HG GLN 32 16.386 -4.304 2.738 230 2HG GLN 32 2HG GLN 32 14.859 -4.928 3.331 231 1HE2 GLN 32 1HE2 GLN 32 14.471 -4.319 0.976 232 2HE2 GLN 32 2HE2 GLN 32 13.793 -2.754 0.669 233 H ALA 33 H ALA 33 18.076 -2.775 6.204 234 HA ALA 33 HA ALA 33 20.306 -3.672 4.744 235 1HB ALA 33 1HB ALA 33 21.468 -1.999 6.362 236 2HB ALA 33 2HB ALA 33 20.223 -1.374 5.254 237 3HB ALA 33 3HB ALA 33 19.825 -1.671 6.963 238 H ALA 34 H ALA 34 18.834 -4.742 7.691 239 HA ALA 34 HA ALA 34 21.124 -5.569 9.085 240 1HB ALA 34 1HB ALA 34 18.214 -5.830 9.237 241 2HB ALA 34 2HB ALA 34 19.041 -7.325 9.737 242 3HB ALA 34 3HB ALA 34 19.420 -5.785 10.544 243 H GLY 35 H GLY 35 19.346 -6.860 6.307 244 1HA GLY 35 1HA GLY 35 20.965 -8.338 5.016 245 2HA GLY 35 2HA GLY 35 20.930 -9.346 6.449 246 H SER 36 H SER 36 17.935 -8.232 6.718 247 HA SER 36 HA SER 36 16.448 -9.044 4.623 248 1HB SER 36 1HB SER 36 17.454 -11.359 6.233 249 2HB SER 36 2HB SER 36 15.752 -11.395 5.823 250 HG SER 36 HG SER 36 16.264 -11.921 3.817 251 H VAL 37 H VAL 37 14.220 -8.748 5.115 252 HA VAL 37 HA VAL 37 13.592 -8.478 7.967 253 HB VAL 37 HB VAL 37 13.948 -6.263 7.284 254 1HG1 VAL 37 1HG1 VAL 37 13.108 -7.234 4.686 255 2HG1 VAL 37 2HG1 VAL 37 12.252 -5.731 5.105 256 3HG1 VAL 37 3HG1 VAL 37 14.032 -5.772 5.107 257 1HG2 VAL 37 1HG2 VAL 37 10.980 -6.483 6.804 258 2HG2 VAL 37 2HG2 VAL 37 11.681 -6.891 8.390 259 3HG2 VAL 37 3HG2 VAL 37 11.889 -5.255 7.719 260 H SER 38 H SER 38 11.340 -8.867 8.494 261 HA SER 38 HA SER 38 10.277 -10.929 6.936 262 1HB SER 38 1HB SER 38 9.352 -9.364 9.351 263 2HB SER 38 2HB SER 38 8.223 -10.439 8.551 264 HG SER 38 HG SER 38 9.156 -11.830 9.946 265 H LYS 39 H LYS 39 7.722 -10.800 6.398 266 HA LYS 39 HA LYS 39 7.514 -8.756 4.414 267 1HB LYS 39 1HB LYS 39 5.521 -10.870 5.287 268 2HB LYS 39 2HB LYS 39 5.407 -9.883 3.845 269 1HG LYS 39 1HG LYS 39 8.037 -11.151 3.990 270 2HG LYS 39 2HG LYS 39 6.776 -12.360 4.130 271 1HD LYS 39 1HD LYS 39 6.674 -12.272 1.854 272 2HD LYS 39 2HD LYS 39 5.782 -10.780 2.082 273 1HE LYS 39 1HE LYS 39 7.504 -10.114 0.614 274 2HE LYS 39 2HE LYS 39 8.136 -9.624 2.173 275 1HZ LYS 39 1HZ LYS 39 9.597 -11.366 2.197 276 2HZ LYS 39 2HZ LYS 39 8.738 -12.290 1.161 277 3HZ LYS 39 3HZ LYS 39 9.581 -11.007 0.603 278 H SER 40 H SER 40 5.722 -9.608 7.452 279 HA SER 40 HA SER 40 3.820 -7.804 7.508 280 1HB SER 40 1HB SER 40 5.475 -9.126 9.516 281 2HB SER 40 2HB SER 40 4.998 -7.537 10.080 282 HG SER 40 HG SER 40 3.492 -9.441 10.488 283 H THR 41 H THR 41 7.045 -7.012 9.011 284 HA THR 41 HA THR 41 6.671 -4.324 9.300 285 HB THR 41 HB THR 41 9.148 -6.004 8.679 286 HG1 THR 41 1HG THR 41 7.769 -4.799 10.966 287 1HG2 THR 41 1HG2 THR 41 10.466 -4.145 9.631 288 2HG2 THR 41 2HG2 THR 41 9.591 -3.556 8.197 289 3HG2 THR 41 3HG2 THR 41 8.992 -3.169 9.827 290 H GLN 42 H GLN 42 7.830 -6.056 6.355 291 HA GLN 42 HA GLN 42 8.369 -3.773 4.910 292 1HB GLN 42 1HB GLN 42 9.162 -5.936 4.164 293 2HB GLN 42 2HB GLN 42 7.533 -6.569 4.046 294 1HG GLN 42 1HG GLN 42 7.009 -5.166 2.153 295 2HG GLN 42 2HG GLN 42 8.427 -4.166 2.403 296 1HE2 GLN 42 1HE2 GLN 42 7.702 -5.474 0.006 297 2HE2 GLN 42 2HE2 GLN 42 8.930 -6.624 -0.407 298 H PHE 43 H PHE 43 5.404 -5.886 4.813 299 HA PHE 43 HA PHE 43 3.952 -4.289 3.095 300 1HB PHE 43 1HB PHE 43 3.114 -6.475 3.592 301 2HB PHE 43 2HB PHE 43 3.432 -6.305 5.307 302 HD1 PHE 43 1HD PHE 43 1.555 -6.277 6.625 303 HD2 PHE 43 2HD PHE 43 1.336 -4.535 2.762 304 HE1 PHE 43 1HE PHE 43 -0.858 -5.708 7.019 305 HE2 PHE 43 2HE PHE 43 -1.077 -3.967 3.155 306 HZ PHE 43 HZ PHE 43 -2.145 -4.561 5.279 307 H GLU 44 H GLU 44 4.033 -4.302 6.724 308 HA GLU 44 HA GLU 44 2.102 -2.531 7.242 309 1HB GLU 44 1HB GLU 44 4.797 -3.016 8.525 310 2HB GLU 44 2HB GLU 44 3.763 -1.748 9.155 311 1HG GLU 44 1HG GLU 44 1.959 -3.835 8.903 312 2HG GLU 44 2HG GLU 44 3.431 -4.704 9.293 313 H TYR 45 H TYR 45 5.524 -1.342 7.339 314 HA TYR 45 HA TYR 45 5.064 1.287 7.104 315 1HB TYR 45 1HB TYR 45 7.299 0.266 7.360 316 2HB TYR 45 2HB TYR 45 7.141 -0.594 5.841 317 HD1 TYR 45 1HD TYR 45 7.120 2.946 7.107 318 HD2 TYR 45 2HD TYR 45 8.289 0.239 4.006 319 HE1 TYR 45 1HE TYR 45 8.327 4.833 5.904 320 HE2 TYR 45 2HE TYR 45 9.491 2.136 2.814 321 HH TYR 45 HH TYR 45 10.494 4.254 3.360 322 H ALA 46 H ALA 46 5.300 -1.048 4.342 323 HA ALA 46 HA ALA 46 5.166 0.726 2.270 324 1HB ALA 46 1HB ALA 46 5.506 -1.758 2.159 325 2HB ALA 46 2HB ALA 46 3.762 -1.969 2.451 326 3HB ALA 46 3HB ALA 46 4.325 -1.151 0.974 327 H TRP 47 H TRP 47 2.549 -0.480 4.413 328 HA TRP 47 HA TRP 47 0.480 0.733 2.872 329 1HB TRP 47 1HB TRP 47 -0.149 -1.144 4.109 330 2HB TRP 47 2HB TRP 47 0.647 -0.583 5.566 331 HD1 TRP 47 HD TRP 47 -1.214 -0.035 7.308 332 HE1 TRP 47 1HE TRP 47 -3.558 1.177 7.390 333 HE3 TRP 47 3HE TRP 47 -1.467 0.958 2.326 334 HZ2 TRP 47 2HZ TRP 47 -5.216 2.387 5.408 335 HZ3 TRP 47 3HZ TRP 47 -3.482 2.159 1.482 336 HH2 TRP 47 HH TRP 47 -5.316 2.867 2.935 337 H CYS 48 H CYS 48 2.683 1.636 5.523 338 HA CYS 48 HA CYS 48 1.287 3.818 6.500 339 1HB CYS 48 1HB CYS 48 4.281 3.338 6.368 340 2HB CYS 48 2HB CYS 48 3.517 4.604 7.308 341 HG CYS 48 HG CYS 48 2.950 1.341 7.462 342 H LEU 49 H LEU 49 4.054 3.719 4.123 343 HA LEU 49 HA LEU 49 4.181 6.281 3.382 344 1HB LEU 49 1HB LEU 49 4.312 3.830 1.624 345 2HB LEU 49 2HB LEU 49 4.797 5.432 1.103 346 HG LEU 49 HG LEU 49 6.838 4.726 1.734 347 1HD1 LEU 49 1HD1 LEU 49 6.241 6.528 3.339 348 2HD1 LEU 49 2HD1 LEU 49 5.806 5.277 4.527 349 3HD1 LEU 49 3HD1 LEU 49 7.484 5.409 3.947 350 1HD2 LEU 49 1HD2 LEU 49 6.631 3.039 3.991 351 2HD2 LEU 49 2HD2 LEU 49 5.338 2.556 2.867 352 3HD2 LEU 49 3HD2 LEU 49 7.029 2.595 2.314 353 H VAL 50 H VAL 50 2.158 3.974 1.437 354 HA VAL 50 HA VAL 50 0.780 5.791 0.003 355 HB VAL 50 HB VAL 50 -1.082 4.076 0.039 356 1HG1 VAL 50 1HG1 VAL 50 0.177 2.468 -1.257 357 2HG1 VAL 50 2HG1 VAL 50 0.810 4.099 -1.588 358 3HG1 VAL 50 3HG1 VAL 50 1.703 2.999 -0.511 359 1HG2 VAL 50 1HG2 VAL 50 -0.995 3.042 2.126 360 2HG2 VAL 50 2HG2 VAL 50 -0.247 1.831 1.057 361 3HG2 VAL 50 3HG2 VAL 50 0.775 2.866 2.082 362 H ARG 51 H ARG 51 0.007 4.650 3.349 363 HA ARG 51 HA ARG 51 -2.331 6.058 3.598 364 1HB ARG 51 1HB ARG 51 -0.323 4.835 5.450 365 2HB ARG 51 2HB ARG 51 -1.344 6.059 6.177 366 1HG ARG 51 1HG ARG 51 -3.369 4.829 5.230 367 2HG ARG 51 2HG ARG 51 -2.287 3.555 4.705 368 1HD ARG 51 1HD ARG 51 -3.443 3.220 6.995 369 2HD ARG 51 2HD ARG 51 -1.714 2.943 6.943 370 HE ARG 51 HE ARG 51 -1.357 4.896 8.230 371 1HH1 ARG 51 1HH1 ARG 51 -4.725 4.680 7.230 372 2HH1 ARG 51 2HH1 ARG 51 -5.254 5.940 8.293 373 1HH2 ARG 51 1HH2 ARG 51 -2.056 6.559 9.633 374 2HH2 ARG 51 2HH2 ARG 51 -3.726 7.016 9.670 375 H SER 52 H SER 52 1.092 7.030 4.008 376 HA SER 52 HA SER 52 0.835 9.302 5.434 377 1HB SER 52 1HB SER 52 2.923 8.142 4.353 378 2HB SER 52 2HB SER 52 2.620 9.191 2.982 379 HG SER 52 HG SER 52 3.306 9.920 5.684 380 H LYS 53 H LYS 53 1.397 11.631 4.235 381 HA LYS 53 HA LYS 53 -0.929 12.058 2.521 382 1HB LYS 53 1HB LYS 53 -0.779 14.379 3.189 383 2HB LYS 53 2HB LYS 53 -0.790 13.351 4.609 384 1HG LYS 53 1HG LYS 53 1.937 13.551 4.028 385 2HG LYS 53 2HG LYS 53 1.341 15.143 3.602 386 1HD LYS 53 1HD LYS 53 0.178 14.202 6.136 387 2HD LYS 53 2HD LYS 53 1.929 14.210 6.198 388 1HE LYS 53 1HE LYS 53 2.077 16.532 5.878 389 2HE LYS 53 2HE LYS 53 0.558 16.620 5.009 390 1HZ LYS 53 1HZ LYS 53 0.831 16.103 7.889 391 2HZ LYS 53 2HZ LYS 53 0.363 17.515 7.215 392 3HZ LYS 53 3HZ LYS 53 -0.584 16.192 7.078 393 H TYR 54 H TYR 54 2.599 12.050 2.594 394 HA TYR 54 HA TYR 54 3.004 13.680 0.331 395 1HB TYR 54 1HB TYR 54 4.449 11.492 1.903 396 2HB TYR 54 2HB TYR 54 5.180 12.072 0.420 397 HD1 TYR 54 1HD TYR 54 3.250 14.310 2.634 398 HD2 TYR 54 2HD TYR 54 7.152 12.954 1.518 399 HE1 TYR 54 1HE TYR 54 4.294 16.250 3.903 400 HE2 TYR 54 2HE TYR 54 8.183 14.899 2.792 401 HH TYR 54 HH TYR 54 6.116 17.306 4.390 402 H ASN 55 H ASN 55 3.988 12.859 -1.765 403 HA ASN 55 HA ASN 55 2.371 10.612 -2.633 404 1HB ASN 55 1HB ASN 55 3.142 11.522 -4.973 405 2HB ASN 55 2HB ASN 55 1.972 12.465 -4.073 406 1HD2 ASN 55 1HD2 ASN 55 4.748 12.599 -5.804 407 2HD2 ASN 55 2HD2 ASN 55 5.449 14.071 -5.219 408 H GLU 56 H GLU 56 5.696 11.970 -2.451 409 HA GLU 56 HA GLU 56 6.971 10.122 -4.042 410 1HB GLU 56 1HB GLU 56 7.687 12.243 -2.227 411 2HB GLU 56 2HB GLU 56 8.704 10.862 -1.866 412 1HG GLU 56 1HG GLU 56 8.740 10.863 -4.642 413 2HG GLU 56 2HG GLU 56 8.638 12.577 -4.295 414 H ASP 57 H ASP 57 5.369 9.699 -1.022 415 HA ASP 57 HA ASP 57 7.032 7.480 -0.256 416 1HB ASP 57 1HB ASP 57 4.541 8.769 0.940 417 2HB ASP 57 2HB ASP 57 5.243 7.310 1.609 418 H ILE 58 H ILE 58 3.639 8.251 -1.296 419 HA ILE 58 HA ILE 58 2.423 5.863 -1.132 420 HB ILE 58 HB ILE 58 2.286 7.940 -3.314 421 1HG1 ILE 58 1HG1 ILE 58 0.337 7.430 -1.060 422 2HG1 ILE 58 2HG1 ILE 58 1.714 8.497 -0.876 423 1HG2 ILE 58 1HG2 ILE 58 0.267 5.744 -2.801 424 2HG2 ILE 58 2HG2 ILE 58 0.248 6.971 -4.091 425 3HG2 ILE 58 3HG2 ILE 58 1.489 5.694 -4.094 426 1HD1 ILE 58 1HD1 ILE 58 0.422 9.153 -3.371 427 2HD1 ILE 58 2HD1 ILE 58 -0.817 9.074 -2.096 428 3HD1 ILE 58 3HD1 ILE 58 0.582 10.159 -1.911 429 H ARG 59 H ARG 59 4.939 6.842 -3.481 430 HA ARG 59 HA ARG 59 4.630 4.723 -5.204 431 1HB ARG 59 1HB ARG 59 7.235 6.135 -4.438 432 2HB ARG 59 2HB ARG 59 6.959 5.234 -5.915 433 1HG ARG 59 1HG ARG 59 4.913 6.912 -6.221 434 2HG ARG 59 2HG ARG 59 5.803 7.906 -5.086 435 1HD ARG 59 1HD ARG 59 7.437 8.425 -6.619 436 2HD ARG 59 2HD ARG 59 7.500 6.793 -7.255 437 HE ARG 59 HE ARG 59 6.042 7.451 -8.950 438 1HH1 ARG 59 1HH1 ARG 59 5.672 9.659 -6.234 439 2HH1 ARG 59 2HH1 ARG 59 4.563 10.697 -7.065 440 1HH2 ARG 59 1HH2 ARG 59 4.579 8.822 -10.047 441 2HH2 ARG 59 2HH2 ARG 59 3.938 10.219 -9.249 442 H ARG 60 H ARG 60 6.619 5.109 -2.207 443 HA ARG 60 HA ARG 60 8.062 2.828 -2.354 444 1HB ARG 60 1HB ARG 60 7.193 4.696 -0.255 445 2HB ARG 60 2HB ARG 60 7.350 3.071 0.382 446 1HG ARG 60 1HG ARG 60 9.602 3.302 0.427 447 2HG ARG 60 2HG ARG 60 9.619 3.497 -1.314 448 1HD ARG 60 1HD ARG 60 8.997 5.980 -0.899 449 2HD ARG 60 2HD ARG 60 9.358 5.688 0.790 450 HE ARG 60 HE ARG 60 11.634 5.714 0.268 451 1HH1 ARG 60 1HH1 ARG 60 9.806 5.082 -2.671 452 2HH1 ARG 60 2HH1 ARG 60 11.197 5.152 -3.703 453 1HH2 ARG 60 1HH2 ARG 60 13.468 5.806 -1.091 454 2HH2 ARG 60 2HH2 ARG 60 13.293 5.567 -2.798 455 H GLY 61 H GLY 61 4.988 3.234 -0.428 456 1HA GLY 61 1HA GLY 61 4.511 0.689 0.338 457 2HA GLY 61 2HA GLY 61 3.252 1.818 -0.123 458 H ILE 62 H ILE 62 3.600 2.137 -2.871 459 HA ILE 62 HA ILE 62 2.369 -0.148 -3.866 460 HB ILE 62 HB ILE 62 3.787 2.084 -5.325 461 1HG1 ILE 62 1HG1 ILE 62 0.824 1.867 -4.791 462 2HG1 ILE 62 2HG1 ILE 62 1.905 2.639 -3.647 463 1HG2 ILE 62 1HG2 ILE 62 3.227 1.137 -7.251 464 2HG2 ILE 62 2HG2 ILE 62 2.762 -0.323 -6.347 465 3HG2 ILE 62 3HG2 ILE 62 1.544 0.920 -6.718 466 1HD1 ILE 62 1HD1 ILE 62 0.826 4.203 -5.352 467 2HD1 ILE 62 2HD1 ILE 62 2.601 4.294 -5.266 468 3HD1 ILE 62 3HD1 ILE 62 1.819 3.406 -6.595 469 H VAL 63 H VAL 63 5.799 0.975 -4.013 470 HA VAL 63 HA VAL 63 6.754 -1.001 -5.687 471 HB VAL 63 HB VAL 63 8.066 0.438 -3.375 472 1HG1 VAL 63 1HG1 VAL 63 9.914 -0.755 -3.728 473 2HG1 VAL 63 2HG1 VAL 63 9.051 -1.735 -4.937 474 3HG1 VAL 63 3HG1 VAL 63 9.919 -0.264 -5.439 475 1HG2 VAL 63 1HG2 VAL 63 7.050 1.480 -5.727 476 2HG2 VAL 63 2HG2 VAL 63 8.309 2.225 -4.711 477 3HG2 VAL 63 3HG2 VAL 63 8.770 1.226 -6.110 478 H LEU 64 H LEU 64 6.533 -0.966 -2.063 479 HA LEU 64 HA LEU 64 7.509 -3.593 -1.798 480 1HB LEU 64 1HB LEU 64 5.711 -2.329 0.226 481 2HB LEU 64 2HB LEU 64 7.128 -3.335 0.457 482 HG LEU 64 HG LEU 64 7.043 -0.415 -0.322 483 1HD1 LEU 64 1HD1 LEU 64 8.717 -0.575 1.785 484 2HD1 LEU 64 2HD1 LEU 64 6.963 -0.307 1.931 485 3HD1 LEU 64 3HD1 LEU 64 7.635 -1.940 2.148 486 1HD2 LEU 64 1HD2 LEU 64 9.438 -2.270 -0.276 487 2HD2 LEU 64 2HD2 LEU 64 8.752 -1.435 -1.690 488 3HD2 LEU 64 3HD2 LEU 64 9.516 -0.495 -0.386 489 H LEU 65 H LEU 65 4.154 -2.207 -1.680 490 HA LEU 65 HA LEU 65 2.815 -4.572 -1.304 491 1HB LEU 65 1HB LEU 65 2.179 -1.912 -2.456 492 2HB LEU 65 2HB LEU 65 1.059 -3.213 -2.807 493 HG LEU 65 HG LEU 65 0.505 -3.524 -0.535 494 1HD1 LEU 65 1HD1 LEU 65 3.074 -3.132 0.083 495 2HD1 LEU 65 2HD1 LEU 65 2.433 -1.546 0.574 496 3HD1 LEU 65 3HD1 LEU 65 1.767 -3.035 1.287 497 1HD2 LEU 65 1HD2 LEU 65 -0.562 -1.578 -1.492 498 2HD2 LEU 65 2HD2 LEU 65 -0.198 -1.275 0.223 499 3HD2 LEU 65 3HD2 LEU 65 0.823 -0.553 -1.044 500 H GLU 66 H GLU 66 4.067 -3.094 -4.341 501 HA GLU 66 HA GLU 66 2.910 -5.101 -5.950 502 1HB GLU 66 1HB GLU 66 4.951 -2.908 -6.395 503 2HB GLU 66 2HB GLU 66 4.664 -4.101 -7.646 504 1HG GLU 66 1HG GLU 66 2.154 -3.549 -7.426 505 2HG GLU 66 2HG GLU 66 2.624 -2.197 -6.417 506 H GLU 67 H GLU 67 5.338 -5.271 -3.671 507 HA GLU 67 HA GLU 67 6.778 -7.276 -5.224 508 1HB GLU 67 1HB GLU 67 7.643 -5.307 -3.127 509 2HB GLU 67 2HB GLU 67 8.451 -6.861 -3.144 510 1HG GLU 67 1HG GLU 67 8.314 -6.056 -5.871 511 2HG GLU 67 2HG GLU 67 8.754 -4.611 -4.984 512 H LEU 68 H LEU 68 4.623 -6.663 -2.580 513 HA LEU 68 HA LEU 68 5.324 -9.139 -1.232 514 1HB LEU 68 1HB LEU 68 3.482 -6.844 -0.612 515 2HB LEU 68 2HB LEU 68 3.404 -8.351 0.279 516 HG LEU 68 HG LEU 68 5.912 -6.670 0.037 517 1HD1 LEU 68 1HD1 LEU 68 3.545 -6.215 1.620 518 2HD1 LEU 68 2HD1 LEU 68 4.938 -6.555 2.673 519 3HD1 LEU 68 3HD1 LEU 68 5.026 -5.237 1.479 520 1HD2 LEU 68 1HD2 LEU 68 5.686 -9.305 0.739 521 2HD2 LEU 68 2HD2 LEU 68 6.988 -8.207 1.258 522 3HD2 LEU 68 3HD2 LEU 68 5.589 -8.493 2.320 523 H LEU 69 H LEU 69 3.142 -7.859 -3.646 524 HA LEU 69 HA LEU 69 0.887 -9.285 -3.424 525 1HB LEU 69 1HB LEU 69 2.327 -7.971 -5.482 526 2HB LEU 69 2HB LEU 69 1.791 -9.508 -6.132 527 HG LEU 69 HG LEU 69 -0.027 -8.270 -6.671 528 1HD1 LEU 69 1HD1 LEU 69 -1.781 -9.004 -5.445 529 2HD1 LEU 69 2HD1 LEU 69 -0.514 -9.965 -4.648 530 3HD1 LEU 69 3HD1 LEU 69 -1.085 -8.454 -3.903 531 1HD2 LEU 69 1HD2 LEU 69 -0.237 -6.127 -6.118 532 2HD2 LEU 69 2HD2 LEU 69 -0.456 -6.520 -4.396 533 3HD2 LEU 69 3HD2 LEU 69 1.184 -6.337 -5.065 534 HA PRO 70 HA PRO 70 2.935 -13.186 -5.088 535 1HB PRO 70 1HB PRO 70 5.610 -13.249 -5.647 536 2HB PRO 70 2HB PRO 70 4.385 -12.928 -6.858 537 1HG PRO 70 1HG PRO 70 6.241 -11.034 -5.551 538 2HG PRO 70 2HG PRO 70 5.327 -10.829 -7.032 539 1HD PRO 70 1HD PRO 70 4.722 -9.688 -4.472 540 2HD PRO 70 2HD PRO 70 3.748 -9.579 -5.923 541 H LYS 71 H LYS 71 4.812 -11.301 -2.880 542 HA LYS 71 HA LYS 71 5.567 -13.710 -1.443 543 1HB LYS 71 1HB LYS 71 6.210 -10.843 -0.723 544 2HB LYS 71 2HB LYS 71 7.012 -12.300 -0.172 545 1HG LYS 71 1HG LYS 71 7.601 -12.769 -2.637 546 2HG LYS 71 2HG LYS 71 7.021 -11.155 -2.999 547 1HD LYS 71 1HD LYS 71 8.659 -10.263 -1.249 548 2HD LYS 71 2HD LYS 71 9.314 -11.883 -1.120 549 1HE LYS 71 1HE LYS 71 9.589 -11.745 -3.734 550 2HE LYS 71 2HE LYS 71 9.373 -10.019 -3.520 551 1HZ LYS 71 1HZ LYS 71 11.622 -11.611 -2.914 552 2HZ LYS 71 2HZ LYS 71 11.509 -9.986 -3.030 553 3HZ LYS 71 3HZ LYS 71 11.171 -10.729 -1.616 554 H GLY 72 H GLY 72 2.766 -13.317 -1.661 555 1HA GLY 72 1HA GLY 72 2.087 -12.497 1.101 556 2HA GLY 72 2HA GLY 72 1.035 -12.267 -0.281 557 H SER 73 H SER 73 0.811 -13.904 2.326 558 HA SER 73 HA SER 73 0.922 -16.596 1.586 559 1HB SER 73 1HB SER 73 -0.171 -14.995 3.862 560 2HB SER 73 2HB SER 73 -0.892 -16.576 3.634 561 HG SER 73 HG SER 73 0.825 -17.354 4.636 562 H LYS 74 H LYS 74 -1.934 -14.398 2.147 563 HA LYS 74 HA LYS 74 -3.246 -15.089 -0.193 564 1HB LYS 74 1HB LYS 74 -3.280 -17.270 1.483 565 2HB LYS 74 2HB LYS 74 -4.792 -16.484 1.893 566 1HG LYS 74 1HG LYS 74 -5.686 -16.751 -0.250 567 2HG LYS 74 2HG LYS 74 -4.119 -16.717 -1.032 568 1HD LYS 74 1HD LYS 74 -4.158 -19.008 0.714 569 2HD LYS 74 2HD LYS 74 -5.657 -19.017 -0.194 570 1HE LYS 74 1HE LYS 74 -4.574 -19.226 -2.267 571 2HE LYS 74 2HE LYS 74 -3.108 -18.447 -1.705 572 1HZ LYS 74 1HZ LYS 74 -3.954 -21.196 -1.366 573 2HZ LYS 74 2HZ LYS 74 -2.471 -20.598 -1.704 574 3HZ LYS 74 3HZ LYS 74 -3.046 -20.538 -0.177 575 H GLU 75 H GLU 75 -4.140 -14.737 3.318 576 HA GLU 75 HA GLU 75 -6.128 -12.854 2.666 577 1HB GLU 75 1HB GLU 75 -6.407 -12.641 5.101 578 2HB GLU 75 2HB GLU 75 -6.267 -14.329 4.653 579 1HG GLU 75 1HG GLU 75 -4.197 -14.582 5.665 580 2HG GLU 75 2HG GLU 75 -3.690 -12.946 5.292 581 H GLU 76 H GLU 76 -2.748 -12.650 2.744 582 HA GLU 76 HA GLU 76 -2.631 -10.017 3.849 583 1HB GLU 76 1HB GLU 76 -0.679 -12.043 2.824 584 2HB GLU 76 2HB GLU 76 -0.180 -10.367 2.719 585 1HG GLU 76 1HG GLU 76 -1.292 -10.545 5.292 586 2HG GLU 76 2HG GLU 76 -0.476 -12.085 5.100 587 H GLN 77 H GLN 77 -2.634 -11.604 0.635 588 HA GLN 77 HA GLN 77 -1.837 -9.447 -0.862 589 1HB GLN 77 1HB GLN 77 -3.259 -12.001 -1.322 590 2HB GLN 77 2HB GLN 77 -3.667 -10.763 -2.492 591 1HG GLN 77 1HG GLN 77 -1.074 -10.364 -2.656 592 2HG GLN 77 2HG GLN 77 -0.929 -11.920 -1.864 593 1HE2 GLN 77 1HE2 GLN 77 -0.364 -13.345 -3.323 594 2HE2 GLN 77 2HE2 GLN 77 -1.094 -13.603 -4.872 595 H ARG 78 H ARG 78 -4.904 -10.141 0.759 596 HA ARG 78 HA ARG 78 -6.524 -8.503 -0.762 597 1HB ARG 78 1HB ARG 78 -6.611 -9.534 2.090 598 2HB ARG 78 2HB ARG 78 -7.812 -8.369 1.571 599 1HG ARG 78 1HG ARG 78 -8.925 -10.310 0.969 600 2HG ARG 78 2HG ARG 78 -8.042 -10.038 -0.521 601 1HD ARG 78 1HD ARG 78 -6.996 -12.035 -0.267 602 2HD ARG 78 2HD ARG 78 -6.271 -11.472 1.226 603 HE ARG 78 HE ARG 78 -8.809 -12.141 2.042 604 1HH1 ARG 78 1HH1 ARG 78 -6.376 -13.872 0.180 605 2HH1 ARG 78 2HH1 ARG 78 -6.896 -15.436 0.714 606 1HH2 ARG 78 1HH2 ARG 78 -9.496 -14.204 2.747 607 2HH2 ARG 78 2HH2 ARG 78 -8.682 -15.625 2.183 608 H ASP 79 H ASP 79 -4.288 -7.869 1.963 609 HA ASP 79 HA ASP 