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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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7656 |
1ktu ![]() ![]() |
5261 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 -40.863 0.920 -1.769 2 2H MET 1 HT2 MET 1 -40.469 -0.725 -1.757 3 3H MET 1 HT3 MET 1 -39.970 0.254 -3.043 4 HA MET 1 HA MET 1 -38.745 1.602 -1.259 5 1HB MET 1 HB2 MET 1 -39.145 -1.076 0.092 6 2HB MET 1 HB1 MET 1 -38.055 0.184 0.654 7 1HG MET 1 HG2 MET 1 -40.379 1.560 0.487 8 2HG MET 1 HG1 MET 1 -40.968 -0.050 0.902 9 1HE MET 1 HE1 MET 1 -41.233 2.626 2.187 10 2HE MET 1 HE2 MET 1 -40.225 3.019 3.579 11 3HE MET 1 HE3 MET 1 -41.552 1.868 3.747 12 H HIS 2 HN HIS 2 -36.934 1.727 -2.398 13 HA HIS 2 HA HIS 2 -35.779 -0.690 -3.567 14 1HB HIS 2 HB2 HIS 2 -34.442 0.827 -4.934 15 2HB HIS 2 HB1 HIS 2 -36.146 1.255 -5.036 16 HD1 HIS 2 HD1 HIS 2 -36.065 2.824 -2.214 17 HD2 HIS 2 HD2 HIS 2 -33.599 3.423 -5.504 18 HE1 HIS 2 HE1 HIS 2 -35.210 5.178 -1.993 19 HE2 HIS 2 HE2 HIS 2 -33.635 5.479 -3.936 20 H HIS 3 HN HIS 3 -33.129 0.281 -3.811 21 HA HIS 3 HA HIS 3 -31.124 0.330 -2.750 22 1HB HIS 3 HB2 HIS 3 -32.903 1.546 -0.686 23 2HB HIS 3 HB1 HIS 3 -31.282 1.058 -0.206 24 HD1 HIS 3 HD1 HIS 3 -32.972 3.936 -1.261 25 HD2 HIS 3 HD2 HIS 3 -29.347 2.207 -2.328 26 HE1 HIS 3 HE1 HIS 3 -31.624 5.788 -2.300 27 HE2 HIS 3 HE2 HIS 3 -29.448 4.710 -2.972 28 H HIS 4 HN HIS 4 -33.106 -0.603 0.050 29 HA HIS 4 HA HIS 4 -33.161 -2.481 1.327 30 1HB HIS 4 HB2 HIS 4 -32.286 -3.683 -1.295 31 2HB HIS 4 HB1 HIS 4 -32.514 -4.667 0.147 32 HD1 HIS 4 HD1 HIS 4 -34.237 -4.767 -2.556 33 HD2 HIS 4 HD2 HIS 4 -35.344 -3.006 1.042 34 HE1 HIS 4 HE1 HIS 4 -36.751 -4.702 -2.584 35 HE2 HIS 4 HE2 HIS 4 -37.399 -3.713 -0.360 36 H HIS 5 HN HIS 5 -31.576 -4.564 1.808 37 HA HIS 5 HA HIS 5 -29.172 -3.311 2.803 38 1HB HIS 5 HB2 HIS 5 -30.036 -6.196 3.068 39 2HB HIS 5 HB1 HIS 5 -28.819 -5.365 4.032 40 HD1 HIS 5 HD1 HIS 5 -32.489 -4.683 3.242 41 HD2 HIS 5 HD2 HIS 5 -29.853 -4.785 6.452 42 HE1 HIS 5 HE1 HIS 5 -33.862 -4.071 5.258 43 HE2 HIS 5 HE2 HIS 5 -32.228 -4.062 7.176 44 H HIS 6 HN HIS 6 -27.046 -4.395 2.590 45 HA HIS 6 HA HIS 6 -26.715 -5.806 0.037 46 1HB HIS 6 HB2 HIS 6 -25.375 -3.263 0.904 47 2HB HIS 6 HB1 HIS 6 -24.554 -4.369 -0.193 48 HD1 HIS 6 HD1 HIS 6 -27.838 -2.463 0.006 49 HD2 HIS 6 HD2 HIS 6 -25.185 -3.992 -2.804 50 HE1 HIS 6 HE1 HIS 6 -28.699 -1.685 -2.226 51 HE2 HIS 6 HE2 HIS 6 -27.023 -2.541 -3.901 52 H HIS 7 HN HIS 7 -24.212 -6.401 -0.125 53 HA HIS 7 HA HIS 7 -23.071 -7.139 2.438 54 1HB HIS 7 HB2 HIS 7 -24.764 -8.952 1.273 55 2HB HIS 7 HB1 HIS 7 -23.205 -9.453 0.628 56 HD1 HIS 7 HD1 HIS 7 -22.741 -11.503 1.976 57 HD2 HIS 7 HD2 HIS 7 -23.852 -8.275 4.345 58 HE1 HIS 7 HE1 HIS 7 -22.403 -12.263 4.349 59 HE2 HIS 7 HE2 HIS 7 -23.103 -10.302 5.767 60 H GLY 8 HN GLY 8 -22.825 -7.886 -1.046 61 1HA GLY 8 HA2 GLY 8 -19.909 -7.531 -0.847 62 2HA GLY 8 HA1 GLY 8 -20.746 -8.389 -2.132 63 H SER 9 HN SER 9 -20.764 -5.132 -0.686 64 HA SER 9 HA SER 9 -20.987 -4.016 -3.395 65 1HB SER 9 HB2 SER 9 -22.134 -2.192 -2.515 66 2HB SER 9 HB1 SER 9 -22.696 -3.509 -1.487 67 HG SER 9 HG SER 9 -21.690 -1.327 -0.636 68 H THR 10 HN THR 10 -20.069 -1.594 -3.307 69 HA THR 10 HA THR 10 -17.288 -1.802 -3.345 70 HB THR 10 HB THR 10 -17.680 0.889 -3.030 71 HG1 THR 10 HG1 THR 10 -19.703 1.148 -4.344 72 1HG2 THR 10 HG21 THR 10 -16.609 -0.390 -4.921 73 2HG2 THR 10 HG22 THR 10 -17.542 1.025 -5.409 74 3HG2 THR 10 HG23 THR 10 -18.224 -0.590 -5.602 75 H LYS 11 HN LYS 11 -15.792 -0.278 -2.036 76 HA LYS 11 HA LYS 11 -16.632 -0.300 0.776 77 1HB LYS 11 HB2 LYS 11 -14.820 -2.048 -0.181 78 2HB LYS 11 HB1 LYS 11 -13.756 -0.711 0.231 79 1HG LYS 11 HG2 LYS 11 -14.370 -0.801 2.526 80 2HG LYS 11 HG1 LYS 11 -15.725 -1.883 2.178 81 1HD LYS 11 HD2 LYS 11 -13.921 -3.494 1.282 82 2HD LYS 11 HD1 LYS 11 -12.787 -2.468 2.158 83 1HE LYS 11 HE2 LYS 11 -13.581 -3.091 4.211 84 2HE LYS 11 HE1 LYS 11 -15.199 -3.437 3.601 85 1HZ LYS 11 HZ1 LYS 11 -13.815 -5.408 4.281 86 2HZ LYS 11 HZ2 LYS 11 -12.853 -5.113 2.922 87 3HZ LYS 11 HZ3 LYS 11 -14.492 -5.487 2.732 88 H THR 12 HN THR 12 -15.842 1.246 2.141 89 HA THR 12 HA THR 12 -14.931 3.700 0.834 90 HB THR 12 HB THR 12 -15.291 3.962 3.681 91 HG1 THR 12 HG1 THR 12 -17.796 3.574 3.073 92 1HG2 THR 12 HG21 THR 12 -16.223 5.213 1.181 93 2HG2 THR 12 HG22 THR 12 -15.667 5.952 2.682 94 3HG2 THR 12 HG23 THR 12 -17.326 5.369 2.548 95 H ASN 13 HN ASN 13 -12.914 4.486 1.152 96 HA ASN 13 HA ASN 13 -10.753 3.037 1.902 97 1HB ASN 13 HB2 ASN 13 -11.288 5.995 2.256 98 2HB ASN 13 HB1 ASN 13 -9.715 5.281 2.593 99 1HD2 ASN 13 HD21 ASN 13 -11.044 7.106 0.439 100 2HD2 ASN 13 HD22 ASN 13 -10.390 6.473 -1.023 101 H SER 14 HN SER 14 -12.988 4.652 4.089 102 HA SER 14 HA SER 14 -11.411 4.376 6.409 103 1HB SER 14 HB2 SER 14 -14.413 4.572 6.075 104 2HB SER 14 HB1 SER 14 -13.590 4.638 7.633 105 HG SER 14 HG SER 14 -12.688 6.552 7.088 106 H GLU 15 HN GLU 15 -13.997 2.355 5.054 107 HA GLU 15 HA GLU 15 -13.793 0.329 7.043 108 1HB GLU 15 HB2 GLU 15 -15.392 0.848 4.677 109 2HB GLU 15 HB1 GLU 15 -14.947 -0.849 4.806 110 1HG GLU 15 HG2 GLU 15 -15.806 -0.765 7.177 111 2HG GLU 15 HG1 GLU 15 -16.473 0.818 6.783 112 H ILE 16 HN ILE 16 -12.370 0.788 3.864 113 HA ILE 16 HA ILE 16 -11.250 -1.844 3.736 114 HB ILE 16 HB ILE 16 -9.840 0.052 2.075 115 1HG1 ILE 16 HG12 ILE 16 -12.836 0.066 1.893 116 2HG1 ILE 16 HG11 ILE 16 -11.803 1.399 2.396 117 1HG2 ILE 16 HG21 ILE 16 -9.831 -2.075 1.262 118 2HG2 ILE 16 HG22 ILE 16 -11.203 -1.420 0.364 119 3HG2 ILE 16 HG23 ILE 16 -11.476 -2.403 1.802 120 1HD1 ILE 16 HD11 ILE 16 -12.707 1.321 -0.029 121 2HD1 ILE 16 HD12 ILE 16 -11.415 0.144 -0.282 122 3HD1 ILE 16 HD13 ILE 16 -11.028 1.780 0.257 123 H LEU 17 HN LEU 17 -10.356 1.203 5.039 124 HA LEU 17 HA LEU 17 -7.556 0.714 5.316 125 1HB LEU 17 HB2 LEU 17 -7.579 2.870 5.941 126 2HB LEU 17 HB1 LEU 17 -9.324 2.859 5.774 127 HG LEU 17 HG LEU 17 -9.283 1.948 8.219 128 1HD1 LEU 17 HD11 LEU 17 -7.305 3.290 9.344 129 2HD1 LEU 17 HD12 LEU 17 -6.516 2.952 7.803 130 3HD1 LEU 17 HD13 LEU 17 -7.099 1.623 8.806 131 1HD2 LEU 17 HD21 LEU 17 -8.968 4.734 7.216 132 2HD2 LEU 17 HD22 LEU 17 -9.000 4.447 8.956 133 3HD2 LEU 17 HD23 LEU 17 -10.365 3.951 7.956 134 H GLU 18 HN GLU 18 -10.426 0.189 7.174 135 HA GLU 18 HA GLU 18 -9.349 -0.611 9.627 136 1HB GLU 18 HB2 GLU 18 -11.631 -0.115 9.641 137 2HB GLU 18 HB1 GLU 18 -11.947 -1.053 8.181 138 1HG GLU 18 HG2 GLU 18 -11.522 -3.119 9.503 139 2HG GLU 18 HG1 GLU 18 -11.388 -2.116 10.947 140 H GLN 19 HN GLN 19 -10.372 -2.492 6.805 141 HA GLN 19 HA GLN 19 -9.423 -4.951 7.970 142 1HB GLN 19 HB2 GLN 19 -10.128 -5.953 5.805 143 2HB GLN 19 HB1 GLN 19 -11.411 -5.078 6.626 144 1HG GLN 19 HG2 GLN 19 -11.746 -4.232 4.577 145 2HG GLN 19 HG1 GLN 19 -10.473 -3.116 5.075 146 1HE2 GLN 19 HE21 GLN 19 -9.600 -2.727 3.122 147 2HE2 GLN 19 HE22 GLN 19 -8.817 -3.923 2.153 148 H LEU 20 HN LEU 20 -8.307 -2.474 5.815 149 HA LEU 20 HA LEU 20 -6.371 -3.677 4.302 150 1HB LEU 20 HB2 LEU 20 -6.892 -1.062 5.138 151 2HB LEU 20 HB1 LEU 20 -5.231 -1.370 5.642 152 HG LEU 20 HG LEU 20 -5.675 -2.293 2.947 153 1HD1 LEU 20 HD11 LEU 20 -6.988 -0.683 2.142 154 2HD1 LEU 20 HD12 LEU 20 -5.669 0.445 2.454 155 3HD1 LEU 20 HD13 LEU 20 -6.935 0.213 3.660 156 1HD2 LEU 20 HD21 LEU 20 -3.572 -1.562 2.697 157 2HD2 LEU 20 HD22 LEU 20 -3.599 -1.397 4.452 158 3HD2 LEU 20 HD23 LEU 20 -3.918 0.004 3.428 159 H LYS 21 HN LYS 21 -5.876 -2.429 7.583 160 HA LYS 21 HA LYS 21 -3.360 -3.706 7.848 161 1HB LYS 21 HB2 LYS 21 -5.019 -1.769 9.197 162 2HB LYS 21 HB1 LYS 21 -4.250 -2.857 10.314 163 1HG LYS 21 HG2 LYS 21 -2.453 -1.894 8.252 164 2HG LYS 21 HG1 LYS 21 -3.155 -0.604 9.224 165 1HD LYS 21 HD2 LYS 21 -2.069 -3.017 10.594 166 2HD LYS 21 HD1 LYS 21 -0.944 -1.798 9.989 167 1HE LYS 21 HE2 LYS 21 -1.283 -0.769 11.948 168 2HE LYS 21 HE1 LYS 21 -2.834 -0.280 11.266 169 1HZ LYS 21 HZ1 LYS 21 -2.669 -2.897 12.566 170 2HZ LYS 21 HZ2 LYS 21 -3.961 -1.809 12.493 171 3HZ LYS 21 HZ3 LYS 21 -2.677 -1.524 13.556 172 H GLN 22 HN GLN 22 -6.674 -4.490 8.595 173 HA GLN 22 HA GLN 22 -6.297 -6.321 10.656 174 1HB GLN 22 HB2 GLN 22 -8.356 -5.858 8.593 175 2HB GLN 22 HB1 GLN 22 -8.312 -7.488 9.250 176 1HG GLN 22 HG2 GLN 22 -8.180 -6.015 11.519 177 2HG GLN 22 HG1 GLN 22 -9.159 -4.970 10.490 178 1HE2 GLN 22 HE21 GLN 22 -11.207 -5.233 10.988 179 2HE2 GLN 22 HE22 GLN 22 -12.006 -6.739 11.262 180 H ALA 23 HN ALA 23 -5.255 -6.443 7.402 181 HA ALA 23 HA ALA 23 -4.571 -9.299 7.711 182 1HB ALA 23 HB1 ALA 23 -5.022 -9.741 5.501 183 2HB ALA 23 HB2 ALA 23 -4.794 -8.064 5.006 184 3HB ALA 23 HB3 ALA 23 -6.265 -8.540 5.854 185 H SER 24 HN SER 24 -3.622 -6.114 6.663 186 HA SER 24 HA SER 24 -1.033 -6.802 5.703 187 1HB SER 24 HB2 SER 24 -0.845 -4.579 5.190 188 2HB SER 24 HB1 SER 24 -2.592 -4.634 5.404 189 HG SER 24 HG SER 24 -1.973 -4.134 7.726 190 H ASP 25 HN ASP 25 -2.290 -5.555 8.773 191 HA ASP 25 HA ASP 25 0.106 -5.002 10.048 192 1HB ASP 25 HB2 ASP 25 -2.310 -4.496 10.796 193 2HB ASP 25 HB1 ASP 25 -2.252 -6.087 11.549 194 H GLY 26 HN GLY 26 -0.862 -7.930 8.948 195 1HA GLY 26 HA2 GLY 26 0.296 -9.518 11.104 196 2HA GLY 26 HA1 GLY 26 -0.488 -10.143 9.660 197 H LEU 27 HN LEU 27 1.220 -8.140 8.110 198 HA LEU 27 HA LEU 27 3.684 -9.751 8.100 199 1HB LEU 27 HB2 LEU 27 2.245 -8.409 5.814 200 2HB LEU 27 HB1 LEU 27 3.842 -9.121 5.684 201 HG LEU 27 HG LEU 27 1.995 -11.036 6.793 202 1HD1 LEU 27 HD11 LEU 27 0.579 -11.326 4.812 203 2HD1 LEU 27 HD12 LEU 27 1.231 -9.833 4.137 204 3HD1 LEU 27 HD13 LEU 27 0.278 -9.787 5.620 205 1HD2 LEU 27 HD21 LEU 27 4.113 -10.839 4.837 206 2HD2 LEU 27 HD22 LEU 27 2.784 -11.840 4.253 207 3HD2 LEU 27 HD23 LEU 27 3.575 -12.229 5.780 208 H LEU 28 HN LEU 28 5.118 -8.548 9.198 209 HA LEU 28 HA LEU 28 5.173 -5.710 9.161 210 1HB LEU 28 HB2 LEU 28 6.162 -7.524 10.844 211 2HB LEU 28 HB1 LEU 28 7.606 -7.255 9.888 212 HG LEU 28 HG LEU 28 6.551 -4.709 10.578 213 1HD1 LEU 28 HD11 LEU 28 6.839 -6.579 12.925 214 2HD1 LEU 28 HD12 LEU 28 5.348 -5.806 12.386 215 3HD1 LEU 28 HD13 LEU 28 6.670 -4.826 13.021 216 1HD2 LEU 28 HD21 LEU 28 8.931 -5.987 11.860 217 2HD2 LEU 28 HD22 LEU 28 8.701 -4.317 11.341 218 3HD2 LEU 28 HD23 LEU 28 8.935 -5.588 10.142 219 H PHE 29 HN PHE 29 6.900 -4.358 8.355 220 HA PHE 29 HA PHE 29 8.277 -5.477 6.014 221 1HB PHE 29 HB2 PHE 29 6.241 -3.655 5.834 222 2HB PHE 29 HB1 PHE 29 7.644 -2.596 5.921 223 HD1 PHE 29 HD1 PHE 29 5.870 -5.085 3.932 224 HD2 PHE 29 HD2 PHE 29 9.321 -2.604 4.160 225 HE1 PHE 29 HE1 PHE 29 6.289 -5.454 1.534 226 HE2 PHE 29 HE2 PHE 29 9.746 -2.971 1.764 227 HZ PHE 29 HZ PHE 29 8.229 -4.397 0.449 228 H MET 30 HN MET 30 10.212 -5.736 6.979 229 HA MET 30 HA MET 30 11.422 -3.360 8.230 230 1HB MET 30 HB2 MET 30 12.989 -5.522 8.915 231 2HB MET 30 HB1 MET 30 11.794 -4.759 9.938 232 1HG MET 30 HG2 MET 30 11.372 -7.078 10.000 233 2HG MET 30 HG1 MET 30 10.114 -6.361 8.996 234 1HE MET 30 HE1 MET 30 13.663 -7.354 8.846 235 2HE MET 30 HE2 MET 30 13.911 -7.830 7.166 236 3HE MET 30 HE3 MET 30 13.466 -9.040 8.370 237 H SER 31 HN SER 31 12.104 -2.504 6.258 238 HA SER 31 HA SER 31 13.784 -3.983 4.462 239 1HB SER 31 HB2 SER 31 12.763 -1.185 4.671 240 2HB SER 31 HB1 SER 31 14.161 -1.496 3.633 241 HG SER 31 HG SER 31 12.700 -2.057 2.227 242 H GLU 