79 -5.229 -5.215 2.321 610 1HB ASP 79 1HB ASP 79 -3.344 -7.056 3.590 611 2HB ASP 79 2HB ASP 79 -2.607 -5.478 3.405 612 H TYR 80 H TYR 80 -2.918 -6.946 0.308 613 HA TYR 80 HA TYR 80 -1.168 -4.761 -0.200 614 1HB TYR 80 1HB TYR 80 -1.900 -7.386 -1.640 615 2HB TYR 80 2HB TYR 80 -0.532 -6.396 -2.106 616 HD1 TYR 80 1HD TYR 80 -0.694 -6.071 1.347 617 HD2 TYR 80 2HD TYR 80 0.329 -8.945 -1.653 618 HE1 TYR 80 1HE TYR 80 0.770 -7.306 3.019 619 HE2 TYR 80 2HE TYR 80 1.790 -10.170 0.030 620 HH TYR 80 HH TYR 80 2.896 -8.870 2.737 621 H VAL 81 H VAL 81 -3.531 -6.487 -2.366 622 HA VAL 81 HA VAL 81 -3.464 -4.705 -4.428 623 HB VAL 81 HB VAL 81 -5.816 -6.287 -3.373 624 1HG1 VAL 81 1HG1 VAL 81 -6.812 -4.905 -4.937 625 2HG1 VAL 81 2HG1 VAL 81 -5.342 -4.791 -5.935 626 3HG1 VAL 81 3HG1 VAL 81 -6.319 -6.280 -5.953 627 1HG2 VAL 81 1HG2 VAL 81 -4.648 -8.102 -3.935 628 2HG2 VAL 81 2HG2 VAL 81 -4.651 -7.538 -5.622 629 3HG2 VAL 81 3HG2 VAL 81 -3.307 -7.102 -4.541 630 H PHE 82 H PHE 82 -5.933 -4.733 -1.752 631 HA PHE 82 HA PHE 82 -7.352 -2.576 -2.283 632 1HB PHE 82 1HB PHE 82 -7.566 -3.905 -0.212 633 2HB PHE 82 2HB PHE 82 -5.958 -3.444 0.311 634 HD1 PHE 82 1HD PHE 82 -8.441 -1.095 -1.089 635 HD2 PHE 82 2HD PHE 82 -6.547 -2.539 2.423 636 HE1 PHE 82 1HE PHE 82 -9.413 0.813 0.220 637 HE2 PHE 82 2HE PHE 82 -7.519 -0.630 3.732 638 HZ PHE 82 HZ PHE 82 -8.940 1.023 2.614 639 H TYR 83 H TYR 83 -4.337 -2.272 -0.262 640 HA TYR 83 HA TYR 83 -4.251 0.494 -0.347 641 1HB TYR 83 1HB TYR 83 -2.080 -1.691 -0.225 642 2HB TYR 83 2HB TYR 83 -1.778 -0.020 0.209 643 HD1 TYR 83 1HD TYR 83 -4.813 0.014 1.444 644 HD2 TYR 83 2HD TYR 83 -1.236 -2.246 2.082 645 HE1 TYR 83 1HE TYR 83 -5.539 -0.476 3.832 646 HE2 TYR 83 2HE TYR 83 -1.975 -2.728 4.467 647 HH TYR 83 HH TYR 83 -4.138 -2.863 5.686 648 H LEU 84 H LEU 84 -2.807 -1.970 -2.557 649 HA LEU 84 HA LEU 84 -1.221 -0.271 -4.038 650 1HB LEU 84 1HB LEU 84 -2.157 -2.955 -4.146 651 2HB LEU 84 2HB LEU 84 -2.381 -2.251 -5.735 652 HG LEU 84 HG LEU 84 0.247 -2.130 -4.241 653 1HD1 LEU 84 1HD1 LEU 84 0.447 -4.324 -4.565 654 2HD1 LEU 84 2HD1 LEU 84 -1.013 -4.390 -5.581 655 3HD1 LEU 84 3HD1 LEU 84 0.556 -3.961 -6.304 656 1HD2 LEU 84 1HD2 LEU 84 0.756 -0.693 -5.863 657 2HD2 LEU 84 2HD2 LEU 84 0.711 -2.078 -6.978 658 3HD2 LEU 84 3HD2 LEU 84 -0.733 -1.061 -6.766 659 H ALA 85 H ALA 85 -4.688 -0.426 -3.765 660 HA ALA 85 HA ALA 85 -5.049 0.964 -6.301 661 1HB ALA 85 1HB ALA 85 -6.536 -0.940 -5.604 662 2HB ALA 85 2HB ALA 85 -7.097 0.056 -4.239 663 3HB ALA 85 3HB ALA 85 -7.414 0.577 -5.911 664 H VAL 86 H VAL 86 -5.831 1.378 -2.773 665 HA VAL 86 HA VAL 86 -6.709 3.998 -2.987 666 HB VAL 86 HB VAL 86 -6.877 2.306 -1.077 667 1HG1 VAL 86 1HG1 VAL 86 -5.181 2.016 0.438 668 2HG1 VAL 86 2HG1 VAL 86 -4.214 2.269 -1.035 669 3HG1 VAL 86 3HG1 VAL 86 -4.461 3.611 0.108 670 1HG2 VAL 86 1HG2 VAL 86 -6.454 5.265 -0.833 671 2HG2 VAL 86 2HG2 VAL 86 -7.933 4.299 -0.614 672 3HG2 VAL 86 3HG2 VAL 86 -6.676 4.301 0.647 673 H GLY 87 H GLY 87 -3.422 2.598 -2.716 674 1HA GLY 87 1HA GLY 87 -2.102 5.073 -2.233 675 2HA GLY 87 2HA GLY 87 -1.381 3.558 -2.738 676 H ASN 88 H ASN 88 -2.561 2.989 -5.181 677 HA ASN 88 HA ASN 88 -1.136 4.607 -6.876 678 1HB ASN 88 1HB ASN 88 -3.162 2.437 -7.114 679 2HB ASN 88 2HB ASN 88 -3.139 3.518 -8.493 680 1HD2 ASN 88 1HD2 ASN 88 -1.441 1.133 -6.657 681 2HD2 ASN 88 2HD2 ASN 88 -0.103 0.877 -7.727 682 H TYR 89 H TYR 89 -4.694 4.449 -6.125 683 HA TYR 89 HA TYR 89 -5.689 6.274 -7.858 684 1HB TYR 89 1HB TYR 89 -7.202 5.181 -6.357 685 2HB TYR 89 2HB TYR 89 -6.150 5.425 -4.976 686 HD1 TYR 89 1HD TYR 89 -6.132 7.601 -3.778 687 HD2 TYR 89 2HD TYR 89 -8.860 6.830 -6.982 688 HE1 TYR 89 1HE TYR 89 -7.554 9.579 -3.052 689 HE2 TYR 89 2HE TYR 89 -10.275 8.810 -6.244 690 HH TYR 89 HH TYR 89 -9.541 10.540 -3.271 691 H ARG 90 H ARG 90 -4.077 6.955 -4.687 692 HA ARG 90 HA ARG 90 -4.561 9.612 -4.578 693 1HB ARG 90 1HB ARG 90 -3.043 7.804 -3.133 694 2HB ARG 90 2HB ARG 90 -1.784 8.813 -3.815 695 1HG ARG 90 1HG ARG 90 -4.170 10.197 -2.602 696 2HG ARG 90 2HG ARG 90 -3.029 9.444 -1.506 697 1HD ARG 90 1HD ARG 90 -1.415 11.023 -1.905 698 2HD ARG 90 2HD ARG 90 -1.696 11.012 -3.635 699 HE ARG 90 HE ARG 90 -3.937 12.265 -2.374 700 1HH1 ARG 90 1HH1 ARG 90 -0.522 12.853 -2.988 701 2HH1 ARG 90 2HH1 ARG 90 -0.687 14.578 -2.983 702 1HH2 ARG 90 1HH2 ARG 90 -4.156 14.540 -2.369 703 2HH2 ARG 90 2HH2 ARG 90 -2.767 15.543 -2.630 704 H LEU 91 H LEU 91 -2.368 7.809 -6.693 705 HA LEU 91 HA LEU 91 -1.061 10.272 -7.544 706 1HB LEU 91 1HB LEU 91 -0.506 7.426 -8.384 707 2HB LEU 91 2HB LEU 91 0.480 8.838 -8.708 708 HG LEU 91 HG LEU 91 -0.030 8.322 -5.842 709 1HD1 LEU 91 1HD1 LEU 91 1.952 6.567 -6.031 710 2HD1 LEU 91 2HD1 LEU 91 0.244 6.076 -6.117 711 3HD1 LEU 91 3HD1 LEU 91 1.194 6.254 -7.611 712 1HD2 LEU 91 1HD2 LEU 91 2.455 8.930 -7.468 713 2HD2 LEU 91 2HD2 LEU 91 1.464 10.092 -6.554 714 3HD2 LEU 91 3HD2 LEU 91 2.380 8.833 -5.691 715 H LYS 92 H LYS 92 -3.994 9.459 -8.006 716 HA LYS 92 HA LYS 92 -5.482 9.679 -9.620 717 1HB LYS 92 1HB LYS 92 -3.147 10.919 -11.098 718 2HB LYS 92 2HB LYS 92 -4.780 10.884 -11.732 719 1HG LYS 92 1HG LYS 92 -5.358 11.879 -9.289 720 2HG LYS 92 2HG LYS 92 -3.690 12.407 -9.370 721 1HD LYS 92 1HD LYS 92 -4.210 13.436 -11.651 722 2HD LYS 92 2HD LYS 92 -5.898 13.048 -11.380 723 1HE LYS 92 1HE LYS 92 -6.111 14.590 -9.596 724 2HE LYS 92 2HE LYS 92 -4.392 14.595 -9.257 725 1HZ LYS 92 1HZ LYS 92 -4.845 15.464 -11.879 726 2HZ LYS 92 2HZ LYS 92 -5.767 16.342 -10.855 727 3HZ LYS 92 3HZ LYS 92 -4.149 16.271 -10.641 728 H GLU 93 H GLU 93 -3.700 7.240 -9.279 729 HA GLU 93 HA GLU 93 -3.734 6.224 -11.985 730 1HB GLU 93 1HB GLU 93 -2.558 5.203 -9.375 731 2HB GLU 93 2HB GLU 93 -2.639 4.189 -10.802 732 1HG GLU 93 1HG GLU 93 -1.491 6.950 -11.147 733 2HG GLU 93 2HG GLU 93 -0.516 5.784 -10.277 734 H TYR 94 H TYR 94 -6.144 6.270 -12.077 735 HA TYR 94 HA TYR 94 -7.635 4.654 -10.277 736 1HB TYR 94 1HB TYR 94 -8.336 5.479 -13.147 737 2HB TYR 94 2HB TYR 94 -9.439 5.327 -11.793 738 HD1 TYR 94 1HD TYR 94 -8.926 7.713 -13.777 739 HD2 TYR 94 2HD TYR 94 -7.664 6.874 -9.776 740 HE1 TYR 94 1HE TYR 94 -8.708 10.204 -13.316 741 HE2 TYR 94 2HE TYR 94 -7.451 9.368 -9.328 742 HH TYR 94 HH TYR 94 -8.556 11.722 -11.675 743 H GLU 95 H GLU 95 -6.310 4.227 -13.611 744 HA GLU 95 HA GLU 95 -7.552 1.920 -14.271 745 1HB GLU 95 1HB GLU 95 -4.676 2.758 -14.840 746 2HB GLU 95 2HB GLU 95 -5.496 1.451 -15.671 747 1HG GLU 95 1HG GLU 95 -7.119 3.909 -15.641 748 2HG GLU 95 2HG GLU 95 -5.552 4.177 -16.378 749 H LYS 96 H LYS 96 -4.132 1.957 -13.029 750 HA LYS 96 HA LYS 96 -4.016 -0.713 -12.427 751 1HB LYS 96 1HB LYS 96 -2.583 1.666 -11.223 752 2HB LYS 96 2HB LYS 96 -2.179 0.008 -10.826 753 1HG LYS 96 1HG LYS 96 -2.316 0.949 -13.717 754 2HG LYS 96 2HG LYS 96 -0.861 1.158 -12.763 755 1HD LYS 96 1HD LYS 96 -0.626 -1.234 -12.424 756 2HD LYS 96 2HD LYS 96 -2.232 -1.549 -13.050 757 1HE LYS 96 1HE LYS 96 -1.048 -0.173 -15.165 758 2HE LYS 96 2HE LYS 96 0.304 -1.083 -14.519 759 1HZ LYS 96 1HZ LYS 96 -2.256 -2.134 -15.475 760 2HZ LYS 96 2HZ LYS 96 -0.758 -2.468 -16.033 761 3HZ LYS 96 3HZ LYS 96 -1.234 -3.039 -14.580 762 H ALA 97 H ALA 97 -5.304 2.023 -10.490 763 HA ALA 97 HA ALA 97 -5.591 0.710 -8.078 764 1HB ALA 97 1HB ALA 97 -7.508 2.396 -7.791 765 2HB ALA 97 2HB ALA 97 -5.906 3.066 -8.180 766 3HB ALA 97 3HB ALA 97 -7.145 2.925 -9.451 767 H LEU 98 H LEU 98 -8.278 1.309 -10.456 768 HA LEU 98 HA LEU 98 -10.083 -0.404 -9.371 769 1HB LEU 98 1HB LEU 98 -9.595 0.779 -12.026 770 2HB LEU 98 2HB LEU 98 -10.608 -0.651 -12.030 771 HG LEU 98 HG LEU 98 -11.931 1.401 -11.926 772 1HD1 LEU 98 1HD1 LEU 98 -13.218 -0.224 -11.002 773 2HD1 LEU 98 2HD1 LEU 98 -12.020 -0.622 -9.747 774 3HD1 LEU 98 3HD1 LEU 98 -13.048 0.820 -9.570 775 1HD2 LEU 98 1HD2 LEU 98 -11.286 3.157 -10.739 776 2HD2 LEU 98 2HD2 LEU 98 -11.542 2.240 -9.236 777 3HD2 LEU 98 3HD2 LEU 98 -9.953 2.211 -10.037 778 H LYS 99 H LYS 99 -7.815 -1.227 -12.096 779 HA LYS 99 HA LYS 99 -8.346 -3.809 -12.443 780 1HB LYS 99 1HB LYS 99 -6.100 -2.079 -12.862 781 2HB LYS 99 2HB LYS 99 -5.502 -3.629 -12.307 782 1HG LYS 99 1HG LYS 99 -6.728 -4.811 -14.070 783 2HG LYS 99 2HG LYS 99 -7.555 -3.341 -14.548 784 1HD LYS 99 1HD LYS 99 -5.443 -2.326 -15.292 785 2HD LYS 99 2HD LYS 99 -4.521 -3.674 -14.658 786 1HE LYS 99 1HE LYS 99 -5.485 -5.208 -16.291 787 2HE LYS 99 2HE LYS 99 -6.663 -4.018 -16.804 788 1HZ LYS 99 1HZ LYS 99 -3.849 -3.328 -16.988 789 2HZ LYS 99 2HZ LYS 99 -4.470 -4.352 -18.100 790 3HZ LYS 99 3HZ LYS 99 -5.096 -2.854 -17.930 791 H TYR 100 H TYR 100 -6.686 -2.380 -9.609 792 HA TYR 100 HA TYR 100 -6.204 -5.003 -8.486 793 1HB TYR 100 1HB TYR 100 -5.555 -2.101 -8.068 794 2HB TYR 100 2HB TYR 100 -5.761 -2.984 -6.568 795 HD1 TYR 100 1HD TYR 100 -3.219 -1.666 -7.944 796 HD2 TYR 100 2HD TYR 100 -4.659 -5.674 -7.546 797 HE1 TYR 100 1HE TYR 100 -0.841 -2.545 -8.130 798 HE2 TYR 100 2HE TYR 100 -2.276 -6.542 -7.733 799 HH TYR 100 HH TYR 100 0.240 -4.665 -8.853 800 H VAL 101 H VAL 101 -8.347 -2.147 -7.966 801 HA VAL 101 HA VAL 101 -9.498 -3.096 -5.595 802 HB VAL 101 HB VAL 101 -9.752 -0.894 -7.413 803 1HG1 VAL 101 1HG1 VAL 101 -12.369 -2.133 -6.509 804 2HG1 VAL 101 2HG1 VAL 101 -12.198 -0.456 -7.080 805 3HG1 VAL 101 3HG1 VAL 101 -11.842 -1.812 -8.178 806 1HG2 VAL 101 1HG2 VAL 101 -9.153 -0.451 -5.186 807 2HG2 VAL 101 2HG2 VAL 101 -10.835 0.119 -5.304 808 3HG2 VAL 101 3HG2 VAL 101 -10.478 -1.446 -4.535 809 H ARG 102 H ARG 102 -10.591 -3.273 -9.054 810 HA ARG 102 HA ARG 102 -12.885 -4.676 -8.519 811 1HB ARG 102 1HB ARG 102 -11.113 -4.868 -11.008 812 2HB ARG 102 2HB ARG 102 -12.807 -5.311 -10.934 813 1HG ARG 102 1HG ARG 102 -11.761 -2.507 -10.321 814 2HG ARG 102 2HG ARG 102 -12.364 -2.998 -11.891 815 1HD ARG 102 1HD ARG 102 -14.103 -3.466 -9.457 816 2HD ARG 102 2HD ARG 102 -13.986 -1.844 -10.108 817 HE ARG 102 HE ARG 102 -14.534 -3.897 -12.138 818 1HH1 ARG 102 1HH1 ARG 102 -15.945 -1.641 -9.835 819 2HH1 ARG 102 2HH1 ARG 102 -17.474 -1.571 -10.646 820 1HH2 ARG 102 1HH2 ARG 102 -16.551 -3.805 -13.209 821 2HH2 ARG 102 2HH2 ARG 102 -17.821 -2.811 -12.578 822 H GLY 103 H GLY 103 -9.489 -5.702 -8.790 823 1HA GLY 103 1HA GLY 103 -10.145 -8.523 -8.958 824 2HA GLY 103 2HA GLY 103 -8.555 -7.792 -8.891 825 H LEU 104 H LEU 104 -10.405 -6.285 -6.502 826 HA LEU 104 HA LEU 104 -9.468 -8.222 -4.500 827 1HB LEU 104 1HB LEU 104 -8.153 -6.235 -4.393 828 2HB LEU 104 2HB LEU 104 -9.573 -5.209 -4.437 829 HG LEU 104 HG LEU 104 -8.366 -5.533 -2.195 830 1HD1 LEU 104 1HD1 LEU 104 -10.819 -5.937 -1.113 831 2HD1 LEU 104 2HD1 LEU 104 -10.268 -4.395 -1.810 832 3HD1 LEU 104 3HD1 LEU 104 -11.263 -5.507 -2.782 833 1HD2 LEU 104 1HD2 LEU 104 -8.770 -7.459 -0.904 834 2HD2 LEU 104 2HD2 LEU 104 -9.985 -8.078 -2.047 835 3HD2 LEU 104 3HD2 LEU 104 -8.264 -8.060 -2.501 836 H LEU 105 H LEU 105 -12.023 -5.866 -5.459 837 HA LEU 105 HA LEU 105 -13.730 -6.245 -3.339 838 1HB LEU 105 1HB LEU 105 -13.988 -5.396 -6.173 839 2HB LEU 105 2HB LEU 105 -15.465 -5.838 -5.340 840 HG LEU 105 HG LEU 105 -14.896 -3.394 -5.318 841 1HD1 LEU 105 1HD1 LEU 105 -15.571 -3.035 -3.012 842 2HD1 LEU 105 2HD1 LEU 105 -16.464 -4.405 -3.715 843 3HD1 LEU 105 3HD1 LEU 105 -15.115 -4.704 -2.594 844 1HD2 LEU 105 1HD2 LEU 105 -12.659 -4.311 -3.492 845 2HD2 LEU 105 2HD2 LEU 105 -12.501 -3.494 -5.065 846 3HD2 LEU 105 3HD2 LEU 105 -13.200 -2.626 -3.677 847 H GLN 106 H GLN 106 -12.751 -8.472 -5.839 848 HA GLN 106 HA GLN 106 -15.025 -10.044 -5.937 849 1HB GLN 106 1HB GLN 106 -12.194 -10.249 -6.740 850 2HB GLN 106 2HB GLN 106 -12.882 -11.804 -6.316 851 1HG GLN 106 1HG GLN 106 -14.857 -10.417 -7.876 852 2HG GLN 106 2HG GLN 106 -13.325 -10.223 -8.706 853 1HE2 GLN 106 1HE2 GLN 106 -12.385 -11.893 -9.719 854 2HE2 GLN 106 2HE2 GLN 106 -13.032 -13.495 -9.826 855 H THR 107 H THR 107 -11.998 -10.422 -3.955 856 HA THR 107 HA THR 107 -13.273 -12.496 -2.385 857 HB THR 107 HB THR 107 -10.930 -12.791 -2.995 858 HG1 THR 107 1HG THR 107 -10.201 -13.000 -0.803 859 1HG2 THR 107 1HG2 THR 107 -10.757 -9.916 -2.156 860 2HG2 THR 107 2HG2 THR 107 -9.407 -10.957 -1.642 861 3HG2 THR 107 3HG2 THR 107 -9.799 -10.797 -3.371 862 H GLU 108 H GLU 108 -13.497 -9.163 -2.464 863 HA GLU 108 HA GLU 108 -14.475 -9.201 0.230 864 1HB GLU 108 1HB GLU 108 -12.402 -7.116 -0.571 865 2HB GLU 108 2HB GLU 108 -13.171 -7.282 0.995 866 1HG GLU 108 1HG GLU 108 -12.123 -9.536 1.275 867 2HG GLU 108 2HG GLU 108 -11.363 -9.382 -0.296 868 HA PRO 109 HA PRO 109 -16.773 -6.680 -2.807 869 1HB PRO 109 1HB PRO 109 -19.110 -8.096 -2.824 870 2HB PRO 109 2HB PRO 109 -17.841 -8.326 -4.012 871 1HG PRO 109 1HG PRO 109 -18.574 -10.050 -1.725 872 2HG PRO 109 2HG PRO 109 -17.623 -10.451 -3.141 873 1HD PRO 109 1HD PRO 109 -16.632 -9.917 -0.503 874 2HD PRO 109 2HD PRO 109 -15.676 -10.204 -1.944 875 H GLN 110 H GLN 110 -18.133 -8.237 0.048 876 HA GLN 110 HA GLN 110 -19.905 -6.147 0.543 877 1HB GLN 110 1HB GLN 110 -20.369 -7.261 2.603 878 2HB GLN 110 2HB GLN 110 -19.971 -8.534 1.466 879 1HG GLN 110 1HG GLN 110 -17.646 -8.621 2.338 880 2HG GLN 110 2HG GLN 110 -17.987 -7.296 3.433 881 1HE2 GLN 110 1HE2 GLN 110 -18.421 -10.655 2.727 882 2HE2 GLN 110 2HE2 GLN 110 -19.142 -11.147 4.223 883 H ASN 111 H ASN 111 -16.463 -6.528 1.059 884 HA ASN 111 HA ASN 111 -16.075 -4.964 3.261 885 1HB ASN 111 1HB ASN 111 -14.211 -6.176 2.281 886 2HB ASN 111 2HB ASN 111 -14.413 -5.379 0.734 887 1HD2 ASN 111 1HD2 ASN 111 -12.061 -5.071 1.179 888 2HD2 ASN 111 2HD2 ASN 111 -11.563 -3.627 1.995 889 H ASN 112 H ASN 112 -16.494 -2.775 3.612 890 HA ASN 112 HA ASN 112 -17.477 -1.206 1.507 891 1HB ASN 112 1HB ASN 112 -16.477 -0.162 4.198 892 2HB ASN 112 2HB ASN 112 -17.741 0.523 3.196 893 1HD2 ASN 112 1HD2 ASN 112 -16.882 -1.843 5.544 894 2HD2 ASN 112 2HD2 ASN 112 -18.454 -2.501 5.854 895 H GLN 113 H GLN 113 -14.456 -1.204 3.535 896 HA GLN 113 HA GLN 113 -13.201 0.969 2.725 897 1HB GLN 113 1HB GLN 113 -12.046 -1.829 3.048 898 2HB GLN 113 2HB GLN 113 -11.039 -0.406 2.874 899 1HG GLN 113 1HG GLN 113 -11.359 0.190 5.044 900 2HG GLN 113 2HG GLN 113 -13.101 0.073 4.888 901 1HE2 GLN 113 1HE2 GLN 113 -14.060 -1.369 6.087 902 2HE2 GLN 113 2HE2 GLN 113 -13.382 -2.829 6.727 903 H ALA 114 H ALA 114 -13.432 -2.101 0.830 904 HA ALA 114 HA ALA 114 -11.887 -1.048 -1.329 905 1HB ALA 114 1HB ALA 114 -12.629 -3.557 -0.430 906 2HB ALA 114 2HB ALA 114 -13.657 -3.344 -1.867 907 3HB ALA 114 3HB ALA 114 -11.888 -3.207 -2.010 908 H LYS 115 H LYS 115 -15.389 -1.946 -0.915 909 HA LYS 115 HA LYS 115 -16.374 -1.136 -3.272 910 1HB LYS 115 1HB LYS 115 -17.449 -1.094 -0.479 911 2HB LYS 115 2HB LYS 115 -18.388 -0.316 -1.738 912 1HG LYS 115 1HG LYS 115 -18.217 -2.446 -3.108 913 2HG LYS 115 2HG LYS 115 -17.403 -3.208 -1.757 914 1HD LYS 115 1HD LYS 115 -19.354 -3.525 -0.618 915 2HD LYS 115 2HD LYS 115 -19.887 -1.881 -0.906 916 1HE LYS 115 1HE LYS 115 -20.449 -2.617 -3.316 917 2HE LYS 115 2HE LYS 115 -20.171 -4.265 -2.787 918 1HZ LYS 115 1HZ LYS 115 -22.219 -4.244 -2.025 919 2HZ LYS 115 2HZ LYS 115 -21.812 -3.119 -0.912 920 3HZ LYS 115 3HZ LYS 115 -22.416 -2.657 -2.358 921 H GLU 116 H GLU 116 -16.302 1.103 -0.405 922 HA GLU 116 HA GLU 116 -16.969 3.359 -1.620 923 1HB GLU 116 1HB GLU 116 -15.239 2.667 0.688 924 2HB GLU 116 2HB GLU 116 -14.931 4.263 0.032 925 1HG GLU 116 1HG GLU 116 -17.720 3.247 0.750 926 2HG GLU 116 2HG GLU 116 -16.719 4.179 1.847 927 H LEU 117 H LEU 117 -13.483 2.363 -1.230 928 HA LEU 117 HA LEU 117 -12.278 4.263 -2.679 929 1HB LEU 117 1HB LEU 117 -11.140 2.467 -1.505 930 2HB LEU 117 2HB LEU 117 -11.688 1.301 -2.693 931 HG LEU 117 HG LEU 117 -10.297 2.237 -4.399 932 1HD1 LEU 117 1HD1 LEU 117 -8.710 4.212 -3.383 933 2HD1 LEU 117 2HD1 LEU 117 -10.140 4.472 -4.410 934 3HD1 LEU 117 3HD1 LEU 117 -10.282 4.596 -2.641 935 1HD2 LEU 117 1HD2 LEU 117 -9.069 0.717 -3.110 936 2HD2 LEU 117 2HD2 LEU 117 -8.011 2.142 -3.249 937 3HD2 LEU 117 3HD2 LEU 117 -8.919 1.850 -1.746 938 H GLU 118 H GLU 118 -13.396 1.137 -4.172 939 HA GLU 118 HA GLU 118 -12.931 1.647 -6.716 940 1HB GLU 118 1HB GLU 118 -13.970 -0.427 -5.983 941 2HB GLU 118 2HB GLU 118 -15.438 0.405 -5.509 942 1HG GLU 118 1HG GLU 118 -14.702 0.923 -8.325 943 2HG GLU 118 2HG GLU 118 -14.953 -0.781 -8.000 944 H ARG 119 H ARG 119 -15.893 2.783 -4.946 945 HA ARG 119 HA ARG 119 -16.899 4.140 -7.159 946 1HB ARG 119 1HB ARG 119 -17.495 3.957 -4.236 947 2HB ARG 119 2HB ARG 119 -18.026 5.445 -4.994 948 1HG ARG 119 1HG ARG 119 -18.792 3.471 -6.842 949 2HG ARG 119 2HG ARG 119 -19.092 2.710 -5.292 950 1HD ARG 119 1HD ARG 119 -20.991 3.933 -5.071 951 2HD ARG 119 2HD ARG 119 -20.036 5.402 -5.049 952 HE ARG 119 HE ARG 119 -20.318 4.504 -7.765 953 1HH1 ARG 119 1HH1 ARG 119 -22.188 5.962 -5.165 954 2HH1 ARG 119 2HH1 ARG 119 -23.291 6.761 -6.235 955 1HH2 ARG 119 1HH2 ARG 119 -21.773 5.557 -9.176 956 2HH2 ARG 119 2HH2 ARG 119 -23.054 6.528 -8.532 957 H LEU 120 H LEU 120 -14.728 5.027 -4.446 958 HA LEU 120 HA LEU 120 -14.806 7.781 -4.711 959 1HB LEU 120 1HB LEU 120 -12.619 5.908 -3.807 960 2HB LEU 120 2HB LEU 120 -12.504 7.653 -3.689 961 HG LEU 120 HG LEU 120 -14.686 6.011 -2.378 962 1HD1 LEU 120 1HD1 LEU 120 -12.023 5.970 -1.674 963 2HD1 LEU 120 2HD1 LEU 120 -12.695 7.235 -0.617 964 3HD1 LEU 120 3HD1 LEU 120 -13.396 5.599 -0.604 965 1HD2 LEU 120 1HD2 LEU 120 -14.990 8.086 -1.013 966 2HD2 LEU 120 2HD2 LEU 120 -13.880 8.918 -2.128 967 3HD2 LEU 120 3HD2 LEU 120 -15.419 8.258 -2.732 968 H ILE 121 H ILE 121 -12.723 5.323 -6.360 969 HA ILE 121 HA ILE 121 -11.242 7.190 -7.821 970 HB ILE 121 HB ILE 121 -11.888 4.283 -8.311 971 1HG1 ILE 121 1HG1 ILE 121 -9.158 4.923 -7.580 972 2HG1 ILE 121 2HG1 ILE 121 -10.273 5.551 -6.382 973 1HG2 ILE 121 1HG2 ILE 121 -11.300 5.162 -10.438 974 2HG2 ILE 121 2HG2 ILE 121 -9.971 6.125 -9.752 975 3HG2 ILE 121 3HG2 ILE 121 -9.852 4.351 -9.794 976 1HD1 ILE 121 1HD1 ILE 121 -9.413 3.037 -6.242 977 2HD1 ILE 121 2HD1 ILE 121 -11.094 3.435 -5.817 978 3HD1 ILE 121 3HD1 ILE 121 -10.719 2.750 -7.416 979 H ASP 122 H ASP 122 -14.402 5.594 -8.385 980 HA ASP 122 HA ASP 122 -14.751 6.098 -11.001 981 1HB ASP 122 1HB ASP 122 -16.333 5.075 -9.146 982 2HB ASP 122 2HB ASP 122 -16.962 6.705 -9.010 983 H LYS 123 H LYS 123 -15.344 8.296 -8.171 984 HA LYS 123 HA LYS 123 -16.299 10.452 -9.705 985 1HB LYS 123 1HB LYS 123 -15.162 10.251 -6.906 986 2HB LYS 123 2HB LYS 123 -15.778 11.746 -7.582 987 1HG LYS 123 1HG LYS 123 -17.997 10.766 -7.914 988 2HG LYS 123 2HG LYS 123 -17.413 9.171 -7.486 989 1HD LYS 123 1HD LYS 123 -16.676 10.789 -5.289 990 2HD LYS 123 2HD LYS 123 -18.269 11.368 -5.733 991 1HE LYS 123 1HE LYS 123 -19.142 9.020 -5.658 992 2HE LYS 123 2HE LYS 123 -17.549 8.443 -5.210 993 1HZ LYS 123 1HZ LYS 123 -19.118 10.382 -3.656 994 2HZ LYS 123 2HZ LYS 123 -18.980 8.793 -3.307 995 3HZ LYS 123 3HZ LYS 123 -17.669 9.762 -3.228 996 H ALA 124 H ALA 124 -13.043 9.643 -8.338 997 HA ALA 124 HA ALA 124 -11.657 11.856 -9.016 998 1HB ALA 124 1HB ALA 124 -9.861 9.899 -9.639 999 2HB ALA 124 2HB ALA 124 -10.297 10.353 -7.974 1000 3HB ALA 124 3HB ALA 124 -11.077 8.953 -8.748 1001 H MET 125 H MET 125 -12.056 8.960 -11.188 1002 HA MET 125 HA MET 125 -10.860 9.913 -13.374 1003 1HB MET 125 1HB MET 125 -13.531 8.403 -13.268 1004 2HB MET 125 2HB MET 125 -12.460 8.437 -14.654 1005 1HG MET 125 1HG MET 125 -10.886 7.663 -12.363 1006 2HG MET 125 2HG MET 125 -12.347 6.696 -12.350 1007 1HE MET 125 1HE MET 125 -11.272 4.822 -12.452 1008 2HE MET 125 2HE MET 125 -11.708 4.029 -13.984 1009 3HE MET 125 3HE MET 125 -9.996 4.288 -13.572 1010 H LYS 126 H LYS 126 -14.374 10.406 -12.568 1011 HA LYS 126 HA LYS 126 -14.938 11.993 -14.780 1012 1HB LYS 126 1HB LYS 126 -16.271 11.043 -12.434 1013 2HB LYS 126 2HB LYS 126 -16.575 12.763 -12.568 1014 1HG LYS 126 1HG LYS 126 -16.760 11.239 -15.133 1015 2HG LYS 126 2HG LYS 126 -17.980 10.838 -13.941 1016 1HD LYS 126 1HD LYS 126 -19.024 12.878 -14.123 1017 2HD LYS 126 2HD LYS 126 -17.514 13.759 -14.236 1018 1HE LYS 126 1HE LYS 126 -17.703 13.886 -16.493 1019 2HE LYS 126 2HE LYS 126 -17.797 12.141 -16.620 1020 1HZ LYS 126 1HZ LYS 126 -19.767 13.424 -17.411 1021 2HZ LYS 126 2HZ LYS 126 -20.102 12.213 -16.368 1022 3HZ LYS 126 3HZ LYS 126 -20.113 13.762 -15.851 1023 H LYS 127 H LYS 127 -13.847 12.850 -11.441 1024 HA LYS 127 HA LYS 127 -13.987 15.585 -11.695 1025 1HB LYS 127 1HB LYS 127 -12.123 13.806 -10.110 1026 2HB LYS 127 2HB LYS 127 -12.131 15.551 -9.953 1027 1HG LYS 127 1HG LYS 127 -14.233 15.600 -8.946 1028 2HG LYS 127 2HG LYS 127 -14.798 14.175 -9.793 1029 1HD LYS 127 1HD LYS 127 -14.064 12.758 -8.153 1030 2HD LYS 127 2HD LYS 127 -12.529 13.589 -7.990 1031 1HE LYS 127 1HE LYS 127 -13.557 15.331 -6.587 1032 2HE LYS 127 2HE LYS 127 -15.155 14.667 -6.860 1033 1HZ LYS 127 1HZ LYS 127 -13.438 13.974 -4.874 1034 2HZ LYS 127 2HZ LYS 127 -14.816 13.194 -5.274 1035 3HZ LYS 127 3HZ LYS 127 -13.388 12.697 -5.890 1036 H SER 128 H SER 128 -11.222 13.372 -12.486 1037 HA SER 128 HA SER 128 -10.528 14.989 -14.675 1038 1HB SER 128 1HB SER 128 -9.538 16.001 -12.306 1039 2HB SER 128 2HB SER 128 -8.219 14.956 -12.796 1040 HG SER 128 HG SER 128 -8.148 17.220 -13.623 1041 H GLY 129 H GLY 129 -9.332 13.735 -16.133 1042 1HA GLY 129 1HA GLY 129 -8.427 11.113 -15.111 1043 2HA GLY 129 2HA GLY 129 -9.045 11.421 -16.722 1044 HA PRO 130 HA PRO 130 -4.424 12.177 -16.408 1045 1HB PRO 130 1HB PRO 130 -3.299 9.699 -16.653 1046 2HB PRO 130 2HB PRO 130 -3.488 10.518 -15.116 1047 1HG PRO 130 1HG PRO 130 -5.045 8.259 -16.217 1048 2HG PRO 130 2HG PRO 130 -4.929 8.805 -14.556 1049 1HD PRO 130 1HD PRO 130 -7.114 9.250 -16.359 1050 2HD PRO 130 2HD PRO 130 -6.946 9.893 -14.737 1051 H SER 131 H SER 131 -3.889 13.139 -18.253 1052 HA SER 131 HA SER 131 -4.954 12.107 -20.627 1053 1HB SER 131 1HB SER 131 -3.994 14.539 -19.842 1054 2HB SER 131 2HB SER 131 -2.619 13.972 -20.766 1055 HG SER 131 HG SER 131 -5.255 13.756 -21.880 1056 H SER 132 H SER 132 -4.107 10.630 -22.079 1057 HA SER 132 HA SER 132 -2.745 9.227 -23.019 1058 1HB SER 132 1HB SER 132 -0.821 11.327 -22.096 1059 2HB SER 132 2HB SER 132 -0.118 9.784 -22.542 1060 HG SER 132 HG SER 132 -0.552 11.597 -24.251 1061 H GLY 133 H GLY 133 -0.857 7.542 -22.495 1062 1HA GLY 133 1HA GLY 133 0.344 6.700 -20.440 1063 2HA GLY 133 2HA GLY 133 -1.237 6.711 -19.685 Start of MODEL 19 1 H GLY 1 H GLY 1 -27.828 12.002 18.161 2 1HA GLY 1 1HA GLY 1 -26.993 10.314 19.439 3 2HA GLY 1 2HA GLY 1 -27.421 9.148 18.203 4 H SER 2 H SER 2 -25.121 8.428 19.058 5 HA SER 2 HA SER 2 -23.245 9.513 17.130 6 1HB SER 2 1HB SER 2 -23.053 10.131 19.824 7 2HB SER 2 2HB SER 2 -22.022 8.718 19.715 8 HG SER 2 HG SER 2 -21.744 11.268 18.445 9 H SER 3 H SER 3 -22.755 7.794 15.816 10 HA SER 3 HA SER 3 -22.713 5.175 17.084 11 1HB SER 3 1HB SER 3 -22.887 4.353 14.657 12 2HB SER 3 2HB SER 3 -24.300 5.159 15.310 13 HG SER 3 HG SER 3 -23.946 6.064 13.282 14 H GLY 4 H GLY 4 -21.070 7.104 14.465 15 1HA GLY 4 1HA GLY 4 -18.604 7.337 14.966 16 2HA GLY 4 2HA GLY 4 -18.598 5.586 15.026 17 H SER 5 H SER 5 -17.597 7.945 13.091 18 HA SER 5 HA SER 5 -18.371 6.474 10.698 19 1HB SER 5 1HB SER 5 -19.024 9.158 11.284 20 2HB SER 5 2HB SER 5 -17.673 9.275 10.172 21 HG SER 5 HG SER 5 -20.218 8.801 9.549 22 H SER 6 H SER 6 -16.537 5.386 10.069 23 HA SER 6 HA SER 6 -14.320 6.689 9.182 24 1HB SER 6 1HB SER 6 -12.627 5.942 10.957 25 2HB SER 6 2HB SER 6 -13.632 7.314 11.377 26 HG SER 6 HG SER 6 -14.048 6.157 13.140 27 H GLY 7 H GLY 7 -13.309 5.239 7.803 28 1HA GLY 7 1HA GLY 7 -12.762 2.559 8.402 29 2HA GLY 7 2HA GLY 7 -14.289 2.617 7.544 30 H MET 8 H MET 8 -14.296 4.071 5.478 31 HA MET 8 HA MET 8 -11.777 3.539 4.111 32 1HB MET 8 1HB MET 8 -13.671 2.323 3.135 33 2HB MET 8 2HB MET 8 -14.679 3.758 3.155 34 1HG MET 8 1HG MET 8 -13.941 3.516 0.878 35 2HG MET 8 2HG MET 8 -13.002 4.840 1.538 36 1HE MET 8 1HE MET 8 -10.298 4.261 -0.139 37 2HE MET 8 2HE MET 8 -11.080 5.189 1.163 38 3HE MET 8 3HE MET 8 -9.677 4.157 1.525 39 H GLU 9 H GLU 9 -14.328 5.964 4.773 40 HA GLU 9 HA GLU 9 -13.155 7.881 3.042 41 1HB GLU 9 1HB GLU 9 -15.626 7.558 4.365 42 2HB GLU 9 2HB GLU 9 -14.922 8.981 5.106 43 1HG GLU 9 1HG GLU 9 -14.532 9.971 2.842 44 2HG GLU 9 2HG GLU 9 -15.233 8.548 2.097 45 H ALA 10 H ALA 10 -12.479 6.688 6.204 46 HA ALA 10 HA ALA 10 -11.317 9.185 7.120 47 1HB ALA 10 1HB ALA 10 -10.756 6.841 8.748 48 2HB ALA 10 2HB ALA 10 -11.700 8.296 9.149 49 3HB ALA 10 3HB ALA 10 -12.486 6.922 8.335 50 H VAL 11 H VAL 11 -10.308 5.804 6.272 51 HA VAL 11 HA VAL 11 -7.601 6.141 6.674 52 HB VAL 11 HB VAL 11 -8.684 4.003 6.331 53 1HG1 VAL 11 1HG1 VAL 11 -9.579 3.256 4.249 54 2HG1 VAL 11 2HG1 VAL 11 -10.300 4.850 4.575 55 3HG1 VAL 11 3HG1 VAL 11 -8.976 4.698 3.395 56 1HG2 VAL 11 1HG2 VAL 11 -6.808 4.216 3.992 57 2HG2 VAL 11 2HG2 VAL 11 -6.208 4.537 5.636 58 3HG2 VAL 11 3HG2 VAL 11 -6.927 2.957 5.244 59 H LEU 12 H LEU 12 -9.509 6.572 3.609 60 HA LEU 12 HA LEU 12 -7.319 7.488 2.127 61 1HB LEU 12 1HB LEU 12 -9.871 6.722 1.600 62 2HB LEU 12 2HB LEU 12 -10.010 8.458 1.400 63 HG LEU 12 HG LEU 12 -8.156 8.408 -0.244 64 1HD1 LEU 12 1HD1 LEU 12 -8.246 5.532 -0.733 65 2HD1 LEU 12 2HD1 LEU 12 -6.857 6.639 -0.630 66 3HD1 LEU 12 3HD1 LEU 12 -7.553 5.943 0.854 67 1HD2 LEU 12 1HD2 LEU 12 -9.807 6.488 -1.600 68 2HD2 LEU 12 2HD2 LEU 12 -10.821 7.529 -0.572 69 3HD2 LEU 12 3HD2 LEU 12 -9.742 8.258 -1.785 70 H ASN 13 H ASN 13 -9.027 8.903 4.741 71 HA ASN 13 HA ASN 13 -8.551 11.583 3.807 72 1HB ASN 13 1HB ASN 13 -10.233 10.284 5.833 73 2HB ASN 13 2HB ASN 13 -9.345 11.615 6.548 74 1HD2 ASN 13 1HD2 ASN 13 -10.905 10.916 3.417 75 2HD2 ASN 13 2HD2 ASN 13 -11.822 12.380 3.298 76 H GLU 14 H GLU 14 -8.102 10.136 7.107 77 HA GLU 14 HA GLU 14 -6.081 11.694 7.911 78 1HB GLU 14 1HB GLU 14 -7.265 9.189 8.728 79 2HB GLU 14 2HB GLU 14 -5.529 9.064 8.929 80 1HG GLU 14 1HG GLU 14 -7.066 11.497 9.922 81 2HG GLU 14 2HG GLU 14 -6.913 10.053 10.904 82 H LEU 15 H LEU 15 -3.697 11.180 8.266 83 HA LEU 15 HA LEU 15 -2.635 9.638 6.006 84 1HB LEU 15 1HB LEU 15 -1.546 12.275 6.996 85 2HB LEU 15 2HB LEU 15 -0.932 11.313 5.665 86 HG LEU 15 HG LEU 15 -3.742 12.413 5.639 87 1HD1 LEU 15 1HD1 LEU 15 -2.924 14.484 5.608 88 2HD1 LEU 15 2HD1 LEU 15 -1.246 13.908 5.459 89 3HD1 LEU 15 3HD1 LEU 15 -2.258 14.086 4.006 90 1HD2 LEU 15 1HD2 LEU 15 -3.845 11.257 3.747 91 2HD2 LEU 15 2HD2 LEU 15 -2.616 12.351 3.070 92 3HD2 LEU 15 3HD2 LEU 15 -2.120 10.830 3.849 93 H VAL 16 H VAL 16 -0.009 9.548 6.507 94 HA VAL 16 HA VAL 16 0.059 8.101 9.011 95 HB VAL 16 HB VAL 16 0.992 7.457 6.639 96 1HG1 VAL 16 1HG1 VAL 16 2.517 9.651 6.926 97 2HG1 VAL 16 2HG1 VAL 16 3.596 8.457 7.685 98 3HG1 VAL 16 3HG1 VAL 16 3.044 8.219 6.010 99 1HG2 VAL 16 1HG2 VAL 16 2.533 6.932 9.204 100 2HG2 VAL 16 2HG2 VAL 16 1.093 6.047 8.646 101 3HG2 VAL 16 3HG2 VAL 16 2.609 5.955 7.718 102 H SER 17 H SER 17 2.017 8.396 10.471 103 HA SER 17 HA SER 17 2.676 11.237 10.557 104 1HB SER 17 1HB SER 17 2.567 9.482 13.025 105 2HB SER 17 2HB SER 17 2.503 11.230 12.930 106 HG SER 17 HG SER 17 0.413 10.034 13.336 107 H VAL 18 H VAL 18 4.866 11.771 10.876 108 HA VAL 18 HA VAL 18 6.789 9.955 10.128 109 HB VAL 18 HB VAL 18 6.994 12.483 11.776 110 1HG1 VAL 18 1HG1 VAL 18 9.230 11.225 10.171 111 2HG1 VAL 18 2HG1 VAL 18 9.319 12.548 11.358 112 3HG1 VAL 18 3HG1 VAL 18 8.991 10.886 11.902 113 1HG2 VAL 18 1HG2 VAL 18 7.247 11.958 8.796 114 2HG2 VAL 18 2HG2 VAL 18 5.970 12.883 9.622 115 3HG2 VAL 18 3HG2 VAL 18 7.639 13.501 9.593 116 H GLU 19 H GLU 19 5.894 11.063 13.469 117 HA GLU 19 HA GLU 19 7.696 9.740 14.909 118 1HB GLU 19 1HB GLU 19 5.326 11.042 15.441 119 2HB GLU 19 2HB GLU 19 4.924 9.411 15.943 120 1HG GLU 19 1HG GLU 19 7.398 10.944 16.873 121 2HG GLU 19 2HG GLU 19 5.914 10.806 17.793 122 H ASP 20 H ASP 20 4.942 8.332 13.131 123 HA ASP 20 HA ASP 20 5.416 5.765 14.325 124 1HB ASP 20 1HB ASP 20 3.336 7.052 12.649 125 2HB ASP 20 2HB ASP 20 3.664 5.396 12.175 126 H LEU 21 H LEU 21 5.157 7.109 10.936 127 HA LEU 21 HA LEU 21 6.166 5.056 9.525 128 1HB LEU 21 1HB LEU 21 5.277 7.114 8.579 129 2HB LEU 21 2HB LEU 21 6.686 8.004 9.119 130 HG LEU 21 HG LEU 21 7.512 5.755 7.500 131 1HD1 LEU 21 1HD1 LEU 21 6.331 7.373 5.500 132 2HD1 LEU 21 2HD1 LEU 21 6.000 5.667 5.881 133 3HD1 LEU 21 3HD1 LEU 21 5.046 6.952 6.657 134 1HD2 LEU 21 1HD2 LEU 21 7.727 8.746 7.053 135 2HD2 LEU 21 2HD2 LEU 21 8.862 7.747 7.992 136 3HD2 LEU 21 3HD2 LEU 21 8.680 7.480 6.242 137 H LYS 22 H LYS 22 8.106 7.625 11.192 138 HA LYS 22 HA LYS 22 10.588 6.619 10.436 139 1HB LYS 22 1HB LYS 22 11.485 8.176 11.914 140 2HB LYS 22 2HB LYS 22 9.950 8.889 11.462 141 1HG LYS 22 1HG LYS 22 9.971 9.120 13.817 142 2HG LYS 22 2HG LYS 22 8.972 7.702 13.567 143 1HD LYS 22 1HD LYS 22 10.380 6.524 14.895 144 2HD LYS 22 2HD LYS 22 11.634 6.715 13.685 145 1HE LYS 22 1HE LYS 22 11.476 9.204 15.105 146 2HE LYS 22 2HE LYS 22 11.454 7.935 16.313 147 1HZ LYS 22 1HZ LYS 22 13.541 7.397 15.847 148 2HZ LYS 22 2HZ LYS 22 13.353 7.505 14.228 149 3HZ LYS 22 3HZ LYS 22 13.647 8.849 15.107 150 H ASN 23 H ASN 23 8.442 5.882 13.234 151 HA ASN 23 HA ASN 23 10.210 4.345 14.640 152 1HB ASN 23 1HB ASN 23 7.428 4.955 14.719 153 2HB ASN 23 2HB ASN 23 7.500 3.204 14.678 154 1HD2 ASN 23 1HD2 ASN 23 6.573 3.457 16.830 155 2HD2 ASN 23 2HD2 ASN 23 7.616 3.654 18.198 156 H PHE 24 H PHE 24 8.122 3.624 11.804 157 HA PHE 24 HA PHE 24 8.690 0.811 11.897 158 1HB PHE 24 1HB PHE 24 7.273 2.813 10.067 159 2HB PHE 24 2HB PHE 24 7.531 1.173 9.506 160 HD1 PHE 24 1HD PHE 24 6.446 2.641 12.773 161 HD2 PHE 24 2HD PHE 24 5.589 -0.049 9.604 162 HE1 PHE 24 1HE PHE 24 4.361 1.906 13.960 163 HE2 PHE 24 2HE PHE 24 3.503 -0.782 10.792 164 HZ PHE 24 HZ PHE 24 2.914 0.203 12.956 165 H GLU 25 H GLU 25 9.477 3.581 9.676 166 HA GLU 25 HA GLU 25 10.940 2.280 7.855 167 1HB GLU 25 1HB GLU 25 10.722 4.533 7.375 168 2HB GLU 25 2HB GLU 25 11.030 5.034 9.025 169 1HG GLU 25 1HG GLU 25 13.453 4.471 8.745 170 2HG GLU 25 2HG GLU 25 13.145 3.967 7.094 171 H ARG 26 H ARG 26 12.096 3.484 11.070 172 HA ARG 26 HA ARG 26 14.720 2.883 10.786 173 1HB ARG 26 1HB ARG 26 14.516 3.846 12.850 174 2HB ARG 26 2HB ARG 26 12.842 3.350 12.994 175 1HG ARG 26 1HG ARG 26 13.467 1.159 13.838 176 2HG ARG 26 2HG ARG 26 15.153 1.407 13.423 177 1HD ARG 26 1HD ARG 26 15.519 2.297 15.478 178 2HD ARG 26 2HD ARG 26 14.415 3.605 15.103 179 HE ARG 26 HE ARG 26 12.966 1.203 15.845 180 1HH1 ARG 26 1HH1 ARG 26 14.769 3.916 17.176 181 2HH1 ARG 26 2HH1 ARG 26 13.963 3.864 18.709 182 1HH2 ARG 26 1HH2 ARG 26 11.903 1.134 17.867 183 2HH2 ARG 26 2HH2 ARG 26 12.323 2.270 19.105 184 H LYS 27 H LYS 27 11.962 0.747 11.694 185 HA LYS 27 HA LYS 27 13.510 -1.481 12.398 186 1HB LYS 27 1HB LYS 27 10.892 -0.811 12.601 187 2HB LYS 27 2HB LYS 27 10.809 -1.908 11.238 188 1HG LYS 27 1HG LYS 27 11.311 -3.746 12.516 189 2HG LYS 27 2HG LYS 27 12.547 -2.901 13.425 190 1HD LYS 27 1HD LYS 27 11.058 -2.161 15.055 191 2HD LYS 27 2HD LYS 27 9.710 -2.064 13.939 192 1HE LYS 27 1HE LYS 27 10.799 -4.813 14.452 193 2HE LYS 27 2HE LYS 27 9.975 -4.048 15.796 194 1HZ LYS 27 1HZ LYS 27 8.248 -4.977 14.701 195 2HZ LYS 27 2HZ LYS 27 8.244 -3.528 13.950 196 3HZ LYS 27 3HZ LYS 27 8.911 -4.825 13.217 197 H PHE 28 H PHE 28 11.796 -0.629 9.310 198 HA PHE 28 HA PHE 28 12.500 -2.797 7.839 199 1HB PHE 28 1HB PHE 28 11.073 -0.716 7.266 200 2HB PHE 28 2HB PHE 28 12.565 0.158 6.983 201 HD1 PHE 28 1HD PHE 28 13.373 0.267 4.823 202 HD2 PHE 28 2HD PHE 28 10.851 -2.975 5.889 203 HE1 PHE 28 1HE PHE 28 13.383 -0.524 2.442 204 HE2 PHE 28 2HE PHE 28 10.861 -3.767 3.507 205 HZ PHE 28 HZ PHE 28 12.127 -2.532 1.811 206 H GLN 29 H GLN 29 14.447 0.206 8.400 207 HA GLN 29 HA GLN 29 16.521 -0.578 6.714 208 1HB GLN 29 1HB GLN 29 16.366 1.388 9.030 209 2HB GLN 29 2HB GLN 29 17.831 1.172 8.093 210 1HG GLN 29 1HG GLN 29 16.575 1.729 6.000 211 2HG GLN 29 2HG GLN 29 15.110 1.945 6.936 212 1HE2 GLN 29 1HE2 GLN 29 15.413 4.054 5.719 213 2HE2 GLN 29 2HE2 GLN 29 16.228 5.338 6.548 214 H SER 30 H SER 30 16.376 -0.511 10.355 215 HA SER 30 HA SER 30 18.713 -1.681 10.891 216 1HB SER 30 1HB SER 30 16.360 -1.107 12.302 217 2HB SER 30 2HB SER 30 16.560 -2.831 12.544 218 HG SER 30 HG SER 30 18.316 -2.504 13.758 219 H GLU 31 H GLU 31 15.598 -3.573 10.737 220 HA GLU 31 HA GLU 31 16.599 -6.036 10.845 221 1HB GLU 31 1HB GLU 31 14.326 -5.039 9.075 222 2HB GLU 31 2HB GLU 31 14.618 -6.732 9.416 223 1HG GLU 31 1HG GLU 31 14.609 -5.165 11.894 224 2HG GLU 31 2HG GLU 31 13.128 -4.905 10.993 225 H GLN 32 H GLN 32 16.774 -3.784 8.096 226 HA GLN 32 HA GLN 32 17.436 -5.665 6.161 227 1HB GLN 32 1HB GLN 32 16.823 -3.052 6.076 228 2HB GLN 32 2HB GLN 32 18.566 -2.876 6.040 229 1HG GLN 32 1HG GLN 32 18.725 -4.327 4.055 230 2HG GLN 32 2HG GLN 32 17.012 -4.687 4.133 231 1HE2 GLN 32 1HE2 GLN 32 19.447 -2.329 3.374 232 2HE2 GLN 32 2HE2 GLN 32 18.449 -1.188 2.537 233 H ALA 33 H ALA 33 19.586 -3.349 7.976 234 HA ALA 33 HA ALA 33 21.947 -4.629 7.087 235 1HB ALA 33 1HB ALA 33 22.542 -3.187 9.413 236 2HB ALA 33 2HB ALA 33 22.608 -2.577 7.742 237 3HB ALA 33 3HB ALA 33 21.138 -2.341 8.719 238 H ALA 34 H ALA 34 19.521 -5.568 9.284 239 HA ALA 34 HA ALA 34 21.227 -6.798 11.221 240 1HB ALA 34 1HB ALA 34 19.280 -7.122 12.350 241 2HB ALA 34 2HB ALA 34 18.611 -5.987 11.153 242 3HB ALA 34 3HB ALA 34 18.433 -7.743 10.913 243 H GLY 35 H GLY 35 19.500 -7.747 8.220 244 1HA GLY 35 1HA GLY 35 21.164 -9.673 7.350 245 2HA GLY 35 2HA GLY 35 20.206 -10.538 8.535 246 H SER 36 H SER 36 17.738 -8.935 8.151 247 HA SER 36 HA SER 36 17.041 -8.959 5.451 248 1HB SER 36 1HB SER 36 15.363 -10.877 5.601 249 2HB SER 36 2HB SER 36 17.047 -11.351 5.507 250 HG SER 36 HG SER 36 15.782 -11.009 8.067 251 H VAL 37 H VAL 37 14.734 -8.308 5.161 252 HA VAL 37 HA VAL 37 13.721 -7.097 7.630 253 HB VAL 37 HB VAL 37 13.437 -6.420 4.705 254 1HG1 VAL 37 1HG1 VAL 37 12.182 -4.450 6.359 255 2HG1 VAL 37 2HG1 VAL 37 11.469 -5.434 5.059 256 3HG1 VAL 37 3HG1 VAL 37 11.470 -6.038 6.735 257 1HG2 VAL 37 1HG2 VAL 37 15.456 -5.550 5.607 258 2HG2 VAL 37 2HG2 VAL 37 14.306 -4.191 5.567 259 3HG2 VAL 37 3HG2 VAL 37 14.649 -5.024 7.103 260 H SER 38 H SER 38 11.822 -7.787 8.506 261 HA SER 38 HA SER 38 10.659 -10.105 7.470 262 1HB SER 38 1HB SER 38 9.583 -8.166 9.566 263 2HB SER 38 2HB SER 38 8.996 -9.796 9.301 264 HG SER 38 HG SER 38 11.027 -9.024 10.880 265 H LYS 39 H LYS 39 8.581 -10.424 6.469 266 HA LYS 39 HA LYS 39 7.866 -8.612 4.546 267 1HB LYS 39 1HB LYS 39 6.211 -10.781 5.870 268 2HB LYS 39 2HB LYS 39 5.751 -9.942 4.402 269 1HG LYS 39 1HG LYS 39 8.495 -10.847 4.130 270 2HG LYS 39 2HG LYS 39 7.511 -12.194 4.669 271 1HD LYS 39 1HD LYS 39 6.466 -12.371 2.651 272 2HD LYS 39 2HD LYS 39 6.132 -10.652 2.585 273 1HE LYS 39 1HE LYS 39 7.584 -10.967 0.748 274 2HE LYS 39 2HE LYS 39 8.665 -10.372 1.992 275 1HZ LYS 39 1HZ LYS 39 8.498 -13.122 2.259 276 2HZ LYS 39 2HZ LYS 39 8.756 -12.810 0.677 277 3HZ LYS 39 3HZ LYS 39 9.790 -12.235 1.801 278 H SER 40 H SER 40 6.372 -9.121 7.811 279 HA SER 40 HA SER 40 4.365 -7.356 7.649 280 1HB SER 40 1HB SER 40 6.233 -7.983 9.966 281 2HB SER 40 2HB SER 40 4.826 -6.958 