32 HN GLU 32 14.853 -0.803 5.268 243 HA GLU 32 HA GLU 32 17.436 -1.847 6.053 244 1HB GLU 32 HB2 GLU 32 16.739 1.074 6.076 245 2HB GLU 32 HB1 GLU 32 18.278 0.299 5.720 246 1HG GLU 32 HG2 GLU 32 15.840 0.323 3.956 247 2HG GLU 32 HG1 GLU 32 17.338 1.217 3.703 248 H SER 33 HN SER 33 14.543 -0.969 7.448 249 HA SER 33 HA SER 33 15.758 -0.812 10.120 250 1HB SER 33 HB2 SER 33 14.478 1.298 9.002 251 2HB SER 33 HB1 SER 33 13.097 0.454 9.702 252 HG SER 33 HG SER 33 14.502 2.069 10.996 253 H GLU 34 HN GLU 34 12.746 -0.696 10.906 254 HA GLU 34 HA GLU 34 11.699 -3.245 10.175 255 1HB GLU 34 HB2 GLU 34 13.356 -3.989 11.819 256 2HB GLU 34 HB1 GLU 34 12.723 -2.847 12.998 257 1HG GLU 34 HG2 GLU 34 10.536 -4.072 12.853 258 2HG GLU 34 HG1 GLU 34 11.371 -5.293 11.895 259 H TYR 35 HN TYR 35 9.750 -2.387 9.739 260 HA TYR 35 HA TYR 35 8.323 -1.123 11.957 261 1HB TYR 35 HB2 TYR 35 8.840 0.007 9.223 262 2HB TYR 35 HB1 TYR 35 7.438 0.508 10.167 263 HD1 TYR 35 HD1 TYR 35 7.678 1.985 12.045 264 HD2 TYR 35 HD2 TYR 35 11.118 0.463 10.057 265 HE1 TYR 35 HE1 TYR 35 9.083 3.609 13.244 266 HE2 TYR 35 HE2 TYR 35 12.534 2.084 11.242 267 HH TYR 35 HH TYR 35 11.884 3.516 13.863 268 HA PRO 36 HA PRO 36 4.987 -3.592 10.346 269 1HB PRO 36 HB2 PRO 36 3.147 -2.604 12.204 270 2HB PRO 36 HB1 PRO 36 4.237 -3.968 12.449 271 1HG PRO 36 HG2 PRO 36 4.301 -1.478 13.787 272 2HG PRO 36 HG1 PRO 36 5.510 -2.768 13.877 273 1HD PRO 36 HD2 PRO 36 5.526 -0.264 12.275 274 2HD PRO 36 HD1 PRO 36 6.886 -1.189 12.947 275 H PHE 37 HN PHE 37 3.069 -3.412 9.178 276 HA PHE 37 HA PHE 37 2.706 -1.098 7.646 277 1HB PHE 37 HB2 PHE 37 0.951 -3.497 8.148 278 2HB PHE 37 HB1 PHE 37 0.433 -2.188 7.099 279 HD1 PHE 37 HD1 PHE 37 0.651 -5.011 6.274 280 HD2 PHE 37 HD2 PHE 37 3.495 -1.852 6.151 281 HE1 PHE 37 HE1 PHE 37 1.789 -6.126 4.386 282 HE2 PHE 37 HE2 PHE 37 4.642 -2.950 4.268 283 HZ PHE 37 HZ PHE 37 3.790 -5.087 3.384 284 H GLU 38 HN GLU 38 1.013 0.406 7.574 285 HA GLU 38 HA GLU 38 -0.979 0.573 9.648 286 1HB GLU 38 HB2 GLU 38 1.439 1.659 10.357 287 2HB GLU 38 HB1 GLU 38 0.637 3.038 9.615 288 1HG GLU 38 HG2 GLU 38 -0.048 3.310 11.760 289 2HG GLU 38 HG1 GLU 38 -1.351 2.278 11.170 290 H VAL 39 HN VAL 39 -2.528 0.743 8.231 291 HA VAL 39 HA VAL 39 -2.280 2.418 5.942 292 HB VAL 39 HB VAL 39 -3.669 0.712 5.414 293 1HG1 VAL 39 HG11 VAL 39 -3.994 -0.510 7.325 294 2HG1 VAL 39 HG12 VAL 39 -5.626 0.096 7.044 295 3HG1 VAL 39 HG13 VAL 39 -4.589 0.877 8.238 296 1HG2 VAL 39 HG21 VAL 39 -5.800 1.539 4.957 297 2HG2 VAL 39 HG22 VAL 39 -4.787 2.976 5.069 298 3HG2 VAL 39 HG23 VAL 39 -5.829 2.526 6.418 299 H PHE 40 HN PHE 40 -3.324 4.239 5.468 300 HA PHE 40 HA PHE 40 -4.943 5.541 7.404 301 1HB PHE 40 HB2 PHE 40 -3.549 7.573 7.623 302 2HB PHE 40 HB1 PHE 40 -2.792 6.155 8.325 303 HD1 PHE 40 HD1 PHE 40 -1.821 5.026 5.585 304 HD2 PHE 40 HD2 PHE 40 -1.567 8.847 7.435 305 HE1 PHE 40 HE1 PHE 40 0.219 5.492 4.312 306 HE2 PHE 40 HE2 PHE 40 0.484 9.324 6.163 307 HZ PHE 40 HZ PHE 40 1.380 7.647 4.598 308 H LEU 41 HN LEU 41 -6.411 6.775 6.412 309 HA LEU 41 HA LEU 41 -6.326 6.941 3.547 310 1HB LEU 41 HB2 LEU 41 -8.543 7.002 3.699 311 2HB LEU 41 HB1 LEU 41 -8.324 6.703 5.410 312 HG LEU 41 HG LEU 41 -8.164 9.370 5.453 313 1HD1 LEU 41 HD11 LEU 41 -8.442 9.412 2.957 314 2HD1 LEU 41 HD12 LEU 41 -9.587 10.405 3.863 315 3HD1 LEU 41 HD13 LEU 41 -10.094 8.847 3.207 316 1HD2 LEU 41 HD21 LEU 41 -10.486 7.500 5.565 317 2HD2 LEU 41 HD22 LEU 41 -10.769 9.237 5.693 318 3HD2 LEU 41 HD23 LEU 41 -9.722 8.426 6.859 319 H TRP 42 HN TRP 42 -6.124 8.710 2.257 320 HA TRP 42 HA TRP 42 -5.172 11.154 3.581 321 1HB TRP 42 HB2 TRP 42 -4.664 9.953 0.865 322 2HB TRP 42 HB1 TRP 42 -4.239 11.622 1.236 323 HD1 TRP 42 HD1 TRP 42 -3.650 8.310 3.189 324 HE1 TRP 42 HE1 TRP 42 -1.156 8.202 3.830 325 HE3 TRP 42 HE3 TRP 42 -2.105 12.648 0.998 326 HZ2 TRP 42 HZ2 TRP 42 1.171 9.791 3.443 327 HZ3 TRP 42 HZ3 TRP 42 0.260 13.289 1.160 328 HH2 TRP 42 HH2 TRP 42 1.866 11.890 2.366 329 H GLU 43 HN GLU 43 -6.810 12.534 3.840 330 HA GLU 43 HA GLU 43 -9.127 12.642 2.246 331 1HB GLU 43 HB2 GLU 43 -9.662 14.686 3.459 332 2HB GLU 43 HB1 GLU 43 -9.067 13.449 4.558 333 1HG GLU 43 HG2 GLU 43 -7.020 14.532 4.855 334 2HG GLU 43 HG1 GLU 43 -7.253 15.542 3.430 335 H GLY 44 HN GLY 44 -6.113 14.480 2.142 336 1HA GLY 44 HA2 GLY 44 -7.059 16.288 0.112 337 2HA GLY 44 HA1 GLY 44 -5.398 16.118 0.665 338 H SER 45 HN SER 45 -6.465 13.103 -0.016 339 HA SER 45 HA SER 45 -5.220 13.141 -2.660 340 1HB SER 45 HB2 SER 45 -5.525 11.032 -0.558 341 2HB SER 45 HB1 SER 45 -5.103 10.609 -2.214 342 HG SER 45 HG SER 45 -3.291 11.997 -2.019 343 H ALA 46 HN ALA 46 -6.008 11.130 -3.995 344 HA ALA 46 HA ALA 46 -8.306 9.871 -4.216 345 1HB ALA 46 HB1 ALA 46 -9.737 11.693 -3.628 346 2HB ALA 46 HB2 ALA 46 -9.918 11.468 -5.367 347 3HB ALA 46 HB3 ALA 46 -8.923 12.786 -4.748 348 HA PRO 47 HA PRO 47 -6.870 9.195 -8.369 349 1HB PRO 47 HB2 PRO 47 -9.452 10.133 -9.528 350 2HB PRO 47 HB1 PRO 47 -8.567 8.633 -9.825 351 1HG PRO 47 HG2 PRO 47 -10.767 8.671 -8.304 352 2HG PRO 47 HG1 PRO 47 -9.399 7.609 -7.930 353 1HD PRO 47 HD2 PRO 47 -10.277 10.113 -6.587 354 2HD PRO 47 HD1 PRO 47 -9.460 8.692 -5.908 355 HA PRO 48 HA PRO 48 -6.053 13.581 -9.047 356 1HB PRO 48 HB2 PRO 48 -3.307 12.972 -9.588 357 2HB PRO 48 HB1 PRO 48 -4.004 13.774 -8.188 358 1HG PRO 48 HG2 PRO 48 -2.867 11.250 -8.167 359 2HG PRO 48 HG1 PRO 48 -3.998 11.872 -6.961 360 1HD PRO 48 HD2 PRO 48 -4.494 10.032 -9.258 361 2HD PRO 48 HD1 PRO 48 -5.227 10.040 -7.640 362 H VAL 49 HN VAL 49 -4.665 12.346 -12.733 363 HA VAL 49 HA VAL 49 -3.764 11.259 -10.178 364 HB VAL 49 HB VAL 49 -4.451 9.292 -10.713 365 1HG1 VAL 49 HG11 VAL 49 -5.087 9.990 -13.552 366 2HG1 VAL 49 HG12 VAL 49 -6.060 10.603 -12.215 367 3HG1 VAL 49 HG13 VAL 49 -5.915 8.865 -12.476 368 1HG2 VAL 49 HG21 VAL 49 -2.240 8.860 -11.566 369 2HG2 VAL 49 HG22 VAL 49 -2.695 9.487 -13.150 370 3HG2 VAL 49 HG23 VAL 49 -3.420 7.996 -12.551 371 H THR 50 HN THR 50 -1.697 11.324 -9.753 372 HA THR 50 HA THR 50 0.192 11.210 -11.924 373 HB THR 50 HB THR 50 0.346 13.552 -10.026 374 HG1 THR 50 HG1 THR 50 -0.184 14.112 -12.664 375 1HG2 THR 50 HG21 THR 50 2.355 12.465 -11.400 376 2HG2 THR 50 HG22 THR 50 2.219 14.206 -11.153 377 3HG2 THR 50 HG23 THR 50 1.690 13.486 -12.674 378 H HIS 51 HN HIS 51 2.166 10.405 -11.328 379 HA HIS 51 HA HIS 51 2.300 9.172 -8.735 380 1HB HIS 51 HB2 HIS 51 4.520 9.254 -10.775 381 2HB HIS 51 HB1 HIS 51 4.225 8.036 -9.538 382 HD1 HIS 51 HD1 HIS 51 2.226 6.370 -9.992 383 HD2 HIS 51 HD2 HIS 51 3.230 8.844 -13.176 384 HE1 HIS 51 HE1 HIS 51 1.121 5.352 -12.009 385 HE2 HIS 51 HE2 HIS 51 1.854 6.792 -13.941 386 H GLU 52 HN GLU 52 2.334 11.021 -7.382 387 HA GLU 52 HA GLU 52 4.617 11.747 -6.168 388 1HB GLU 52 HB2 GLU 52 5.312 13.905 -7.071 389 2HB GLU 52 HB1 GLU 52 5.469 12.651 -8.292 390 1HG GLU 52 HG2 GLU 52 3.019 13.502 -8.896 391 2HG GLU 52 HG1 GLU 52 3.657 14.982 -8.183 392 H ILE 53 HN ILE 53 1.500 12.415 -7.130 393 HA ILE 53 HA ILE 53 0.705 14.755 -6.070 394 HB ILE 53 HB ILE 53 -0.668 12.099 -6.039 395 1HG1 ILE 53 HG12 ILE 53 -0.038 13.343 -8.142 396 2HG1 ILE 53 HG11 ILE 53 -1.718 12.835 -7.971 397 1HG2 ILE 53 HG21 ILE 53 -1.570 13.529 -4.215 398 2HG2 ILE 53 HG22 ILE 53 -2.746 13.143 -5.475 399 3HG2 ILE 53 HG23 ILE 53 -1.990 14.735 -5.434 400 1HD1 ILE 53 HD11 ILE 53 -1.724 15.018 -8.889 401 2HD1 ILE 53 HD12 ILE 53 -0.596 15.601 -7.665 402 3HD1 ILE 53 HD13 ILE 53 -2.242 15.161 -7.209 403 H VAL 54 HN VAL 54 0.471 11.759 -4.260 404 HA VAL 54 HA VAL 54 -0.163 12.798 -1.785 405 HB VAL 54 HB VAL 54 1.172 10.332 -2.709 406 1HG1 VAL 54 HG11 VAL 54 1.779 11.534 -0.082 407 2HG1 VAL 54 HG12 VAL 54 2.709 10.394 -1.053 408 3HG1 VAL 54 HG13 VAL 54 1.353 9.822 -0.082 409 1HG2 VAL 54 HG21 VAL 54 -0.872 9.587 -2.281 410 2HG2 VAL 54 HG22 VAL 54 -1.320 11.147 -1.591 411 3HG2 VAL 54 HG23 VAL 54 -0.613 9.899 -0.565 412 H LEU 55 HN LEU 55 2.891 12.597 -3.421 413 HA LEU 55 HA LEU 55 4.511 13.465 -1.265 414 1HB LEU 55 HB2 LEU 55 4.889 13.175 -4.212 415 2HB LEU 55 HB1 LEU 55 6.164 13.749 -3.167 416 HG LEU 55 HG LEU 55 4.783 11.186 -2.517 417 1HD1 LEU 55 HD11 LEU 55 7.218 10.946 -4.130 418 2HD1 LEU 55 HD12 LEU 55 5.782 11.485 -5.000 419 3HD1 LEU 55 HD13 LEU 55 5.757 9.960 -4.113 420 1HD2 LEU 55 HD21 LEU 55 7.580 11.107 -2.144 421 2HD2 LEU 55 HD22 LEU 55 6.313 11.157 -0.918 422 3HD2 LEU 55 HD23 LEU 55 7.010 12.658 -1.528 423 H GLN 56 HN GLN 56 2.833 15.145 -3.853 424 HA GLN 56 HA GLN 56 4.089 17.661 -3.452 425 1HB GLN 56 HB2 GLN 56 1.239 17.451 -4.345 426 2HB GLN 56 HB1 GLN 56 2.507 18.531 -4.911 427 1HG GLN 56 HG2 GLN 56 2.407 15.575 -5.458 428 2HG GLN 56 HG1 GLN 56 1.838 16.820 -6.563 429 1HE2 GLN 56 HE21 GLN 56 4.509 15.130 -5.344 430 2HE2 GLN 56 HE22 GLN 56 5.731 15.869 -6.309 431 H GLN 57 HN GLN 57 2.046 15.845 -1.550 432 HA GLN 57 HA GLN 57 0.814 18.112 -0.175 433 1HB GLN 57 HB2 GLN 57 0.302 15.402 0.842 434 2HB GLN 57 HB1 GLN 57 -0.835 16.676 0.405 435 1HG GLN 57 HG2 GLN 57 0.607 15.372 -1.809 436 2HG GLN 57 HG1 GLN 57 -0.595 14.387 -0.996 437 1HE2 GLN 57 HE21 GLN 57 -1.351 14.513 -3.203 438 2HE2 GLN 57 HE22 GLN 57 -2.472 15.773 -3.612 439 H THR 58 HN THR 58 3.137 15.536 0.301 440 HA THR 58 HA THR 58 3.620 16.408 3.060 441 HB THR 58 HB THR 58 5.382 14.324 2.519 442 HG1 THR 58 HG1 THR 58 3.994 14.065 0.556 443 1HG2 THR 58 HG21 THR 58 2.618 14.158 3.726 444 2HG2 THR 58 HG22 THR 58 4.074 14.675 4.575 445 3HG2 THR 58 HG23 THR 58 3.940 13.019 3.985 446 H GLY 59 HN GLY 59 5.712 15.286 0.412 447 1HA GLY 59 HA2 GLY 59 7.522 17.543 1.017 448 2HA GLY 59 HA1 GLY 59 8.100 15.942 0.572 449 H HIS 60 HN HIS 60 7.143 15.128 -1.559 450 HA HIS 60 HA HIS 60 6.111 16.506 -3.609 451 1HB HIS 60 HB2 HIS 60 8.400 17.869 -2.937 452 2HB HIS 60 HB1 HIS 60 8.882 16.882 -4.301 453 HD1 HIS 60 HD1 HIS 60 5.976 19.203 -3.485 454 HD2 HIS 60 HD2 HIS 60 8.456 18.158 -6.652 455 HE1 HIS 60 HE1 HIS 60 5.287 20.685 -5.395 456 HE2 HIS 60 HE2 HIS 60 6.761 19.995 -7.319 457 H GLY 61 HN GLY 61 8.616 14.452 -2.584 458 1HA GLY 61 HA2 GLY 61 9.178 12.320 -3.256 459 2HA GLY 61 HA1 GLY 61 7.879 12.407 -4.429 460 H GLN 62 HN GLN 62 8.267 13.524 -6.375 461 HA GLN 62 HA GLN 62 10.810 12.839 -7.466 462 1HB GLN 62 HB2 GLN 62 9.632 13.926 -9.562 463 2HB GLN 62 HB1 GLN 62 9.164 12.342 -8.940 464 1HG GLN 62 HG2 GLN 62 7.125 13.358 -9.314 465 2HG GLN 62 HG1 GLN 62 7.376 13.624 -7.598 466 1HE2 GLN 62 HE21 GLN 62 5.950 15.292 -7.603 467 2HE2 GLN 62 HE22 GLN 62 6.331 16.835 -8.253 468 H ASP 63 HN ASP 63 11.783 14.435 -5.843 469 HA ASP 63 HA ASP 63 13.020 16.525 -7.209 470 1HB ASP 63 HB2 ASP 63 10.494 17.334 -6.569 471 2HB ASP 63 HB1 ASP 63 11.386 17.868 -5.147 472 H ALA 64 HN ALA 64 12.022 15.039 -4.266 473 HA ALA 64 HA ALA 64 14.367 16.031 -2.751 474 1HB ALA 64 HB1 ALA 64 11.957 14.564 -1.739 475 2HB ALA 64 HB2 ALA 64 12.064 16.320 -1.844 476 3HB ALA 64 HB3 ALA 64 13.168 15.430 -0.797 477 HA PRO 65 HA PRO 65 16.161 11.958 -2.724 478 1HB PRO 65 HB2 PRO 65 16.112 11.277 0.059 479 2HB PRO 65 HB1 PRO 65 17.472 11.886 -0.883 480 1HG PRO 65 HG2 PRO 65 16.195 13.272 1.131 481 2HG PRO 65 HG1 PRO 65 17.174 14.010 -0.148 482 1HD PRO 65 HD2 PRO 65 14.215 13.832 0.117 483 2HD PRO 65 HD1 PRO 65 15.209 15.110 -0.592 484 H PHE 66 HN PHE 66 13.293 12.285 -2.649 485 HA PHE 66 HA