10.168 282 HG SER 40 HG SER 40 3.728 -8.773 10.427 283 H THR 41 H THR 41 7.762 -6.606 8.728 284 HA THR 41 HA THR 41 7.421 -3.882 9.080 285 HB THR 41 HB THR 41 9.846 -5.532 8.191 286 HG1 THR 41 1HG THR 41 8.657 -4.558 10.691 287 1HG2 THR 41 1HG2 THR 41 10.451 -3.195 7.897 288 2HG2 THR 41 2HG2 THR 41 9.570 -2.724 9.370 289 3HG2 THR 41 3HG2 THR 41 11.070 -3.675 9.495 290 H GLN 42 H GLN 42 8.010 -5.759 6.087 291 HA GLN 42 HA GLN 42 8.549 -3.517 4.521 292 1HB GLN 42 1HB GLN 42 9.000 -6.003 4.008 293 2HB GLN 42 2HB GLN 42 7.315 -6.122 3.544 294 1HG GLN 42 1HG GLN 42 7.581 -4.541 1.746 295 2HG GLN 42 2HG GLN 42 9.130 -3.989 2.354 296 1HE2 GLN 42 1HE2 GLN 42 7.845 -5.572 -0.074 297 2HE2 GLN 42 2HE2 GLN 42 9.046 -6.763 -0.446 298 H PHE 43 H PHE 43 5.567 -5.613 4.514 299 HA PHE 43 HA PHE 43 4.004 -3.907 3.043 300 1HB PHE 43 1HB PHE 43 3.237 -6.145 3.505 301 2HB PHE 43 2HB PHE 43 3.590 -6.004 5.216 302 HD1 PHE 43 1HD PHE 43 1.344 -4.506 2.636 303 HD2 PHE 43 2HD PHE 43 1.828 -5.705 6.678 304 HE1 PHE 43 1HE PHE 43 -1.064 -3.957 3.087 305 HE2 PHE 43 2HE PHE 43 -0.580 -5.157 7.130 306 HZ PHE 43 HZ PHE 43 -1.997 -4.290 5.328 307 H GLU 44 H GLU 44 4.731 -3.897 6.556 308 HA GLU 44 HA GLU 44 2.718 -2.150 7.292 309 1HB GLU 44 1HB GLU 44 5.418 -2.862 8.467 310 2HB GLU 44 2HB GLU 44 4.430 -1.626 9.218 311 1HG GLU 44 1HG GLU 44 2.598 -3.186 9.578 312 2HG GLU 44 2HG GLU 44 3.353 -4.405 8.571 313 H TYR 45 H TYR 45 6.256 -1.316 7.126 314 HA TYR 45 HA TYR 45 5.923 1.407 7.105 315 1HB TYR 45 1HB TYR 45 8.105 0.353 7.398 316 2HB TYR 45 2HB TYR 45 7.919 -0.606 5.943 317 HD1 TYR 45 1HD TYR 45 8.089 3.009 6.954 318 HD2 TYR 45 2HD TYR 45 9.122 0.030 4.063 319 HE1 TYR 45 1HE TYR 45 9.412 4.736 5.638 320 HE2 TYR 45 2HE TYR 45 10.443 1.766 2.757 321 HH TYR 45 HH TYR 45 10.794 3.939 2.502 322 H ALA 46 H ALA 46 5.517 -0.939 4.465 323 HA ALA 46 HA ALA 46 5.726 0.917 2.355 324 1HB ALA 46 1HB ALA 46 4.402 -1.805 2.640 325 2HB ALA 46 2HB ALA 46 4.518 -0.923 1.098 326 3HB ALA 46 3HB ALA 46 5.997 -1.439 1.942 327 H TRP 47 H TRP 47 3.050 -0.213 4.467 328 HA TRP 47 HA TRP 47 1.015 1.069 2.974 329 1HB TRP 47 1HB TRP 47 0.417 -0.755 4.352 330 2HB TRP 47 2HB TRP 47 1.181 -0.054 5.765 331 HD1 TRP 47 HD TRP 47 -0.620 0.850 7.412 332 HE1 TRP 47 1HE TRP 47 -3.004 1.975 7.329 333 HE3 TRP 47 3HE TRP 47 -1.008 0.878 2.342 334 HZ2 TRP 47 2HZ TRP 47 -4.747 2.733 5.200 335 HZ3 TRP 47 3HZ TRP 47 -3.085 1.828 1.342 336 HH2 TRP 47 HH TRP 47 -4.915 2.735 2.684 337 H CYS 48 H CYS 48 3.390 2.024 5.431 338 HA CYS 48 HA CYS 48 2.125 4.281 6.412 339 1HB CYS 48 1HB CYS 48 5.093 3.744 6.059 340 2HB CYS 48 2HB CYS 48 4.416 5.041 7.024 341 HG CYS 48 HG CYS 48 5.295 2.802 8.370 342 H LEU 49 H LEU 49 4.730 4.050 3.868 343 HA LEU 49 HA LEU 49 4.850 6.553 2.993 344 1HB LEU 49 1HB LEU 49 4.767 4.018 1.359 345 2HB LEU 49 2HB LEU 49 5.208 5.578 0.693 346 HG LEU 49 HG LEU 49 7.296 4.859 1.150 347 1HD1 LEU 49 1HD1 LEU 49 6.581 5.666 3.980 348 2HD1 LEU 49 2HD1 LEU 49 8.184 5.721 3.208 349 3HD1 LEU 49 3HD1 LEU 49 6.889 6.806 2.648 350 1HD2 LEU 49 1HD2 LEU 49 7.292 3.377 3.562 351 2HD2 LEU 49 2HD2 LEU 49 5.898 2.824 2.605 352 3HD2 LEU 49 3HD2 LEU 49 7.532 2.788 1.900 353 H VAL 50 H VAL 50 2.545 4.222 1.419 354 HA VAL 50 HA VAL 50 1.113 6.085 0.030 355 HB VAL 50 HB VAL 50 -0.734 4.400 0.139 356 1HG1 VAL 50 1HG1 VAL 50 0.969 2.476 -0.698 357 2HG1 VAL 50 2HG1 VAL 50 0.545 3.905 -1.671 358 3HG1 VAL 50 3HG1 VAL 50 2.059 3.883 -0.734 359 1HG2 VAL 50 1HG2 VAL 50 -0.537 3.498 2.330 360 2HG2 VAL 50 2HG2 VAL 50 -0.104 2.185 1.210 361 3HG2 VAL 50 3HG2 VAL 50 1.172 3.069 2.080 362 H ARG 51 H ARG 51 0.687 4.991 3.444 363 HA ARG 51 HA ARG 51 -1.636 6.413 3.882 364 1HB ARG 51 1HB ARG 51 0.553 5.280 5.636 365 2HB ARG 51 2HB ARG 51 -0.631 6.338 6.378 366 1HG ARG 51 1HG ARG 51 -1.588 4.074 4.611 367 2HG ARG 51 2HG ARG 51 -1.062 3.714 6.244 368 1HD ARG 51 1HD ARG 51 -3.074 5.933 5.706 369 2HD ARG 51 2HD ARG 51 -3.592 4.266 5.856 370 HE ARG 51 HE ARG 51 -1.882 4.907 8.070 371 1HH1 ARG 51 1HH1 ARG 51 -5.101 5.606 6.832 372 2HH1 ARG 51 2HH1 ARG 51 -5.775 5.914 8.396 373 1HH2 ARG 51 1HH2 ARG 51 -2.773 5.312 10.136 374 2HH2 ARG 51 2HH2 ARG 51 -4.443 5.745 10.289 375 H SER 52 H SER 52 1.686 7.428 3.524 376 HA SER 52 HA SER 52 1.608 9.693 5.147 377 1HB SER 52 1HB SER 52 3.643 8.499 4.087 378 2HB SER 52 2HB SER 52 3.269 9.377 2.617 379 HG SER 52 HG SER 52 3.880 10.534 5.204 380 H LYS 53 H LYS 53 2.442 11.823 3.424 381 HA LYS 53 HA LYS 53 -0.045 12.285 1.929 382 1HB LYS 53 1HB LYS 53 0.179 14.640 2.480 383 2HB LYS 53 2HB LYS 53 0.132 13.672 3.941 384 1HG LYS 53 1HG LYS 53 2.807 13.699 3.626 385 2HG LYS 53 2HG LYS 53 2.456 15.158 2.720 386 1HD LYS 53 1HD LYS 53 0.898 15.222 5.155 387 2HD LYS 53 2HD LYS 53 2.550 14.819 5.579 388 1HE LYS 53 1HE LYS 53 3.388 16.868 4.869 389 2HE LYS 53 2HE LYS 53 2.213 17.028 3.578 390 1HZ LYS 53 1HZ LYS 53 0.941 17.059 6.084 391 2HZ LYS 53 2HZ LYS 53 2.106 18.201 6.034 392 3HZ LYS 53 3HZ LYS 53 0.924 18.192 4.909 393 H TYR 54 H TYR 54 3.351 11.799 1.778 394 HA TYR 54 HA TYR 54 3.819 13.466 -0.505 395 1HB TYR 54 1HB TYR 54 5.196 11.290 1.137 396 2HB TYR 54 2HB TYR 54 5.901 11.725 -0.408 397 HD1 TYR 54 1HD TYR 54 4.487 13.576 2.548 398 HD2 TYR 54 2HD TYR 54 7.680 13.194 -0.274 399 HE1 TYR 54 1HE TYR 54 5.696 15.526 3.642 400 HE2 TYR 54 2HE TYR 54 8.878 15.145 0.830 401 HH TYR 54 HH TYR 54 8.168 17.158 2.185 402 H ASN 55 H ASN 55 3.753 12.935 -2.665 403 HA ASN 55 HA ASN 55 2.295 10.635 -3.343 404 1HB ASN 55 1HB ASN 55 3.869 12.631 -5.053 405 2HB ASN 55 2HB ASN 55 2.828 11.394 -5.727 406 1HD2 ASN 55 1HD2 ASN 55 3.034 14.529 -4.625 407 2HD2 ASN 55 2HD2 ASN 55 1.354 14.918 -4.451 408 H GLU 56 H GLU 56 5.731 11.746 -3.712 409 HA GLU 56 HA GLU 56 6.670 9.657 -5.191 410 1HB GLU 56 1HB GLU 56 7.985 11.423 -3.097 411 2HB GLU 56 2HB GLU 56 8.904 10.213 -3.971 412 1HG GLU 56 1HG GLU 56 7.877 11.303 -6.132 413 2HG GLU 56 2HG GLU 56 7.471 12.650 -5.088 414 H ASP 57 H ASP 57 5.490 9.669 -1.926 415 HA ASP 57 HA ASP 57 7.029 7.378 -1.163 416 1HB ASP 57 1HB ASP 57 4.684 8.800 0.185 417 2HB ASP 57 2HB ASP 57 5.604 7.503 0.920 418 H ILE 58 H ILE 58 3.654 8.308 -2.073 419 HA ILE 58 HA ILE 58 2.319 5.993 -1.529 420 HB ILE 58 HB ILE 58 2.001 7.952 -3.800 421 1HG1 ILE 58 1HG1 ILE 58 0.273 7.745 -1.346 422 2HG1 ILE 58 2HG1 ILE 58 1.798 8.606 -1.279 423 1HG2 ILE 58 1HG2 ILE 58 -0.172 7.071 -4.225 424 2HG2 ILE 58 2HG2 ILE 58 0.976 5.713 -4.291 425 3HG2 ILE 58 3HG2 ILE 58 -0.052 5.940 -2.856 426 1HD1 ILE 58 1HD1 ILE 58 0.615 9.524 -3.665 427 2HD1 ILE 58 2HD1 ILE 58 -0.733 9.421 -2.507 428 3HD1 ILE 58 3HD1 ILE 58 0.700 10.403 -2.118 429 H ARG 59 H ARG 59 4.697 6.667 -4.078 430 HA ARG 59 HA ARG 59 4.017 4.397 -5.593 431 1HB ARG 59 1HB ARG 59 5.242 6.439 -6.471 432 2HB ARG 59 2HB ARG 59 6.645 5.964 -5.535 433 1HG ARG 59 1HG ARG 59 6.754 3.800 -6.779 434 2HG ARG 59 2HG ARG 59 5.338 4.256 -7.706 435 1HD ARG 59 1HD ARG 59 7.427 6.346 -7.764 436 2HD ARG 59 2HD ARG 59 8.007 4.813 -8.386 437 HE ARG 59 HE ARG 59 5.520 5.119 -9.599 438 1HH1 ARG 59 1HH1 ARG 59 8.445 7.069 -9.421 439 2HH1 ARG 59 2HH1 ARG 59 8.195 7.812 -10.965 440 1HH2 ARG 59 1HH2 ARG 59 5.192 6.100 -11.636 441 2HH2 ARG 59 2HH2 ARG 59 6.333 7.257 -12.234 442 H ARG 60 H ARG 60 6.096 5.086 -2.804 443 HA ARG 60 HA ARG 60 7.808 2.933 -3.043 444 1HB ARG 60 1HB ARG 60 7.188 4.986 -1.100 445 2HB ARG 60 2HB ARG 60 7.275 3.456 -0.250 446 1HG ARG 60 1HG ARG 60 9.536 3.451 -0.399 447 2HG ARG 60 2HG ARG 60 9.456 3.553 -2.148 448 1HD ARG 60 1HD ARG 60 8.986 6.108 -1.779 449 2HD ARG 60 2HD ARG 60 9.553 5.840 -0.142 450 HE ARG 60 HE ARG 60 11.403 4.724 -2.082 451 1HH1 ARG 60 1HH1 ARG 60 10.392 7.742 -0.581 452 2HH1 ARG 60 2HH1 ARG 60 11.916 8.525 -0.830 453 1HH2 ARG 60 1HH2 ARG 60 13.415 5.756 -2.410 454 2HH2 ARG 60 2HH2 ARG 60 13.647 7.388 -1.878 455 H GLY 61 H GLY 61 5.062 3.290 -0.669 456 1HA GLY 61 1HA GLY 61 4.833 0.828 0.327 457 2HA GLY 61 2HA GLY 61 3.440 1.804 -0.094 458 H ILE 62 H ILE 62 4.134 1.771 -3.045 459 HA ILE 62 HA ILE 62 2.704 -0.602 -3.666 460 HB ILE 62 HB ILE 62 4.043 1.486 -5.387 461 1HG1 ILE 62 1HG1 ILE 62 1.112 1.105 -4.716 462 2HG1 ILE 62 2HG1 ILE 62 2.168 2.238 -3.896 463 1HG2 ILE 62 1HG2 ILE 62 1.973 -0.496 -6.326 464 2HG2 ILE 62 2HG2 ILE 62 3.027 0.569 -7.288 465 3HG2 ILE 62 3HG2 ILE 62 3.718 -0.831 -6.431 466 1HD1 ILE 62 1HD1 ILE 62 2.285 2.416 -6.861 467 2HD1 ILE 62 2HD1 ILE 62 0.703 2.827 -6.155 468 3HD1 ILE 62 3HD1 ILE 62 2.161 3.712 -5.647 469 H VAL 63 H VAL 63 5.938 0.534 -4.878 470 HA VAL 63 HA VAL 63 6.859 -1.688 -5.988 471 HB VAL 63 HB VAL 63 8.036 0.475 -5.731 472 1HG1 VAL 63 1HG1 VAL 63 7.956 -0.260 -2.933 473 2HG1 VAL 63 2HG1 VAL 63 9.634 0.024 -3.455 474 3HG1 VAL 63 3HG1 VAL 63 8.403 1.290 -3.686 475 1HG2 VAL 63 1HG2 VAL 63 9.179 -1.531 -6.617 476 2HG2 VAL 63 2HG2 VAL 63 10.293 -0.449 -5.749 477 3HG2 VAL 63 3HG2 VAL 63 9.714 -1.941 -4.970 478 H LEU 64 H LEU 64 6.435 -1.145 -2.477 479 HA LEU 64 HA LEU 64 7.707 -3.644 -1.834 480 1HB LEU 64 1HB LEU 64 6.051 -2.028 0.066 481 2HB LEU 64 2HB LEU 64 7.450 -3.034 0.386 482 HG LEU 64 HG LEU 64 7.474 -0.339 -1.002 483 1HD1 LEU 64 1HD1 LEU 64 7.983 -1.223 1.810 484 2HD1 LEU 64 2HD1 LEU 64 8.946 0.116 1.137 485 3HD1 LEU 64 3HD1 LEU 64 7.170 0.236 1.193 486 1HD2 LEU 64 1HD2 LEU 64 10.042 -0.711 -0.501 487 2HD2 LEU 64 2HD2 LEU 64 9.580 -2.426 -0.625 488 3HD2 LEU 64 3HD2 LEU 64 9.285 -1.325 -1.991 489 H LEU 65 H LEU 65 4.353 -2.281 -1.479 490 HA LEU 65 HA LEU 65 3.132 -4.619 -0.731 491 1HB LEU 65 1HB LEU 65 2.214 -2.155 -2.168 492 2HB LEU 65 2HB LEU 65 1.113 -3.501 -1.949 493 HG LEU 65 HG LEU 65 0.734 -2.993 0.193 494 1HD1 LEU 65 1HD1 LEU 65 2.595 -2.313 1.794 495 2HD1 LEU 65 2HD1 LEU 65 2.695 -3.942 1.083 496 3HD1 LEU 65 3HD1 LEU 65 3.720 -2.631 0.451 497 1HD2 LEU 65 1HD2 LEU 65 0.397 -0.801 0.286 498 2HD2 LEU 65 2HD2 LEU 65 2.142 -0.481 0.427 499 3HD2 LEU 65 3HD2 LEU 65 1.394 -0.637 -1.180 500 H GLU 66 H GLU 66 3.831 -3.368 -4.048 501 HA GLU 66 HA GLU 66 2.531 -5.458 -5.344 502 1HB GLU 66 1HB GLU 66 4.667 -3.465 -6.157 503 2HB GLU 66 2HB GLU 66 4.160 -4.719 -7.272 504 1HG GLU 66 1HG GLU 66 1.707 -3.881 -6.609 505 2HG GLU 66 2HG GLU 66 2.554 -2.418 -6.148 506 H GLU 67 H GLU 67 5.368 -5.433 -3.437 507 HA GLU 67 HA GLU 67 6.525 -7.642 -4.914 508 1HB GLU 67 1HB GLU 67 7.531 -5.636 -2.943 509 2HB GLU 67 2HB GLU 67 8.235 -7.235 -2.816 510 1HG GLU 67 1HG GLU 67 8.081 -6.492 -5.622 511 2HG GLU 67 2HG GLU 67 8.850 -5.193 -4.729 512 H LEU 68 H LEU 68 4.898 -6.776 -1.860 513 HA LEU 68 HA LEU 68 5.388 -9.356 -0.696 514 1HB LEU 68 1HB LEU 68 3.506 -7.174 0.205 515 2HB LEU 68 2HB LEU 68 4.081 -8.534 1.149 516 HG LEU 68 HG LEU 68 6.241 -6.853 0.068 517 1HD1 LEU 68 1HD1 LEU 68 4.032 -5.644 1.669 518 2HD1 LEU 68 2HD1 LEU 68 5.706 -5.187 2.062 519 3HD1 LEU 68 3HD1 LEU 68 5.075 -4.924 0.419 520 1HD2 LEU 68 1HD2 LEU 68 6.127 -8.766 1.926 521 2HD2 LEU 68 2HD2 LEU 68 7.324 -7.450 1.972 522 3HD2 LEU 68 3HD2 LEU 68 5.858 -7.355 2.977 523 H LEU 69 H LEU 69 3.088 -7.877 -2.875 524 HA LEU 69 HA LEU 69 0.854 -9.448 -2.294 525 1HB LEU 69 1HB LEU 69 1.639 -7.467 -4.163 526 2HB LEU 69 2HB LEU 69 1.022 -8.824 -5.084 527 HG LEU 69 HG LEU 69 -0.598 -7.894 -2.754 528 1HD1 LEU 69 1HD1 LEU 69 0.196 -5.827 -3.979 529 2HD1 LEU 69 2HD1 LEU 69 -0.709 -6.422 -5.392 530 3HD1 LEU 69 3HD1 LEU 69 -1.567 -6.049 -3.878 531 1HD2 LEU 69 1HD2 LEU 69 -1.884 -8.386 -5.343 532 2HD2 LEU 69 2HD2 LEU 69 -0.954 -9.771 -4.727 533 3HD2 LEU 69 3HD2 LEU 69 -2.242 -9.052 -3.732 534 HA PRO 70 HA PRO 70 2.538 -12.491 -5.465 535 1HB PRO 70 1HB PRO 70 4.935 -12.067 -6.705 536 2HB PRO 70 2HB PRO 70 3.398 -11.599 -7.405 537 1HG PRO 70 1HG PRO 70 5.461 -9.891 -6.151 538 2HG PRO 70 2HG PRO 70 4.149 -9.426 -7.215 539 1HD PRO 70 1HD PRO 70 4.257 -9.078 -4.370 540 2HD PRO 70 2HD PRO 70 2.900 -8.719 -5.419 541 H LYS 71 H LYS 71 4.240 -11.215 -2.941 542 HA LYS 71 HA LYS 71 5.542 -13.818 -2.553 543 1HB LYS 71 1HB LYS 71 6.685 -11.176 -1.619 544 2HB LYS 71 2HB LYS 71 7.450 -12.751 -1.586 545 1HG LYS 71 1HG LYS 71 7.402 -12.832 -4.085 546 2HG LYS 71 2HG LYS 71 6.626 -11.261 -4.124 547 1HD LYS 71 1HD LYS 71 8.571 -10.167 -3.180 548 2HD LYS 71 2HD LYS 71 9.308 -11.697 -2.744 549 1HE LYS 71 1HE LYS 71 9.535 -12.291 -5.155 550 2HE LYS 71 2HE LYS 71 8.756 -10.789 -5.611 551 1HZ LYS 71 1HZ LYS 71 10.612 -9.661 -5.224 552 2HZ LYS 71 2HZ LYS 71 10.965 -10.447 -3.837 553 3HZ LYS 71 3HZ LYS 71 11.381 -11.100 -5.274 554 H GLY 72 H GLY 72 2.830 -12.881 -1.806 555 1HA GLY 72 1HA GLY 72 3.159 -12.999 1.133 556 2HA GLY 72 2HA GLY 72 1.965 -11.982 0.351 557 H SER 73 H SER 73 0.283 -13.155 1.541 558 HA SER 73 HA SER 73 -0.063 -15.891 0.632 559 1HB SER 73 1HB SER 73 -0.298 -14.761 3.156 560 2HB SER 73 2HB SER 73 -1.970 -14.815 2.634 561 HG SER 73 HG SER 73 -0.442 -17.154 2.148 562 H LYS 74 H LYS 74 -2.605 -16.456 0.447 563 HA LYS 74 HA LYS 74 -3.559 -14.798 -1.670 564 1HB LYS 74 1HB LYS 74 -4.324 -17.397 -0.416 565 2HB LYS 74 2HB LYS 74 -5.567 -16.529 -1.294 566 1HG LYS 74 1HG LYS 74 -3.553 -16.277 -3.098 567 2HG LYS 74 2HG LYS 74 -3.018 -17.751 -2.316 568 1HD LYS 74 1HD LYS 74 -5.873 -17.944 -2.786 569 2HD LYS 74 2HD LYS 74 -5.096 -17.445 -4.276 570 1HE LYS 74 1HE LYS 74 -3.372 -19.437 -3.341 571 2HE LYS 74 2HE LYS 74 -4.943 -20.040 -2.852 572 1HZ LYS 74 1HZ LYS 74 -3.868 -20.118 -5.358 573 2HZ LYS 74 2HZ LYS 74 -5.394 -20.520 -4.939 574 3HZ LYS 74 3HZ LYS 74 -5.061 -19.008 -5.461 575 H GLU 75 H GLU 75 -4.944 -15.786 1.547 576 HA GLU 75 HA GLU 75 -6.982 -13.894 1.394 577 1HB GLU 75 1HB GLU 75 -7.279 -14.406 3.840 578 2HB GLU 75 2HB GLU 75 -7.211 -15.835 2.828 579 1HG GLU 75 1HG GLU 75 -5.222 -16.552 3.734 580 2HG GLU 75 2HG GLU 75 -4.554 -14.933 3.814 581 H GLU 76 H GLU 76 -3.633 -13.499 1.821 582 HA GLU 76 HA GLU 76 -3.943 -11.196 3.537 583 1HB GLU 76 1HB GLU 76 -1.592 -12.809 2.533 584 2HB GLU 76 2HB GLU 76 -1.322 -11.186 3.135 585 1HG GLU 76 1HG GLU 76 -2.959 -12.211 5.112 586 2HG GLU 76 2HG GLU 76 -2.093 -13.653 4.618 587 H GLN 77 H GLN 77 -3.701 -12.080 0.172 588 HA GLN 77 HA GLN 77 -2.503 -9.720 -0.743 589 1HB GLN 77 1HB GLN 77 -3.886 -12.077 -1.920 590 2HB GLN 77 2HB GLN 77 -3.990 -10.617 -2.885 591 1HG GLN 77 1HG GLN 77 -1.428 -10.389 -2.544 592 2HG GLN 77 2HG GLN 77 -1.466 -12.027 -1.923 593 1HE2 GLN 77 1HE2 GLN 77 -0.172 -12.743 -3.612 594 2HE2 GLN 77 2HE2 GLN 77 -0.770 -12.995 -5.217 595 H ARG 78 H ARG 78 -5.778 -10.611 0.236 596 HA ARG 78 HA ARG 78 -7.118 -8.637 -1.185 597 1HB ARG 78 1HB ARG 78 -7.768 -10.107 1.413 598 2HB ARG 78 2HB ARG 78 -8.895 -8.993 0.665 599 1HG ARG 78 1HG ARG 78 -9.584 -11.025 -0.274 600 2HG ARG 78 2HG ARG 78 -8.496 -10.433 -1.515 601 1HD ARG 78 1HD ARG 78 -6.959 -12.098 -1.142 602 2HD ARG 78 2HD ARG 78 -7.109 -11.985 0.600 603 HE ARG 78 HE ARG 78 -8.812 -13.621 0.562 604 1HH1 ARG 78 1HH1 ARG 78 -8.053 -12.578 -2.712 605 2HH1 ARG 78 2HH1 ARG 78 -8.957 -13.851 -3.464 606 1HH2 ARG 78 1HH2 ARG 78 -10.003 -15.301 -0.430 607 2HH2 ARG 78 2HH2 ARG 78 -10.073 -15.410 -2.157 608 H ASP 79 H ASP 79 -4.976 -8.514 1.544 609 HA ASP 79 HA ASP 79 -6.142 -6.104 2.581 610 1HB ASP 79 1HB ASP 79 -4.289 -8.153 3.498 611 2HB ASP 79 2HB ASP 79 -3.542 -6.580 3.690 612 H TYR 80 H TYR 80 -3.631 -7.245 0.380 613 HA TYR 80 HA TYR 80 -2.031 -4.875 0.486 614 1HB TYR 80 1HB TYR 80 -2.368 -7.280 -1.408 615 2HB TYR 80 2HB TYR 80 -1.112 -6.081 -1.642 616 HD1 TYR 80 1HD TYR 80 -0.689 -5.771 1.497 617 HD2 TYR 80 2HD TYR 80 -0.736 -9.089 -1.205 618 HE1 TYR 80 1HE TYR 80 0.840 -7.072 3.057 619 HE2 TYR 80 2HE TYR 80 0.793 -10.379 0.365 620 HH TYR 80 HH TYR 80 2.087 -10.247 2.124 621 H VAL 81 H VAL 81 -3.811 -6.365 -2.310 622 HA VAL 81 HA VAL 81 -3.812 -4.375 -4.040 623 HB VAL 81 HB VAL 81 -6.252 -5.984 -3.258 624 1HG1 VAL 81 1HG1 VAL 81 -6.550 -5.730 -5.881 625 2HG1 VAL 81 2HG1 VAL 81 -7.147 -4.487 -4.755 626 3HG1 VAL 81 3HG1 VAL 81 -5.605 -4.247 -5.611 627 1HG2 VAL 81 1HG2 VAL 81 -3.774 -6.632 -4.820 628 2HG2 VAL 81 2HG2 VAL 81 -4.693 -7.632 -3.669 629 3HG2 VAL 81 3HG2 VAL 81 -5.321 -7.359 -5.313 630 H PHE 82 H PHE 82 -6.193 -4.581 -1.303 631 HA PHE 82 HA PHE 82 -7.676 -2.419 -1.674 632 1HB PHE 82 1HB PHE 82 -7.616 -3.993 0.323 633 2HB PHE 82 2HB PHE 82 -6.149 -3.212 0.880 634 HD1 PHE 82 1HD PHE 82 -9.282 -1.693 -0.450 635 HD2 PHE 82 2HD PHE 82 -6.715 -2.203 2.891 636 HE1 PHE 82 1HE PHE 82 -10.655 -0.046 0.857 637 HE2 PHE 82 2HE PHE 82 -8.088 -0.557 4.197 638 HZ PHE 82 HZ PHE 82 -10.041 0.502 3.165 639 H TYR 83 H TYR 83 -4.294 -2.371 -0.385 640 HA TYR 83 HA TYR 83 -4.300 0.464 -0.074 641 1HB TYR 83 1HB TYR 83 -2.274 -1.842 -0.132 642 2HB TYR 83 2HB TYR 83 -1.723 -0.191 0.069 643 HD1 TYR 83 1HD TYR 83 -0.819 -1.631 2.180 644 HD2 TYR 83 2HD TYR 83 -4.849 -0.312 1.610 645 HE1 TYR 83 1HE TYR 83 -1.236 -1.798 4.683 646 HE2 TYR 83 2HE TYR 83 -5.252 -0.484 4.114 647 HH TYR 83 HH TYR 83 -2.728 -1.735 6.264 648 H LEU 84 H LEU 84 -2.691 -1.836 -2.388 649 HA LEU 84 HA LEU 84 -1.324 -0.135 -3.932 650 1HB LEU 84 1HB LEU 84 -2.963 -2.552 -4.645 651 2HB LEU 84 2HB LEU 84 -2.044 -1.687 -5.862 652 HG LEU 84 HG LEU 84 0.008 -2.039 -4.392 653 1HD1 LEU 84 1HD1 LEU 84 -2.025 -3.590 -2.850 654 2HD1 LEU 84 2HD1 LEU 84 -0.373 -4.243 -2.974 655 3HD1 LEU 84 3HD1 LEU 84 -0.642 -2.624 -2.283 656 1HD2 LEU 84 1HD2 LEU 84 0.381 -4.309 -5.220 657 2HD2 LEU 84 2HD2 LEU 84 -1.359 -4.480 -5.558 658 3HD2 LEU 84 3HD2 LEU 84 -0.391 -3.286 -6.456 659 H ALA 85 H ALA 85 -4.890 -0.620 -3.953 660 HA ALA 85 HA ALA 85 -5.309 