PHE 66 12.304 9.799 -1.544 486 1HB PHE 66 HB2 PHE 66 10.675 11.750 -3.102 487 2HB PHE 66 HB1 PHE 66 10.174 10.630 -1.863 488 HD1 PHE 66 HD1 PHE 66 12.809 11.970 -0.282 489 HD2 PHE 66 HD2 PHE 66 9.059 13.085 -1.860 490 HE1 PHE 66 HE1 PHE 66 12.681 13.786 1.395 491 HE2 PHE 66 HE2 PHE 66 8.892 14.933 -0.203 492 HZ PHE 66 HZ PHE 66 10.709 15.273 1.434 493 H LYS 67 HN LYS 67 10.520 8.886 -2.937 494 HA LYS 67 HA LYS 67 10.898 9.116 -5.715 495 1HB LYS 67 HB2 LYS 67 12.574 7.292 -4.564 496 2HB LYS 67 HB1 LYS 67 11.187 6.281 -4.950 497 1HG LYS 67 HG2 LYS 67 11.726 6.236 -7.094 498 2HG LYS 67 HG1 LYS 67 11.843 7.996 -7.159 499 1HD LYS 67 HD2 LYS 67 13.966 7.018 -7.778 500 2HD LYS 67 HD1 LYS 67 14.122 7.853 -6.232 501 1HE LYS 67 HE2 LYS 67 13.361 5.116 -5.809 502 2HE LYS 67 HE1 LYS 67 14.801 5.196 -6.824 503 1HZ LYS 67 HZ1 LYS 67 15.033 5.187 -4.260 504 2HZ LYS 67 HZ2 LYS 67 14.654 6.831 -4.385 505 3HZ LYS 67 HZ3 LYS 67 16.014 6.215 -5.180 506 H VAL 68 HN VAL 68 9.035 8.852 -6.664 507 HA VAL 68 HA VAL 68 6.744 8.049 -5.099 508 HB VAL 68 HB VAL 68 6.502 8.542 -8.018 509 1HG1 VAL 68 HG11 VAL 68 4.384 8.869 -7.466 510 2HG1 VAL 68 HG12 VAL 68 4.818 10.049 -6.229 511 3HG1 VAL 68 HG13 VAL 68 4.803 8.330 -5.840 512 1HG2 VAL 68 HG21 VAL 68 7.785 10.393 -7.903 513 2HG2 VAL 68 HG22 VAL 68 7.715 10.458 -6.142 514 3HG2 VAL 68 HG23 VAL 68 6.378 11.094 -7.100 515 H VAL 69 HN VAL 69 6.591 5.838 -4.838 516 HA VAL 69 HA VAL 69 6.661 4.193 -7.284 517 HB VAL 69 HB VAL 69 6.877 2.399 -5.188 518 1HG1 VAL 69 HG11 VAL 69 9.136 3.638 -6.750 519 2HG1 VAL 69 HG12 VAL 69 8.017 2.442 -7.407 520 3HG1 VAL 69 HG13 VAL 69 9.085 2.012 -6.069 521 1HG2 VAL 69 HG21 VAL 69 8.549 4.838 -4.596 522 2HG2 VAL 69 HG22 VAL 69 8.906 3.226 -3.969 523 3HG2 VAL 69 HG23 VAL 69 7.398 4.024 -3.534 524 H ASP 70 HN ASP 70 5.440 1.988 -6.644 525 HA ASP 70 HA ASP 70 2.857 2.789 -5.508 526 1HB ASP 70 HB2 ASP 70 3.382 1.165 -7.994 527 2HB ASP 70 HB1 ASP 70 1.816 1.188 -7.188 528 H ILE 71 HN ILE 71 1.595 1.074 -4.510 529 HA ILE 71 HA ILE 71 2.994 -0.588 -2.802 530 HB ILE 71 HB ILE 71 0.547 -0.108 -2.579 531 1HG1 ILE 71 HG12 ILE 71 1.317 -3.033 -2.536 532 2HG1 ILE 71 HG11 ILE 71 1.663 -1.866 -1.267 533 1HG2 ILE 71 HG21 ILE 71 0.250 -0.887 -5.108 534 2HG2 ILE 71 HG22 ILE 71 -1.061 -0.960 -3.932 535 3HG2 ILE 71 HG23 ILE 71 -0.133 -2.411 -4.308 536 1HD1 ILE 71 HD11 ILE 71 -0.412 -1.980 -0.426 537 2HD1 ILE 71 HD12 ILE 71 -0.453 -3.527 -1.271 538 3HD1 ILE 71 HD13 ILE 71 -1.166 -2.097 -2.016 539 H ASP 72 HN ASP 72 1.581 -1.284 -5.924 540 HA ASP 72 HA ASP 72 2.299 -3.988 -6.005 541 1HB ASP 72 HB2 ASP 72 0.714 -2.393 -7.500 542 2HB ASP 72 HB1 ASP 72 2.131 -2.470 -8.552 543 H SER 73 HN SER 73 3.915 -1.006 -6.899 544 HA SER 73 HA SER 73 6.059 -2.200 -8.290 545 1HB SER 73 HB2 SER 73 5.203 0.369 -7.904 546 2HB SER 73 HB1 SER 73 6.675 0.321 -6.933 547 HG SER 73 HG SER 73 7.321 -0.872 -9.133 548 H PHE 74 HN PHE 74 6.022 -0.747 -5.010 549 HA PHE 74 HA PHE 74 8.554 -1.958 -4.398 550 1HB PHE 74 HB2 PHE 74 7.694 0.316 -3.616 551 2HB PHE 74 HB1 PHE 74 6.723 -0.582 -2.451 552 HD1 PHE 74 HD1 PHE 74 7.905 0.700 -0.687 553 HD2 PHE 74 HD2 PHE 74 9.971 -1.960 -3.292 554 HE1 PHE 74 HE1 PHE 74 9.814 0.669 0.863 555 HE2 PHE 74 HE2 PHE 74 11.882 -1.996 -1.744 556 HZ PHE 74 HZ PHE 74 11.805 -0.681 0.337 557 H PHE 75 HN PHE 75 5.358 -2.173 -2.853 558 HA PHE 75 HA PHE 75 6.120 -4.295 -1.159 559 1HB PHE 75 HB2 PHE 75 3.469 -3.075 -1.861 560 2HB PHE 75 HB1 PHE 75 3.605 -4.426 -0.744 561 HD1 PHE 75 HD1 PHE 75 6.356 -2.089 -0.712 562 HD2 PHE 75 HD2 PHE 75 2.504 -2.915 0.898 563 HE1 PHE 75 HE1 PHE 75 6.792 -0.519 1.127 564 HE2 PHE 75 HE2 PHE 75 2.935 -1.347 2.742 565 HZ PHE 75 HZ PHE 75 5.081 -0.146 2.859 566 H SER 76 HN SER 76 4.781 -4.372 -4.412 567 HA SER 76 HA SER 76 4.006 -7.147 -4.075 568 1HB SER 76 HB2 SER 76 2.600 -6.634 -5.736 569 2HB SER 76 HB1 SER 76 3.418 -5.102 -6.022 570 HG SER 76 HG SER 76 3.533 -6.405 -7.864 571 H ARG 77 HN ARG 77 6.586 -5.208 -5.522 572 HA ARG 77 HA ARG 77 7.914 -7.403 -6.754 573 1HB ARG 77 HB2 ARG 77 9.357 -5.827 -7.462 574 2HB ARG 77 HB1 ARG 77 8.311 -4.655 -6.681 575 1HG ARG 77 HG2 ARG 77 9.786 -5.316 -4.571 576 2HG ARG 77 HG1 ARG 77 10.948 -5.706 -5.840 577 1HD ARG 77 HD2 ARG 77 9.674 -3.171 -6.352 578 2HD ARG 77 HD1 ARG 77 10.406 -3.193 -4.748 579 HE ARG 77 HE ARG 77 12.502 -3.866 -5.892 580 1HH1 ARG 77 HH11 ARG 77 9.995 -2.234 -7.678 581 2HH1 ARG 77 HH12 ARG 77 11.082 -1.581 -8.858 582 1HH2 ARG 77 HH21 ARG 77 13.941 -3.009 -7.438 583 2HH2 ARG 77 HH22 ARG 77 13.326 -2.022 -8.721 584 H ALA 78 HN ALA 78 7.258 -6.603 -3.572 585 HA ALA 78 HA ALA 78 9.648 -7.880 -2.528 586 1HB ALA 78 HB1 ALA 78 8.586 -7.355 -0.291 587 2HB ALA 78 HB2 ALA 78 7.345 -6.485 -1.193 588 3HB ALA 78 HB3 ALA 78 9.027 -5.962 -1.280 589 H THR 79 HN THR 79 8.968 -9.809 -3.711 590 HA THR 79 HA THR 79 8.060 -11.890 -2.127 591 HB THR 79 HB THR 79 5.875 -11.912 -3.944 592 HG1 THR 79 HG1 THR 79 6.286 -9.517 -3.738 593 1HG2 THR 79 HG21 THR 79 6.389 -12.400 -1.207 594 2HG2 THR 79 HG22 THR 79 4.973 -12.860 -2.156 595 3HG2 THR 79 HG23 THR 79 5.000 -11.316 -1.304 596 H THR 80 HN THR 80 9.734 -10.880 -4.499 597 HA THR 80 HA THR 80 9.054 -12.367 -6.784 598 HB THR 80 HB THR 80 11.619 -12.106 -7.243 599 HG1 THR 80 HG1 THR 80 11.253 -10.182 -5.175 600 1HG2 THR 80 HG21 THR 80 9.361 -10.290 -7.406 601 2HG2 THR 80 HG22 THR 80 10.634 -10.613 -8.584 602 3HG2 THR 80 HG23 THR 80 10.896 -9.427 -7.305 603 HA PRO 81 HA PRO 81 10.556 -16.303 -5.135 604 1HB PRO 81 HB2 PRO 81 8.786 -17.832 -6.501 605 2HB PRO 81 HB1 PRO 81 8.399 -17.041 -4.972 606 1HG PRO 81 HG2 PRO 81 7.432 -16.445 -7.651 607 2HG PRO 81 HG1 PRO 81 6.819 -15.886 -6.093 608 1HD PRO 81 HD2 PRO 81 8.514 -14.499 -7.971 609 2HD PRO 81 HD1 PRO 81 7.735 -13.872 -6.518 610 H GLN 82 HN GLN 82 12.060 -17.616 -5.975 611 HA GLN 82 HA GLN 82 13.034 -17.126 -8.608 612 1HB GLN 82 HB2 GLN 82 13.809 -19.547 -7.038 613 2HB GLN 82 HB1 GLN 82 14.806 -18.506 -8.049 614 1HG GLN 82 HG2 GLN 82 15.405 -17.309 -6.321 615 2HG GLN 82 HG1 GLN 82 13.725 -16.995 -5.883 616 1HE2 GLN 82 HE21 GLN 82 13.131 -19.823 -5.532 617 2HE2 GLN 82 HE22 GLN 82 13.853 -20.294 -4.037 618 H ASP 83 HN ASP 83 10.323 -18.418 -7.855 619 HA ASP 83 HA ASP 83 8.839 -19.527 -9.161 620 1HB ASP 83 HB2 ASP 83 11.056 -19.538 -10.837 621 2HB ASP 83 HB1 ASP 83 10.645 -21.246 -10.657 622 H TRP 84 HN TRP 84 11.680 -21.161 -7.913 623 HA TRP 84 HA TRP 84 10.084 -23.548 -7.445 624 1HB TRP 84 HB2 TRP 84 12.411 -24.407 -6.622 625 2HB TRP 84 HB1 TRP 84 12.059 -24.269 -8.339 626 HD1 TRP 84 HD1 TRP 84 13.928 -22.335 -5.557 627 HE1 TRP 84 HE1 TRP 84 15.784 -20.954 -6.723 628 HE3 TRP 84 HE3 TRP 84 12.726 -23.360 -10.366 629 HZ2 TRP 84 HZ2 TRP 84 16.597 -20.378 -9.398 630 HZ3 TRP 84 HZ3 TRP 84 14.026 -22.384 -12.159 631 HH2 TRP 84 HH2 TRP 84 15.941 -20.914 -11.713 632 H TYR 85 HN TYR 85 10.544 -20.771 -5.870 633 HA TYR 85 HA TYR 85 11.469 -20.764 -3.448 634 1HB TYR 85 HB2 TYR 85 9.000 -19.797 -4.550 635 2HB TYR 85 HB1 TYR 85 8.724 -20.311 -2.892 636 HD1 TYR 85 HD1 TYR 85 8.153 -17.864 -2.558 637 HD2 TYR 85 HD2 TYR 85 12.083 -19.180 -3.527 638 HE1 TYR 85 HE1 TYR 85 9.062 -15.724 -1.755 639 HE2 TYR 85 HE2 TYR 85 13.001 -17.045 -2.724 640 HH TYR 85 HH TYR 85 11.476 -14.385 -2.413 641 H GLU 86 HN GLU 86 8.182 -22.016 -3.392 642 HA GLU 86 HA GLU 86 9.038 -24.498 -2.124 643 1HB GLU 86 HB2 GLU 86 7.002 -22.720 -0.783 644 2HB GLU 86 HB1 GLU 86 7.664 -24.202 -0.163 645 1HG GLU 86 HG2 GLU 86 9.340 -21.772 -0.681 646 2HG GLU 86 HG1 GLU 86 8.539 -22.079 0.858 647 H ASP 87 HN ASP 87 7.300 -26.099 -2.106 648 HA ASP 87 HA ASP 87 5.731 -26.072 -4.420 649 1HB ASP 87 HB2 ASP 87 5.206 -27.607 -1.864 650 2HB ASP 87 HB1 ASP 87 4.499 -27.957 -3.437 651 H GLU 88 HN GLU 88 5.156 -25.010 -1.162 652 HA GLU 88 HA GLU 88 2.408 -24.287 -1.695 653 1HB GLU 88 HB2 GLU 88 2.508 -23.404 0.670 654 2HB GLU 88 HB1 GLU 88 2.774 -25.134 0.495 655 1HG GLU 88 HG2 GLU 88 4.964 -25.002 1.097 656 2HG GLU 88 HG1 GLU 88 5.147 -23.359 0.483 657 H GLU 89 HN GLU 89 5.435 -22.626 -0.848 658 HA GLU 89 HA GLU 89 4.457 -20.036 -0.966 659 1HB GLU 89 HB2 GLU 89 7.197 -21.113 -1.461 660 2HB GLU 89 HB1 GLU 89 6.835 -19.418 -1.336 661 1HG GLU 89 HG2 GLU 89 5.709 -20.244 0.934 662 2HG GLU 89 HG1 GLU 89 6.955 -21.484 0.759 663 H ASN 90 HN ASN 90 5.117 -22.209 -3.577 664 HA ASN 90 HA ASN 90 5.794 -20.363 -5.564 665 1HB ASN 90 HB2 ASN 90 4.610 -23.059 -5.492 666 2HB ASN 90 HB1 ASN 90 4.086 -22.102 -6.875 667 1HD2 ASN 90 HD21 ASN 90 7.161 -22.273 -5.127 668 2HD2 ASN 90 HD22 ASN 90 8.120 -22.679 -6.505 669 H ALA 91 HN ALA 91 2.599 -21.635 -4.706 670 HA ALA 91 HA ALA 91 1.259 -19.430 -6.019 671 1HB ALA 91 HB1 ALA 91 0.505 -21.952 -5.690 672 2HB ALA 91 HB2 ALA 91 -0.664 -20.637 -5.804 673 3HB ALA 91 HB3 ALA 91 -0.214 -21.282 -4.226 674 H VAL 92 HN VAL 92 2.281 -20.320 -2.820 675 HA VAL 92 HA VAL 92 0.590 -18.580 -1.350 676 HB VAL 92 HB VAL 92 3.092 -20.100 -0.713 677 1HG1 VAL 92 HG11 VAL 92 3.790 -18.398 0.599 678 2HG1 VAL 92 HG12 VAL 92 2.559 -19.020 1.698 679 3HG1 VAL 92 HG13 VAL 92 2.198 -17.642 0.659 680 1HG2 VAL 92 HG21 VAL 92 1.599 -20.925 1.125 681 2HG2 VAL 92 HG22 VAL 92 1.038 -21.286 -0.507 682 3HG2 VAL 92 HG23 VAL 92 0.297 -19.974 0.409 683 H VAL 93 HN VAL 93 3.859 -18.228 -2.626 684 HA VAL 93 HA VAL 93 4.459 -15.724 -1.554 685 HB VAL 93 HB VAL 93 6.106 -17.231 -2.728 686 1HG1 VAL 93 HG11 VAL 93 6.241 -17.357 -5.052 687 2HG1 VAL 93 HG12 VAL 93 5.178 -15.969 -5.287 688 3HG1 VAL 93 HG13 VAL 93 4.513 -17.505 -4.732 689 1HG2 VAL 93 HG21 VAL 93 6.949 -15.049 -4.163 690 2HG2 VAL 93 HG22 VAL 93 7.248 -15.331 -2.443 691 3HG2 VAL 93 HG23 VAL 93 5.886 -14.329 -2.947 692 H ALA 94 HN ALA 94 2.954 -16.679 -4.625 693 HA ALA 94 HA ALA 94 2.593 -14.140 -5.720 694 1HB ALA 94 HB1 ALA 94 1.968 -15.554 -7.334 695 2HB ALA 94 HB2 ALA 94 0.379 -15.543 -6.569 696 3HB ALA 94 HB3 ALA 94 1.536 -16.815 -6.179 697 H LYS 95 HN LYS 95 0.837 -15.780 -3.167 698 HA LYS 95 HA LYS 95 -1.502 -14.185 -3.248 699 1HB LYS 95 HB2 LYS 95 -0.504 -15.296 -0.659 700 2HB LYS 95 HB1 LYS 95 -2.151 -15.166 -1.254 701 1HG LYS 95 HG2 LYS 95 -0.102 -17.073 -2.346 702 2HG LYS 95 HG1 LYS 95 -1.292 -17.482 -1.112 703 1HD LYS 95 HD2 LYS 95 -2.289 -16.253 -3.621 704 2HD LYS 95 HD1 LYS 95 -1.705 -17.918 -3.703 705 1HE LYS 95 HE2 LYS 95 -3.209 -18.355 -1.685 706 2HE LYS 95 HE1 LYS 95 -3.951 -16.797 -2.049 707 1HZ LYS 95 HZ1 LYS 95 -5.077 -17.671 -3.738 708 2HZ LYS 95 HZ2 LYS 95 -4.650 -19.192 -3.135 709 3HZ LYS 95 HZ3 LYS 95 -3.724 -18.477 -4.356 710 H PHE 96 HN PHE 96 1.372 -13.969 -1.130 711 HA PHE 96 HA PHE 96 0.681 -11.800 0.378 712 1HB PHE 96 HB2 PHE 96 2.824 -13.073 0.573 713 2HB PHE 96 HB1 PHE 96 3.423 -12.205 -0.829 714 HD1 PHE 96 HD1 PHE 96 5.329 -11.612 0.686 715 HD2 PHE 96 HD2 PHE 96 1.364 -10.215 1.394 716 HE1 PHE 96 HE1 PHE 96 6.208 -9.847 2.153 717 HE2 PHE 96 HE2 PHE 96 2.245 -8.454 2.855 718 HZ PHE 96 HZ PHE 96 4.668 -8.265 3.238 719 H GLN 97 HN GLN 97 2.083 -11.679 -2.918 720 HA GLN 97 HA GLN 97 2.150 -8.872 -3.115 721 1HB GLN 97 HB2 GLN 97 1.614 -10.884 -5.313 722 2HB GLN 97 HB1 GLN 97 2.100 -9.215 -5.544 723 1HG GLN 97 HG2 GLN 97 4.237 -9.629 -4.579 724 2HG GLN 97 HG1 GLN 97 3.761 -11.259 -4.114 725 1HE2 GLN 97 HE21 GLN 97 5.922 -10.196 -5.862 726 2HE2 GLN 97 HE22 GLN 97 5.747 -11.043 -7.355 727 H LYS 98 HN LYS 98 -0.274 -11.200 -4.109 728 HA LYS 98 HA LYS 98 -2.227 -9.477 -5.106 729 1HB LYS 98 HB2 LYS 98 -2.430 -11.692 -5.729 730 2HB LYS 98 HB1 LYS 98 -2.110 -12.293 -4.117 731 1HG LYS 98 HG2 LYS 98 -4.320 -11.766 -3.410 732 2HG LYS 98 HG1 LYS 98 -4.649 -10.874 -4.896 733 1HD LYS 98 HD2 LYS 98 -5.698 -13.080 -4.945 734 2HD LYS 98 HD1 LYS 98 -4.453 -12.942 -6.187 735 1HE LYS 98 HE2 LYS 98 -2.900 -14.201 -4.840 736 2HE LYS 98 HE1 LYS 98 -4.033 -14.224 -3.489 737 1HZ LYS 98 HZ1 LYS 98 -4.322 -15.597 -6.102 738 2HZ LYS 98 HZ2 LYS 98 -5.578 -15.469 -4.977 739 3HZ LYS 98 HZ3 LYS 98 -4.167 -16.310 -4.575 740 H LEU 99 HN LEU 99 -2.355 -11.318 -2.081 741 HA LEU 99 HA LEU 99 -4.590 -10.096 -1.080 742 1HB LEU 99 HB2 LEU 99 -4.335 -11.775 0.354 743 2HB LEU 99 HB1 LEU 99 -2.675 -11.993 -0.159 744 HG LEU 99 HG LEU 99 -3.395 -9.918 1.898 745 1HD1 LEU 99 HD11 LEU 99 -4.033 -12.515 2.297 746 2HD1 LEU 99 HD12 LEU 99 -3.539 -11.406 3.577 747 3HD1 LEU 99 HD13 LEU 99 -2.359 -12.497 2.851 748 1HD2 LEU 99 HD21 LEU 99 -1.116 -10.276 0.592 749 2HD2 LEU 99 HD22 LEU 99 -0.873 -11.460 1.878 750 3HD2 LEU 99 HD23 LEU 99 -1.175 -9.768 2.278 751 H LEU 100 HN LEU 100 -1.406 -9.005 -1.176 752 HA LEU 100 HA LEU 100 -1.341 -7.169 0.922 753 1HB LEU 100 HB2 LEU 100 0.673 -7.637 -0.092 754 2HB LEU 100 HB1 LEU 100 -0.053 -7.542 -1.691 755 HG LEU 100 HG LEU 100 -0.164 -5.079 -1.435 756 1HD1 LEU 100 HD11 LEU 100 1.864 -4.747 0.519 757 2HD1 LEU 100 HD12 LEU 100 0.574 -5.715 1.233 758 3HD1 LEU 100 HD13 LEU 100 0.210 -4.134 0.540 759 1HD2 LEU 100 HD21 LEU 100 2.585 -6.299 -1.231 760 2HD2 LEU 100 HD22 LEU 100 2.213 -4.701 -1.880 761 3HD2 LEU 100 HD23 LEU 100 1.628 -6.150 -2.704 762 H GLU 101 HN GLU 101 -1.893 -6.557 -2.539 763 HA GLU 101 HA GLU 101 -3.025 -3.976 -1.869 764 1HB GLU 101 HB2 GLU 101 -2.378 -3.360 -3.887 765 2HB GLU 101 HB1 GLU 101 -1.519 -4.896 -3.941 766 1HG GLU 101 HG2 GLU 101 -4.340 -4.658 -4.893 767 2HG GLU 101 HG1 GLU 101 -2.981 -4.203 -5.927 768 H VAL 102 HN VAL 102 -4.163 -6.921 -3.506 769 HA VAL 102 HA VAL 102 -6.786 -5.862 -3.844 770 HB VAL 102 HB VAL 102 -5.478 -7.801 -5.132 771 1HG1 VAL 102 HG11 VAL 102 -7.420 -9.450 -3.566 772 2HG1 VAL 102 HG12 VAL 102 -5.764 -9.238 -2.997 773 3HG1 VAL 102 HG13 VAL 102 -6.068 -9.968 -4.573 774 1HG2 VAL 102 HG21 VAL 102 -8.312 -7.051 -4.873 775 2HG2 VAL 102 HG22 VAL 102 -7.996 -8.590 -5.674 776 3HG2 VAL 102 HG23 VAL 102 -7.274 -7.106 -6.298 777 H ILE 103 HN ILE 103 -5.274 -7.875 -1.349 778 HA ILE 103 HA ILE 103 -7.933 -8.277 -0.194 779 HB ILE 103 HB ILE 103 -5.318 -9.562 0.456 780 1HG1 ILE 103 HG12 ILE 103 -7.979 -10.495 -0.620 781 2HG1 ILE 103 HG11 ILE 103 -6.425 -10.512 -1.443 782 1HG2 ILE 103 HG21 ILE 103 -7.919 -9.870 1.952 783 2HG2 ILE 103 HG22 ILE 103 -6.464 -9.087 2.567 784 3HG2 ILE 103 HG23 ILE 103 -6.455 -10.816 2.218 785 1HD1 ILE 103 HD11 ILE 103 -5.896 -12.075 0.710 786 2HD1 ILE 103 HD12 ILE 103 -6.410 -12.671 -0.868 787 3HD1 ILE 103 HD13 ILE 103 -7.596 -12.441 0.417 788 H LYS 104 HN LYS 104 -4.943 -6.539 0.454 789 HA LYS 104 HA LYS 104 -5.938 -5.757 3.076 790 1HB LYS 104 HB2 LYS 104 -3.504 -4.796 1.611 791 2HB LYS 104 HB1 LYS 104 -3.903 -4.466 3.290 792 1HG LYS 104 HG2 LYS 104 -3.635 -6.746 3.883 793 2HG LYS 104 HG1 LYS 104 -3.486 -7.224 2.189 794 1HD LYS 104 HD2 LYS 104 -1.433 -5.913 2.016 795 2HD LYS 104 HD1 LYS 104 -1.565 -5.479 3.717 796 1HE LYS 104 HE2 LYS 104 -0.579 -7.930 2.483 797 2HE LYS 104 HE1 LYS 104 -0.287 -7.276 4.094 798 1HZ LYS 104 HZ1 LYS 104 -2.592 -8.093 4.648 799 2HZ LYS 104 HZ2 LYS 104 -1.420 -9.289 4.411 800 3HZ LYS 104 HZ3 LYS 104 -2.550 -8.960 3.197 801 H SER 105 HN SER 105 -4.910 -3.995 0.137 802 HA SER 105 HA SER 105 -6.100 -1.592 1.001 803 1HB SER 105 HB2 SER 105 -4.695 -2.519 -1.375 804 2HB SER 105 HB1 SER 105 -5.878 -1.254 -1.674 805 HG SER 105 HG SER 105 -3.633 -1.196 0.042 806 H ASN 106 HN ASN 106 -7.009 -3.844 -1.523 807 HA ASN 106 HA ASN 106 -8.898 -4.317 -2.565 808 1HB ASN 106 HB2 ASN 106 -10.475 -2.923 -0.437 809 2HB ASN 106 HB1 ASN 106 -11.002 -4.224 -1.490 810 1HD2 ASN 106 HD21 ASN 106 -8.017 -5.109 -0.823 811 2HD2 ASN 106 HD22 ASN 106 -8.257 -6.020 0.604 812 H LEU 107 HN LEU 107 -8.083 -1.202 -1.701 813 HA LEU 107 HA LEU 107 -9.902 0.133 -3.527 814 1HB LEU 107 HB2 LEU 107 -8.534 2.156 -2.686 815 2HB LEU 107 HB1 LEU 107 -9.700 1.416 -1.607 816 HG LEU 107 HG LEU 107 -7.598 0.033 -0.811 817 1HD1 LEU 107 HD11 LEU 107 -5.567 1.400 -0.846 818 2HD1 LEU 107 HD12 LEU 107 -6.377 2.566 -1.892 819 3HD1 LEU 107 HD13 LEU 107 -6.068 0.929 -2.470 820 1HD2 LEU 107 HD21 LEU 107 -7.702 1.283 1.067 821 2HD2 LEU 107 HD22 LEU 107 -9.087 2.003 0.247 822 3HD2 LEU 107 HD23 LEU 107 -7.517 2.804 0.194 823 H LYS 108 HN LYS 108 -8.790 1.788 -4.989 824 HA LYS 108 HA LYS 108 -7.262 0.518 -6.846 825 1HB LYS 108 HB2 LYS 108 -8.079 2.612 -7.503 826 2HB LYS 108 HB1 LYS 108 -7.407 3.415 -6.089 827 1HG LYS 108 HG2 LYS 108 -5.903 4.116 -7.628 828 2HG LYS 108 HG1 LYS 108 -5.144 2.585 -7.178 829 1HD LYS 108 HD2 LYS 108 -6.660 1.632 -9.096 830 2HD LYS 108 HD1 LYS 108 -6.646 3.307 -9.653 831 1HE LYS 108 HE2 LYS 108 -4.296 3.307 -9.892 832 2HE LYS 108 HE1 LYS 108 -4.129 1.802 -8.989 833 1HZ LYS 108 HZ1 LYS 108 -4.125 0.802 -10.957 834 2HZ LYS 108 HZ2 LYS 108 -4.620 2.198 -11.773 835 3HZ LYS 108 HZ3 LYS 108 -5.772 1.171 -11.082 836 H ASN 109 HN ASN 109 -5.442 -0.495 -6.676 837 HA ASN 109 HA ASN 109 -3.841 -0.865 -4.652 838 1HB ASN 109 HB2 ASN 109 -2.759 -0.330 -7.421 839 2HB ASN 109 HB1 ASN 109 -1.980 -1.292 -6.160 840 1HD2 ASN 109 HD21 ASN 109 -4.813 -2.090 -5.363 841 2HD2 ASN 109 HD22 ASN 109 -5.194 -3.379 -6.431 842 HA PRO 110 HA PRO 110 -2.617 3.143 -3.232 843 1HB PRO 110 HB2 PRO 110 -0.936 2.250 -1.302 844 2HB PRO 110 HB1 PRO 110 -2.698 2.196 -1.116 845 1HG PRO 110 HG2 PRO 110 -0.845 0.044 -2.136 846 2HG PRO 110 HG1 PRO 110 -2.035 -0.060 -0.799 847 1HD PRO 110 HD2 PRO 110 -2.761 -0.937 -3.175 848 2HD PRO 110 HD1 PRO 110 -3.893 0.133 -2.303 849 H GLN 111 HN GLN 111 -0.698 4.364 -3.199 850 HA GLN 111 HA GLN 111 1.405 3.084 -4.806 851 1HB GLN 111 HB2 GLN 111 0.934 6.053 -4.538 852 2HB GLN 111 HB1 GLN 111 1.925 5.218 -5.730 853 1HG GLN 111 HG2 GLN 111 0.044 5.687 -6.959 854 2HG GLN 111 HG1 GLN 111 -0.321 4.067 -6.365 855 1HE2 GLN 111 HE21 GLN 111 -1.976 3.735 -5.076 856 2HE2 GLN 111 HE22 GLN 111 -3.059 4.954 -4.540 857 H VAL 112 HN VAL 112 3.310 2.866 -3.968 858 HA VAL 112 HA VAL 112 3.797 3.469 -1.226 859 HB VAL 112 HB VAL 112 5.311 2.110 -3.429 860 1HG1 VAL 112 HG11 VAL 112 6.627 2.089 -0.797 861 2HG1 VAL 112 HG12 VAL 112 6.695 3.634 -1.643 862 3HG1 VAL 112 HG13 VAL 112 7.326 2.178 -2.412 863 1HG2 VAL 112 HG21 VAL 112 5.165 0.184 -2.048 864 2HG2 VAL 112 HG22 VAL 112 3.570 0.933 -2.092 865 3HG2 VAL 112 HG23 VAL 112 4.601 1.135 -0.675 866 H TYR 113 HN TYR 113 4.252 5.586 -0.695 867 HA TYR 113 HA TYR 113 6.035 7.077 -2.481 868 1HB TYR 113 HB2 TYR 113 4.176 8.046 -0.299 869 2HB TYR 113 HB1 TYR 113 5.149 9.061 -1.340 870 HD1 TYR 113 HD1 TYR 113 2.065 7.249 -0.998 871 HD2 TYR 113 HD2 TYR 113 4.626 9.153 -3.799 872 HE1 TYR 113 HE1 TYR 113 0.212 7.331 -2.607 873 HE2 TYR 113 HE2 TYR 113 2.788 9.253 -5.421 874 HH TYR 113 HH TYR 113 0.659 8.036 -5.874 875 H ARG 114 HN ARG 114 8.108 6.989 -1.811 876 HA ARG 114 HA ARG 114 8.632 6.846 1.074 877 1HB ARG 114 HB2 ARG 114 10.959 6.453 -0.604 878 2HB ARG 114 HB1 ARG 114 10.278 5.387 0.616 879 1HG ARG 114 HG2 ARG 114 8.614 4.641 -1.104 880 2HG ARG 114 HG1 ARG 114 9.540 5.558 -2.294 881 1HD ARG 114 HD2 ARG 114 11.303 3.906 -0.753 882 2HD ARG 114 HD1 ARG 114 9.989 2.927 -1.404 883 HE ARG 114 HE ARG 114 10.954 4.556 -3.456 884 1HH1 ARG 114 HH11 ARG 114 12.025 1.899 -1.472 885 2HH1 ARG 114 HH12 ARG 114 13.110 1.276 -2.669 886 1HH2 ARG 114 HH21 ARG 114 12.381 3.743 -5.037 887 2HH2 ARG 114 HH22 ARG 114 13.314 2.324 -4.695 888 H LEU 115 HN LEU 115 9.444 8.671 2.070 889 HA LEU 115 HA LEU 115 10.740 10.596 0.268 890 1HB LEU 115 HB2 LEU 115 9.500 12.183 2.133 891 2HB LEU 115 HB1 LEU 115 8.991 11.915 0.479 892 HG LEU 115 HG LEU 115 7.686 9.899 1.427 893 1HD1 LEU 115 HD11 LEU 115 7.124 9.908 3.699 894 2HD1 LEU 115 HD12 LEU 115 7.788 11.522 3.949 895 3HD1 LEU 115 HD13 LEU 115 8.870 10.157 3.674 896 1HD2 LEU 115 HD21 LEU 115 5.869 11.184 1.201 897 2HD2 LEU 115 HD22 LEU 115 7.006 12.482 0.839 898 3HD2 LEU 115 HD23 LEU 115 6.378 12.291 2.475 899 H GLY 116 HN GLY 116 12.752 10.746 0.783 900 1HA GLY 116 HA2 GLY 116 13.793 12.359 2.488 901 2HA GLY 116 HA1 GLY 116 13.547 11.008 3.599 902 H GLU 117 HN GLU 117 15.851 11.757 3.633 903 HA GLU 117 HA GLU 117 17.467 9.976 1.937 904 1HB GLU 117 HB2 GLU 117 17.714 12.783 2.247 905 2HB GLU 117 HB1 GLU 117 19.041 12.066 3.151 906 1HG GLU 117 HG2 GLU 117 19.090 10.661 0.803 907 2HG GLU 117 HG1 GLU 117 18.619 12.275 0.278 908 H VAL 118 HN VAL 118 19.066 8.776 3.048 909 HA VAL 118 HA VAL 118 20.143 7.777 4.803 910 HB VAL 118 HB VAL 118 18.954 9.676 6.794 911 1HG1 VAL 118 HG11 VAL 118 20.288 7.977 7.746 912 2HG1 VAL 118 HG12 VAL 118 21.274 9.438 7.750 913 3HG1 VAL 118 HG13 VAL 118 21.553 8.189 6.537 914 1HG2 VAL 118 HG21 VAL 118 20.873 11.220 6.335 915 2HG2 VAL 118 HG22 VAL 118 19.629 11.185 5.083 916 3HG2 VAL 118 HG23 VAL 118 21.152 10.325 4.840 917 H GLU 119 HN GLU 119 16.831 8.694 5.037 918 HA GLU 119 HA GLU 119 15.839 6.184 5.549 919 1HB GLU 119 HB2 GLU 119 14.875 6.886 7.915 920 2HB GLU 119 HB1 GLU 119 16.408 6.037 7.755 921 1HG GLU 119 HG2 GLU 119 17.614 7.800 8.457 922 2HG GLU 119 HG1 GLU 119 16.570 8.973 7.660 923 H LEU 120 HN LEU 120 14.253 6.443 4.280 924 HA LEU 120 HA LEU 120 12.638 8.870 4.429 925 1HB LEU 120 HB2 LEU 120 11.906 8.279 2.134 926 2HB LEU 120 HB1 LEU 120 13.635 8.587 2.281 927 HG LEU 120 HG LEU 120 12.394 5.824 2.116 928 1HD1 LEU 120 HD11 LEU 120 14.074 6.935 -0.050 929 2HD1 LEU 120 HD12 LEU 120 12.431 7.565 0.086 930 3HD1 LEU 120 HD13 LEU 120 12.698 5.834 -0.130 931 1HD2 LEU 120 HD21 LEU 120 15.101 6.811 2.638 932 2HD2 LEU 120 HD22 LEU 120 14.996 5.626 1.337 933 3HD2 LEU 120 HD23 LEU 120 14.388 5.226 2.943 934 H ASP 121 HN ASP 121 10.383 8.733 4.296 935 HA ASP 121 HA ASP 121 9.345 6.285 5.525 936 1HB ASP 121 HB2 ASP 121 7.605 8.670 5.327 937 2HB ASP 121 HB1 ASP 121 7.850 7.559 6.670 938 H VAL 122 HN VAL 122 8.098 4.930 4.476 939 HA VAL 122 HA VAL 122 7.182 5.591 1.797 940 HB VAL 122 HB VAL 122 7.393 3.028 3.351 941 1HG1 VAL 122 HG11 VAL 122 5.892 3.430 0.766 942 2HG1 VAL 122 HG12 VAL 122 5.226 2.887 2.307 943 3HG1 VAL 122 HG13 VAL 122 6.359 1.862 1.425 944 1HG2 VAL 122 HG21 VAL 122 8.332 2.955 0.647 945 2HG2 VAL 122 HG22 VAL 122 9.238 2.757 2.147 946 3HG2 VAL 122 HG23 VAL 122 8.996 4.367 1.469 947 H TYR 123 HN TYR 123 5.082 5.825 1.192 948 HA TYR 123 HA TYR 123 2.989 5.366 3.221 949 1HB TYR 123 HB2 TYR 123 3.196 7.801 1.428 950 2HB TYR 123 HB1 TYR 123 1.864 7.445 2.517 951 HD1 TYR 123 HD1 TYR 123 3.659 6.487 4.854 952 HD2 TYR 123 HD2 TYR 123 3.772 9.914 2.337 953 HE1 TYR 123 HE1 TYR 123 4.789 7.749 6.635 954 HE2 TYR 123 HE2 TYR 123 4.905 11.185 4.109 955 HH TYR 123 HH TYR 123 5.742 11.141 6.163 956 H VAL 124 HN VAL 124 2.008 3.626 2.264 957 HA VAL 124 HA VAL 124 1.449 3.789 -0.618 958 HB VAL 124 HB VAL 124 0.765 1.348 0.917 959 1HG1 VAL 124 HG11 VAL 124 2.219 0.638 -1.261 960 2HG1 VAL 124 HG12 VAL 124 1.517 2.168 -1.789 961 3HG1 VAL 124 HG13 VAL 124 0.470 0.858 -1.246 962 1HG2 VAL 124 HG21 VAL 124 2.878 1.937 1.950 963 2HG2 VAL 124 HG22 VAL 124 3.612 2.182 0.365 964 3HG2 VAL 124 HG23 VAL 124 3.104 0.568 0.862 965 H ILE 125 HN ILE 125 -0.358 4.948 -0.911 966 HA ILE 125 HA ILE 125 -2.830 3.943 0.355 967 HB ILE 125 HB ILE 125 -3.628 6.281 0.581 968 1HG1 ILE 125 HG12 ILE 125 -1.822 7.138 -1.076 969 2HG1 ILE 125 HG11 ILE 125 -2.251 8.150 0.298 970 1HG2 ILE 125 HG21 ILE 125 -3.067 5.567 2.643 971 2HG2 ILE 125 HG22 ILE 125 -1.786 6.768 2.473 972 3HG2 ILE 125 HG23 ILE 125 -1.450 5.067 2.149 973 1HD1 ILE 125 HD11 ILE 125 0.272 7.562 -0.442 974 2HD1 ILE 125 HD12 ILE 125 -0.015 6.307 0.763 975 3HD1 ILE 125 HD13 ILE 125 -0.204 8.006 1.197 976 H GLY 126 HN GLY 126 -4.436 3.602 -1.094 977 1HA GLY 126 HA2 GLY 126 -4.342 4.894 -3.732 978 2HA GLY 126 HA1 GLY 126 -4.886 3.254 -3.484 979 H GLU 127 HN GLU 127 -6.426 5.076 -4.867 980 HA GLU 127 HA GLU 127 -8.355 6.281 -3.119 981 1HB GLU 127 HB2 GLU 127 -9.404 7.133 -5.051 982 2HB GLU 127 HB1 GLU 127 -7.677 7.214 -5.364 983 1HG GLU 127 HG2 GLU 127 -8.849 4.726 -6.261 984 2HG GLU 127 HG1 GLU 127 -9.603 6.133 -7.004 985 H THR 128 HN THR 128 -10.712 5.934 -3.557 986 HA THR 128 HA THR 128 -11.577 3.326 -4.379 987 HB THR 128 HB THR 128 -10.605 3.426 -1.819 988 HG1 THR 128 HG1 THR 128 -12.643 1.647 -1.974 989 1HG2 THR 128 HG21 THR 128 -13.603 3.745 -1.615 990 2HG2 THR 128 HG22 THR 128 -12.399 4.906 -1.055 991 3HG2 THR 128 HG23 THR 128 -12.517 3.320 -0.292 992 HA PRO 129 HA PRO 129 -15.638 5.001 -5.000 993 1HB PRO 129 HB2 PRO 129 -16.879 4.022 -2.544 994 2HB PRO 129 HB1 PRO 129 -17.253 3.634 -4.220 995 1HG PRO 129 HG2 PRO 129 -15.769 2.073 -2.325 996 2HG PRO 129 HG1 PRO 129 -16.167 1.684 -4.008 997 1HD PRO 129 HD2 PRO 129 -13.621 2.229 -3.020 998 2HD PRO 129 HD1 PRO 129 -14.094 2.223 -4.727 999 H ALA 130 HN ALA 130 -14.205 5.461 -1.828 1000 HA ALA 130 HA ALA 130 -15.979 7.566 -1.025 1001 1HB ALA 130 HB1 ALA 130 -13.252 6.950 0.090 1002 2HB ALA 130 HB2 ALA 130 -14.726 6.098 0.550 1003 3HB ALA 130 HB3 ALA 130 -14.566 7.823 0.879 1004 H GLY 131 HN GLY 131 -12.968 7.443 -2.797 1005 1HA GLY 131 HA2 GLY 131 -12.176 9.156 -4.193 1006 2HA GLY 131 HA1 GLY 131 -13.229 10.289 -3.360 1007 H ASN 132 HN ASN 132 -10.750 8.069 -2.131 1008 HA ASN 132 HA ASN 132 -8.965 10.247 -1.480 1009 1HB ASN 132 HB2 ASN 132 -10.627 8.869 0.570 1010 2HB ASN 132 HB1 ASN 132 -8.962 9.247 0.983 1011 1HD2 ASN 132 HD21 ASN 132 -8.771 11.606 -0.528 1012 2HD2 ASN 132 HD22 ASN 132 -9.750 12.786 0.241 1013 H LEU 133 HN LEU 133 -6.856 9.471 -0.698 1014 HA LEU 133 HA LEU 133 -6.382 6.770 -1.685 1015 1HB LEU 133 HB2 LEU 133 -4.882 9.247 -1.580 1016 2HB LEU 133 HB1 LEU 133 -3.955 7.885 -1.019 1017 HG LEU 133 HG LEU 133 -4.300 6.723 -3.122 1018 1HD1 LEU 133 HD11 LEU 133 -5.310 8.323 -4.972 1019 2HD1 LEU 133 HD12 LEU 133 -6.196 8.958 -3.586 1020 3HD1 LEU 133 HD13 LEU 133 -6.326 7.251 -4.008 1021 1HD2 LEU 133 HD21 LEU 133 -3.217 8.500 -4.644 1022 2HD2 LEU 133 HD22 LEU 133 -2.357 7.990 -3.191 1023 3HD2 LEU 133 HD23 LEU 133 -3.235 9.519 -3.204 1024 H ALA 134 HN ALA 134 -6.881 5.390 -0.074 1025 HA ALA 134 HA ALA 134 -5.617 5.805 2.543 1026 1HB ALA 134 HB1 ALA 134 -7.841 5.501 3.031 1027 2HB ALA 134 HB2 ALA 134 -7.248 3.843 3.130 1028 3HB ALA 134 HB3 ALA 134 -8.097 4.391 1.685 1029 H GLY 135 HN GLY 135 -4.130 4.361 3.275 1030 1HA GLY 135 HA2 GLY 135 -3.905 1.704 2.353 1031 2HA GLY 135 HA1 GLY 135 -2.780 2.722 1.471 1032 H ILE 136 HN ILE 136 -1.664 0.787 2.846 1033 HA ILE 136 HA ILE 136 -0.993 1.629 5.528 1034 HB ILE 136 HB ILE 136 0.540 -0.462 5.302 1035 1HG1 ILE 136 HG12 ILE 136 -1.518 -1.226 3.254 1036 2HG1 ILE 136 HG11 ILE 136 -0.007 -0.471 2.759 1037 1HG2 ILE 136 HG21 ILE 136 -2.339 -0.187 5.799 1038 2HG2 ILE 136 HG22 ILE 136 -1.069 -0.862 6.818 1039 3HG2 ILE 136 HG23 ILE 136 -1.771 -1.832 5.524 1040 1HD1 ILE 136 HD11 ILE 136 0.925 -2.428 4.357 1041 2HD1 ILE 136 HD12 ILE 136 0.694 -2.591 2.617 1042 3HD1 ILE 136 HD13 ILE 136 -0.538 -3.186 3.729 1043 H SER 137 HN SER 137 0.704 2.760 6.087 1044 HA SER 137 HA SER 137 2.852 3.215 4.162 1045 1HB SER 137 HB2 SER 137 3.563 4.875 6.055 1046 2HB SER 137 HB1 SER 137 2.191 5.278 5.024 1047 HG SER 137 HG SER 137 1.723 5.578 7.247 1048 H THR 138 HN THR 138 5.086 3.295 5.097 1049 HA THR 138 HA THR 138 5.677 1.704 7.417 1050 HB THR 138 HB THR 138 5.269 -0.008 5.581 1051 HG1 THR 138 HG1 THR 138 6.540 -0.564 7.364 1052 1HG2 THR 138 HG21 THR 138 6.317 1.331 3.762 1053 2HG2 THR 138 HG22 THR 138 6.958 -0.307 3.886 1054 3HG2 THR 138 HG23 THR 138 7.887 1.053 4.516 1055 H LYS 139 HN LYS 139 8.090 1.568 7.767 1056 HA LYS 139 HA LYS 139 9.269 4.036 6.691 1057 1HB LYS 139 HB2 LYS 139 9.274 2.767 9.317 1058 2HB LYS 139 HB1 LYS 139 10.871 3.286 8.799 1059 1HG LYS 139 HG2 LYS 139 8.406 4.987 9.085 1060 2HG LYS 139 HG1 LYS 139 9.868 5.038 10.073 1061 1HD LYS 139 HD2 LYS 139 9.803 5.612 7.121 1062 2HD LYS 139 HD1 LYS 139 9.705 6.858 8.366 1063 1HE LYS 139 HE2 LYS 139 11.907 5.272 9.050 1064 2HE LYS 139 HE1 LYS 139 12.015 5.500 7.305 1065 1HZ LYS 139 HZ1 LYS 139 13.005 7.408 7.891 1066 2HZ LYS 139 HZ2 LYS 139 12.335 7.423 9.444 1067 3HZ LYS 139 HZ3 LYS 139 11.428 7.974 8.127 1068 H VAL 140 HN VAL 140 11.531 4.143 6.287 1069 HA VAL 140 HA VAL 140 12.997 1.679 5.873 1070 HB VAL 140 HB VAL 140 13.484 2.971 3.475 1071 1HG1 VAL 140 HG11 VAL 140 13.389 0.562 3.902 1072 2HG1 VAL 140 HG12 VAL 140 12.487 1.023 2.456 1073 3HG1 VAL 140 HG13 VAL 140 11.627 0.650 3.951 1074 1HG2 VAL 140 HG21 VAL 140 11.587 4.373 3.529 1075 2HG2 VAL 140 HG22 VAL 140 10.543 3.074 4.107 1076 3HG2 VAL 140 HG23 VAL 140 11.160 3.041 2.455 1077 H VAL 141 HN VAL 141 15.206 2.003 5.741 1078 HA VAL 141 HA VAL 141 16.083 4.761 6.286 1079 HB VAL 141 HB VAL 141 17.227 2.099 7.119 1080 1HG1 VAL 141 HG11 VAL 141 19.030 3.652 6.327 1081 2HG1 VAL 141 HG12 VAL 141 19.157 3.170 8.019 1082 3HG1 VAL 141 HG13 VAL 141 18.539 4.768 7.600 1083 1HG2 VAL 141 HG21 VAL 141 17.111 3.878 9.266 1084 2HG2 VAL 141 HG22 VAL 141 16.039 2.514 8.947 1085 3HG2 VAL 141 HG23 VAL 141 15.611 4.125 8.372 1086 H GLU 142 HN GLU 142 16.356 5.417 4.146 1087 HA GLU 142 HA GLU 142 18.777 4.449 2.877 1088 1HB GLU 142 HB2 GLU 142 16.675 4.724 0.870 1089 2HB GLU 142 HB1 GLU 142 17.890 3.474 1.058 1090 1HG GLU 142 HG2 GLU 142 16.538 2.218 2.507 1091 2HG GLU 142 HG1 GLU 142 15.427 3.562 2.762 1092 H THR 143 HN THR 143 19.419 5.840 1.014 1093 HA THR 143 HA THR 143 18.731 8.623 1.608 1094 HB THR 143 HB THR 143 20.686 8.859 -0.229 1095 HG1 THR 143 HG1 THR 143 22.072 6.932 0.900 1096 1HG2 THR 143 HG21 THR 143 21.898 9.656 1.500 1097 2HG2 THR 143 HG22 THR 143 21.750 8.161 2.424 1098 3HG2 THR 143 HG23 THR 143 20.437 9.338 2.435 Start of MODEL 2 1 1H MET 1 HT1 MET 1 -24.399 7.949 -6.723 2 2H MET 1 HT2 MET 1 -25.921 7.587 -6.079 3 3H MET 1 HT3 MET 1 -24.563 7.617 -5.072 4 HA MET 1 HA MET 1 -24.408 9.893 -5.064 5 1HB MET 1 HB2 MET 1 -26.134 9.807 -7.548 6 2HB MET 1 HB1 MET 1 -25.573 11.283 -6.775 7 1HG MET 1 HG2 MET 1 -24.022 9.242 -8.302 8 2HG MET 1 HG1 MET 1 -24.074 10.991 -8.504 9 1HE MET 1 HE1 MET 1 -22.290 12.515 -7.716 10 2HE MET 1 HE2 MET 1 -21.518 12.385 -6.136 11 3HE MET 1 HE3 MET 1 -23.269 12.565 -6.249 12 H HIS 2 HN HIS 2 -26.149 11.683 -4.693 13 HA HIS 2 HA HIS 2 -27.898 12.367 -3.412 14 1HB HIS 2 HB2 HIS 2 -28.939 10.759 -5.488 15 2HB HIS 2 HB1 HIS 2 -29.827 10.326 -4.032 16 HD1 HIS 2 HD1 HIS 2 -30.749 12.081 -6.639 17 HD2 HIS 2 HD2 HIS 2 -29.995 13.409 -2.775 18 HE1 HIS 2 HE1 HIS 2 -32.025 14.233 -6.408 19 HE2 HIS 2 HE2 HIS 2 -31.604 14.988 -4.042 20 H HIS 3 HN HIS 3 -29.980 10.166 -2.612 21 HA HIS 3 HA HIS 3 -29.194 9.852 0.025 22 1HB HIS 3 HB2 HIS 3 -31.463 9.333 -1.332 23 2HB HIS 3 HB1 HIS 3 -30.866 7.691 -1.129 24 HD1 HIS 3 HD1 HIS 3 -33.208 7.673 0.334 25 HD2 HIS 3 HD2 HIS 3 -29.935 9.653 1.958 26 HE1 HIS 3 HE1 HIS 3 -33.700 7.884 2.791 27 HE2 HIS 3 HE2 HIS 3 -31.684 9.041 3.762 28 H HIS 4 HN HIS 4 -27.259 9.003 0.531 29 HA HIS 4 HA HIS 4 -26.511 6.416 -0.651 30 1HB HIS 4 HB2 HIS 4 -24.225 7.017 0.385 31 2HB HIS 4 HB1 HIS 4 -24.743 7.911 -1.040 32 HD1 HIS 4 HD1 HIS 4 -26.154 8.771 2.311 33 HD2 HIS 4 HD2 HIS 4 -23.238 10.155 -0.304 34 HE1 HIS 4 HE1 HIS 4 -25.493 11.038 3.179 35 HE2 HIS 4 HE2 HIS 4 -23.681 11.828 1.617 36 H HIS 5 HN HIS 5 -28.286 5.718 0.961 37 HA HIS 5 HA HIS 5 -27.151 5.342 3.644 38 1HB HIS 5 HB2 HIS 5 -29.786 5.925 2.701 39 2HB HIS 5 HB1 HIS 5 -29.816 4.366 3.519 40 HD1 HIS 5 HD1 HIS 5 -28.084 4.715 5.890 41 HD2 HIS 5 HD2 HIS 5 -30.542 7.771 4.515 42 HE1 HIS 5 HE1 HIS 5 -28.433 6.236 7.861 43 HE2 HIS 5 HE2 HIS 5 -29.996 8.028 7.030 44 H HIS 6 HN HIS 6 -25.730 3.652 3.101 45 HA HIS 6 HA HIS 6 -26.862 1.198 2.015 46 1HB HIS 6 HB2 HIS 6 -24.378 0.443 2.394 47 2HB HIS 6 HB1 HIS 6 -24.778 1.520 1.062 48 HD1 HIS 6 HD1 HIS 6 -22.931 3.140 0.839 49 HD2 HIS 6 HD2 HIS 6 -23.857 2.403 4.822 50 HE1 HIS 6 HE1 HIS 6 -21.438 4.664 2.170 51 HE2 HIS 6 HE2 HIS 6 -22.100 4.285 4.570 52 H HIS 7 HN HIS 7 -25.556 -0.801 3.222 53 HA HIS 7 HA HIS 7 -26.586 -0.683 5.970 54 1HB HIS 7 HB2 HIS 7 -26.777 -3.091 5.878 55 2HB HIS 7 HB1 HIS 7 -27.553 -2.402 4.456 56 HD1 HIS 7 HD1 HIS 7 -25.370 -2.136 2.466 57 HD2 HIS 7 HD2 HIS 7 -25.575 -5.364 5.073 58 HE1 HIS 7 HE1 HIS 7 -24.034 -3.966 1.375 59 HE2 HIS 7 HE2 HIS 7 -24.258 -5.940 2.924 60 H GLY 8 HN GLY 8 -23.838 0.091 4.781 61 1HA GLY 8 HA2 GLY 8 -22.009 0.233 6.445 62 2HA GLY 8 HA1 GLY 8 -22.249 -1.487 6.710 63 H SER 9 HN SER 9 -20.055 0.438 5.559 64 HA SER 9 HA SER 9 -19.566 -0.453 2.917 65 1HB SER 9 HB2 SER 9 -17.646 0.689 4.963 66 2HB SER 9 HB1 SER 9 -17.308 0.505 3.242 67 HG SER 9 HG SER 9 -19.069 1.927 2.840 68 H THR 10 HN THR 10 -18.532 -2.203 2.148 69 HA THR 10 HA THR 10 -17.577 -4.166 4.111 70 HB THR 10 HB THR 10 -19.230 -5.196 2.813 71 HG1 THR 10 HG1 THR 10 -18.081 -6.806 1.827 72 1HG2 THR 10 HG21 THR 10 -17.994 -3.743 0.492 73 2HG2 THR 10 HG22 THR 10 -19.660 -3.691 1.070 74 3HG2 THR 10 HG23 THR 10 -19.055 -5.130 0.248 75 H LYS 11 HN LYS 11 -15.491 -4.047 4.448 76 HA LYS 11 HA LYS 11 -13.298 -4.527 3.975 77 1HB LYS 11 HB2 LYS 11 -13.937 -5.331 1.681 78 2HB LYS 11 HB1 LYS 11 -13.697 -3.683 1.117 79 1HG LYS 11 HG2 LYS 11 -11.747 -5.062 0.682 80 2HG LYS 11 HG1 LYS 11 -11.377 -3.765 1.821 81 1HD LYS 11 HD2 LYS 11 -10.351 -5.629 2.770 82 2HD LYS 11 HD1 LYS 11 -11.880 -5.515 3.643 83 1HE LYS 11 HE2 LYS 11 -12.097 -7.104 1.230 84 2HE LYS 11 HE1 LYS 11 -10.888 -7.739 2.345 85 1HZ LYS 11 HZ1 LYS 11 -12.566 -8.644 3.453 86 2HZ LYS 11 HZ2 LYS 11 -13.722 -7.822 2.533 87 3HZ LYS 11 HZ3 LYS 11 -13.057 -7.088 3.904 88 H THR 12 HN THR 12 -14.565 -2.131 4.832 89 HA THR 12 HA THR 12 -13.136 0.152 3.816 90 HB THR 12 HB THR 12 -14.044 0.500 6.538 91 HG1 THR 12 HG1 THR 12 -15.861 -0.583 6.483 92 1HG2 THR 12 HG21 THR 12 -13.737 2.226 4.716 93 2HG2 THR 12 HG22 THR 12 -15.242 2.343 5.626 94 3HG2 THR 12 HG23 THR 12 -15.241 1.639 4.009 95 H ASN 13 HN ASN 13 -12.456 1.403 6.244 96 HA ASN 13 HA ASN 13 -9.841 0.445 6.683 97 1HB ASN 13 HB2 ASN 13 -10.879 2.797 7.179 98 2HB ASN 13 HB1 ASN 13 -11.340 2.083 8.720 99 1HD2 ASN 13 HD21 ASN 13 -9.279 0.670 9.573 100 