1.104 -6.165 661 1HB ALA 85 1HB ALA 85 -7.647 0.824 -5.618 662 2HB ALA 85 2HB ALA 85 -6.837 -0.740 -5.363 663 3HB ALA 85 3HB ALA 85 -7.251 0.285 -3.969 664 H VAL 86 H VAL 86 -5.613 1.463 -2.567 665 HA VAL 86 HA VAL 86 -6.519 4.041 -2.495 666 HB VAL 86 HB VAL 86 -4.820 2.341 -0.715 667 1HG1 VAL 86 1HG1 VAL 86 -5.540 5.232 -0.119 668 2HG1 VAL 86 2HG1 VAL 86 -4.782 4.081 1.007 669 3HG1 VAL 86 3HG1 VAL 86 -3.904 4.612 -0.448 670 1HG2 VAL 86 1HG2 VAL 86 -7.442 3.708 -0.090 671 2HG2 VAL 86 2HG2 VAL 86 -7.372 2.176 -0.993 672 3HG2 VAL 86 3HG2 VAL 86 -6.726 2.263 0.663 673 H GLY 87 H GLY 87 -3.070 2.903 -2.572 674 1HA GLY 87 1HA GLY 87 -1.928 5.469 -2.642 675 2HA GLY 87 2HA GLY 87 -1.175 3.967 -3.142 676 H ASN 88 H ASN 88 -2.614 3.078 -5.302 677 HA ASN 88 HA ASN 88 -1.634 4.525 -7.355 678 1HB ASN 88 1HB ASN 88 -3.745 2.437 -7.019 679 2HB ASN 88 2HB ASN 88 -3.897 3.374 -8.491 680 1HD2 ASN 88 1HD2 ASN 88 -2.126 1.002 -6.759 681 2HD2 ASN 88 2HD2 ASN 88 -0.953 0.596 -7.967 682 H TYR 89 H TYR 89 -5.000 4.542 -5.966 683 HA TYR 89 HA TYR 89 -6.186 6.326 -7.670 684 1HB TYR 89 1HB TYR 89 -7.504 5.223 -5.981 685 2HB TYR 89 2HB TYR 89 -6.334 5.566 -4.722 686 HD1 TYR 89 1HD TYR 89 -6.579 7.450 -3.309 687 HD2 TYR 89 2HD TYR 89 -8.943 7.148 -6.862 688 HE1 TYR 89 1HE TYR 89 -7.982 9.432 -2.554 689 HE2 TYR 89 2HE TYR 89 -10.337 9.130 -6.095 690 HH TYR 89 HH TYR 89 -10.929 10.174 -3.908 691 H ARG 90 H ARG 90 -4.243 7.014 -4.691 692 HA ARG 90 HA ARG 90 -4.673 9.685 -4.580 693 1HB ARG 90 1HB ARG 90 -3.080 7.878 -3.233 694 2HB ARG 90 2HB ARG 90 -1.856 8.818 -4.062 695 1HG ARG 90 1HG ARG 90 -4.098 10.136 -2.473 696 2HG ARG 90 2HG ARG 90 -2.591 9.650 -1.721 697 1HD ARG 90 1HD ARG 90 -1.445 11.024 -3.660 698 2HD ARG 90 2HD ARG 90 -3.025 11.749 -3.874 699 HE ARG 90 HE ARG 90 -2.089 11.744 -1.088 700 1HH1 ARG 90 1HH1 ARG 90 -2.143 13.509 -4.132 701 2HH1 ARG 90 2HH1 ARG 90 -1.833 15.045 -3.394 702 1HH2 ARG 90 1HH2 ARG 90 -1.680 13.771 -0.114 703 2HH2 ARG 90 2HH2 ARG 90 -1.568 15.195 -1.093 704 H LEU 91 H LEU 91 -2.405 7.809 -6.645 705 HA LEU 91 HA LEU 91 -1.231 10.220 -7.712 706 1HB LEU 91 1HB LEU 91 -0.829 7.375 -8.625 707 2HB LEU 91 2HB LEU 91 0.201 8.759 -8.935 708 HG LEU 91 HG LEU 91 -0.288 7.822 -6.114 709 1HD1 LEU 91 1HD1 LEU 91 0.664 6.073 -7.972 710 2HD1 LEU 91 2HD1 LEU 91 2.170 6.832 -7.405 711 3HD1 LEU 91 3HD1 LEU 91 1.077 6.045 -6.242 712 1HD2 LEU 91 1HD2 LEU 91 0.937 9.654 -5.759 713 2HD2 LEU 91 2HD2 LEU 91 2.314 8.689 -6.343 714 3HD2 LEU 91 3HD2 LEU 91 1.442 9.764 -7.462 715 H LYS 92 H LYS 92 -4.224 9.056 -7.988 716 HA LYS 92 HA LYS 92 -5.831 9.341 -9.479 717 1HB LYS 92 1HB LYS 92 -3.746 10.743 -11.177 718 2HB LYS 92 2HB LYS 92 -5.475 10.766 -11.457 719 1HG LYS 92 1HG LYS 92 -5.435 11.548 -8.836 720 2HG LYS 92 2HG LYS 92 -3.872 12.158 -9.341 721 1HD LYS 92 1HD LYS 92 -5.819 12.791 -11.397 722 2HD LYS 92 2HD LYS 92 -6.462 13.296 -9.847 723 1HE LYS 92 1HE LYS 92 -5.135 15.133 -9.957 724 2HE LYS 92 2HE LYS 92 -3.742 14.086 -9.773 725 1HZ LYS 92 1HZ LYS 92 -3.204 14.526 -11.845 726 2HZ LYS 92 2HZ LYS 92 -4.623 13.944 -12.407 727 3HZ LYS 92 3HZ LYS 92 -4.489 15.521 -12.007 728 H GLU 93 H GLU 93 -3.799 7.046 -9.410 729 HA GLU 93 HA GLU 93 -3.799 6.172 -12.131 730 1HB GLU 93 1HB GLU 93 -2.830 4.966 -9.515 731 2HB GLU 93 2HB GLU 93 -2.820 4.040 -11.003 732 1HG GLU 93 1HG GLU 93 -1.567 6.805 -10.918 733 2HG GLU 93 2HG GLU 93 -0.675 5.417 -10.330 734 H TYR 94 H TYR 94 -6.413 6.642 -11.561 735 HA TYR 94 HA TYR 94 -7.971 4.872 -10.274 736 1HB TYR 94 1HB TYR 94 -8.315 5.848 -13.177 737 2HB TYR 94 2HB TYR 94 -9.622 5.470 -12.071 738 HD1 TYR 94 1HD TYR 94 -9.198 8.087 -13.607 739 HD2 TYR 94 2HD TYR 94 -8.109 6.874 -9.651 740 HE1 TYR 94 1HE TYR 94 -9.255 10.510 -12.841 741 HE2 TYR 94 2HE TYR 94 -8.169 9.302 -8.898 742 HH TYR 94 HH TYR 94 -7.950 11.490 -9.863 743 H GLU 95 H GLU 95 -6.866 4.459 -13.718 744 HA GLU 95 HA GLU 95 -7.996 2.157 -14.330 745 1HB GLU 95 1HB GLU 95 -5.157 3.094 -14.872 746 2HB GLU 95 2HB GLU 95 -5.780 1.619 -15.585 747 1HG GLU 95 1HG GLU 95 -7.165 4.329 -15.847 748 2HG GLU 95 2HG GLU 95 -6.035 3.706 -17.031 749 H LYS 96 H LYS 96 -4.578 2.065 -13.097 750 HA LYS 96 HA LYS 96 -4.568 -0.595 -12.464 751 1HB LYS 96 1HB LYS 96 -3.049 1.711 -11.215 752 2HB LYS 96 2HB LYS 96 -2.685 0.024 -10.915 753 1HG LYS 96 1HG LYS 96 -2.256 -0.361 -13.315 754 2HG LYS 96 2HG LYS 96 -2.755 1.274 -13.701 755 1HD LYS 96 1HD LYS 96 -0.878 2.159 -12.271 756 2HD LYS 96 2HD LYS 96 -0.363 0.514 -11.958 757 1HE LYS 96 1HE LYS 96 -0.716 1.272 -14.843 758 2HE LYS 96 2HE LYS 96 0.632 2.012 -14.003 759 1HZ LYS 96 1HZ LYS 96 1.270 -0.066 -14.966 760 2HZ LYS 96 2HZ LYS 96 1.340 -0.196 -13.340 761 3HZ LYS 96 3HZ LYS 96 0.100 -0.874 -14.161 762 H ALA 97 H ALA 97 -5.471 2.210 -10.360 763 HA ALA 97 HA ALA 97 -5.888 0.927 -8.013 764 1HB ALA 97 1HB ALA 97 -8.020 2.694 -8.164 765 2HB ALA 97 2HB ALA 97 -6.356 3.116 -7.693 766 3HB ALA 97 3HB ALA 97 -6.889 3.337 -9.377 767 H LEU 98 H LEU 98 -8.552 1.549 -10.413 768 HA LEU 98 HA LEU 98 -10.393 -0.112 -9.247 769 1HB LEU 98 1HB LEU 98 -10.027 1.277 -11.759 770 2HB LEU 98 2HB LEU 98 -10.826 -0.262 -12.011 771 HG LEU 98 HG LEU 98 -12.473 1.475 -11.732 772 1HD1 LEU 98 1HD1 LEU 98 -13.393 0.555 -9.343 773 2HD1 LEU 98 2HD1 LEU 98 -13.564 -0.300 -10.895 774 3HD1 LEU 98 3HD1 LEU 98 -12.241 -0.727 -9.783 775 1HD2 LEU 98 1HD2 LEU 98 -10.655 2.518 -9.825 776 2HD2 LEU 98 2HD2 LEU 98 -12.179 3.228 -10.409 777 3HD2 LEU 98 3HD2 LEU 98 -12.179 2.179 -8.970 778 H LYS 99 H LYS 99 -8.217 -0.932 -12.047 779 HA LYS 99 HA LYS 99 -8.840 -3.510 -12.393 780 1HB LYS 99 1HB LYS 99 -7.057 -2.026 -13.526 781 2HB LYS 99 2HB LYS 99 -5.955 -2.624 -12.301 782 1HG LYS 99 1HG LYS 99 -7.640 -4.595 -13.869 783 2HG LYS 99 2HG LYS 99 -6.207 -3.911 -14.610 784 1HD LYS 99 1HD LYS 99 -4.759 -5.025 -13.185 785 2HD LYS 99 2HD LYS 99 -5.852 -4.931 -11.819 786 1HE LYS 99 1HE LYS 99 -7.022 -6.863 -12.430 787 2HE LYS 99 2HE LYS 99 -6.702 -6.652 -14.140 788 1HZ LYS 99 1HZ LYS 99 -4.814 -7.779 -13.968 789 2HZ LYS 99 2HZ LYS 99 -4.350 -7.058 -12.579 790 3HZ LYS 99 3HZ LYS 99 -5.381 -8.324 -12.537 791 H TYR 100 H TYR 100 -7.241 -2.080 -9.576 792 HA TYR 100 HA TYR 100 -6.609 -4.721 -8.526 793 1HB TYR 100 1HB TYR 100 -5.881 -1.849 -8.186 794 2HB TYR 100 2HB TYR 100 -6.130 -2.635 -6.640 795 HD1 TYR 100 1HD TYR 100 -5.112 -5.400 -7.334 796 HD2 TYR 100 2HD TYR 100 -3.544 -1.512 -8.187 797 HE1 TYR 100 1HE TYR 100 -2.763 -6.365 -7.452 798 HE2 TYR 100 2HE TYR 100 -1.200 -2.491 -8.301 799 HH TYR 100 HH TYR 100 -0.118 -4.527 -8.663 800 H VAL 101 H VAL 101 -8.779 -1.907 -7.962 801 HA VAL 101 HA VAL 101 -9.822 -2.936 -5.537 802 HB VAL 101 HB VAL 101 -10.068 -0.607 -7.210 803 1HG1 VAL 101 1HG1 VAL 101 -12.476 -0.106 -6.628 804 2HG1 VAL 101 2HG1 VAL 101 -12.239 -1.340 -7.889 805 3HG1 VAL 101 3HG1 VAL 101 -12.664 -1.831 -6.232 806 1HG2 VAL 101 1HG2 VAL 101 -10.212 -1.379 -4.368 807 2HG2 VAL 101 2HG2 VAL 101 -9.459 0.037 -5.139 808 3HG2 VAL 101 3HG2 VAL 101 -11.207 0.033 -4.799 809 H ARG 102 H ARG 102 -10.386 -3.522 -8.961 810 HA ARG 102 HA ARG 102 -12.999 -4.507 -8.614 811 1HB ARG 102 1HB ARG 102 -10.947 -4.905 -10.849 812 2HB ARG 102 2HB ARG 102 -12.607 -5.456 -10.954 813 1HG ARG 102 1HG ARG 102 -11.797 -2.552 -10.460 814 2HG ARG 102 2HG ARG 102 -12.207 -3.202 -12.035 815 1HD ARG 102 1HD ARG 102 -14.259 -3.857 -10.023 816 2HD ARG 102 2HD ARG 102 -14.008 -2.127 -10.151 817 HE ARG 102 HE ARG 102 -14.135 -2.962 -12.799 818 1HH1 ARG 102 1HH1 ARG 102 -16.247 -3.303 -10.005 819 2HH1 ARG 102 2HH1 ARG 102 -17.698 -3.362 -10.950 820 1HH2 ARG 102 1HH2 ARG 102 -16.048 -3.039 -14.045 821 2HH2 ARG 102 2HH2 ARG 102 -17.584 -3.209 -13.263 822 H GLY 103 H GLY 103 -9.769 -6.077 -9.236 823 1HA GLY 103 1HA GLY 103 -10.638 -8.728 -9.022 824 2HA GLY 103 2HA GLY 103 -9.001 -8.142 -8.801 825 H LEU 104 H LEU 104 -9.876 -6.252 -6.574 826 HA LEU 104 HA LEU 104 -9.558 -8.150 -4.464 827 1HB LEU 104 1HB LEU 104 -8.412 -5.999 -4.480 828 2HB LEU 104 2HB LEU 104 -9.948 -5.154 -4.451 829 HG LEU 104 HG LEU 104 -8.604 -5.388 -2.262 830 1HD1 LEU 104 1HD1 LEU 104 -11.101 -6.190 -1.264 831 2HD1 LEU 104 2HD1 LEU 104 -10.524 -4.531 -1.549 832 3HD1 LEU 104 3HD1 LEU 104 -11.441 -5.383 -2.813 833 1HD2 LEU 104 1HD2 LEU 104 -8.694 -7.358 -1.027 834 2HD2 LEU 104 2HD2 LEU 104 -9.992 -8.049 -2.029 835 3HD2 LEU 104 3HD2 LEU 104 -8.340 -7.923 -2.678 836 H LEU 105 H LEU 105 -12.191 -6.097 -5.790 837 HA LEU 105 HA LEU 105 -13.994 -6.722 -3.691 838 1HB LEU 105 1HB LEU 105 -14.034 -5.265 -6.261 839 2HB LEU 105 2HB LEU 105 -15.570 -5.934 -5.748 840 HG LEU 105 HG LEU 105 -13.867 -4.167 -3.976 841 1HD1 LEU 105 1HD1 LEU 105 -14.609 -3.097 -6.176 842 2HD1 LEU 105 2HD1 LEU 105 -16.268 -3.222 -5.541 843 3HD1 LEU 105 3HD1 LEU 105 -15.050 -2.262 -4.666 844 1HD2 LEU 105 1HD2 LEU 105 -15.303 -5.077 -2.484 845 2HD2 LEU 105 2HD2 LEU 105 -16.392 -3.821 -3.119 846 3HD2 LEU 105 3HD2 LEU 105 -16.511 -5.491 -3.724 847 H GLN 106 H GLN 106 -13.009 -8.240 -6.741 848 HA GLN 106 HA GLN 106 -15.183 -9.796 -7.232 849 1HB GLN 106 1HB GLN 106 -12.529 -9.600 -8.157 850 2HB GLN 106 2HB GLN 106 -12.676 -11.267 -7.636 851 1HG GLN 106 1HG GLN 106 -15.088 -10.496 -9.070 852 2HG GLN 106 2HG GLN 106 -13.687 -10.090 -10.041 853 1HE2 GLN 106 1HE2 GLN 106 -12.618 -11.622 -11.088 854 2HE2 GLN 106 2HE2 GLN 106 -12.886 -13.328 -10.961 855 H THR 107 H THR 107 -12.348 -10.513 -5.084 856 HA THR 107 HA THR 107 -13.750 -12.872 -4.084 857 HB THR 107 HB THR 107 -11.335 -12.992 -4.781 858 HG1 THR 107 1HG THR 107 -12.211 -14.308 -3.006 859 1HG2 THR 107 1HG2 THR 107 -11.022 -10.519 -3.601 860 2HG2 THR 107 2HG2 THR 107 -10.496 -11.587 -2.278 861 3HG2 THR 107 3HG2 THR 107 -9.681 -11.661 -3.858 862 H GLU 108 H GLU 108 -13.746 -9.578 -3.478 863 HA GLU 108 HA GLU 108 -14.679 -10.130 -0.796 864 1HB GLU 108 1HB GLU 108 -12.759 -7.842 -1.403 865 2HB GLU 108 2HB GLU 108 -13.433 -8.247 0.163 866 1HG GLU 108 1HG GLU 108 -11.749 -10.221 -1.439 867 2HG GLU 108 2HG GLU 108 -11.033 -9.079 -0.320 868 HA PRO 109 HA PRO 109 -17.317 -7.330 -3.253 869 1HB PRO 109 1HB PRO 109 -19.578 -8.865 -3.321 870 2HB PRO 109 2HB PRO 109 -18.394 -8.845 -4.613 871 1HG PRO 109 1HG PRO 109 -18.867 -10.922 -2.561 872 2HG PRO 109 2HG PRO 109 -18.009 -11.057 -4.084 873 1HD PRO 109 1HD PRO 109 -16.844 -10.853 -1.470 874 2HD PRO 109 2HD PRO 109 -15.990 -10.872 -2.999 875 H GLN 110 H GLN 110 -17.563 -8.976 -0.278 876 HA GLN 110 HA GLN 110 -19.754 -7.368 0.591 877 1HB GLN 110 1HB GLN 110 -17.936 -9.078 2.330 878 2HB GLN 110 2HB GLN 110 -19.586 -8.592 2.664 879 1HG GLN 110 1HG GLN 110 -19.779 -9.884 0.173 880 2HG GLN 110 2HG GLN 110 -18.592 -10.842 1.036 881 1HE2 GLN 110 1HE2 GLN 110 -21.765 -10.538 0.393 882 2HE2 GLN 110 2HE2 GLN 110 -22.482 -11.301 1.774 883 H ASN 111 H ASN 111 -16.204 -7.325 0.712 884 HA ASN 111 HA ASN 111 -15.806 -5.686 2.845 885 1HB ASN 111 1HB ASN 111 -14.023 -6.803 1.426 886 2HB ASN 111 2HB ASN 111 -14.311 -5.615 0.170 887 1HD2 ASN 111 1HD2 ASN 111 -11.982 -5.281 0.544 888 2HD2 ASN 111 2HD2 ASN 111 -11.476 -4.131 1.735 889 H ASN 112 H ASN 112 -16.910 -3.739 3.184 890 HA ASN 112 HA ASN 112 -17.972 -2.265 1.067 891 1HB ASN 112 1HB ASN 112 -17.390 -1.147 3.845 892 2HB ASN 112 2HB ASN 112 -18.712 -0.721 2.776 893 1HD2 ASN 112 1HD2 ASN 112 -17.499 -2.913 5.135 894 2HD2 ASN 112 2HD2 ASN 112 -18.906 -3.904 5.334 895 H GLN 113 H GLN 113 -15.024 -2.041 3.132 896 HA GLN 113 HA GLN 113 -14.138 0.420 2.671 897 1HB GLN 113 1HB GLN 113 -12.681 -2.228 2.824 898 2HB GLN 113 2HB GLN 113 -11.770 -0.754 2.558 899 1HG GLN 113 1HG GLN 113 -12.403 0.175 4.651 900 2HG GLN 113 2HG GLN 113 -13.808 -0.861 4.800 901 1HE2 GLN 113 1HE2 GLN 113 -13.361 -3.234 4.904 902 2HE2 GLN 113 2HE2 GLN 113 -12.023 -3.774 5.864 903 H ALA 114 H ALA 114 -14.135 -2.312 0.349 904 HA ALA 114 HA ALA 114 -12.625 -0.851 -1.603 905 1HB ALA 114 1HB ALA 114 -12.888 -3.452 -1.146 906 2HB ALA 114 2HB ALA 114 -14.288 -3.277 -2.232 907 3HB ALA 114 3HB ALA 114 -12.660 -2.836 -2.801 908 H LYS 115 H LYS 115 -16.075 -1.839 -1.103 909 HA LYS 115 HA LYS 115 -17.224 -0.991 -3.365 910 1HB LYS 115 1HB LYS 115 -18.073 -0.994 -0.502 911 2HB LYS 115 2HB LYS 115 -19.087 -0.135 -1.644 912 1HG LYS 115 1HG LYS 115 -18.960 -2.272 -3.121 913 2HG LYS 115 2HG LYS 115 -18.289 -3.073 -1.714 914 1HD LYS 115 1HD LYS 115 -20.286 -2.947 -0.504 915 2HD LYS 115 2HD LYS 115 -20.814 -1.484 -1.312 916 1HE LYS 115 1HE LYS 115 -21.288 -2.775 -3.387 917 2HE LYS 115 2HE LYS 115 -20.701 -4.242 -2.629 918 1HZ LYS 115 1HZ LYS 115 -22.933 -2.658 -1.565 919 2HZ LYS 115 2HZ LYS 115 -23.124 -3.949 -2.545 920 3HZ LYS 115 3HZ LYS 115 -22.457 -4.138 -1.067 921 H GLU 116 H GLU 116 -16.777 1.211 -0.501 922 HA GLU 116 HA GLU 116 -17.528 3.494 -1.706 923 1HB GLU 116 1HB GLU 116 -15.751 2.774 0.562 924 2HB GLU 116 2HB GLU 116 -15.457 4.372 -0.095 925 1HG GLU 116 1HG GLU 116 -18.330 3.907 0.122 926 2HG GLU 116 2HG GLU 116 -17.559 3.583 1.661 927 H LEU 117 H LEU 117 -14.104 2.270 -1.492 928 HA LEU 117 HA LEU 117 -12.788 4.148 -2.853 929 1HB LEU 117 1HB LEU 117 -12.425 1.406 -2.216 930 2HB LEU 117 2HB LEU 117 -11.938 1.619 -3.886 931 HG LEU 117 HG LEU 117 -10.771 2.821 -1.396 932 1HD1 LEU 117 1HD1 LEU 117 -10.036 0.767 -3.148 933 2HD1 LEU 117 2HD1 LEU 117 -8.942 2.119 -3.527 934 3HD1 LEU 117 3HD1 LEU 117 -9.049 1.500 -1.861 935 1HD2 LEU 117 1HD2 LEU 117 -9.420 4.122 -3.409 936 2HD2 LEU 117 2HD2 LEU 117 -11.114 4.219 -3.948 937 3HD2 LEU 117 3HD2 LEU 117 -10.653 4.839 -2.344 938 H GLU 118 H GLU 118 -14.380 1.320 -4.501 939 HA GLU 118 HA GLU 118 -13.957 1.924 -7.026 940 1HB GLU 118 1HB GLU 118 -15.386 0.045 -6.068 941 2HB GLU 118 2HB GLU 118 -16.726 1.172 -6.000 942 1HG GLU 118 1HG GLU 118 -15.252 0.952 -8.615 943 2HG GLU 118 2HG GLU 118 -16.263 -0.404 -8.153 944 H ARG 119 H ARG 119 -16.770 3.283 -5.153 945 HA ARG 119 HA ARG 119 -17.549 4.975 -7.200 946 1HB ARG 119 1HB ARG 119 -18.105 4.709 -4.258 947 2HB ARG 119 2HB ARG 119 -18.510 6.255 -4.978 948 1HG ARG 119 1HG ARG 119 -19.506 4.435 -6.852 949 2HG ARG 119 2HG ARG 119 -19.811 3.619 -5.331 950 1HD ARG 119 1HD ARG 119 -21.659 4.932 -5.123 951 2HD ARG 119 2HD ARG 119 -20.573 6.266 -4.789 952 HE ARG 119 HE ARG 119 -20.777 5.886 -7.637 953 1HH1 ARG 119 1HH1 ARG 119 -22.617 7.095 -4.891 954 2HH1 ARG 119 2HH1 ARG 119 -23.560 8.192 -5.842 955 1HH2 ARG 119 1HH2 ARG 119 -22.021 7.334 -8.892 956 2HH2 ARG 119 2HH2 ARG 119 -23.219 8.330 -8.134 957 H LEU 120 H LEU 120 -15.353 5.388 -4.370 958 HA LEU 120 HA LEU 120 -15.009 8.121 -4.487 959 1HB LEU 120 1HB LEU 120 -13.079 5.937 -3.696 960 2HB LEU 120 2HB LEU 120 -12.816 7.645 -3.402 961 HG LEU 120 HG LEU 120 -15.270 6.233 -2.358 962 1HD1 LEU 120 1HD1 LEU 120 -13.738 6.327 -0.158 963 2HD1 LEU 120 2HD1 LEU 120 -13.824 4.907 -1.227 964 3HD1 LEU 120 3HD1 LEU 120 -12.472 6.054 -1.378 965 1HD2 LEU 120 1HD2 LEU 120 -13.805 8.742 -1.496 966 2HD2 LEU 120 2HD2 LEU 120 -15.364 8.657 -2.353 967 3HD2 LEU 120 3HD2 LEU 120 -15.229 8.044 -0.688 968 H ILE 121 H ILE 121 -13.075 5.520 -6.127 969 HA ILE 121 HA ILE 121 -11.512 7.386 -7.559 970 HB ILE 121 HB ILE 121 -12.031 4.445 -8.014 971 1HG1 ILE 121 1HG1 ILE 121 -9.438 5.220 -6.924 972 2HG1 ILE 121 2HG1 ILE 121 -10.755 5.711 -5.877 973 1HG2 ILE 121 1HG2 ILE 121 -10.537 6.409 -9.557 974 2HG2 ILE 121 2HG2 ILE 121 -9.506 5.075 -8.986 975 3HG2 ILE 121 3HG2 ILE 121 -10.964 4.726 -9.946 976 1HD1 ILE 121 1HD1 ILE 121 -11.625 3.452 -5.754 977 2HD1 ILE 121 2HD1 ILE 121 -10.533 2.903 -7.048 978 3HD1 ILE 121 3HD1 ILE 121 -9.872 3.358 -5.459 979 H ASP 122 H ASP 122 -14.672 5.853 -8.060 980 HA ASP 122 HA ASP 122 -14.868 6.159 -10.773 981 1HB ASP 122 1HB ASP 122 -16.485 5.013 -9.135 982 2HB ASP 122 2HB ASP 122 -17.122 6.603 -8.764 983 H LYS 123 H LYS 123 -15.695 8.396 -8.034 984 HA LYS 123 HA LYS 123 -16.653 10.463 -9.708 985 1HB LYS 123 1HB LYS 123 -15.835 10.305 -6.804 986 2HB LYS 123 2HB LYS 123 -16.329 11.815 -7.542 987 1HG LYS 123 1HG LYS 123 -18.240 9.797 -8.320 988 2HG LYS 123 2HG LYS 123 -17.996 9.659 -6.590 989 1HD LYS 123 1HD LYS 123 -18.471 12.365 -7.898 990 2HD LYS 123 2HD LYS 123 -19.812 11.331 -7.447 991 1HE LYS 123 1HE LYS 123 -18.309 11.261 -5.130 992 2HE LYS 123 2HE LYS 123 -17.938 12.873 -5.709 993 1HZ LYS 123 1HZ LYS 123 -20.587 12.704 -6.071 994 2HZ LYS 123 2HZ LYS 123 -20.392 11.850 -4.694 995 3HZ LYS 123 3HZ LYS 123 -19.864 13.393 -4.779 996 H ALA 124 H ALA 124 -13.488 9.741 -8.127 997 HA ALA 124 HA ALA 124 -12.165 12.058 -8.708 998 1HB ALA 124 1HB ALA 124 -10.510 9.697 -9.169 999 2HB ALA 124 2HB ALA 124 -10.458 10.875 -7.836 1000 3HB ALA 124 3HB ALA 124 -11.568 9.486 -7.754 1001 H MET 125 H MET 125 -12.846 9.229 -10.837 1002 HA MET 125 HA MET 125 -11.261 10.059 -12.944 1003 1HB MET 125 1HB MET 125 -13.872 8.447 -12.871 1004 2HB MET 125 2HB MET 125 -12.841 8.544 -14.284 1005 1HG MET 125 1HG MET 125 -11.194 7.849 -12.001 1006 2HG MET 125 2HG MET 125 -12.584 6.781 -12.025 1007 1HE MET 125 1HE MET 125 -11.788 4.880 -12.351 1008 2HE MET 125 2HE MET 125 -12.329 4.402 -13.978 1009 3HE MET 125 3HE MET 125 -10.610 4.273 -13.539 1010 H LYS 126 H LYS 126 -14.695 10.779 -12.103 1011 HA LYS 126 HA LYS 126 -14.914 12.452 -14.470 1012 1HB LYS 126 1HB LYS 126 -16.755 11.011 -12.710 1013 2HB LYS 126 2HB LYS 126 -17.280 12.653 -13.024 1014 1HG LYS 126 1HG LYS 126 -16.262 11.395 -15.471 1015 2HG LYS 126 2HG LYS 126 -17.536 10.428 -14.755 1016 1HD LYS 126 1HD LYS 126 -19.027 11.855 -15.696 1017 2HD