2HD2 ASN 13 HD22 ASN 13 -7.853 1.633 9.691 101 H SER 14 HN SER 14 -12.932 -0.312 8.016 102 HA SER 14 HA SER 14 -12.275 -1.414 10.486 103 1HB SER 14 HB2 SER 14 -14.512 -1.415 8.684 104 2HB SER 14 HB1 SER 14 -14.274 -3.045 9.312 105 HG SER 14 HG SER 14 -14.045 -1.120 11.237 106 H GLU 15 HN GLU 15 -12.581 -3.049 7.347 107 HA GLU 15 HA GLU 15 -11.409 -5.492 8.341 108 1HB GLU 15 HB2 GLU 15 -12.370 -4.520 5.669 109 2HB GLU 15 HB1 GLU 15 -11.521 -6.045 5.823 110 1HG GLU 15 HG2 GLU 15 -14.149 -5.267 7.053 111 2HG GLU 15 HG1 GLU 15 -13.860 -6.490 5.816 112 H ILE 16 HN ILE 16 -10.531 -2.750 6.397 113 HA ILE 16 HA ILE 16 -8.097 -3.669 5.386 114 HB ILE 16 HB ILE 16 -9.261 -0.922 5.802 115 1HG1 ILE 16 HG12 ILE 16 -9.990 -1.191 3.689 116 2HG1 ILE 16 HG11 ILE 16 -8.406 -1.684 3.143 117 1HG2 ILE 16 HG21 ILE 16 -6.590 -1.218 5.910 118 2HG2 ILE 16 HG22 ILE 16 -7.389 0.173 5.175 119 3HG2 ILE 16 HG23 ILE 16 -6.818 -1.153 4.162 120 1HD1 ILE 16 HD11 ILE 16 -8.857 -3.959 3.706 121 2HD1 ILE 16 HD12 ILE 16 -10.173 -3.336 2.711 122 3HD1 ILE 16 HD13 ILE 16 -10.390 -3.508 4.453 123 H LEU 17 HN LEU 17 -8.962 -2.197 8.413 124 HA LEU 17 HA LEU 17 -6.214 -1.891 9.253 125 1HB LEU 17 HB2 LEU 17 -7.063 -0.527 10.821 126 2HB LEU 17 HB1 LEU 17 -8.588 -0.675 9.962 127 HG LEU 17 HG LEU 17 -8.997 -2.718 11.504 128 1HD1 LEU 17 HD11 LEU 17 -7.875 -1.986 13.807 129 2HD1 LEU 17 HD12 LEU 17 -6.591 -1.477 12.710 130 3HD1 LEU 17 HD13 LEU 17 -7.128 -3.158 12.720 131 1HD2 LEU 17 HD21 LEU 17 -8.994 -0.069 12.886 132 2HD2 LEU 17 HD22 LEU 17 -10.194 -1.359 12.957 133 3HD2 LEU 17 HD23 LEU 17 -10.040 -0.375 11.501 134 H GLU 18 HN GLU 18 -8.854 -4.107 9.509 135 HA GLU 18 HA GLU 18 -8.051 -5.666 11.651 136 1HB GLU 18 HB2 GLU 18 -9.956 -6.672 11.086 137 2HB GLU 18 HB1 GLU 18 -9.996 -5.743 9.599 138 1HG GLU 18 HG2 GLU 18 -8.783 -7.472 8.433 139 2HG GLU 18 HG1 GLU 18 -8.595 -8.387 9.928 140 H GLN 19 HN GLN 19 -7.464 -6.392 8.189 141 HA GLN 19 HA GLN 19 -5.530 -8.381 8.884 142 1HB GLN 19 HB2 GLN 19 -5.202 -8.282 6.302 143 2HB GLN 19 HB1 GLN 19 -6.674 -8.971 6.961 144 1HG GLN 19 HG2 GLN 19 -7.410 -7.602 5.243 145 2HG GLN 19 HG1 GLN 19 -7.671 -6.639 6.698 146 1HE2 GLN 19 HE21 GLN 19 -7.677 -4.852 5.184 147 2HE2 GLN 19 HE22 GLN 19 -6.172 -4.138 4.726 148 H LEU 20 HN LEU 20 -5.339 -5.094 7.492 149 HA LEU 20 HA LEU 20 -2.523 -5.324 7.042 150 1HB LEU 20 HB2 LEU 20 -4.456 -3.052 6.890 151 2HB LEU 20 HB1 LEU 20 -2.736 -2.744 6.827 152 HG LEU 20 HG LEU 20 -3.994 -4.687 4.934 153 1HD1 LEU 20 HD11 LEU 20 -4.678 -3.055 3.460 154 2HD1 LEU 20 HD12 LEU 20 -3.636 -1.826 4.175 155 3HD1 LEU 20 HD13 LEU 20 -5.107 -2.324 5.007 156 1HD2 LEU 20 HD21 LEU 20 -1.688 -4.813 4.786 157 2HD2 LEU 20 HD22 LEU 20 -1.477 -3.081 5.040 158 3HD2 LEU 20 HD23 LEU 20 -2.106 -3.676 3.505 159 H LYS 21 HN LYS 21 -4.411 -3.385 9.395 160 HA LYS 21 HA LYS 21 -2.135 -2.425 10.730 161 1HB LYS 21 HB2 LYS 21 -5.038 -2.533 11.385 162 2HB LYS 21 HB1 LYS 21 -3.920 -2.278 12.717 163 1HG LYS 21 HG2 LYS 21 -3.325 -0.594 10.430 164 2HG LYS 21 HG1 LYS 21 -4.957 -0.349 11.056 165 1HD LYS 21 HD2 LYS 21 -3.434 1.162 12.171 166 2HD LYS 21 HD1 LYS 21 -4.017 -0.045 13.319 167 1HE LYS 21 HE2 LYS 21 -1.671 0.237 13.673 168 2HE LYS 21 HE1 LYS 21 -1.921 -1.335 12.917 169 1HZ LYS 21 HZ1 LYS 21 -0.705 1.090 11.808 170 2HZ LYS 21 HZ2 LYS 21 -1.518 0.047 10.753 171 3HZ LYS 21 HZ3 LYS 21 -0.213 -0.523 11.667 172 H GLN 22 HN GLN 22 -3.957 -5.423 11.137 173 HA GLN 22 HA GLN 22 -2.513 -6.059 13.556 174 1HB GLN 22 HB2 GLN 22 -4.434 -7.707 11.917 175 2HB GLN 22 HB1 GLN 22 -3.749 -8.206 13.459 176 1HG GLN 22 HG2 GLN 22 -4.747 -5.819 14.127 177 2HG GLN 22 HG1 GLN 22 -5.883 -6.281 12.868 178 1HE2 GLN 22 HE21 GLN 22 -6.674 -8.589 13.069 179 2HE2 GLN 22 HE22 GLN 22 -7.117 -9.115 14.653 180 H ALA 23 HN ALA 23 -2.619 -7.350 10.242 181 HA ALA 23 HA ALA 23 -0.484 -9.203 10.852 182 1HB ALA 23 HB1 ALA 23 -1.229 -10.370 9.113 183 2HB ALA 23 HB2 ALA 23 -1.306 -8.954 8.065 184 3HB ALA 23 HB3 ALA 23 -2.620 -9.288 9.197 185 H SER 24 HN SER 24 -0.863 -6.730 8.272 186 HA SER 24 HA SER 24 1.740 -6.756 7.332 187 1HB SER 24 HB2 SER 24 0.322 -4.132 7.611 188 2HB SER 24 HB1 SER 24 1.267 -4.757 6.259 189 HG SER 24 HG SER 24 -1.292 -4.782 6.441 190 H ASP 25 HN ASP 25 0.615 -5.601 10.375 191 HA ASP 25 HA ASP 25 2.698 -3.751 10.924 192 1HB ASP 25 HB2 ASP 25 0.574 -3.693 12.143 193 2HB ASP 25 HB1 ASP 25 0.907 -5.283 12.819 194 H GLY 26 HN GLY 26 2.911 -6.920 10.379 195 1HA GLY 26 HA2 GLY 26 4.903 -7.500 12.446 196 2HA GLY 26 HA1 GLY 26 4.213 -8.665 11.323 197 H LEU 27 HN LEU 27 4.712 -6.415 9.231 198 HA LEU 27 HA LEU 27 7.532 -7.080 8.775 199 1HB LEU 27 HB2 LEU 27 6.326 -6.213 6.370 200 2HB LEU 27 HB1 LEU 27 6.922 -7.805 6.773 201 HG LEU 27 HG LEU 27 4.383 -7.663 7.947 202 1HD1 LEU 27 HD11 LEU 27 2.980 -7.171 5.955 203 2HD1 LEU 27 HD12 LEU 27 4.413 -6.513 5.168 204 3HD1 LEU 27 HD13 LEU 27 3.787 -5.758 6.633 205 1HD2 LEU 27 HD21 LEU 27 3.833 -9.330 6.177 206 2HD2 LEU 27 HD22 LEU 27 5.307 -9.679 7.082 207 3HD2 LEU 27 HD23 LEU 27 5.409 -9.000 5.457 208 H LEU 28 HN LEU 28 7.646 -5.153 10.298 209 HA LEU 28 HA LEU 28 6.911 -2.578 9.498 210 1HB LEU 28 HB2 LEU 28 8.518 -3.783 11.582 211 2HB LEU 28 HB1 LEU 28 9.240 -2.284 11.012 212 HG LEU 28 HG LEU 28 6.443 -1.852 11.396 213 1HD1 LEU 28 HD11 LEU 28 6.593 -3.806 12.910 214 2HD1 LEU 28 HD12 LEU 28 6.201 -2.303 13.746 215 3HD1 LEU 28 HD13 LEU 28 7.838 -2.957 13.828 216 1HD2 LEU 28 HD21 LEU 28 7.883 -0.572 13.409 217 2HD2 LEU 28 HD22 LEU 28 7.416 0.088 11.842 218 3HD2 LEU 28 HD23 LEU 28 8.989 -0.684 12.039 219 H PHE 29 HN PHE 29 7.792 -1.075 8.260 220 HA PHE 29 HA PHE 29 10.232 -1.760 6.789 221 1HB PHE 29 HB2 PHE 29 7.813 -0.795 5.865 222 2HB PHE 29 HB1 PHE 29 8.793 0.665 5.964 223 HD1 PHE 29 HD1 PHE 29 8.708 -2.755 4.546 224 HD2 PHE 29 HD2 PHE 29 10.399 1.145 4.336 225 HE1 PHE 29 HE1 PHE 29 9.777 -3.337 2.407 226 HE2 PHE 29 HE2 PHE 29 11.472 0.571 2.194 227 HZ PHE 29 HZ PHE 29 11.188 -1.681 1.246 228 H MET 30 HN MET 30 11.798 -1.195 8.156 229 HA MET 30 HA MET 30 11.733 1.403 9.484 230 1HB MET 30 HB2 MET 30 13.785 -0.784 9.717 231 2HB MET 30 HB1 MET 30 13.500 0.536 10.840 232 1HG MET 30 HG2 MET 30 11.391 -0.406 11.482 233 2HG MET 30 HG1 MET 30 11.537 -1.661 10.254 234 1HE MET 30 HE1 MET 30 15.047 -1.017 12.401 235 2HE MET 30 HE2 MET 30 14.173 -1.136 13.928 236 3HE MET 30 HE3 MET 30 13.705 0.078 12.737 237 H SER 31 HN SER 31 12.149 2.836 7.885 238 HA SER 31 HA SER 31 14.768 2.664 6.552 239 1HB SER 31 HB2 SER 31 12.485 2.850 5.266 240 2HB SER 31 HB1 SER 31 12.605 4.552 5.704 241 HG SER 31 HG SER 31 13.975 4.760 4.138 242 H GLU 32 HN GLU 32 12.763 5.535 6.917 243 HA GLU 32 HA GLU 32 14.915 7.042 8.013 244 1HB GLU 32 HB2 GLU 32 13.544 8.867 7.819 245 2HB GLU 32 HB1 GLU 32 12.726 7.790 6.698 246 1HG GLU 32 HG2 GLU 32 10.946 8.476 7.875 247 2HG GLU 32 HG1 GLU 32 11.410 7.119 8.896 248 H SER 33 HN SER 33 12.492 4.989 9.163 249 HA SER 33 HA SER 33 13.474 4.775 11.764 250 1HB SER 33 HB2 SER 33 12.684 6.863 12.416 251 2HB SER 33 HB1 SER 33 11.290 6.781 11.338 252 HG SER 33 HG SER 33 10.297 6.265 13.131 253 H GLU 34 HN GLU 34 11.907 3.554 13.185 254 HA GLU 34 HA GLU 34 10.836 1.340 11.793 255 1HB GLU 34 HB2 GLU 34 11.570 1.917 14.409 256 2HB GLU 34 HB1 GLU 34 9.829 1.712 14.512 257 1HG GLU 34 HG2 GLU 34 9.915 -0.501 13.957 258 2HG GLU 34 HG1 GLU 34 11.420 -0.329 13.055 259 H TYR 35 HN TYR 35 9.095 1.619 10.508 260 HA TYR 35 HA TYR 35 6.680 2.738 11.749 261 1HB TYR 35 HB2 TYR 35 7.800 3.455 9.043 262 2HB TYR 35 HB1 TYR 35 6.131 3.766 9.500 263 HD1 TYR 35 HD1 TYR 35 9.307 5.155 9.289 264 HD2 TYR 35 HD2 TYR 35 5.892 5.082 11.822 265 HE1 TYR 35 HE1 TYR 35 9.985 7.311 10.244 266 HE2 TYR 35 HE2 TYR 35 6.561 7.241 12.795 267 HH TYR 35 HH TYR 35 9.104 8.470 12.974 268 HA PRO 36 HA PRO 36 5.180 -1.033 9.765 269 1HB PRO 36 HB2 PRO 36 3.006 -1.115 11.574 270 2HB PRO 36 HB1 PRO 36 4.528 -1.993 11.730 271 1HG PRO 36 HG2 PRO 36 3.628 0.042 13.428 272 2HG PRO 36 HG1 PRO 36 5.285 -0.583 13.338 273 1HD PRO 36 HD2 PRO 36 4.110 1.871 12.097 274 2HD PRO 36 HD1 PRO 36 5.735 1.609 12.772 275 H PHE 37 HN PHE 37 3.456 -1.467 8.447 276 HA PHE 37 HA PHE 37 2.286 0.731 7.202 277 1HB PHE 37 HB2 PHE 37 1.309 -2.115 7.021 278 2HB PHE 37 HB1 PHE 37 1.206 -0.853 5.790 279 HD1 PHE 37 HD1 PHE 37 3.865 0.313 5.760 280 HD2 PHE 37 HD2 PHE 37 2.684 -3.749 6.215 281 HE1 PHE 37 HE1 PHE 37 6.017 -0.425 4.815 282 HE2 PHE 37 HE2 PHE 37 4.822 -4.489 5.282 283 HZ PHE 37 HZ PHE 37 6.599 -2.678 4.696 284 H GLU 38 HN GLU 38 0.863 2.000 7.910 285 HA GLU 38 HA GLU 38 -1.248 1.086 9.745 286 1HB GLU 38 HB2 GLU 38 0.210 2.960 10.498 287 2HB GLU 38 HB1 GLU 38 -0.347 3.905 9.125 288 1HG GLU 38 HG2 GLU 38 -2.592 2.899 10.593 289 2HG GLU 38 HG1 GLU 38 -1.484 3.740 11.677 290 H VAL 39 HN VAL 39 -3.147 0.714 8.904 291 HA VAL 39 HA VAL 39 -3.752 1.521 6.239 292 HB VAL 39 HB VAL 39 -5.320 -0.028 6.249 293 1HG1 VAL 39 HG11 VAL 39 -3.575 -1.183 7.460 294 2HG1 VAL 39 HG12 VAL 39 -5.150 -1.717 8.045 295 3HG1 VAL 39 HG13 VAL 39 -4.197 -0.581 8.993 296 1HG2 VAL 39 HG21 VAL 39 -6.265 1.172 8.843 297 2HG2 VAL 39 HG22 VAL 39 -6.984 -0.288 8.164 298 3HG2 VAL 39 HG23 VAL 39 -7.035 1.224 7.258 299 H PHE 40 HN PHE 40 -5.331 2.928 5.511 300 HA PHE 40 HA PHE 40 -6.966 4.368 7.296 301 1HB PHE 40 HB2 PHE 40 -6.040 6.618 6.966 302 2HB PHE 40 HB1 PHE 40 -4.932 5.559 7.822 303 HD1 PHE 40 HD1 PHE 40 -4.467 4.325 4.728 304 HD2 PHE 40 HD2 PHE 40 -3.902 7.986 6.824 305 HE1 PHE 40 HE1 PHE 40 -2.685 4.950 3.156 306 HE2 PHE 40 HE2 PHE 40 -2.121 8.615 5.251 307 HZ PHE 40 HZ PHE 40 -1.511 7.096 3.413 308 H LEU 41 HN LEU 41 -8.670 5.279 6.317 309 HA LEU 41 HA LEU 41 -9.092 4.668 3.561 310 1HB LEU 41 HB2 LEU 41 -11.322 5.284 3.890 311 2HB LEU 41 HB1 LEU 41 -10.820 4.588 5.412 312 HG LEU 41 HG LEU 41 -12.139 6.418 6.012 313 1HD1 LEU 41 HD11 LEU 41 -10.166 6.446 7.342 314 2HD1 LEU 41 HD12 LEU 41 -10.601 8.112 6.965 315 3HD1 LEU 41 HD13 LEU 41 -9.277 7.333 6.102 316 1HD2 LEU 41 HD21 LEU 41 -12.535 8.215 4.764 317 2HD2 LEU 41 HD22 LEU 41 -11.584 7.413 3.515 318 3HD2 LEU 41 HD23 LEU 41 -10.819 8.584 4.590 319 H TRP 42 HN TRP 42 -9.389 6.027 1.820 320 HA TRP 42 HA TRP 42 -8.728 8.861 2.211 321 1HB TRP 42 HB2 TRP 42 -7.281 6.861 0.586 322 2HB TRP 42 HB1 TRP 42 -7.538 8.437 -0.163 323 HD1 TRP 42 HD1 TRP 42 -6.221 7.085 3.214 324 HE1 TRP 42 HE1 TRP 42 -4.295 8.597 3.966 325 HE3 TRP 42 HE3 TRP 42 -6.324 10.474 -0.598 326 HZ2 TRP 42 HZ2 TRP 42 -2.975 10.933 3.066 327 HZ3 TRP 42 HZ3 TRP 42 -4.702 12.320 -0.581 328 HH2 TRP 42 HH2 TRP 42 -3.063 12.544 1.214 329 H GLU 43 HN GLU 43 -10.215 10.130 1.389 330 HA GLU 43 HA GLU 43 -12.301 9.178 -0.288 331 1HB GLU 43 HB2 GLU 43 -11.685 12.096 -0.029 332 2HB GLU 43 HB1 GLU 43 -13.245 11.288 -0.081 333 1HG GLU 43 HG2 GLU 43 -13.326 11.548 2.116 334 2HG GLU 43 HG1 GLU 43 -12.076 10.309 2.221 335 H GLY 44 HN GLY 44 -9.190 10.567 -0.813 336 1HA GLY 44 HA2 GLY 44 -9.653 11.375 -3.537 337 2HA GLY 44 HA1 GLY 44 -8.095 11.278 -2.725 338 H SER 45 HN SER 45 -9.093 8.448 -1.953 339 HA SER 45 HA SER 45 -7.642 7.038 -3.927 340 1HB SER 45 HB2 SER 45 -7.741 6.168 -1.677 341 2HB SER 45 HB1 SER 45 -9.499 6.073 -1.741 342 HG SER 45 HG SER 45 -9.253 4.160 -2.545 343 H ALA 46 HN ALA 46 -8.960 4.879 -4.760 344 