LYS 126 2HD LYS 126 -18.509 13.058 -14.532 1018 1HE LYS 126 1HE LYS 126 -16.501 13.341 -16.355 1019 2HE LYS 126 2HE LYS 126 -17.765 12.770 -17.427 1020 1HZ LYS 126 1HZ LYS 126 -19.128 14.550 -16.821 1021 2HZ LYS 126 2HZ LYS 126 -18.208 14.966 -15.537 1022 3HZ LYS 126 3HZ LYS 126 -17.654 15.215 -17.053 1023 H LYS 127 H LYS 127 -13.028 13.050 -12.198 1024 HA LYS 127 HA LYS 127 -14.243 15.596 -11.378 1025 1HB LYS 127 1HB LYS 127 -12.542 13.620 -9.909 1026 2HB LYS 127 2HB LYS 127 -12.330 15.322 -9.548 1027 1HG LYS 127 1HG LYS 127 -14.647 15.584 -8.913 1028 2HG LYS 127 2HG LYS 127 -15.091 14.038 -9.609 1029 1HD LYS 127 1HD LYS 127 -14.274 12.825 -7.809 1030 2HD LYS 127 2HD LYS 127 -12.964 13.948 -7.503 1031 1HE LYS 127 1HE LYS 127 -15.074 15.566 -6.883 1032 2HE LYS 127 2HE LYS 127 -15.795 14.012 -6.509 1033 1HZ LYS 127 1HZ LYS 127 -14.668 14.078 -4.636 1034 2HZ LYS 127 2HZ LYS 127 -13.263 13.954 -5.461 1035 3HZ LYS 127 3HZ LYS 127 -13.854 15.426 -5.071 1036 H SER 128 H SER 128 -10.937 14.122 -11.735 1037 HA SER 128 HA SER 128 -9.107 14.892 -12.613 1038 1HB SER 128 1HB SER 128 -10.691 14.783 -14.673 1039 2HB SER 128 2HB SER 128 -10.759 16.531 -14.568 1040 HG SER 128 HG SER 128 -9.087 15.978 -16.008 1041 H GLY 129 H GLY 129 -8.147 16.197 -11.043 1042 1HA GLY 129 1HA GLY 129 -8.511 19.087 -11.378 1043 2HA GLY 129 2HA GLY 129 -8.816 18.392 -9.799 1044 HA PRO 130 HA PRO 130 -4.393 19.244 -9.861 1045 1HB PRO 130 1HB PRO 130 -4.246 20.432 -7.404 1046 2HB PRO 130 2HB PRO 130 -4.473 21.331 -8.892 1047 1HG PRO 130 1HG PRO 130 -6.452 20.696 -6.791 1048 2HG PRO 130 2HG PRO 130 -6.534 21.920 -8.041 1049 1HD PRO 130 1HD PRO 130 -7.909 19.403 -8.011 1050 2HD PRO 130 2HD PRO 130 -7.899 20.576 -9.314 1051 H SER 131 H SER 131 -3.020 17.615 -9.566 1052 HA SER 131 HA SER 131 -3.719 15.413 -8.180 1053 1HB SER 131 1HB SER 131 -1.267 14.866 -8.150 1054 2HB SER 131 2HB SER 131 -1.840 15.412 -9.714 1055 HG SER 131 HG SER 131 -1.115 17.660 -8.677 1056 H SER 132 H SER 132 -2.579 18.503 -6.950 1057 HA SER 132 HA SER 132 -3.043 17.592 -4.299 1058 1HB SER 132 1HB SER 132 -0.763 18.390 -3.475 1059 2HB SER 132 2HB SER 132 -0.759 16.876 -4.356 1060 HG SER 132 HG SER 132 0.934 18.145 -5.174 1061 H GLY 133 H GLY 133 -4.700 19.238 -4.453 1062 1HA GLY 133 1HA GLY 133 -4.210 21.887 -5.263 1063 2HA GLY 133 2HA GLY 133 -5.553 21.312 -4.295 Start of MODEL 20 1 H GLY 1 H GLY 1 -18.785 5.894 20.413 2 1HA GLY 1 1HA GLY 1 -21.238 5.392 19.614 3 2HA GLY 1 2HA GLY 1 -20.740 6.450 18.309 4 H SER 2 H SER 2 -21.369 3.458 18.421 5 HA SER 2 HA SER 2 -18.787 2.539 17.425 6 1HB SER 2 1HB SER 2 -21.069 1.065 18.783 7 2HB SER 2 2HB SER 2 -19.876 0.202 17.833 8 HG SER 2 HG SER 2 -18.283 1.531 19.285 9 H SER 3 H SER 3 -18.801 2.728 15.204 10 HA SER 3 HA SER 3 -20.456 1.172 13.675 11 1HB SER 3 1HB SER 3 -22.015 3.200 14.515 12 2HB SER 3 2HB SER 3 -21.263 4.026 13.164 13 HG SER 3 HG SER 3 -23.249 2.129 13.142 14 H GLY 4 H GLY 4 -18.808 0.703 12.252 15 1HA GLY 4 1HA GLY 4 -17.147 0.980 10.765 16 2HA GLY 4 2HA GLY 4 -17.969 2.451 10.282 17 H SER 5 H SER 5 -15.820 1.178 12.923 18 HA SER 5 HA SER 5 -15.013 3.431 14.055 19 1HB SER 5 1HB SER 5 -14.085 0.791 13.937 20 2HB SER 5 2HB SER 5 -12.694 1.723 13.421 21 HG SER 5 HG SER 5 -12.384 2.027 15.520 22 H SER 6 H SER 6 -13.596 2.018 11.020 23 HA SER 6 HA SER 6 -12.800 4.722 10.323 24 1HB SER 6 1HB SER 6 -11.036 2.257 10.398 25 2HB SER 6 2HB SER 6 -10.681 3.562 9.284 26 HG SER 6 HG SER 6 -11.012 4.895 11.467 27 H GLY 7 H GLY 7 -14.337 4.976 8.681 28 1HA GLY 7 1HA GLY 7 -15.149 2.903 6.944 29 2HA GLY 7 2HA GLY 7 -15.430 4.621 6.747 30 H MET 8 H MET 8 -14.876 4.984 4.609 31 HA MET 8 HA MET 8 -12.225 4.049 3.832 32 1HB MET 8 1HB MET 8 -14.067 3.150 2.435 33 2HB MET 8 2HB MET 8 -14.721 4.759 2.195 34 1HG MET 8 1HG MET 8 -13.513 4.618 0.228 35 2HG MET 8 2HG MET 8 -12.221 5.215 1.251 36 1HE MET 8 1HE MET 8 -10.018 3.679 1.900 37 2HE MET 8 2HE MET 8 -9.628 2.831 0.385 38 3HE MET 8 3HE MET 8 -10.275 4.489 0.337 39 H GLU 9 H GLU 9 -14.576 6.789 3.416 40 HA GLU 9 HA GLU 9 -12.766 8.502 2.236 41 1HB GLU 9 1HB GLU 9 -15.456 8.567 2.897 42 2HB GLU 9 2HB GLU 9 -14.799 9.778 3.981 43 1HG GLU 9 1HG GLU 9 -13.636 10.850 1.996 44 2HG GLU 9 2HG GLU 9 -14.434 9.694 0.949 45 H ALA 10 H ALA 10 -12.865 7.265 5.441 46 HA ALA 10 HA ALA 10 -11.537 9.593 6.576 47 1HB ALA 10 1HB ALA 10 -13.412 8.126 7.673 48 2HB ALA 10 2HB ALA 10 -12.083 6.989 8.005 49 3HB ALA 10 3HB ALA 10 -12.023 8.642 8.660 50 H VAL 11 H VAL 11 -10.972 6.156 5.666 51 HA VAL 11 HA VAL 11 -8.407 5.950 6.733 52 HB VAL 11 HB VAL 11 -9.992 4.563 4.611 53 1HG1 VAL 11 1HG1 VAL 11 -8.079 2.945 4.335 54 2HG1 VAL 11 2HG1 VAL 11 -7.821 4.544 3.596 55 3HG1 VAL 11 3HG1 VAL 11 -7.035 4.141 5.142 56 1HG2 VAL 11 1HG2 VAL 11 -9.453 2.606 6.166 57 2HG2 VAL 11 2HG2 VAL 11 -8.804 3.820 7.293 58 3HG2 VAL 11 3HG2 VAL 11 -10.517 3.878 6.813 59 H LEU 12 H LEU 12 -9.648 7.276 3.640 60 HA LEU 12 HA LEU 12 -7.003 7.639 2.596 61 1HB LEU 12 1HB LEU 12 -9.795 8.176 1.703 62 2HB LEU 12 2HB LEU 12 -8.503 9.098 0.960 63 HG LEU 12 HG LEU 12 -8.814 6.086 0.974 64 1HD1 LEU 12 1HD1 LEU 12 -8.542 7.455 -1.593 65 2HD1 LEU 12 2HD1 LEU 12 -9.735 6.251 -1.050 66 3HD1 LEU 12 3HD1 LEU 12 -9.973 7.975 -0.673 67 1HD2 LEU 12 1HD2 LEU 12 -6.498 6.367 1.140 68 2HD2 LEU 12 2HD2 LEU 12 -6.798 6.208 -0.608 69 3HD2 LEU 12 3HD2 LEU 12 -6.503 7.813 0.101 70 H ASN 13 H ASN 13 -9.504 9.588 4.276 71 HA ASN 13 HA ASN 13 -8.260 12.033 3.873 72 1HB ASN 13 1HB ASN 13 -10.407 10.913 5.594 73 2HB ASN 13 2HB ASN 13 -9.563 12.250 6.349 74 1HD2 ASN 13 1HD2 ASN 13 -10.346 11.509 2.957 75 2HD2 ASN 13 2HD2 ASN 13 -11.229 12.959 2.611 76 H GLU 14 H GLU 14 -7.968 9.434 6.347 77 HA GLU 14 HA GLU 14 -6.250 10.996 7.993 78 1HB GLU 14 1HB GLU 14 -7.368 9.489 9.329 79 2HB GLU 14 2HB GLU 14 -7.476 8.277 8.067 80 1HG GLU 14 1HG GLU 14 -5.391 7.362 8.559 81 2HG GLU 14 2HG GLU 14 -4.723 8.888 9.103 82 H LEU 15 H LEU 15 -4.017 11.069 7.975 83 HA LEU 15 HA LEU 15 -2.704 9.241 6.084 84 1HB LEU 15 1HB LEU 15 -1.036 11.069 5.791 85 2HB LEU 15 2HB LEU 15 -2.626 11.379 5.126 86 HG LEU 15 HG LEU 15 -3.054 12.631 7.385 87 1HD1 LEU 15 1HD1 LEU 15 -0.033 12.511 7.299 88 2HD1 LEU 15 2HD1 LEU 15 -0.951 13.723 8.224 89 3HD1 LEU 15 3HD1 LEU 15 -1.117 11.994 8.613 90 1HD2 LEU 15 1HD2 LEU 15 -1.541 14.588 6.222 91 2HD2 LEU 15 2HD2 LEU 15 -1.783 13.461 4.866 92 3HD2 LEU 15 3HD2 LEU 15 -3.188 14.132 5.728 93 H VAL 16 H VAL 16 -0.160 9.257 6.677 94 HA VAL 16 HA VAL 16 -0.119 8.334 9.431 95 HB VAL 16 HB VAL 16 1.001 7.492 6.992 96 1HG1 VAL 16 1HG1 VAL 16 3.228 8.097 8.955 97 2HG1 VAL 16 2HG1 VAL 16 3.357 7.462 7.297 98 3HG1 VAL 16 3HG1 VAL 16 2.847 9.146 7.568 99 1HG2 VAL 16 1HG2 VAL 16 1.379 6.559 9.854 100 2HG2 VAL 16 2HG2 VAL 16 0.190 5.974 8.666 101 3HG2 VAL 16 3HG2 VAL 16 1.923 5.646 8.427 102 H SER 17 H SER 17 2.215 8.768 10.505 103 HA SER 17 HA SER 17 2.664 11.632 10.182 104 1HB SER 17 1HB SER 17 3.029 10.089 12.777 105 2HB SER 17 2HB SER 17 3.015 11.828 12.564 106 HG SER 17 HG SER 17 0.985 11.129 13.395 107 H VAL 18 H VAL 18 4.885 12.373 10.434 108 HA VAL 18 HA VAL 18 6.791 10.796 9.272 109 HB VAL 18 HB VAL 18 7.139 13.072 11.235 110 1HG1 VAL 18 1HG1 VAL 18 9.110 12.554 9.056 111 2HG1 VAL 18 2HG1 VAL 18 9.350 13.218 10.690 112 3HG1 VAL 18 3HG1 VAL 18 9.142 11.465 10.464 113 1HG2 VAL 18 1HG2 VAL 18 7.381 14.419 9.100 114 2HG2 VAL 18 2HG2 VAL 18 6.742 13.004 8.231 115 3HG2 VAL 18 3HG2 VAL 18 5.743 13.822 9.456 116 H GLU 19 H GLU 19 6.090 11.282 12.786 117 HA GLU 19 HA GLU 19 8.214 9.836 13.738 118 1HB GLU 19 1HB GLU 19 6.109 11.208 14.845 119 2HB GLU 19 2HB GLU 19 5.645 9.562 15.229 120 1HG GLU 19 1HG GLU 19 8.426 9.693 15.794 121 2HG GLU 19 2HG GLU 19 7.769 11.200 16.400 122 H ASP 20 H ASP 20 4.825 8.724 13.033 123 HA ASP 20 HA ASP 20 5.231 6.107 13.738 124 1HB ASP 20 1HB ASP 20 3.148 7.632 12.709 125 2HB ASP 20 2HB ASP 20 3.478 6.547 11.375 126 H LEU 21 H LEU 21 5.312 7.702 10.458 127 HA LEU 21 HA LEU 21 5.970 5.548 8.929 128 1HB LEU 21 1HB LEU 21 5.398 7.844 8.174 129 2HB LEU 21 2HB LEU 21 7.013 8.365 8.613 130 HG LEU 21 HG LEU 21 6.442 7.764 6.138 131 1HD1 LEU 21 1HD1 LEU 21 8.706 8.282 7.284 132 2HD1 LEU 21 2HD1 LEU 21 8.986 6.528 7.162 133 3HD1 LEU 21 3HD1 LEU 21 8.702 7.488 5.690 134 1HD2 LEU 21 1HD2 LEU 21 7.268 5.001 7.015 135 2HD2 LEU 21 2HD2 LEU 21 5.556 5.471 6.894 136 3HD2 LEU 21 3HD2 LEU 21 6.601 5.537 5.453 137 H LYS 22 H LYS 22 8.153 7.635 10.904 138 HA LYS 22 HA LYS 22 10.505 6.325 10.058 139 1HB LYS 22 1HB LYS 22 9.759 8.270 12.210 140 2HB LYS 22 2HB LYS 22 11.298 7.441 12.332 141 1HG LYS 22 1HG LYS 22 10.753 8.456 9.604 142 2HG LYS 22 2HG LYS 22 10.794 9.729 10.808 143 1HD LYS 22 1HD LYS 22 12.975 7.621 10.777 144 2HD LYS 22 2HD LYS 22 13.040 8.953 9.641 145 1HE LYS 22 1HE LYS 22 12.444 9.815 12.417 146 2HE LYS 22 2HE LYS 22 13.996 9.015 12.260 147 1HZ LYS 22 1HZ LYS 22 13.062 11.414 10.878 148 2HZ LYS 22 2HZ LYS 22 14.414 11.214 11.772 149 3HZ LYS 22 3HZ LYS 22 14.311 10.545 10.285 150 H ASN 23 H ASN 23 8.500 6.081 13.077 151 HA ASN 23 HA ASN 23 9.875 4.261 14.423 152 1HB ASN 23 1HB ASN 23 7.089 5.077 14.244 153 2HB ASN 23 2HB ASN 23 7.142 3.342 14.488 154 1HD2 ASN 23 1HD2 ASN 23 6.247 5.420 16.285 155 2HD2 ASN 23 2HD2 ASN 23 7.191 5.314 17.733 156 H PHE 24 H PHE 24 8.038 3.814 11.403 157 HA PHE 24 HA PHE 24 8.323 0.925 11.553 158 1HB PHE 24 1HB PHE 24 6.919 3.002 9.807 159 2HB PHE 24 2HB PHE 24 7.113 1.373 9.192 160 HD1 PHE 24 1HD PHE 24 5.057 0.330 9.252 161 HD2 PHE 24 2HD PHE 24 6.256 2.647 12.598 162 HE1 PHE 24 1HE PHE 24 2.991 -0.382 10.485 163 HE2 PHE 24 2HE PHE 24 4.190 1.936 13.831 164 HZ PHE 24 HZ PHE 24 2.581 0.430 12.760 165 H GLU 25 H GLU 25 9.096 3.635 9.250 166 HA GLU 25 HA GLU 25 10.458 2.284 7.405 167 1HB GLU 25 1HB GLU 25 10.004 4.845 7.696 168 2HB GLU 25 2HB GLU 25 11.567 4.894 8.487 169 1HG GLU 25 1HG GLU 25 12.732 4.229 6.524 170 2HG GLU 25 2HG GLU 25 11.300 3.541 5.786 171 H ARG 26 H ARG 26 11.419 2.828 10.753 172 HA ARG 26 HA ARG 26 14.148 2.242 10.276 173 1HB ARG 26 1HB ARG 26 13.996 3.484 12.228 174 2HB ARG 26 2HB ARG 26 12.406 2.863 12.625 175 1HG ARG 26 1HG ARG 26 13.321 0.806 13.515 176 2HG ARG 26 2HG ARG 26 14.903 1.129 12.832 177 1HD ARG 26 1HD ARG 26 15.520 2.434 14.604 178 2HD ARG 26 2HD ARG 26 14.013 3.330 14.577 179 HE ARG 26 HE ARG 26 14.649 1.140 16.333 180 1HH1 ARG 26 1HH1 ARG 26 11.969 2.496 14.500 181 2HH1 ARG 26 2HH1 ARG 26 10.755 1.857 15.557 182 1HH2 ARG 26 1HH2 ARG 26 13.047 0.295 17.729 183 2HH2 ARG 26 2HH2 ARG 26 11.372 0.597 17.406 184 H LYS 27 H LYS 27 11.329 0.530 11.807 185 HA LYS 27 HA LYS 27 12.615 -1.807 12.475 186 1HB LYS 27 1HB LYS 27 9.988 -0.801 12.473 187 2HB LYS 27 2HB LYS 27 9.907 -2.286 11.547 188 1HG LYS 27 1HG LYS 27 9.782 -3.304 13.591 189 2HG LYS 27 2HG LYS 27 11.522 -3.095 13.620 190 1HD LYS 27 1HD LYS 27 11.135 -0.809 14.713 191 2HD LYS 27 2HD LYS 27 9.439 -1.232 14.848 192 1HE LYS 27 1HE LYS 27 11.195 -3.381 15.853 193 2HE LYS 27 2HE LYS 27 11.461 -1.868 16.696 194 1HZ LYS 27 1HZ LYS 27 8.883 -3.233 16.352 195 2HZ LYS 27 2HZ LYS 27 9.717 -3.054 17.744 196 3HZ LYS 27 3HZ LYS 27 9.047 -1.753 17.022 197 H PHE 28 H PHE 28 10.938 -0.941 9.377 198 HA PHE 28 HA PHE 28 11.472 -3.373 8.124 199 1HB PHE 28 1HB PHE 28 9.819 -1.602 7.412 200 2HB PHE 28 2HB PHE 28 11.136 -0.492 7.090 201 HD1 PHE 28 1HD PHE 28 11.414 -0.131 4.840 202 HD2 PHE 28 2HD PHE 28 10.440 -4.048 6.154 203 HE1 PHE 28 1HE PHE 28 11.528 -0.954 2.472 204 HE2 PHE 28 2HE PHE 28 10.555 -4.871 3.785 205 HZ PHE 28 HZ PHE 28 11.097 -3.315 1.972 206 H GLN 29 H GLN 29 13.032 -0.160 7.420 207 HA GLN 29 HA GLN 29 15.016 -1.090 5.863 208 1HB GLN 29 1HB GLN 29 15.025 1.215 7.853 209 2HB GLN 29 2HB GLN 29 16.330 0.952 6.714 210 1HG GLN 29 1HG GLN 29 14.603 0.997 4.836 211 2HG GLN 29 2HG GLN 29 13.397 1.448 6.025 212 1HE2 GLN 29 1HE2 GLN 29 13.675 3.134 4.054 213 2HE2 GLN 29 2HE2 GLN 29 14.531 4.575 4.488 214 H SER 30 H SER 30 15.082 -0.731 9.474 215 HA SER 30 HA SER 30 17.644 -1.474 9.906 216 1HB SER 30 1HB SER 30 16.189 -0.687 11.697 217 2HB SER 30 2HB SER 30 15.142 -2.083 11.534 218 HG SER 30 HG SER 30 17.826 -1.963 12.573 219 H GLU 31 H GLU 31 14.808 -3.493 9.094 220 HA GLU 31 HA GLU 31 16.345 -5.889 9.534 221 1HB GLU 31 1HB GLU 31 13.470 -5.454 8.611 222 2HB GLU 31 2HB GLU 31 14.191 -7.031 8.860 223 1HG GLU 31 1HG GLU 31 14.128 -4.905 11.045 224 2HG GLU 31 2HG GLU 31 12.831 -6.063 10.828 225 H GLN 32 H GLN 32 15.456 -3.670 6.973 226 HA GLN 32 HA GLN 32 15.721 -5.537 4.873 227 1HB GLN 32 1HB GLN 32 14.574 -3.116 5.021 228 2HB GLN 32 2HB GLN 32 16.140 -2.586 4.442 229 1HG GLN 32 1HG GLN 32 15.980 -4.078 2.487 230 2HG GLN 32 2HG GLN 32 14.491 -4.775 3.093 231 1HE2 GLN 32 1HE2 GLN 32 13.889 -4.060 0.861 232 2HE2 GLN 32 2HE2 GLN 32 13.205 -2.480 0.667 233 H ALA 33 H ALA 33 17.799 -2.763 5.992 234 HA ALA 33 HA ALA 33 19.966 -3.494 4.350 235 1HB ALA 33 1HB ALA 33 19.877 -1.244 5.031 236 2HB ALA 33 2HB ALA 33 19.557 -1.672 6.729 237 3HB ALA 33 3HB ALA 33 21.178 -1.923 6.038 238 H ALA 34 H ALA 34 18.631 -4.914 7.174 239 HA ALA 34 HA ALA 34 21.028 -5.769 8.410 240 1HB ALA 34 1HB ALA 34 18.183 -5.935 8.815 241 2HB ALA 34 2HB ALA 34 18.878 -7.568 8.953 242 3HB ALA 34 3HB ALA 34 19.494 -6.248 9.976 243 H GLY 35 H GLY 35 19.154 -6.801 5.611 244 1HA GLY 35 1HA GLY 35 20.635 -8.177 4.117 245 2HA GLY 35 2HA GLY 35 20.751 -9.286 5.469 246 H SER 36 H SER 36 17.790 -8.380 6.148 247 HA SER 36 HA SER 36 16.166 -9.116 4.072 248 1HB SER 36 1HB SER 36 15.515 -11.452 4.791 249 2HB SER 36 2HB SER 36 17.114 -11.336 4.084 250 HG SER 36 HG SER 36 16.373 -12.134 6.628 251 H VAL 37 H VAL 37 13.948 -8.929 4.712 252 HA VAL 37 HA VAL 37 13.470 -8.718 7.588 253 HB VAL 37 HB VAL 37 13.862 -6.476 7.011 254 1HG1 VAL 37 1HG1 VAL 37 13.058 -7.266 4.406 255 2HG1 VAL 37 2HG1 VAL 37 11.980 -5.941 4.905 256 3HG1 VAL 37 3HG1 VAL 37 13.745 -5.707 4.922 257 1HG2 VAL 37 1HG2 VAL 37 10.859 -6.688 6.714 258 2HG2 VAL 37 2HG2 VAL 37 11.692 -7.043 8.246 259 3HG2 VAL 37 3HG2 VAL 37 11.810 -5.421 7.523 260 H SER 38 H SER 38 11.239 -9.098 8.188 261 HA SER 38 HA SER 38 10.051 -11.011 6.516 262 1HB SER 38 1HB SER 38 9.201 -9.634 9.087 263 2HB SER 38 2HB SER 38 8.140 -10.769 8.277 264 HG SER 38 HG SER 38 10.561 -11.950 8.399 265 H LYS 39 H LYS 39 7.642 -10.875 5.858 266 HA LYS 39 HA LYS 39 7.310 -8.565 4.253 267 1HB LYS 39 1HB LYS 39 5.801 -9.820 3.156 268 2HB LYS 39 2HB LYS 39 6.478 -11.140 4.088 269 1HG LYS 39 1HG LYS 39 4.722 -10.581 5.904 270 2HG LYS 39 2HG LYS 39 3.968 -9.531 4.721 271 1HD LYS 39 1HD LYS 39 2.836 -11.368 4.001 272 2HD LYS 39 2HD LYS 39 4.341 -11.887 3.271 273 1HE LYS 39 1HE LYS 39 4.407 -12.550 6.096 274 2HE LYS 39 2HE LYS 39 2.901 -13.137 5.418 275 1HZ LYS 39 1HZ LYS 39 5.187 -14.429 5.225 276 2HZ LYS 39 2HZ LYS 39 3.980 -14.596 4.138 277 3HZ LYS 39 3HZ LYS 39 5.239 -13.608 3.814 278 H SER 40 H SER 40 5.967 -9.732 7.370 279 HA SER 40 HA SER 40 3.863 -8.160 7.724 280 1HB SER 40 1HB SER 40 4.426 -8.134 10.157 281 2HB SER 40 2HB SER 40 4.646 -9.716 9.435 282 HG SER 40 HG SER 40 6.892 -9.442 9.433 283 H THR 41 H THR 41 7.041 -7.101 9.137 284 HA THR 41 HA THR 41 6.396 -4.464 9.471 285 HB THR 41 HB THR 41 8.999 -5.961 8.936 286 HG1 THR 41 1HG THR 41 8.126 -6.289 11.010 287 1HG2 THR 41 1HG2 THR 41 8.579 -3.011 9.645 288 2HG2 THR 41 2HG2 THR 41 10.103 -3.886 9.926 289 3HG2 THR 41 3HG2 THR 41 9.503 -3.654 8.266 290 H GLN 42 H GLN 42 7.784 -6.022 6.523 291 HA GLN 42 HA GLN 42 8.204 -3.752 5.092 292 1HB GLN 42 1HB GLN 42 8.945 -5.935 4.309 293 2HB GLN 42 2HB GLN 42 7.296 -6.511 4.175 294 1HG GLN 42 1HG GLN 42 6.823 -4.882 2.380 295 2HG GLN 42 2HG GLN 42 8.412 -4.166 2.567 296 1HE2 GLN 42 1HE2 GLN 42 8.001 -4.841 0.151 297 2HE2 GLN 42 2HE2 GLN 42 8.740 -6.331 -0.333 298 H PHE 43 H PHE 43 5.217 -5.836 5.018 299 HA PHE 43 HA PHE 43 3.737 -4.209 3.364 300 1HB PHE 43 1HB PHE 43 2.890 -6.389 3.886 301 2HB PHE 43 2HB PHE 43 3.245 -6.217 5.594 302 HD1 PHE 43 1HD PHE 43 0.951 -5.002 2.936 303 HD2 PHE 43 2HD PHE 43 1.564 -5.588 7.094 304 HE1 PHE 43 1HE PHE 43 -1.447 -4.403 3.374 305 HE2 PHE 43 2HE PHE 43 -0.833 -4.987 7.533 306 HZ PHE 43 HZ PHE 43 -2.310 -4.402 5.667 307 H GLU 44 H GLU 44 4.111 -4.136 6.957 308 HA GLU 44 HA GLU 44 2.154 -2.262 7.436 309 1HB GLU 44 1HB GLU 44 4.514 -3.357 8.868 310 2HB GLU 44 2HB GLU 44 4.045 -1.752 9.394 311 1HG GLU 44 1HG GLU 44 1.588 -2.785 9.397 312 2HG GLU 44 2HG GLU 44 2.439 -4.316 9.479 313 H TYR 45 H TYR 45 5.737 -1.611 7.508 314 HA TYR 45 HA TYR 45 5.671 1.085 7.509 315 1HB TYR 45 1HB TYR 45 7.767 -0.139 7.615 316 2HB TYR 45 2HB TYR 45 7.394 -1.059 6.171 317 HD1 TYR 45 1HD TYR 45 7.667 2.602 7.002 318 HD2 TYR 45 2HD TYR 45 8.816 -0.600 4.407 319 HE1 TYR 45 1HE TYR 45 9.051 4.218 5.610 320 HE2 TYR 45 2HE TYR 45 10.196 1.026 3.023 321 HH TYR 45 HH TYR 45 10.731 3.098 2.689 322 H ALA 46 H ALA 46 5.224 -1.085 4.670 323 HA ALA 46 HA ALA 46 5.338 0.920 2.726 324 1HB ALA 46 1HB ALA 46 3.769 -1.688 2.703 325 2HB ALA 46 2HB ALA 46 4.322 -0.762 1.287 326 3HB ALA 46 3HB ALA 46 5.508 -1.550 2.354 327 H TRP 47 H TRP 47 2.469 -0.678 4.295 328 HA TRP 47 HA TRP 47 0.560 0.942 3.118 329 1HB TRP 47 1HB TRP 47 -0.140 -1.044 4.148 330 2HB TRP 47 2HB TRP 47 0.638 -0.649 5.668 331 HD1 TRP 47 HD TRP 47 -1.103 0.061 7.467 332 HE1 TRP 47 1HE TRP 47 -3.461 1.240 7.596 333 HE3 TRP 47 3HE TRP 47 -1.545 0.894 2.471 334 HZ2 TRP 47 2HZ TRP 47 -5.207 2.363 5.638 335 HZ3 TRP 47 3HZ TRP 47 -3.607 2.038 1.662 336 HH2 TRP 47 HH TRP 47 -5.400 2.764 3.155 337 H CYS 48 H CYS 48 2.879 1.502 5.729 338 HA CYS 48 HA CYS 48 1.521 3.661 6.917 339 1HB CYS 48 1HB CYS 48 4.207 2.421 7.118 340 2HB CYS 48 2HB CYS 48 4.138 4.123 7.531 341 HG CYS 48 HG CYS 48 2.978 1.485 8.954 342 H LEU 49 H LEU 49 4.095 3.313 4.390 343 HA LEU 49 HA LEU 49 4.657 5.972 3.997 344 1HB LEU 49 1HB LEU 49 4.728 3.533 2.262 345 2HB LEU 49 2HB LEU 49 5.062 5.103 1.559 346 HG LEU 49 HG LEU 49 6.550 4.024 3.963 347 1HD1 LEU 49 1HD1 LEU 49 6.661 3.002 1.349 348 2HD1 LEU 49 2HD1 LEU 49 8.108 4.022 1.533 349 3HD1 LEU 49 3HD1 LEU 49 7.796 2.704 2.687 350 1HD2 LEU 49 1HD2 LEU 49 8.061 5.779 3.681 351 2HD2 LEU 49 2HD2 LEU 49 7.508 6.121 2.023 352 3HD2 LEU 49 3HD2 LEU 49 6.474 6.539 3.411 353 H VAL 50 H VAL 50 2.377 4.001 1.958 354 HA VAL 50 HA VAL 50 1.286 5.983 0.509 355 HB VAL 50 HB VAL 50 -0.820 4.583 0.572 356 1HG1 VAL 50 1HG1 VAL 50 1.244 4.289 -0.948 357 2HG1 VAL 50 2HG1 VAL 50 1.635 2.892 0.085 358 3HG1 VAL 50 3HG1 VAL 50 0.101 2.930 -0.817 359 1HG2 VAL 50 1HG2 VAL 50 -0.413 2.272 1.640 360 2HG2 VAL 50 2HG2 VAL 50 0.836 3.090 2.610 361 3HG2 VAL 50 3HG2 VAL 50 -0.860 3.620 2.713 362 H ARG 51 H ARG 51 0.319 5.019 3.864 363 HA ARG 51 HA ARG 51 -1.767 6.747 4.114 364 1HB ARG 51 1HB ARG 51 0.151 5.414 6.006 365 2HB ARG 51 2HB ARG 51 -0.796 6.729 6.670 366 1HG ARG 51 1HG ARG 51 -2.879 5.639 6.156 367 2HG ARG 51 2HG ARG 51 -2.109 4.495 5.075 368 1HD ARG 51 1HD ARG 51 -2.588 3.330 7.157 369 2HD ARG 51 2HD ARG 51 -0.851 3.534 7.055 370 HE ARG 51 HE ARG 51 -1.841 5.808 8.419 371 1HH1 ARG 51 1HH1 ARG 51 -1.701 2.327 8.915 372 2HH1 ARG 51 2HH1 ARG 51 -1.682 2.444 10.642 373 1HH2 ARG 51 1HH2 ARG 51 -1.816 5.964 10.699 374 2HH2 ARG 51 2HH2 ARG 51 -1.747 4.527 11.664 375 H SER 52 H SER 52 1.765 7.282 4.519 376 HA SER 52 HA SER 52 1.941 9.556 5.833 377 1HB SER 52 1HB SER 52 3.813 8.319 4.683 378 2HB SER 52 2HB SER 52 3.335 9.055 3.165 379 HG SER 52 HG SER 52 4.860 10.106 5.206 380 H LYS 53 H LYS 53 2.098 11.899 5.167 381 HA LYS 53 HA LYS 53 -0.195 12.581 3.587 382 1HB LYS 53 1HB LYS 53 0.351 14.886 4.285 383 2HB LYS 53 2HB LYS 53 0.216 13.780 5.638 384 1HG LYS 53 1HG LYS 53 2.284 14.439 6.297 385 2HG LYS 53 2HG LYS 53 2.936 13.624 4.890 386 1HD LYS 53 1HD LYS 53 3.697 15.693 4.288 387 2HD LYS 53 2HD LYS 53 2.054 15.974 3.747 388 1HE LYS 53 1HE LYS 53 2.985 16.568 6.593 389 2HE LYS 53 2HE LYS 53 3.028 17.760 5.310 390 1HZ LYS 53 1HZ LYS 53 0.899 17.174 6.874 391 2HZ LYS 53 2HZ LYS 53 0.863 18.063 5.504 392 3HZ LYS 53 3HZ LYS 53 0.518 16.468 5.451 393 H TYR 54 H TYR 54 3.203 12.071 3.060 394 HA TYR 54 HA TYR 54 3.478 13.877 0.877 395 1HB TYR 54 1HB TYR 54 4.905 11.527 2.186 396 2HB TYR 54 2HB TYR 54 5.436 11.984 0.580 397 HD1 TYR 54 1HD TYR 54 4.429 13.960 3.617 398 HD2 TYR 54 2HD TYR 54 7.431 13.156 0.677 399 HE1 TYR 54 1HE TYR 54 5.903 15.775 4.615 400 HE2 TYR 54 2HE TYR 54 8.895 14.974 1.685 401 HH TYR 54 HH TYR 54 7.679 17.200 3.979 402 H ASN 55 H ASN 55 4.299 12.877 -1.330 403 HA ASN 55 HA ASN 55 2.297 10.886 -2.055 404 1HB ASN 55 1HB ASN 55 3.433 13.305 -3.477 405 2HB ASN 55 2HB ASN 55 2.942 11.940 -4.462 406 1HD2 ASN 55 1HD2 ASN 55 1.652 14.201 -4.872 407 2HD2 ASN 55 2HD2 ASN 55 0.041 14.188 -4.233 408 H GLU 56 H GLU 56 5.685 12.056 -2.343 409 HA GLU 56 HA GLU 56 6.555 10.190 -4.193 410 1HB GLU 56 1HB GLU 56 7.911 11.882 -2.085 411 2HB GLU 56 2HB GLU 56 8.848 10.692 -2.965 412 1HG GLU 56 1HG GLU 56 8.053 11.716 -5.133 413 2HG GLU 56 2HG GLU 56 7.203 12.942 -4.215 414 H ASP 57 H ASP 57 5.723 9.908 -0.806 415 HA ASP 57 HA ASP 57 7.337 7.598 -0.391 416 1HB ASP 57 1HB ASP 57 5.122 8.955 1.203 417 2HB ASP 57 2HB ASP 57 5.873 7.469 1.749 418 H ILE 58 H ILE 58 4.049 8.465 -1.427 419 HA ILE 58 HA ILE 58 2.707 6.110 -0.860 420 HB ILE 58 HB ILE 58 2.372 8.197 -3.004 421 1HG1 ILE 58 1HG1 ILE 58 0.766 7.633 -0.496 422 2HG1 ILE 58 2HG1 ILE 58 2.040 8.831 -0.605 423 1HG2 ILE 58 1HG2 ILE 58 1.451 6.131 -3.887 424 2HG2 ILE 58 2HG2 ILE 58 0.537 5.867 -2.384 425 3HG2 ILE 58 3HG2 ILE 58 0.142 7.248 -3.434 426 1HD1 ILE 58 1HD1 ILE 58 -0.721 8.894 -1.715 427 2HD1 ILE 58 2HD1 ILE 58 0.329 10.234 -1.197 428 3HD1 ILE 58 3HD1 ILE 58 0.541 9.507 -2.808 429 H ARG 59 H ARG 59 4.364 7.095 -3.943 430 HA ARG 59 HA ARG 59 3.955 4.878 -5.359 431 1HB ARG 59 1HB ARG 59 6.630 6.356 -5.181 432 2HB ARG 59 2HB ARG 59 6.091 5.388 -6.538 433 1HG ARG 59 1HG ARG 59 4.022 6.982 -6.618 434 2HG ARG 59 2HG ARG 59 4.943 8.030 -5.558 435 1HD ARG 59 1HD ARG 59 6.866 7.814 -7.319 436 2HD ARG 59 2HD ARG 59 5.643 7.159 -8.390 437 HE ARG 59 HE ARG 59 4.469 9.482 -7.434 438 1HH1 ARG 59 1HH1 ARG 59 7.530 8.758 -9.012 439 2HH1 ARG 59 2HH1 ARG 59 7.655 10.313 -9.765 440 1HH2 ARG 59 1HH2 ARG 59 4.634 11.533 -8.426 441 2HH2 ARG 59 2HH2 ARG 59 5.997 11.902 -9.430 442 H ARG 60 H ARG 60 6.378 5.373 -2.740 443 HA ARG 60 HA ARG 60 7.761 3.016 -3.157 444 1HB ARG 60 1HB ARG 60 7.501 5.053 -0.995 445 2HB ARG 60 2HB ARG 60 7.988 3.470 -0.422 446 1HG ARG 60 1HG ARG 60 10.102 3.925 -1.102 447 2HG ARG 60 2HG ARG 60 9.536 3.897 -2.760 448 1HD ARG 60 1HD ARG 60 8.773 6.386 -2.285 449 2HD ARG 60 2HD ARG 60 9.878 6.293 -0.926 450 HE ARG 60 HE ARG 60 11.154 5.335 -3.344 451 1HH1 ARG 60 1HH1 ARG 60 10.187 8.281 -1.680 452 2HH1 ARG 60 2HH1 ARG 60 11.397 9.259 -2.439 453 1HH2 ARG 60 1HH2 ARG 60 12.751 6.626 -4.347 454 2HH2 ARG 60 2HH2 ARG 60 12.865 8.312 -3.967 455 H GLY 61 H GLY 61 5.343 3.812 -0.541 456 1HA GLY 61 1HA GLY 61 4.987 1.448 0.661 457 2HA GLY 61 2HA GLY 61 3.666 2.546 0.314 458 H ILE 62 H ILE 62 4.106 2.235 -2.697 459 HA ILE 62 HA ILE 62 2.361 0.000 -2.997 460 HB ILE 62 HB ILE 62 3.697 1.802 -5.019 461 1HG1 ILE 62 1HG1 ILE 62 0.839 1.903 -4.039 462 2HG1 ILE 62 2HG1 ILE 62 2.120 2.839 -3.298 463 1HG2 ILE 62 1HG2 ILE 62 1.811 -0.492 -5.290 464 2HG2 ILE 62 2HG2 ILE 62 1.565 0.927 -6.334 465 3HG2 ILE 62 3HG2 ILE 62 3.117 0.058 -6.365 466 1HD1 ILE 62 1HD1 ILE 62 1.756 4.414 -4.888 467 2HD1 ILE 62 2HD1 ILE 62 2.462 3.280 -6.064 468 3HD1 ILE 62 3HD1 ILE 62 0.700 3.317 -5.810 469 H VAL 63 H VAL 63 5.580 0.759 -4.512 470 HA VAL 63 HA VAL 63 6.179 -1.569 -5.628 471 HB VAL 63 HB VAL 63 8.370 -0.925 -5.565 472 1HG1 VAL 63 1HG1 VAL 63 7.299 1.704 -4.563 473 2HG1 VAL 63 2HG1 VAL 63 8.430 1.375 -5.897 474 3HG1 VAL 63 3HG1 VAL 63 6.699 1.010 -6.088 475 1HG2 VAL 63 1HG2 VAL 63 8.668 -1.345 -3.135 476 2HG2 VAL 63 2HG2 VAL 63 9.529 0.107 -3.697 477 3HG2 VAL 63 3HG2 VAL 63 8.002 0.271 -2.798 478 H LEU 64 H LEU 64 6.663 -0.866 -2.097 479 HA LEU 64 HA LEU 64 7.641 -3.335 -1.388 480 1HB LEU 64 1HB LEU 64 5.786 -1.794 0.391 481 2HB LEU 64 2HB LEU 64 7.211 -2.722 0.813 482 HG LEU 64 HG LEU 64 7.094 0.003 -0.491 483 1HD1 LEU 64 1HD1 LEU 64 8.773 0.259 1.596 484 2HD1 LEU 64 2HD1 LEU 64 7.014 0.505 1.711 485 3HD1 LEU 64 3HD1 LEU 64 7.730 -1.046 2.211 486 1HD2 LEU 64 1HD2 LEU 64 9.213 -0.106 -1.232 487 2HD2 LEU 64 2HD2 LEU 64 9.756 -1.107 0.136 488 3HD2 LEU 64 3HD2 LEU 64 8.923 -1.862 -1.244 489 H LEU 65 H LEU 65 4.191 -2.244 -1.005 490 HA LEU 65 HA LEU 65 3.182 -4.732 -0.409 491 1HB LEU 65 1HB LEU 65 1.814 -2.479 -1.887 492 2HB LEU 65 2HB LEU 65 1.021 -3.805 -1.061 493 HG LEU 65 HG LEU 65 2.870 -1.994 0.467 494 1HD1 LEU 65 1HD1 LEU 65 -0.056 -1.347 0.251 495 2HD1 LEU 65 2HD1 LEU 65 1.300 -0.326 0.789 496 3HD1 LEU 65 3HD1 LEU 65 1.102 -0.704 -0.939 497 1HD2 LEU 65 1HD2 LEU 65 0.322 -3.311 1.400 498 2HD2 LEU 65 2HD2 LEU 65 1.881 -4.168 1.380 499 3HD2 LEU 65 3HD2 LEU 65 1.687 -2.699 2.365 500 H GLU 66 H GLU 66 3.951 -3.238 -3.572 501 HA GLU 66 HA GLU 66 2.641 -5.155 -5.103 502 1HB GLU 66 1HB GLU 66 4.987 -3.309 -5.709 503 2HB GLU 66 2HB GLU 66 4.241 -4.323 -6.928 504 1HG GLU 66 1HG GLU 66 2.038 -3.087 -5.720 505 2HG GLU 66 2HG GLU 66 3.248 -1.821 -5.704 506 H GLU 67 H GLU 67 5.535 -5.282 -3.189 507 HA GLU 67 HA GLU 67 6.613 -7.458 -4.747 508 1HB GLU 67 1HB GLU 67 7.620 -5.594 -2.669 509 2HB GLU 67 2HB GLU 67 8.215 -7.233 -2.498 510 1HG GLU 67 1HG GLU 67 8.352 -6.633 -5.289 511 2HG GLU 67 2HG GLU 67 8.963 -5.215 -4.461 512 H LEU 68 H LEU 68 4.747 -6.801 -1.818 513 HA LEU 68 HA LEU 68 5.182 -9.443 -0.753 514 1HB LEU 68 1HB LEU 68 3.376 -7.178 0.098 515 2HB LEU 68 2HB LEU 68 3.556 -8.691 0.963 516 HG LEU 68 HG LEU 68 5.672 -6.571 0.528 517 1HD1 LEU 68 1HD1 LEU 68 4.077 -5.997 2.255 518 2HD1 LEU 68 2HD1 LEU 68 4.289 -7.588 3.025 519 3HD1 LEU 68 3HD1 LEU 68 5.638 -6.427 2.994 520 1HD2 LEU 68 1HD2 LEU 68 5.943 -9.430 1.197 521 2HD2 LEU 68 2HD2 LEU 68 7.129 -8.280 0.536 522 3HD2 LEU 68 3HD2 LEU 68 6.802 -8.314 2.284 523 H LEU 69 H LEU 69 3.216 -7.959 -3.157 524 HA LEU 69 HA LEU 69 0.811 -9.272 -2.869 525 1HB LEU 69 1HB LEU 69 2.249 -7.810 -4.910 526 2HB LEU 69 2HB LEU 69 1.344 -9.134 -5.615 527 HG LEU 69 HG LEU 69 -0.028 -7.188 -5.682 528 1HD1 LEU 69 1HD1 LEU 69 -1.792 -8.454 -5.236 529 2HD1 LEU 69 2HD1 LEU 69 -0.780 -9.535 -4.248 530 3HD1 LEU 69 3HD1 LEU 69 -1.589 -8.138 -3.496 531 1HD2 LEU 69 1HD2 LEU 69 0.504 -6.882 -2.714 532 2HD2 LEU 69 2HD2 LEU 69 1.072 -5.818 -4.024 533 3HD2 LEU 69 3HD2 LEU 69 -0.666 -5.923 -3.653 534 HA PRO 70 HA PRO 70 2.585 -12.914 -5.252 535 1HB PRO 70 1HB PRO 70 5.152 -12.896 -6.190 536 2HB PRO 70 2HB PRO 70 3.773 -12.416 -7.160 537 1HG PRO 70 1HG PRO 70 5.829 -10.713 -5.890 538 2HG PRO 70 2HG PRO 70 4.718 -10.312 -7.184 539 1HD PRO 70 1HD PRO 70 4.502 -9.528 -4.434 540 2HD PRO 70 2HD PRO 70 3.334 -9.226 -5.704 541 H LYS 71 H LYS 71 4.655 -11.331 -3.017 542 HA LYS 71 HA LYS 71 5.610 -13.914 -2.063 543 1HB LYS 71 1HB LYS 71 6.402 -11.075 -1.357 544 2HB LYS 71 2HB LYS 71 7.088 -12.509 -0.622 545 1HG LYS 71 1HG LYS 71 7.563 -13.269 -3.103 546 2HG LYS 71 2HG LYS 71 7.311 -11.582 -3.503 547 1HD LYS 71 1HD LYS 71 9.049 -10.994 -1.713 548 2HD LYS 71 2HD LYS 71 9.386 -12.708 -1.568 549 1HE LYS 71 1HE LYS 71 9.437 -11.474 -4.326 550 2HE LYS 71 2HE LYS 71 10.783 -11.152 -3.249 551 1HZ LYS 71 1HZ LYS 71 10.079 -13.883 -3.218 552 2HZ LYS 71 2HZ LYS 71 10.411 -13.389 -4.738 553 3HZ LYS 71 3HZ LYS 71 11.520 -13.192 -3.556 554 H GLY 72 H GLY 72 2.742 -12.841 -1.885 555 1HA GLY 72 1HA GLY 72 2.443 -12.480 1.001 556 2HA GLY 72 2HA GLY 72 1.210 -12.302 -0.231 557 H SER 73 H SER 73 0.445 -13.722 1.944 558 HA SER 73 HA SER 73 0.996 -16.499 1.454 559 1HB SER 73 1HB SER 73 -0.498 -14.958 3.592 560 2HB SER 73 2HB SER 73 -0.705 -16.693 3.457 561 HG SER 73 HG SER 73 1.614 -16.939 3.702 562 H LYS 74 H LYS 74 -2.150 -14.923 2.313 563 HA LYS 74 HA LYS 74 -3.310 -15.630 -0.210 564 1HB LYS 74 1HB LYS 74 -3.220 -17.725 1.463 565 2HB LYS 74 2HB LYS 74 -4.676 -16.968 2.079 566 1HG LYS 74 1HG LYS 74 -5.103 -16.800 -0.651 567 2HG LYS 74 2HG LYS 74 -4.197 -18.295 -0.544 568 1HD LYS 74 1HD LYS 74 -6.288 -18.062 1.542 569 2HD LYS 74 2HD LYS 74 -6.938 -18.017 -0.084 570 1HE LYS 74 1HE LYS 74 -6.251 -20.192 -0.581 571 2HE LYS 74 2HE LYS 74 -4.857 -20.113 0.478 572 1HZ LYS 74 1HZ LYS 74 -6.332 -21.466 1.579 573 2HZ LYS 74 2HZ LYS 74 -6.586 -20.033 2.319 574 3HZ LYS 74 3HZ LYS 74 -7.647 -20.574 1.202 575 H GLU 75 H GLU 75 -4.263 -15.051 3.254 576 HA GLU 75 HA GLU 75 -6.269 -13.237 2.358 577 1HB GLU 75 1HB GLU 75 -6.864 -13.059 4.717 578 2HB GLU 75 2HB GLU 75 -6.586 -14.745 4.327 579 1HG GLU 75 1HG GLU 75 -4.045 -13.955 5.077 580 2HG GLU 75 2HG GLU 75 -5.028 -12.930 6.103 581 H GLU 76 H GLU 76 -2.971 -12.979 2.553 582 HA GLU 76 HA GLU 76 -3.008 -10.317 3.692 583 1HB GLU 76 1HB GLU 76 -0.875 -12.355 3.087 584 2HB GLU 76 2HB GLU 76 -0.408 -10.666 3.118 585 1HG GLU 76 1HG GLU 76 -2.030 -10.961 5.407 586 2HG GLU 76 2HG GLU 76 -1.105 -12.448 5.354 587 H GLN 77 H GLN 77 -3.137 -11.979 0.654 588 HA GLN 77 HA GLN 77 -1.842 -9.953 -0.846 589 1HB GLN 77 1HB GLN 77 -3.100 -12.566 -1.339 590 2HB GLN 77 2HB GLN 77 -3.467 -11.416 -2.609 591 1HG GLN 77 1HG GLN 77 -0.810 -10.899 -2.339 592 2HG GLN 77 2HG GLN 77 -0.814 -12.563 -1.790 593 1HE2 GLN 77 1HE2 GLN 77 0.059 -13.621 -3.434 594 2HE2 GLN 77 2HE2 GLN 77 -0.534 -13.658 -5.061 595 H ARG 78 H ARG 78 -5.297 -11.044 -0.501 596 HA ARG 78 HA ARG 78 -6.368 -9.057 -2.039 597 1HB ARG 78 1HB ARG 78 -8.435 -9.847 -1.279 598 2HB ARG 78 2HB ARG 78 -7.413 -11.200 -0.833 599 1HG ARG 78 1HG ARG 78 -8.095 -8.895 1.051 600 2HG ARG 78 2HG ARG 78 -8.974 -10.410 1.010 601 1HD ARG 78 1HD ARG 78 -6.425 -11.380 1.239 602 2HD ARG 78 2HD ARG 78 -6.220 -9.839 2.050 603 HE ARG 78 HE ARG 78 -7.735 -12.123 3.031 604 1HH1 ARG 78 1HH1 ARG 78 -7.516 -8.613 3.145 605 2HH1 ARG 78 2HH1 ARG 78 -8.300 -8.487 4.684 606 1HH2 ARG 78 1HH2 ARG 78 -8.769 -11.957 5.062 607 2HH2 ARG 78 2HH2 ARG 78 -9.016 -10.401 5.782 608 H ASP 79 H ASP 79 -4.858 -8.887 1.082 609 HA ASP 79 HA ASP 79 -6.324 -6.584 1.923 610 1HB ASP 79 1HB ASP 79 -5.581 -7.903 3.735 611 2HB ASP 79 2HB ASP 79 -4.029 -8.233 2.991 612 H TYR 80 H TYR 80 -3.263 -7.475 0.310 613 HA TYR 80 HA TYR 80 -1.930 -5.019 0.639 614 1HB TYR 80 1HB TYR 80 -1.900 -7.275 -1.460 615 2HB TYR 80 2HB TYR 80 -0.680 -6.018 -1.415 616 HD1 TYR 80 1HD TYR 80 -0.144 -8.992 -1.212 617 HD2 TYR 80 2HD TYR 80 -0.790 -6.020 1.797 618 HE1 TYR 80 1HE TYR 80 1.214 -10.363 0.444 619 HE2 TYR 80 2HE TYR 80 0.570 -7.400 3.443 620 HH TYR 80 HH TYR 80 2.564 -9.881 2.497 621 H VAL 81 H VAL 81 -3.517 -6.405 -2.332 622 HA VAL 81 HA VAL 81 -3.347 -4.333 -3.993 623 HB VAL 81 HB VAL 81 -5.790 -6.040 -3.476 624 1HG1 VAL 81 1HG1 VAL 81 -6.012 -5.605 -6.062 625 2HG1 VAL 81 2HG1 VAL 81 -6.640 -4.421 -4.890 626 3HG1 VAL 81 3HG1 VAL 81 -5.074 -4.139 -5.688 627 1HG2 VAL 81 1HG2 VAL 81 -4.035 -7.536 -3.888 628 2HG2 VAL 81 2HG2 VAL 81 -4.774 -7.306 -5.490 629 3HG2 VAL 81 3HG2 VAL 81 -3.265 -6.458 -5.076 630 H PHE 82 H PHE 82 -5.951 -4.692 -1.483 631 HA PHE 82 HA PHE 82 -7.431 -2.538 -1.867 632 1HB PHE 82 1HB PHE 82 -7.520 -4.171 0.064 633 2HB PHE 82 2HB PHE 82 -6.079 -3.443 0.747 634 HD1 PHE 82 1HD PHE 82 -6.739 -2.502 2.759 635 HD2 PHE 82 2HD PHE 82 -9.115 -1.825 -0.691 636 HE1 PHE 82 1HE PHE 82 -8.165 -0.895 4.057 637 HE2 PHE 82 2HE PHE 82 -10.543 -0.218 0.607 638 HZ PHE 82 HZ PHE 82 -10.050 0.228 2.965 639 H TYR 83 H TYR 83 -4.179 -2.479 -0.269 640 HA TYR 83 HA TYR 83 -4.256 0.337 0.126 641 1HB TYR 83 1HB TYR 83 -2.153 -1.904 0.104 642 2HB TYR 83 2HB TYR 83 -1.702 -0.252 0.479 643 HD1 TYR 83 1HD TYR 83 -4.910 -0.503 1.736 644 HD2 TYR 83 2HD TYR 83 -0.957 -1.942 2.522 645 HE1 TYR 83 1HE TYR 83 -5.526 -0.889 4.171 646 HE2 TYR 83 2HE TYR 83 -1.588 -2.323 4.955 647 HH TYR 83 HH TYR 83 -4.148 -2.787 6.099 648 H LEU 84 H LEU 84 -2.640 -1.871 -2.249 649 HA LEU 84 HA LEU 84 -1.104 -0.104 -3.595 650 1HB LEU 84 1HB LEU 84 -2.665 -2.518 -4.408 651 2HB LEU 84 2HB LEU 84 -1.878 -1.564 -5.649 652 HG LEU 84 HG LEU 84 0.287 -1.843 -4.378 653 1HD1 LEU 84 1HD1 LEU 84 0.226 -3.968 -2.875 654 2HD1 LEU 84 2HD1 LEU 84 -0.248 -2.391 -2.198 655 3HD1 LEU 84 3HD1 LEU 84 -1.496 -3.564 -2.682 656 1HD2 LEU 84 1HD2 LEU 84 -1.156 -4.228 -5.544 657 2HD2 LEU 84 2HD2 LEU 84 -0.005 -3.129 -6.340 658 3HD2 LEU 84 3HD2 LEU 84 0.565 -4.260 -5.090 659 H ALA 85 H ALA 85 -4.667 -0.569 -3.897 660 HA ALA 85 HA ALA 85 -4.936 1.285 -6.015 661 1HB ALA 85 1HB ALA 85 -6.532 -0.564 -5.433 662 2HB ALA 85 2HB ALA 85 -6.998 0.352 -3.980 663 3HB ALA 85 3HB ALA 85 -7.314 1.027 -5.596 664 H VAL 86 H VAL 86 -5.148 1.465 -2.421 665 HA VAL 86 HA VAL 86 -6.141 4.045 -2.245 666 HB VAL 86 HB VAL 86 -4.519 2.232 -0.506 667 1HG1 VAL 86 1HG1 VAL 86 -3.510 4.343 0.023 668 2HG1 VAL 86 2HG1 VAL 86 -5.093 5.154 0.075 669 3HG1 VAL 86 3HG1 VAL 86 -4.665 3.958 1.322 670 1HG2 VAL 86 1HG2 VAL 86 -7.022 3.573 0.392 671 2HG2 VAL 86 2HG2 VAL 86 -7.169 2.401 -0.939 672 3HG2 VAL 86 3HG2 VAL 86 -6.470 1.897 0.618 673 H GLY 87 H GLY 87 -2.691 2.898 -2.196 674 1HA GLY 87 1HA GLY 87 -1.548 5.460 -2.145 675 2HA GLY 87 2HA GLY 87 -0.773 3.973 -2.655 676 H ASN 88 H ASN 88 -2.152 3.161 -4.902 677 HA ASN 88 HA ASN 88 -1.065 4.688 -6.861 678 1HB ASN 88 1HB ASN 88 -3.298 2.651 -6.757 679 2HB ASN 88 2HB ASN 88 -3.086 3.538 -8.253 680 1HD2 ASN 88 1HD2 ASN 88 -2.431 0.735 -6.929 681 2HD2 ASN 88 2HD2 ASN 88 -0.884 0.337 -7.598 682 H TYR 89 H TYR 89 -4.532 4.542 -5.737 683 HA TYR 89 HA TYR 89 -5.675 6.351 -7.400 684 1HB TYR 89 1HB TYR 89 -7.004 5.187 -5.750 685 2HB TYR 89 2HB TYR 89 -5.897 5.590 -4.452 686 HD1 TYR 89 1HD TYR 89 -6.098 7.669 -3.227 687 HD2 TYR 89 2HD TYR 89 -8.658 6.851 -6.557 688 HE1 TYR 89 1HE TYR 89 -7.608 9.600 -2.550 689 HE2 TYR 89 2HE TYR 89 -10.159 8.785 -5.868 690 HH TYR 89 HH TYR 89 -9.290 10.852 -3.123 691 H ARG 90 H ARG 90 -3.866 7.061 -4.340 692 HA ARG 90 HA ARG 90 -4.350 9.728 -4.259 693 1HB ARG 90 1HB ARG 90 -2.750 7.913 -2.864 694 2HB ARG 90 2HB ARG 90 -1.555 8.992 -3.558 695 1HG ARG 90 1HG ARG 90 -3.993 10.173 -2.205 696 2HG ARG 90 2HG ARG 90 -2.686 9.557 -1.214 697 1HD ARG 90 1HD ARG 90 -1.276 11.286 -1.771 698 2HD ARG 90 2HD ARG 90 -1.753 11.266 -3.457 699 HE ARG 90 HE ARG 90 -3.238 12.998 -2.988 700 1HH1 ARG 90 1HH1 ARG 90 -2.643 11.209 -0.016 701 2HH1 ARG 90 2HH1 ARG 90 -3.599 12.270 0.964 702 1HH2 ARG 90 1HH2 ARG 90 -4.498 14.398 -1.695 703 2HH2 ARG 90 2HH2 ARG 90 -4.661 14.096 0.003 704 H LEU 91 H LEU 91 -2.111 7.862 -6.312 705 HA LEU 91 HA LEU 91 -0.812 10.271 -7.260 706 1HB LEU 91 1HB LEU 91 -0.432 7.423 -8.178 707 2HB LEU 91 2HB LEU 91 0.621 8.790 -8.480 708 HG LEU 91 HG LEU 91 0.074 7.893 -5.659 709 1HD1 LEU 91 1HD1 LEU 91 2.030 6.650 -7.604 710 2HD1 LEU 91 2HD1 LEU 91 2.159 6.496 -5.836 711 3HD1 LEU 91 3HD1 LEU 91 0.734 5.850 -6.683 712 1HD2 LEU 91 1HD2 LEU 91 1.644 9.925 -6.875 713 2HD2 LEU 91 2HD2 LEU 91 1.511 9.501 -5.151 714 3HD2 LEU 91 3HD2 LEU 91 2.759 8.733 -6.163 715 H LYS 92 H LYS 92 -3.817 9.263 -7.645 716 HA LYS 92 HA LYS 92 -5.362 9.603 -9.188 717 1HB LYS 92 1HB LYS 92 -3.150 10.917 -10.797 718 2HB LYS 92 2HB LYS 92 -4.860 10.993 -11.173 719 1HG LYS 92 1HG LYS 92 -5.081 11.854 -8.662 720 2HG LYS 92 2HG LYS 92 -3.379 12.228 -8.840 721 1HD LYS 92 1HD LYS 92 -4.104 13.404 -11.083 722 2HD LYS 92 2HD LYS 92 -5.723 13.341 -10.417 723 1HE LYS 92 1HE LYS 92 -5.229 15.267 -9.314 724 2HE LYS 92 2HE LYS 92 -4.200 14.307 -8.269 725 1HZ LYS 92 1HZ LYS 92 -3.284 16.290 -9.679 726 2HZ LYS 92 2HZ LYS 92 -2.361 14.982 -9.349 727 3HZ LYS 92 3HZ LYS 92 -3.085 15.124 -10.807 728 H GLU 93 H GLU 93 -3.632 7.165 -8.998 729 HA GLU 93 HA GLU 93 -3.608 6.299 -11.753 730 1HB GLU 93 1HB GLU 93 -2.373 5.353 -9.190 731 2HB GLU 93 2HB GLU 93 -2.727 4.127 -10.389 732 1HG GLU 93 1HG GLU 93 -1.159 6.676 -10.997 733 2HG GLU 93 2HG GLU 93 -0.403 5.155 -10.569 734 H TYR 94 H TYR 94 -6.060 6.494 -11.789 735 HA TYR 94 HA TYR 94 -7.604 4.753 -10.179 736 1HB TYR 94 1HB TYR 94 -8.207 5.876 -12.975 737 2HB TYR 94 2HB TYR 94 -9.371 5.566 -11.701 738 HD1 TYR 94 1HD TYR 94 -8.015 6.856 -9.368 739 HD2 TYR 94 2HD TYR 94 -8.450 8.168 -13.418 740 HE1 TYR 94 1HE TYR 94 -7.827 9.277 -8.613 741 HE2 TYR 94 2HE TYR 94 -8.260 10.583 -12.648 742 HH TYR 94 HH TYR 94 -7.075 11.704 -10.519 743 H GLU 95 H GLU 95 -6.489 4.624 -13.633 744 HA GLU 95 HA GLU 95 -7.709 2.400 -14.441 745 1HB GLU 95 1HB GLU 95 -4.842 3.288 -14.956 746 2HB GLU 95 2HB GLU 95 -5.595 1.974 -15.838 747 1HG GLU 95 1HG GLU 95 -7.180 4.512 -15.681 748 2HG GLU 95 2HG GLU 95 -5.710 4.591 -16.633 749 H LYS 96 H LYS 96 -4.513 2.469 -12.702 750 HA LYS 96 HA LYS 96 -4.440 -0.360 -12.473 751 1HB LYS 96 1HB LYS 96 -2.829 1.877 -11.222 752 2HB LYS 96 2HB LYS 96 -2.524 0.184 -10.891 753 1HG LYS 96 1HG LYS 96 -2.683 1.193 -13.754 754 2HG LYS 96 2HG LYS 96 -1.197 1.347 -12.836 755 1HD LYS 96 1HD LYS 96 -1.259 -1.140 -12.390 756 2HD LYS 96 2HD LYS 96 -2.689 -1.262 -13.395 757 1HE LYS 96 1HE LYS 96 -1.343 -0.239 -15.307 758 2HE LYS 96 2HE LYS 96 0.080 -0.334 -14.289 759 1HZ LYS 96 1HZ LYS 96 -0.137 -2.256 -15.701 760 2HZ LYS 96 2HZ LYS 96 -0.251 -2.703 -14.134 761 3HZ LYS 96 3HZ LYS 96 -1.594 -2.624 -15.059 762 H ALA 97 H ALA 97 -4.926 2.307 -10.046 763 HA ALA 97 HA ALA 97 -5.429 0.889 -7.838 764 1HB ALA 97 1HB ALA 97 -6.955 3.299 -8.903 765 2HB ALA 97 2HB ALA 97 -6.997 2.741 -7.213 766 3HB ALA 97 3HB ALA 97 -5.472 3.322 -7.921 767 H LEU 98 H LEU 98 -7.857 1.589 -10.444 768 HA LEU 98 HA LEU 98 -9.940 0.180 -9.247 769 1HB LEU 98 1HB LEU 98 -9.298 1.181 -11.979 770 2HB LEU 98 2HB LEU 98 -10.595 0.014 -11.819 771 HG LEU 98 HG LEU 98 -10.468 2.614 -10.271 772 1HD1 LEU 98 1HD1 LEU 98 -11.642 1.968 -12.961 773 2HD1 LEU 98 2HD1 LEU 98 -12.389 3.205 -11.921 774 3HD1 LEU 98 3HD1 LEU 98 -10.696 3.385 -12.442 775 1HD2 LEU 98 1HD2 LEU 98 -13.015 1.156 -10.757 776 2HD2 LEU 98 2HD2 LEU 98 -11.880 0.451 -9.581 777 3HD2 LEU 98 3HD2 LEU 98 -12.481 2.111 -9.353 778 H LYS 99 H LYS 99 -7.923 -0.880 -12.084 779 HA LYS 99 HA LYS 99 -8.716 -3.429 -12.258 780 1HB LYS 99 1HB LYS 99 -6.551 -1.890 -13.182 781 2HB LYS 99 2HB LYS 99 -5.823 -3.313 -12.468 782 1HG LYS 99 1HG LYS 99 -6.338 -4.398 -14.399 783 2HG LYS 99 2HG LYS 99 -8.003 -4.381 -13.855 784 1HD LYS 99 1HD LYS 99 -8.277 -3.324 -15.903 785 2HD LYS 99 2HD LYS 99 -7.986 -1.915 -14.903 786 1HE LYS 99 1HE LYS 99 -6.512 -1.623 -16.749 787 2HE LYS 99 2HE LYS 99 -5.472 -2.215 -15.469 788 1HZ LYS 99 1HZ LYS 99 -6.703 -3.934 -17.509 789 2HZ LYS 99 2HZ LYS 99 -5.173 -3.368 -17.582 790 3HZ LYS 99 3HZ LYS 99 -5.610 -4.394 -16.387 791 H TYR 100 H TYR 100 -6.822 -1.976 -9.642 792 HA TYR 100 HA TYR 100 -6.159 -4.562 -8.528 793 1HB TYR 100 1HB TYR 100 -5.521 -1.667 -8.269 794 2HB TYR 100 2HB TYR 100 -5.730 -2.409 -6.695 795 HD1 TYR 100 1HD TYR 100 -3.181 -1.236 -8.168 796 HD2 TYR 100 2HD TYR 100 -4.652 -5.189 -7.449 797 HE1 TYR 100 1HE TYR 100 -0.810 -2.147 -8.278 798 HE2 TYR 100 2HE TYR 100 -2.276 -6.086 -7.561 799 HH TYR 100 HH TYR 100 -0.108 -5.295 -8.726 800 H VAL 101 H VAL 101 -8.368 -1.783 -7.881 801 HA VAL 101 HA VAL 101 -9.322 -2.813 -5.436 802 HB VAL 101 HB VAL 101 -9.722 -0.546 -7.161 803 1HG1 VAL 101 1HG1 VAL 101 -12.146 -0.155 -6.467 804 2HG1 VAL 101 2HG1 VAL 101 -11.872 -1.335 -7.772 805 3HG1 VAL 101 3HG1 VAL 101 -12.222 -1.899 -6.121 806 1HG2 VAL 101 1HG2 VAL 101 -8.936 -0.708 -4.724 807 2HG2 VAL 101 2HG2 VAL 101 -10.065 0.605 -5.133 808 3HG2 VAL 101 3HG2 VAL 101 -10.659 -0.853 -4.303 809 H ARG 102 H ARG 102 -10.800 -2.722 -8.760 810 HA ARG 102 HA ARG 102 -12.992 -4.200 -8.133 811 1HB ARG 102 1HB ARG 102 -11.392 -4.062 -10.734 812 2HB ARG 102 2HB ARG 102 -12.966 -4.825 -10.628 813 1HG ARG 102 1HG ARG 102 -13.854 -2.773 -11.038 814 2HG ARG 102 2HG ARG 102 -13.406 -2.354 -9.396 815 1HD ARG 102 1HD ARG 102 -12.550 -0.738 -11.171 816 2HD ARG 102 2HD ARG 102 -11.310 -1.374 -10.109 817 HE ARG 102 HE ARG 102 -10.330 -2.421 -11.949 818 1HH1 ARG 102 1HH1 ARG 102 -13.698 -1.737 -12.704 819 2HH1 ARG 102 2HH1 ARG 102 -13.569 -2.264 -14.349 820 1HH2 ARG 102 1HH2 ARG 102 -10.159 -3.116 -14.119 821 2HH2 ARG 102 2HH2 ARG 102 -11.543 -3.054 -15.159 822 H GLY 103 H GLY 103 -9.638 -5.213 -8.800 823 1HA GLY 103 1HA GLY 103 -10.263 -8.001 -9.128 824 2HA GLY 103 2HA GLY 103 -8.680 -7.263 -8.988 825 H LEU 104 H LEU 104 -10.264 -5.891 -6.447 826 HA LEU 104 HA LEU 104 -9.360 -8.015 -4.644 827 1HB LEU 104 1HB LEU 104 -8.178 -5.941 -4.390 828 2HB LEU 104 2HB LEU 104 -9.675 -5.037 -4.273 829 HG LEU 104 HG LEU 104 -8.341 -5.526 -2.124 830 1HD1 LEU 104 1HD1 LEU 104 -10.358 -4.497 -1.745 831 2HD1 LEU 104 2HD1 LEU 104 -11.297 -5.794 -2.521 832 3HD1 LEU 104 3HD1 LEU 104 -10.607 -6.043 -0.899 833 1HD2 LEU 104 1HD2 LEU 104 -7.855 -7.816 -2.260 834 2HD2 LEU 104 2HD2 LEU 104 -9.136 -7.699 -1.030 835 3HD2 LEU 104 3HD2 LEU 104 -9.532 -8.242 -2.678 836 H LEU 105 H LEU 105 -12.125 -6.107 -5.748 837 HA LEU 105 HA LEU 105 -13.837 -6.411 -3.621 838 1HB LEU 105 1HB LEU 105 -14.165 -6.129 -6.576 839 2HB LEU 105 2HB LEU 105 -15.573 -6.508 -5.605 840 HG LEU 105 HG LEU 105 -15.350 -4.102 -6.042 841 1HD1 LEU 105 1HD1 LEU 105 -15.616 -3.310 -3.717 842 2HD1 LEU 105 2HD1 LEU 105 -16.535 -4.797 -4.051 843 3HD1 LEU 105 3HD1 LEU 105 -15.012 -4.880 -3.133 844 1HD2 LEU 105 1HD2 LEU 105 -13.056 -3.692 -6.239 845 2HD2 LEU 105 2HD2 LEU 105 -13.519 -2.879 -4.725 846 3HD2 LEU 105 3HD2 LEU 105 -12.687 -4.451 -4.672 847 H GLN 106 H GLN 106 -12.486 -8.817 -5.767 848 HA GLN 106 HA GLN 106 -14.388 -10.713 -5.860 849 1HB GLN 106 1HB GLN 106 -11.534 -10.578 -6.161 850 2HB GLN 106 2HB GLN 106 -11.888 -12.012 -5.219 851 1HG GLN 106 1HG GLN 106 -13.853 -11.965 -7.278 852 2HG GLN 106 2HG GLN 106 -12.350 -11.519 -8.063 853 1HE2 GLN 106 1HE2 GLN 106 -14.255 -14.021 -7.459 854 2HE2 GLN 106 2HE2 GLN 106 -13.129 -15.333 -7.341 855 H THR 107 H THR 107 -11.707 -11.152 -3.471 856 HA THR 107 HA THR 107 -13.463 -12.594 -1.729 857 HB THR 107 HB THR 107 -10.871 -12.852 -2.269 858 HG1 THR 107 1HG THR 107 -11.879 -14.199 -0.724 859 1HG2 THR 107 1HG2 THR 107 -10.409 -10.452 -1.360 860 2HG2 THR 107 2HG2 THR 107 -10.776 -11.125 0.246 861 3HG2 THR 107 3HG2 THR 107 -9.407 -11.765 -0.694 862 H GLU 108 H GLU 108 -13.278 -9.353 -2.373 863 HA GLU 108 HA GLU 108 -14.207 -8.796 0.322 864 1HB GLU 108 1HB GLU 108 -12.295 -7.013 -1.251 865 2HB GLU 108 2HB GLU 108 -13.016 -6.607 0.295 866 1HG GLU 108 1HG GLU 108 -11.325 -9.112 -0.110 867 2HG GLU 108 2HG GLU 108 -10.626 -7.576 0.360 868 HA PRO 109 HA PRO 109 -16.937 -7.268 -3.026 869 1HB PRO 109 1HB PRO 109 -19.119 -8.841 -2.549 870 2HB PRO 109 2HB PRO 109 -17.908 -9.222 -3.757 871 1HG PRO 109 1HG PRO 109 -18.328 -10.452 -1.102 872 2HG PRO 109 2HG PRO 109 -17.429 -11.076 -2.471 873 1HD PRO 109 1HD PRO 109 -16.337 -9.891 -0.098 874 2HD PRO 109 2HD PRO 109 -15.448 -10.410 -1.516 875 H GLN 110 H GLN 110 -18.489 -8.434 -0.067 876 HA GLN 110 HA GLN 110 -19.836 -5.920 0.107 877 1HB GLN 110 1HB GLN 110 -20.738 -7.032 2.280 878 2HB GLN 110 2HB GLN 110 -21.205 -7.729 0.741 879 1HG GLN 110 1HG GLN 110 -19.759 -9.584 0.983 880 2HG GLN 110 2HG GLN 110 -18.704 -8.750 2.105 881 1HE2 GLN 110 1HE2 GLN 110 -19.952 -11.336 2.363 882 2HE2 GLN 110 2HE2 GLN 110 -20.937 -11.317 3.787 883 H ASN 111 H ASN 111 -16.730 -6.633 0.640 884 HA ASN 111 HA ASN 111 -16.201 -6.072 3.260 885 1HB ASN 111 1HB ASN 111 -14.410 -6.828 1.817 886 2HB ASN 111 2HB ASN 111 -14.662 -5.515 0.685 887 1HD2 ASN 111 1HD2 ASN 111 -12.620 -4.722 0.766 888 2HD2 ASN 111 2HD2 ASN 111 -11.928 -3.925 2.141 889 H ASN 112 H ASN 112 -17.497 -4.068 0.724 890 HA ASN 112 HA ASN 112 -18.133 -1.995 0.648 891 1HB ASN 112 1HB ASN 112 -17.596 -2.284 3.591 892 2HB ASN 112 2HB ASN 112 -17.684 -0.639 2.996 893 1HD2 ASN 112 1HD2 ASN 112 -19.447 -2.491 4.657 894 2HD2 ASN 112 2HD2 ASN 112 -21.035 -2.322 3.987 895 H GLN 113 H GLN 113 -15.294 -2.022 2.951 896 HA GLN 113 HA GLN 113 -14.108 0.245 2.429 897 1HB GLN 113 1HB GLN 113 -13.027 -2.513 2.898 898 2HB GLN 113 2HB GLN 113 -11.869 -1.287 2.421 899 1HG GLN 113 1HG GLN 113 -13.858 -0.640 4.608 900 2HG GLN 113 2HG GLN 113 -12.483 -1.656 4.992 901 1HE2 GLN 113 1HE2 GLN 113 -10.831 -0.625 5.784 902 2HE2 GLN 113 2HE2 GLN 113 -10.312 0.986 5.415 903 H ALA 114 H ALA 114 -14.008 -2.620 0.236 904 HA ALA 114 HA ALA 114 -12.331 -1.281 -1.658 905 1HB ALA 114 1HB ALA 114 -11.996 -3.447 -2.154 906 2HB ALA 114 2HB ALA 114 -13.385 -3.938 -1.154 907 3HB ALA 114 3HB ALA 114 -13.630 -3.487 -2.858 908 H LYS 115 H LYS 115 -15.834 -2.165 -1.394 909 HA LYS 115 HA LYS 115 -16.740 -1.365 -3.802 910 1HB LYS 115 1HB LYS 115 -17.995 -0.997 -1.070 911 2HB LYS 115 2HB LYS 115 -18.856 -0.729 -2.571 912 1HG LYS 115 1HG LYS 115 -17.616 -3.237 -2.941 913 2HG LYS 115 2HG LYS 115 -18.131 -3.265 -1.266 914 1HD LYS 115 1HD LYS 115 -20.258 -3.664 -1.933 915 2HD LYS 115 2HD LYS 115 -20.293 -2.109 -2.738 916 1HE LYS 115 1HE LYS 115 -19.296 -3.131 -4.785 917 2HE LYS 115 2HE LYS 115 -19.216 -4.686 -3.982 918 1HZ LYS 115 1HZ LYS 115 -21.780 -3.931 -3.649 919 2HZ LYS 115 2HZ LYS 115 -21.451 -3.396 -5.156 920 3HZ LYS 115 3HZ LYS 115 -21.240 -4.972 -4.785 921 H GLU 116 H GLU 116 -16.565 0.849 -0.919 922 HA GLU 116 HA GLU 116 -17.227 3.131 -2.119 923 1HB GLU 116 1HB GLU 116 -15.341 2.450 0.116 924 2HB GLU 116 2HB GLU 116 -15.304 4.098 -0.478 925 1HG GLU 116 1HG GLU 116 -18.060 3.483 -0.272 926 2HG GLU 116 2HG GLU 116 -17.344 2.760 1.154 927 H LEU 117 H LEU 117 -13.747 2.125 -1.711 928 HA LEU 117 HA LEU 117 -12.528 3.991 -3.176 929 1HB LEU 117 1HB LEU 117 -11.973 1.337 -2.298 930 2HB LEU 117 2HB LEU 117 -11.386 1.495 -3.942 931 HG LEU 117 HG LEU 117 -10.549 3.012 -1.481 932 1HD1 LEU 117 1HD1 LEU 117 -8.364 2.344 -3.117 933 2HD1 LEU 117 2HD1 LEU 117 -8.863 1.574 -1.591 934 3HD1 LEU 117 3HD1 LEU 117 -9.445 0.929 -3.145 935 1HD2 LEU 117 1HD2 LEU 117 -10.800 4.119 -4.154 936 2HD2 LEU 117 2HD2 LEU 117 -10.385 4.915 -2.617 937 3HD2 LEU 117 3HD2 LEU 117 -9.112 4.135 -3.588 938 H GLU 118 H GLU 118 -13.740 0.886 -4.637 939 HA GLU 118 HA GLU 118 -13.248 1.337 -7.185 940 1HB GLU 118 1HB GLU 118 -14.404 -0.668 -6.339 941 2HB GLU 118 2HB GLU 118 -15.858 0.260 -6.034 942 1HG GLU 118 1HG GLU 118 -15.362 0.850 -8.707 943 2HG GLU 118 2HG GLU 118 -14.804 -0.808 -8.598 944 H ARG 119 H ARG 119 -16.317 2.466 -5.580 945 HA ARG 119 HA ARG 119 -17.166 3.898 -7.783 946 1HB ARG 119 1HB ARG 119 -17.840 3.828 -4.849 947 2HB ARG 119 2HB ARG 119 -18.413 5.216 -5.752 948 1HG ARG 119 1HG ARG 119 -19.036 3.073 -7.445 949 2HG ARG 119 2HG ARG 119 -19.325 2.405 -5.852 950 1HD ARG 119 1HD ARG 119 -20.386 5.140 -6.061 951 2HD ARG 119 2HD ARG 119 -21.057 4.103 -7.305 952 HE ARG 119 HE ARG 119 -21.461 3.848 -4.399 953 1HH1 ARG 119 1HH1 ARG 119 -21.708 2.262 -7.531 954 2HH1 ARG 119 2HH1 ARG 119 -22.879 1.103 -6.994 955 1HH2 ARG 119 1HH2 ARG 119 -23.005 2.320 -3.691 956 2HH2 ARG 119 2HH2 ARG 119 -23.621 1.136 -4.796 957 H LEU 120 H LEU 120 -15.214 4.803 -4.888 958 HA LEU 120 HA LEU 120 -15.181 7.537 -5.231 959 1HB LEU 120 1HB LEU 120 -13.096 5.651 -4.130 960 2HB LEU 120 2HB LEU 120 -12.989 7.397 -4.015 961 HG LEU 120 HG LEU 120 -15.247 5.739 -2.860 962 1HD1 LEU 120 1HD1 LEU 120 -12.760 6.865 -1.551 963 2HD1 LEU 120 2HD1 LEU 120 -14.185 6.281 -0.658 964 3HD1 LEU 120 3HD1 LEU 120 -13.252 5.159 -1.678 965 1HD2 LEU 120 1HD2 LEU 120 -14.619 8.679 -2.849 966 2HD2 LEU 120 2HD2 LEU 120 -16.157 7.845 -3.182 967 3HD2 LEU 120 3HD2 LEU 120 -15.536 7.938 -1.516 968 H ILE 121 H ILE 121 -12.669 5.166 -6.376 969 HA ILE 121 HA ILE 121 -11.234 6.984 -7.869 970 HB ILE 121 HB ILE 121 -11.640 4.012 -8.172 971 1HG1 ILE 121 1HG1 ILE 121 -9.030 4.948 -7.295 972 2HG1 ILE 121 2HG1 ILE 121 -10.298 5.540 -6.240 973 1HG2 ILE 121 1HG2 ILE 121 -9.427 4.173 -9.457 974 2HG2 ILE 121 2HG2 ILE 121 -10.921 4.629 -10.311 975 3HG2 ILE 121 3HG2 ILE 121 -9.831 5.891 -9.685 976 1HD1 ILE 121 1HD1 ILE 121 -9.446 3.310 -5.517 977 2HD1 ILE 121 2HD1 ILE 121 -11.174 3.250 -5.937 978 3HD1 ILE 121 3HD1 ILE 121 -9.959 2.623 -7.076 979 H ASP 122 H ASP 122 -14.142 5.042 -8.724 980 HA ASP 122 HA ASP 122 -14.233 5.388 -11.367 981 1HB ASP 122 1HB ASP 122 -15.950 4.352 -9.660 982 2HB ASP 122 2HB ASP 122 -16.693 5.939 -9.671 983 H LYS 123 H LYS 123 -15.091 7.747 -8.769 984 HA LYS 123 HA LYS 123 -15.919 9.733 -10.685 985 1HB LYS 123 1HB LYS 123 -15.809 9.534 -7.688 986 2HB LYS 123 2HB LYS 123 -15.960 11.109 -8.444 987 1HG LYS 123 1HG LYS 123 -17.805 9.442 -9.825 988 2HG LYS 123 2HG LYS 123 -17.978 9.014 -8.135 989 1HD LYS 123 1HD LYS 123 -19.217 10.886 -7.827 990 2HD LYS 123 2HD LYS 123 -17.789 11.848 -8.157 991 1HE LYS 123 1HE LYS 123 -18.917 12.649 -9.966 992 2HE LYS 123 2HE LYS 123 -18.594 11.100 -10.721 993 1HZ LYS 123 1HZ LYS 123 -21.034 12.110 -10.111 994 2HZ LYS 123 2HZ LYS 123 -20.716 10.573 -10.561 995 3HZ LYS 123 3HZ LYS 123 -20.809 10.956 -8.976 996 H ALA 124 H ALA 124 -13.111 9.015 -8.553 997 HA ALA 124 HA ALA 124 -11.687 11.286 -8.683 998 1HB ALA 124 1HB ALA 124 -9.742 9.923 -8.370 999 2HB ALA 124 2HB ALA 124 -11.098 9.041 -7.625 1000 3HB ALA 124 3HB ALA 124 -10.485 8.548 -9.221 1001 H MET 125 H MET 125 -12.391 9.028 -11.348 1002 HA MET 125 HA MET 125 -10.465 10.156 -13.077 1003 1HB MET 125 1HB MET 125 -13.003 8.568 -13.753 1004 2HB MET 125 2HB MET 125 -11.591 8.737 -14.778 1005 1HG MET 125 1HG MET 125 -10.261 7.327 -13.416 1006 2HG MET 125 2HG MET 125 -11.248 7.594 -11.993 1007 1HE MET 125 1HE MET 125 -10.100 4.947 -13.572 1008 2HE MET 125 2HE MET 125 -11.355 3.982 -14.386 1009 3HE MET 125 3HE MET 125 -10.691 5.430 -15.180 1010 H LYS 126 H LYS 126 -14.041 10.512 -12.639 1011 HA LYS 126 HA LYS 126 -14.124 12.525 -14.708 1012 1HB LYS 126 1HB LYS 126 -16.016 10.792 -13.326 1013 2HB LYS 126 2HB LYS 126 -16.590 12.446 -13.389 1014 1HG LYS 126 1HG LYS 126 -15.378 11.608 -15.943 1015 2HG LYS 126 2HG LYS 126 -16.704 10.561 -15.476 1016 1HD LYS 126 1HD LYS 126 -18.283 12.200 -15.783 1017 2HD LYS 126 2HD LYS 126 -17.279 13.446 -15.068 1018 1HE LYS 126 1HE LYS 126 -16.699 14.204 -17.125 1019 2HE LYS 126 2HE LYS 126 -16.037 12.637 -17.545 1020 1HZ LYS 126 1HZ LYS 126 -18.640 12.183 -17.755 1021 2HZ LYS 126 2HZ LYS 126 -18.592 13.754 -18.194 1022 3HZ LYS 126 3HZ LYS 126 -17.699 12.652 -19.004 1023 H LYS 127 H LYS 127 -12.778 12.573 -11.775 1024 HA LYS 127 HA LYS 127 -14.006 15.101 -10.959 1025 1HB LYS 127 1HB LYS 127 -12.471 12.955 -9.527 1026 2HB LYS 127 2HB LYS 127 -12.436 14.591 -8.901 1027 1HG LYS 127 1HG LYS 127 -14.949 14.628 -8.896 1028 2HG LYS 127 2HG LYS 127 -14.966 12.979 -9.488 1029 1HD LYS 127 1HD LYS 127 -14.239 12.084 -7.457 1030 2HD LYS 127 2HD LYS 127 -13.342 13.523 -7.014 1031 1HE LYS 127 1HE LYS 127 -15.501 14.734 -6.604 1032 2HE LYS 127 2HE LYS 127 -16.390 13.286 -7.031 1033 1HZ LYS 127 1HZ LYS 127 -14.363 13.213 -4.928 1034 2HZ LYS 127 2HZ LYS 127 -15.884 13.711 -4.603 1035 3HZ LYS 127 3HZ LYS 127 -15.622 12.200 -5.165 1036 H SER 128 H SER 128 -12.946 15.983 -13.014 1037 HA SER 128 HA SER 128 -11.431 17.227 -13.943 1038 1HB SER 128 1HB SER 128 -11.286 17.879 -11.220 1039 2HB SER 128 2HB SER 128 -9.609 17.629 -11.661 1040 HG SER 128 HG SER 128 -9.941 19.141 -13.457 1041 H GLY 129 H GLY 129 -10.521 15.624 -15.317 1042 1HA GLY 129 1HA GLY 129 -7.799 15.126 -15.121 1043 2HA GLY 129 2HA GLY 129 -8.605 13.730 -14.433 1044 HA PRO 130 HA PRO 130 -8.620 12.832 -18.809 1045 1HB PRO 130 1HB PRO 130 -8.212 10.140 -18.578 1046 2HB PRO 130 2HB PRO 130 -6.906 11.296 -18.737 1047 1HG PRO 130 1HG PRO 130 -7.807 9.839 -16.328 1048 2HG PRO 130 2HG PRO 130 -6.280 10.651 -16.613 1049 1HD PRO 130 1HD PRO 130 -8.468 11.614 -15.026 1050 2HD PRO 130 2HD PRO 130 -6.989 12.476 -15.407 1051 H SER 131 H SER 131 -9.930 11.321 -20.235 1052 HA SER 131 HA SER 131 -12.211 10.290 -18.866 1053 1HB SER 131 1HB SER 131 -12.544 12.863 -19.368 1054 2HB SER 131 2HB SER 131 -12.793 12.336 -21.021 1055 HG SER 131 HG SER 131 -14.574 12.322 -19.004 1056 H SER 132 H SER 132 -13.009 8.517 -20.000 1057 HA SER 132 HA SER 132 -11.981 8.243 -22.718 1058 1HB SER 132 1HB SER 132 -12.305 5.704 -22.200 1059 2HB SER 132 2HB SER 132 -10.914 6.527 -21.521 1060 HG SER 132 HG SER 132 -12.738 5.153 -20.178 1061 H GLY 133 H GLY 133 -14.364 9.674 -22.279 1062 1HA GLY 133 1HA GLY 133 -16.533 9.759 -22.859 1063 2HA GLY 133 2HA GLY 133 -16.180 8.437 -23.954
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