HA ALA 46 HA ALA 46 -10.650 4.015 -6.069 345 1HB ALA 46 HB1 ALA 46 -12.774 4.915 -6.123 346 2HB ALA 46 HB2 ALA 46 -12.190 6.578 -6.041 347 3HB ALA 46 HB3 ALA 46 -12.161 5.560 -4.601 348 HA PRO 47 HA PRO 47 -9.375 5.474 -10.056 349 1HB PRO 47 HB2 PRO 47 -11.670 5.455 -11.586 350 2HB PRO 47 HB1 PRO 47 -10.690 4.029 -11.230 351 1HG PRO 47 HG2 PRO 47 -13.215 4.967 -9.938 352 2HG PRO 47 HG1 PRO 47 -12.707 3.318 -10.345 353 1HD PRO 47 HD2 PRO 47 -12.578 4.268 -7.830 354 2HD PRO 47 HD1 PRO 47 -11.371 3.132 -8.466 355 HA PRO 48 HA PRO 48 -10.788 9.786 -9.834 356 1HB PRO 48 HB2 PRO 48 -8.432 10.921 -9.457 357 2HB PRO 48 HB1 PRO 48 -9.129 9.923 -8.173 358 1HG PRO 48 HG2 PRO 48 -6.926 9.294 -10.076 359 2HG PRO 48 HG1 PRO 48 -7.134 8.787 -8.392 360 1HD PRO 48 HD2 PRO 48 -7.812 7.320 -10.739 361 2HD PRO 48 HD1 PRO 48 -8.149 6.875 -9.056 362 H VAL 49 HN VAL 49 -8.062 11.099 -10.923 363 HA VAL 49 HA VAL 49 -8.966 11.152 -13.696 364 HB VAL 49 HB VAL 49 -7.123 12.921 -12.095 365 1HG1 VAL 49 HG11 VAL 49 -6.001 12.837 -14.139 366 2HG1 VAL 49 HG12 VAL 49 -7.009 14.279 -14.256 367 3HG1 VAL 49 HG13 VAL 49 -7.500 12.792 -15.066 368 1HG2 VAL 49 HG21 VAL 49 -9.053 13.975 -11.733 369 2HG2 VAL 49 HG22 VAL 49 -9.893 13.020 -12.954 370 3HG2 VAL 49 HG23 VAL 49 -8.991 14.459 -13.428 371 H THR 50 HN THR 50 -6.192 10.363 -11.674 372 HA THR 50 HA THR 50 -5.161 8.533 -13.615 373 HB THR 50 HB THR 50 -3.106 10.568 -12.936 374 HG1 THR 50 HG1 THR 50 -3.986 12.111 -14.083 375 1HG2 THR 50 HG21 THR 50 -3.151 9.781 -15.668 376 2HG2 THR 50 HG22 THR 50 -3.405 8.344 -14.679 377 3HG2 THR 50 HG23 THR 50 -1.981 9.352 -14.422 378 H HIS 51 HN HIS 51 -3.063 7.531 -12.782 379 HA HIS 51 HA HIS 51 -3.423 6.935 -10.000 380 1HB HIS 51 HB2 HIS 51 -1.714 5.932 -12.208 381 2HB HIS 51 HB1 HIS 51 -1.092 5.714 -10.576 382 HD1 HIS 51 HD1 HIS 51 -2.440 3.615 -12.791 383 HD2 HIS 51 HD2 HIS 51 -3.868 4.839 -9.085 384 HE1 HIS 51 HE1 HIS 51 -4.021 1.805 -12.047 385 HE2 HIS 51 HE2 HIS 51 -4.940 2.611 -9.844 386 H GLU 52 HN GLU 52 -3.094 8.997 -9.073 387 HA GLU 52 HA GLU 52 -0.815 9.486 -7.723 388 1HB GLU 52 HB2 GLU 52 0.372 11.272 -8.938 389 2HB GLU 52 HB1 GLU 52 0.419 9.752 -9.821 390 1HG GLU 52 HG2 GLU 52 -1.722 10.776 -10.984 391 2HG GLU 52 HG1 GLU 52 -0.976 12.288 -10.472 392 H ILE 53 HN ILE 53 -3.811 10.182 -8.640 393 HA ILE 53 HA ILE 53 -4.131 12.932 -8.218 394 HB ILE 53 HB ILE 53 -5.878 10.588 -8.372 395 1HG1 ILE 53 HG12 ILE 53 -6.357 11.616 -10.284 396 2HG1 ILE 53 HG11 ILE 53 -7.196 12.846 -9.356 397 1HG2 ILE 53 HG21 ILE 53 -6.934 11.144 -6.435 398 2HG2 ILE 53 HG22 ILE 53 -7.839 12.134 -7.580 399 3HG2 ILE 53 HG23 ILE 53 -6.568 12.862 -6.599 400 1HD1 ILE 53 HD11 ILE 53 -5.715 13.959 -10.816 401 2HD1 ILE 53 HD12 ILE 53 -4.375 12.898 -10.380 402 3HD1 ILE 53 HD13 ILE 53 -4.999 14.056 -9.210 403 H VAL 54 HN VAL 54 -4.052 10.249 -5.953 404 HA VAL 54 HA VAL 54 -5.099 11.441 -3.711 405 HB VAL 54 HB VAL 54 -3.285 9.248 -4.309 406 1HG1 VAL 54 HG11 VAL 54 -2.735 9.038 -1.795 407 2HG1 VAL 54 HG12 VAL 54 -2.965 10.787 -1.781 408 3HG1 VAL 54 HG13 VAL 54 -1.743 10.066 -2.827 409 1HG2 VAL 54 HG21 VAL 54 -5.573 9.705 -2.424 410 2HG2 VAL 54 HG22 VAL 54 -4.681 8.183 -2.497 411 3HG2 VAL 54 HG23 VAL 54 -5.550 8.769 -3.918 412 H LEU 55 HN LEU 55 -2.119 11.986 -5.345 413 HA LEU 55 HA LEU 55 -0.654 13.240 -3.290 414 1HB LEU 55 HB2 LEU 55 -0.416 13.616 -6.268 415 2HB LEU 55 HB1 LEU 55 0.826 13.972 -5.085 416 HG LEU 55 HG LEU 55 -0.226 11.256 -5.882 417 1HD1 LEU 55 HD11 LEU 55 1.761 10.881 -6.918 418 2HD1 LEU 55 HD12 LEU 55 2.639 12.024 -5.900 419 3HD1 LEU 55 HD13 LEU 55 1.589 12.616 -7.189 420 1HD2 LEU 55 HD21 LEU 55 2.037 11.370 -4.008 421 2HD2 LEU 55 HD22 LEU 55 0.660 10.268 -4.067 422 3HD2 LEU 55 HD23 LEU 55 0.483 11.860 -3.331 423 H GLN 56 HN GLN 56 -2.527 14.621 -5.967 424 HA GLN 56 HA GLN 56 -2.128 17.313 -5.417 425 1HB GLN 56 HB2 GLN 56 -4.883 16.845 -6.148 426 2HB GLN 56 HB1 GLN 56 -3.611 17.636 -7.058 427 1HG GLN 56 HG2 GLN 56 -4.014 14.666 -6.908 428 2HG GLN 56 HG1 GLN 56 -4.609 15.700 -8.198 429 1HE2 GLN 56 HE21 GLN 56 -3.009 13.622 -8.789 430 2HE2 GLN 56 HE22 GLN 56 -1.451 14.180 -9.264 431 H GLN 57 HN GLN 57 -3.861 14.978 -3.691 432 HA GLN 57 HA GLN 57 -5.445 16.924 -2.213 433 1HB GLN 57 HB2 GLN 57 -5.495 14.217 -1.160 434 2HB GLN 57 HB1 GLN 57 -6.812 15.225 -1.738 435 1HG GLN 57 HG2 GLN 57 -5.356 14.397 -4.005 436 2HG GLN 57 HG1 GLN 57 -5.587 12.982 -2.992 437 1HE2 GLN 57 HE21 GLN 57 -6.886 12.159 -4.632 438 2HE2 GLN 57 HE22 GLN 57 -8.535 12.663 -4.804 439 H THR 58 HN THR 58 -2.495 15.131 -1.842 440 HA THR 58 HA THR 58 -2.348 15.895 0.991 441 HB THR 58 HB THR 58 -0.131 14.276 0.028 442 HG1 THR 58 HG1 THR 58 -1.209 12.669 -0.843 443 1HG2 THR 58 HG21 THR 58 -1.857 14.563 2.347 444 2HG2 THR 58 HG22 THR 58 -0.197 13.978 2.243 445 3HG2 THR 58 HG23 THR 58 -1.540 12.872 1.953 446 H GLY 59 HN GLY 59 0.325 15.320 -1.254 447 1HA GLY 59 HA2 GLY 59 1.281 18.059 -0.665 448 2HA GLY 59 HA1 GLY 59 2.356 16.670 -0.734 449 H HIS 60 HN HIS 60 0.406 15.871 -3.045 450 HA HIS 60 HA HIS 60 0.279 16.060 -5.317 451 1HB HIS 60 HB2 HIS 60 1.830 18.617 -5.023 452 2HB HIS 60 HB1 HIS 60 0.993 18.068 -6.466 453 HD1 HIS 60 HD1 HIS 60 -0.062 18.680 -2.842 454 HD2 HIS 60 HD2 HIS 60 -1.274 19.509 -6.728 455 HE1 HIS 60 HE1 HIS 60 -2.152 20.057 -2.614 456 HE2 HIS 60 HE2 HIS 60 -2.832 20.603 -4.977 457 H GLY 61 HN GLY 61 1.463 14.610 -6.343 458 1HA GLY 61 HA2 GLY 61 4.345 14.594 -6.035 459 2HA GLY 61 HA1 GLY 61 3.381 13.435 -6.955 460 H GLN 62 HN GLN 62 4.496 13.545 -8.863 461 HA GLN 62 HA GLN 62 5.474 14.515 -10.740 462 1HB GLN 62 HB2 GLN 62 3.499 15.952 -11.874 463 2HB GLN 62 HB1 GLN 62 3.526 14.195 -11.855 464 1HG GLN 62 HG2 GLN 62 2.187 15.705 -9.653 465 2HG GLN 62 HG1 GLN 62 1.367 15.441 -11.191 466 1HE2 GLN 62 HE21 GLN 62 0.390 14.454 -8.807 467 2HE2 GLN 62 HE22 GLN 62 0.491 12.730 -8.821 468 H ASP 63 HN ASP 63 5.976 16.048 -8.370 469 HA ASP 63 HA ASP 63 6.868 18.497 -9.556 470 1HB ASP 63 HB2 ASP 63 4.326 18.523 -8.299 471 2HB ASP 63 HB1 ASP 63 5.444 19.315 -7.191 472 H ALA 64 HN ALA 64 6.052 17.083 -6.387 473 HA ALA 64 HA ALA 64 8.508 17.967 -5.141 474 1HB ALA 64 HB1 ALA 64 7.295 15.821 -3.718 475 2HB ALA 64 HB2 ALA 64 6.010 16.857 -4.336 476 3HB ALA 64 HB3 ALA 64 7.281 17.539 -3.323 477 HA PRO 65 HA PRO 65 11.022 14.346 -6.035 478 1HB PRO 65 HB2 PRO 65 11.776 13.256 -3.678 479 2HB PRO 65 HB1 PRO 65 12.422 14.805 -4.243 480 1HG PRO 65 HG2 PRO 65 10.250 14.251 -2.274 481 2HG PRO 65 HG1 PRO 65 11.556 15.438 -2.190 482 1HD PRO 65 HD2 PRO 65 9.023 16.086 -2.894 483 2HD PRO 65 HD1 PRO 65 10.445 16.944 -3.521 484 H PHE 66 HN PHE 66 8.227 14.004 -5.924 485 HA PHE 66 HA PHE 66 7.313 11.804 -4.539 486 1HB PHE 66 HB2 PHE 66 5.354 12.330 -5.487 487 2HB PHE 66 HB1 PHE 66 6.212 13.732 -6.107 488 HD1 PHE 66 HD1 PHE 66 7.498 13.285 -8.385 489 HD2 PHE 66 HD2 PHE 66 4.161 11.042 -6.985 490 HE1 PHE 66 HE1 PHE 66 7.005 12.587 -10.691 491 HE2 PHE 66 HE2 PHE 66 3.665 10.338 -9.290 492 HZ PHE 66 HZ PHE 66 5.094 11.060 -11.132 493 H LYS 67 HN LYS 67 6.227 9.999 -5.649 494 HA LYS 67 HA LYS 67 7.058 8.804 -7.984 495 1HB LYS 67 HB2 LYS 67 8.901 8.375 -5.748 496 2HB LYS 67 HB1 LYS 67 8.244 6.860 -6.359 497 1HG LYS 67 HG2 LYS 67 9.025 8.490 -8.568 498 2HG LYS 67 HG1 LYS 67 10.355 8.404 -7.411 499 1HD LYS 67 HD2 LYS 67 8.982 5.856 -7.957 500 2HD LYS 67 HD1 LYS 67 9.878 6.542 -9.313 501 1HE LYS 67 HE2 LYS 67 10.994 6.038 -6.557 502 2HE LYS 67 HE1 LYS 67 11.246 5.004 -7.963 503 1HZ LYS 67 HZ1 LYS 67 12.025 7.372 -8.915 504 2HZ LYS 67 HZ2 LYS 67 13.077 6.255 -8.203 505 3HZ LYS 67 HZ3 LYS 67 12.468 7.543 -7.291 506 H VAL 68 HN VAL 68 5.270 7.654 -8.385 507 HA VAL 68 HA VAL 68 3.649 6.749 -6.152 508 HB VAL 68 HB VAL 68 2.440 7.897 -7.852 509 1HG1 VAL 68 HG11 VAL 68 2.480 7.436 -10.146 510 2HG1 VAL 68 HG12 VAL 68 3.236 5.860 -9.907 511 3HG1 VAL 68 HG13 VAL 68 4.170 7.334 -9.648 512 1HG2 VAL 68 HG21 VAL 68 1.447 5.336 -8.741 513 2HG2 VAL 68 HG22 VAL 68 0.699 6.524 -7.674 514 3HG2 VAL 68 HG23 VAL 68 1.803 5.318 -7.014 515 H VAL 69 HN VAL 69 4.214 4.862 -5.290 516 HA VAL 69 HA VAL 69 5.009 2.663 -7.070 517 HB VAL 69 HB VAL 69 5.140 1.781 -4.396 518 1HG1 VAL 69 HG11 VAL 69 7.188 1.118 -5.037 519 2HG1 VAL 69 HG12 VAL 69 7.631 2.716 -5.635 520 3HG1 VAL 69 HG13 VAL 69 6.652 1.642 -6.633 521 1HG2 VAL 69 HG21 VAL 69 6.613 4.388 -4.634 522 2HG2 VAL 69 HG22 VAL 69 6.392 3.376 -3.205 523 3HG2 VAL 69 HG23 VAL 69 5.026 4.266 -3.874 524 H ASP 70 HN ASP 70 4.217 0.451 -5.798 525 HA ASP 70 HA ASP 70 1.323 0.773 -5.394 526 1HB ASP 70 HB2 ASP 70 2.520 -0.385 -7.653 527 2HB ASP 70 HB1 ASP 70 1.903 -1.731 -6.700 528 H ILE 71 HN ILE 71 0.276 -0.889 -4.241 529 HA ILE 71 HA ILE 71 1.275 -1.713 -1.849 530 HB ILE 71 HB ILE 71 -1.034 -1.882 -2.505 531 1HG1 ILE 71 HG12 ILE 71 -1.622 -3.691 -1.227 532 2HG1 ILE 71 HG11 ILE 71 -0.417 -4.763 -1.952 533 1HG2 ILE 71 HG21 ILE 71 -0.995 -2.550 -4.723 534 2HG2 ILE 71 HG22 ILE 71 -1.683 -3.938 -3.881 535 3HG2 ILE 71 HG23 ILE 71 0.008 -3.959 -4.378 536 1HD1 ILE 71 HD11 ILE 71 0.225 -4.424 0.294 537 2HD1 ILE 71 HD12 ILE 71 -0.052 -2.685 0.205 538 3HD1 ILE 71 HD13 ILE 71 1.308 -3.406 -0.655 539 H ASP 72 HN ASP 72 1.553 -3.367 -4.934 540 HA ASP 72 HA ASP 72 2.976 -5.586 -3.766 541 1HB ASP 72 HB2 ASP 72 2.743 -6.639 -5.815 542 2HB ASP 72 HB1 ASP 72 1.330 -5.586 -5.800 543 H SER 73 HN SER 73 3.664 -2.624 -5.487 544 HA SER 73 HA SER 73 6.396 -3.297 -6.062 545 1HB SER 73 HB2 SER 73 4.567 -1.288 -6.870 546 2HB SER 73 HB1 SER 73 5.982 -0.479 -6.194 547 HG SER 73 HG SER 73 5.999 -2.470 -8.217 548 H PHE 74 HN PHE 74 4.976 -0.755 -3.867 549 HA PHE 74 HA PHE 74 7.484 -0.174 -2.712 550 1HB PHE 74 HB2 PHE 74 5.559 1.337 -2.470 551 2HB PHE 74 HB1 PHE 74 4.753 0.143 -1.456 552 HD1 PHE 74 HD1 PHE 74 7.803 2.247 -1.664 553 HD2 PHE 74 HD2 PHE 74 5.111 0.104 0.839 554 HE1 PHE 74 HE1 PHE 74 8.929 3.162 0.322 555 HE2 PHE 74 HE2 PHE 74 6.227 1.020 2.831 556 HZ PHE 74 HZ PHE 74 8.141 2.550 2.572 557 H PHE 75 HN PHE 75 5.214 -2.714 -2.190 558 HA PHE 75 HA PHE 75 6.702 -3.586 0.178 559 1HB PHE 75 HB2 PHE 75 4.054 -4.620 -0.860 560 2HB PHE 75 HB1 PHE 75 4.841 -5.079 0.652 561 HD1 PHE 75 HD1 PHE 75 3.475 -2.151 -1.169 562 HD2 PHE 75 HD2 PHE 75 4.399 -3.874 2.610 563 HE1 PHE 75 HE1 PHE 75 2.379 -0.262 -0.065 564 HE2 PHE 75 HE2 PHE 75 3.301 -1.980 3.761 565 HZ PHE 75 HZ PHE 75 2.285 -0.168 2.408 566 H SER 76 HN SER 76 6.933 -3.809 -2.968 567 HA SER 76 HA SER 76 7.265 -6.592 -3.483 568 1HB SER 76 HB2 SER 76 7.113 -4.788 -5.289 569 2HB SER 76 HB1 SER 76 8.756 -4.327 -4.850 570 HG SER 76 HG SER 76 8.942 -6.857 -5.189 571 H ARG 77 HN ARG 77 9.454 -3.898 -2.859 572 HA ARG 77 HA ARG 77 11.839 -5.260 -2.490 573 1HB ARG 77 HB2 ARG 77 12.322 -3.395 -0.777 574 2HB ARG 77 HB1 ARG 77 11.975 -2.906 -2.430 575 1HG ARG 77 HG2 ARG 77 9.511 -2.754 -1.517 576 2HG ARG 77 HG1 ARG 77 10.340 -2.581 0.029 577 1HD ARG 77 HD2 ARG 77 9.785 -0.444 -1.181 578 2HD ARG 77 HD1 ARG 77 11.465 -0.639 -0.684 579 HE ARG 77 HE ARG 77 11.305 -1.591 -3.273 580 1HH1 ARG 77 HH11 ARG 77 10.743 1.426 -1.623 581 2HH1 ARG 77 HH12 ARG 77 11.173 2.403 -2.987 582 1HH2 ARG 77 HH21 ARG 77 11.876 -0.311 -5.077 583 2HH2 ARG 77 HH22 ARG 77 11.816 1.416 -4.950 584 H ALA 78 HN ALA 78 8.980 -5.094 -0.588 585 HA ALA 78 HA ALA 78 10.090 -6.246 1.788 586 1HB ALA 78 HB1 ALA 78 8.042 -5.943 2.746 587 2HB ALA 78 HB2 ALA 78 7.179 -6.397 1.274 588 3HB ALA 78 HB3 ALA 78 7.885 -4.785 1.424 589 H THR 79 HN THR 79 11.083 -8.088 1.041 590 HA THR 79 HA THR 79 10.918 -10.458 1.107 591 HB THR 79 HB THR 79 8.437 -10.273 -0.596 592 HG1 THR 79 HG1 THR 79 8.258 -11.107 2.057 593 1HG2 THR 79 HG21 THR 79 8.280 -12.650 0.586 594 2HG2 THR 79 HG22 THR 79 10.034 -12.464 0.613 595 3HG2 THR 79 HG23 THR 79 9.165 -12.411 -0.921 596 H THR 80 HN THR 80 10.984 -8.093 -1.265 597 HA THR 80 HA THR 80 11.422 -9.609 -3.592 598 HB THR 80 HB THR 80 11.698 -6.818 -2.822 599 HG1 THR 80 HG1 THR 80 11.314 -6.883 -5.320 600 1HG2 THR 80 HG21 THR 80 13.335 -6.126 -4.439 601 2HG2 THR 80 HG22 THR 80 13.573 -7.788 -4.980 602 3HG2 THR 80 HG23 THR 80 14.091 -7.303 -3.365 603 HA PRO 81 HA PRO 81 15.418 -11.378 -3.037 604 1HB PRO 81 HB2 PRO 81 15.659 -11.087 -5.973 605 2HB PRO 81 HB1 PRO 81 15.683 -12.554 -4.986 606 1HG PRO 81 HG2 PRO 81 13.542 -12.056 -6.439 607 2HG PRO 81 HG1 PRO 81 13.343 -12.575 -4.763 608 1HD PRO 81 HD2 PRO 81 13.287 -9.801 -5.832 609 2HD PRO 81 HD1 PRO 81 12.065 -10.621 -4.845 610 H GLN 82 HN GLN 82 17.038 -10.278 -2.208 611 HA GLN 82 HA GLN 82 17.801 -7.715 -2.651 612 1HB GLN 82 HB2 GLN 82 20.032 -9.660 -2.352 613 2HB GLN 82 HB1 GLN 82 19.732 -8.161 -1.489 614 1HG GLN 82 HG2 GLN 82 19.255 -9.562 0.199 615 2HG GLN 82 HG1 GLN 82 17.674 -9.612 -0.580 616 1HE2 GLN 82 HE21 GLN 82 18.667 -11.128 -2.858 617 2HE2 GLN 82 HE22 GLN 82 18.899 -12.745 -2.300 618 H ASP 83 HN ASP 83 18.649 -10.566 -4.467 619 HA ASP 83 HA ASP 83 18.734 -9.561 -6.941 620 1HB ASP 83 HB2 ASP 83 20.835 -8.331 -5.570 621 2HB ASP 83 HB1 ASP 83 21.609 -9.582 -6.542 622 H TRP 84 HN TRP 84 20.134 -11.738 -4.642 623 HA TRP 84 HA TRP 84 20.997 -13.476 -6.811 624 1HB TRP 84 HB2 TRP 84 21.972 -14.809 -4.793 625 2HB TRP 84 HB1 TRP 84 22.756 -13.351 -5.378 626 HD1 TRP 84 HD1 TRP 84 20.649 -14.614 -2.415 627 HE1 TRP 84 HE1 TRP 84 20.976 -12.936 -0.476 628 HE3 TRP 84 HE3 TRP 84 23.293 -11.076 -4.902 629 HZ2 TRP 84 HZ2 TRP 84 22.213 -10.402 -0.085 630 HZ3 TRP 84 HZ3 TRP 84 24.007 -9.077 -3.727 631 HH2 TRP 84 HH2 TRP 84 23.490 -8.723 -1.356 632 H TYR 85 HN TYR 85 18.830 -13.560 -3.969 633 HA TYR 85 HA TYR 85 17.879 -15.717 -3.258 634 1HB TYR 85 HB2 TYR 85 16.314 -13.794 -4.873 635 2HB TYR 85 HB1 TYR 85 15.550 -15.345 -4.549 636 HD1 TYR 85 HD1 TYR 85 17.857 -14.318 -1.996 637 HD2 TYR 85 HD2 TYR 85 13.841 -13.884 -3.337 638 HE1 TYR 85 HE1 TYR 85 17.202 -13.527 0.236 639 HE2 TYR 85 HE2 TYR 85 13.179 -13.089 -1.107 640 HH TYR 85 HH TYR 85 14.705 -13.564 1.546 641 H GLU 86 HN GLU 86 16.038 -15.841 -6.164 642 HA GLU 86 HA GLU 86 17.746 -17.750 -7.468 643 1HB GLU 86 HB2 GLU 86 15.338 -19.212 -7.196 644 2HB GLU 86 HB1 GLU 86 16.938 -19.646 -6.619 645 1HG GLU 86 HG2 GLU 86 15.476 -17.742 -4.931 646 2HG GLU 86 HG1 GLU 86 14.764 -19.352 -5.051 647 H ASP 87 HN ASP 87 17.132 -18.065 -9.618 648 HA ASP 87 HA ASP 87 15.729 -16.047 -10.855 649 1HB ASP 87 HB2 ASP 87 15.455 -17.710 -12.786 650 2HB ASP 87 HB1 ASP 87 17.101 -17.415 -12.233 651 H GLU 88 HN GLU 88 14.575 -18.796 -9.173 652 HA GLU 88 HA GLU 88 11.891 -18.615 -10.227 653 1HB GLU 88 HB2 GLU 88 11.409 -20.412 -8.539 654 2HB GLU 88 HB1 GLU 88 12.622 -20.835 -9.739 655 1HG GLU 88 HG2 GLU 88 14.391 -20.409 -8.151 656 2HG GLU 88 HG1 GLU 88 13.214 -19.872 -6.953 657 H GLU 89 HN GLU 89 13.496 -18.166 -7.090 658 HA GLU 89 HA GLU 89 11.259 -17.187 -5.720 659 1HB GLU 89 HB2 GLU 89 14.145 -17.266 -5.314 660 2HB GLU 89 HB1 GLU 89 13.344 -15.936 -4.510 661 1HG GLU 89 HG2 GLU 89 11.692 -17.889 -3.782 662 2HG GLU 89 HG1 GLU 89 13.159 -18.841 -4.004 663 H ASN 90 HN ASN 90 13.269 -15.703 -8.094 664 HA ASN 90 HA ASN 90 13.073 -13.064 -7.279 665 1HB ASN 90 HB2 ASN 90 13.521 -14.446 -9.847 666 2HB ASN 90 HB1 ASN 90 12.813 -12.841 -10.006 667 1HD2 ASN 90 HD21 ASN 90 15.238 -14.286 -7.855 668 2HD2 ASN 90 HD22 ASN 90 16.458 -13.099 -8.154 669 H ALA 91 HN ALA 91 11.010 -14.867 -9.496 670 HA ALA 91 HA ALA 91 8.851 -12.959 -9.208 671 1HB ALA 91 HB1 ALA 91 9.443 -14.007 -11.404 672 2HB ALA 91 HB2 ALA 91 7.748 -14.166 -10.944 673 3HB ALA 91 HB3 ALA 91 8.844 -15.537 -10.764 674 H VAL 92 HN VAL 92 9.895 -15.858 -7.689 675 HA VAL 92 HA VAL 92 7.230 -16.713 -6.926 676 HB VAL 92 HB VAL 92 9.994 -17.706 -6.287 677 1HG1 VAL 92 HG11 VAL 92 9.245 -19.191 -4.636 678 2HG1 VAL 92 HG12 VAL 92 7.549 -18.885 -5.004 679 3HG1 VAL 92 HG13 VAL 92 8.513 -17.647 -4.201 680 1HG2 VAL 92 HG21 VAL 92 7.790 -19.501 -7.085 681 2HG2 VAL 92 HG22 VAL 92 9.473 -19.461 -7.612 682 3HG2 VAL 92 HG23 VAL 92 8.311 -18.321 -8.289 683 H VAL 93 HN VAL 93 10.051 -15.250 -5.410 684 HA VAL 93 HA VAL 93 8.982 -14.987 -2.872 685 HB VAL 93 HB VAL 93 11.390 -14.323 -3.973 686 1HG1 VAL 93 HG11 VAL 93 9.952 -11.762 -3.328 687 2HG1 VAL 93 HG12 VAL 93 10.682 -12.228 -4.863 688 3HG1 VAL 93 HG13 VAL 93 11.704 -11.908 -3.462 689 1HG2 VAL 93 HG21 VAL 93 10.839 -13.040 -1.385 690 2HG2 VAL 93 HG22 VAL 93 12.043 -14.253 -1.823 691 3HG2 VAL 93 HG23 VAL 93 10.379 -14.740 -1.501 692 H ALA 94 HN ALA 94 8.673 -13.017 -5.782 693 HA ALA 94 HA ALA 94 7.265 -10.840 -4.565 694 1HB ALA 94 HB1 ALA 94 7.109 -9.982 -6.672 695 2HB ALA 94 HB2 ALA 94 6.711 -11.537 -7.400 696 3HB ALA 94 HB3 ALA 94 8.383 -11.161 -6.983 697 H LYS 95 HN LYS 95 6.350 -14.026 -5.744 698 HA LYS 95 HA LYS 95 3.591 -13.661 -5.995 699 1HB LYS 95 HB2 LYS 95 4.890 -16.096 -4.746 700 2HB LYS 95 HB1 LYS 95 3.312 -16.019 -5.511 701 1HG LYS 95 HG2 LYS 95 6.001 -15.824 -6.835 702 2HG LYS 95 HG1 LYS 95 4.808 -17.111 -6.997 703 1HD LYS 95 HD2 LYS 95 3.615 -14.595 -7.675 704 2HD LYS 95 HD1 LYS 95 5.113 -14.812 -8.586 705 1HE LYS 95 HE2 LYS 95 3.843 -15.999 -10.001 706 2HE LYS 95 HE1 LYS 95 3.978 -17.279 -8.796 707 1HZ LYS 95 HZ1 LYS 95 1.697 -17.029 -9.328 708 2HZ LYS 95 HZ2 LYS 95 1.750 -15.349 -9.129 709 3HZ LYS 95 HZ3 LYS 95 1.907 -16.364 -7.785 710 H PHE 96 HN PHE 96 5.719 -13.816 -3.267 711 HA PHE 96 HA PHE 96 3.670 -14.049 -1.288 712 1HB PHE 96 HB2 PHE 96 6.358 -14.373 -1.177 713 2HB PHE 96 HB1 PHE 96 6.222 -12.742 -0.527 714 HD1 PHE 96 HD1 PHE 96 3.761 -12.846 1.008 715 HD2 PHE 96 HD2 PHE 96 6.837 -15.762 0.609 716 HE1 PHE 96 HE1 PHE 96 3.167 -13.772 3.209 717 HE2 PHE 96 HE2 PHE 96 6.248 -16.690 2.809 718 HZ PHE 96 HZ PHE 96 4.421 -15.700 4.113 719 H GLN 97 HN GLN 97 5.760 -11.285 -2.231 720 HA GLN 97 HA GLN 97 4.534 -9.258 -0.846 721 1HB GLN 97 HB2 GLN 97 5.367 -9.099 -3.751 722 2HB GLN 97 HB1 GLN 97 5.341 -7.787 -2.599 723 1HG GLN 97 HG2 GLN 97 7.302 -8.392 -1.641 724 2HG GLN 97 HG1 GLN 97 7.040 -10.108 -1.942 725 1HE2 GLN 97 HE21 GLN 97 9.156 -10.285 -2.678 726 2HE2 GLN 97 HE22 GLN 97 9.595 -9.756 -4.254 727 H LYS 98 HN LYS 98 3.389 -11.069 -3.529 728 HA LYS 98 HA LYS 98 1.208 -9.374 -4.294 729 1HB LYS 98 HB2 LYS 98 2.007 -10.692 -6.035 730 2HB LYS 98 HB1 LYS 98 2.246 -12.091 -4.993 731 1HG LYS 98 HG2 LYS 98 0.011 -12.714 -5.114 732 2HG LYS 98 HG1 LYS 98 -0.510 -11.113 -5.642 733 1HD LYS 98 HD2 LYS 98 -0.463 -12.975 -7.396 734 2HD LYS 98 HD1 LYS 98 0.298 -11.443 -7.820 735 1HE LYS 98 HE2 LYS 98 2.310 -12.985 -6.608 736 2HE LYS 98 HE1 LYS 98 1.446 -14.083 -7.683 737 1HZ LYS 98 HZ1 LYS 98 2.674 -13.215 -9.300 738 2HZ LYS 98 HZ2 LYS 98 3.230 -11.950 -8.326 739 3HZ LYS 98 HZ3 LYS 98 1.760 -11.799 -9.149 740 H LEU 99 HN LEU 99 1.376 -12.625 -2.835 741 HA LEU 99 HA LEU 99 -1.333 -12.699 -2.066 742 1HB LEU 99 HB2 LEU 99 1.072 -14.188 -1.015 743 2HB LEU 99 HB1 LEU 99 -0.576 -14.527 -0.516 744 HG LEU 99 HG LEU 99 -0.103 -14.557 -3.429 745 1HD1 LEU 99 HD11 LEU 99 1.858 -15.686 -3.049 746 2HD1 LEU 99 HD12 LEU 99 0.693 -17.009 -3.089 747 3HD1 LEU 99 HD13 LEU 99 1.284 -16.400 -1.543 748 1HD2 LEU 99 HD21 LEU 99 -2.250 -15.117 -2.249 749 2HD2 LEU 99 HD22 LEU 99 -1.448 -16.562 -1.634 750 3HD2 LEU 99 HD23 LEU 99 -1.660 -16.344 -3.371 751 H LEU 100 HN LEU 100 1.378 -11.106 -0.932 752 HA LEU 100 HA LEU 100 0.989 -10.759 1.789 753 1HB LEU 100 HB2 LEU 100 2.980 -9.893 0.853 754 2HB LEU 100 HB1 LEU 100 2.079 -9.081 -0.406 755 HG LEU 100 HG LEU 100 1.245 -7.919 1.986 756 1HD1 LEU 100 HD11 LEU 100 3.077 -8.575 3.251 757 2HD1 LEU 100 HD12 LEU 100 3.566 -6.994 2.642 758 3HD1 LEU 100 HD13 LEU 100 4.182 -8.461 1.882 759 1HD2 LEU 100 HD21 LEU 100 2.472 -7.180 -0.539 760 2HD2 LEU 100 HD22 LEU 100 2.979 -6.139 0.791 761 3HD2 LEU 100 HD23 LEU 100 1.266 -6.325 0.423 762 H GLU 101 HN GLU 101 -0.033 -8.604 -0.870 763 HA GLU 101 HA GLU 101 -1.961 -7.384 0.934 764 1HB GLU 101 HB2 GLU 101 -1.691 -5.629 -0.364 765 2HB GLU 101 HB1 GLU 101 -0.559 -6.553 -1.342 766 1HG GLU 101 HG2 GLU 101 -2.165 -5.588 -2.796 767 2HG GLU 101 HG1 GLU 101 -2.500 -7.314 -2.714 768 H VAL 102 HN VAL 102 -2.027 -9.063 -2.142 769 HA VAL 102 HA VAL 102 -4.702 -9.110 -2.621 770 HB VAL 102 HB VAL 102 -2.463 -10.240 -3.719 771 1HG1 VAL 102 HG11 VAL 102 -4.286 -12.592 -3.532 772 2HG1 VAL 102 HG12 VAL 102 -3.220 -12.273 -2.164 773 3HG1 VAL 102 HG13 VAL 102 -2.539 -12.529 -3.772 774 1HG2 VAL 102 HG21 VAL 102 -5.316 -10.019 -4.380 775 2HG2 VAL 102 HG22 VAL 102 -4.444 -11.252 -5.290 776 3HG2 VAL 102 HG23 VAL 102 -3.890 -9.578 -5.319 777 H ILE 103 HN ILE 103 -2.866 -11.183 -0.436 778 HA ILE 103 HA ILE 103 -5.383 -12.450 0.383 779 HB ILE 103 HB ILE 103 -2.761 -13.464 0.093 780 1HG1 ILE 103 HG12 ILE 103 -5.160 -14.873 1.248 781 2HG1 ILE 103 HG11 ILE 103 -5.021 -14.471 -0.460 782 1HG2 ILE 103 HG21 ILE 103 -3.743 -13.456 2.929 783 2HG2 ILE 103 HG22 ILE 103 -2.149 -13.019 2.315 784 3HG2 ILE 103 HG23 ILE 103 -2.659 -14.706 2.318 785 1HD1 ILE 103 HD11 ILE 103 -3.735 -16.593 1.092 786 2HD1 ILE 103 HD12 ILE 103 -2.674 -15.751 -0.038 787 3HD1 ILE 103 HD13 ILE 103 -4.149 -16.523 -0.621 788 H LYS 104 HN LYS 104 -2.553 -10.755 1.806 789 HA LYS 104 HA LYS 104 -3.923 -10.701 4.340 790 1HB LYS 104 HB2 LYS 104 -1.798 -11.002 4.913 791 2HB LYS 104 HB1 LYS 104 -1.186 -10.187 3.488 792 1HG LYS 104 HG2 LYS 104 -2.388 -8.701 5.797 793 2HG LYS 104 HG1 LYS 104 -0.673 -9.111 5.708 794 1HD LYS 104 HD2 LYS 104 -1.636 -7.968 3.257 795 2HD LYS 104 HD1 LYS 104 -1.926 -6.881 4.613 796 1HE LYS 104 HE2 LYS 104 0.360 -6.810 3.302 797 2HE LYS 104 HE1 LYS 104 0.326 -6.611 5.055 798 1HZ LYS 104 HZ1 LYS 104 0.875 -8.944 5.303 799 2HZ LYS 104 HZ2 LYS 104 2.041 -8.164 4.361 800 3HZ LYS 104 HZ3 LYS 104 0.886 -9.153 3.624 801 H SER 105 HN SER 105 -3.295 -8.262 1.815 802 HA SER 105 HA SER 105 -4.260 -6.158 3.557 803 1HB SER 105 HB2 SER 105 -2.877 -6.141 1.148 804 2HB SER 105 HB1 SER 105 -4.502 -5.619 0.714 805 HG SER 105 HG SER 105 -3.535 -3.782 1.308 806 H ASN 106 HN ASN 106 -5.413 -8.335 1.249 807 HA ASN 106 HA ASN 106 -7.335 -9.217 0.753 808 1HB ASN 106 HB2 ASN 106 -8.457 -7.565 3.002 809 2HB ASN 106 HB1 ASN 106 -9.334 -8.835 2.154 810 1HD2 ASN 106 HD21 ASN 106 -6.325 -8.261 3.865 811 2HD2 ASN 106 HD22 ASN 106 -6.259 -9.788 4.653 812 H LEU 107 HN LEU 107 -7.556 -5.808 1.386 813 HA LEU 107 HA LEU 107 -9.704 -5.287 -0.429 814 1HB LEU 107 HB2 LEU 107 -9.825 -3.406 0.724 815 2HB LEU 107 HB1 LEU 107 -8.467 -3.961 1.680 816 HG LEU 107 HG LEU 107 -7.351 -2.839 -0.616 817 1HD1 LEU 107 HD11 LEU 107 -9.040 -0.697 0.487 818 2HD1 LEU 107 HD12 LEU 107 -9.840 -1.851 -0.581 819 3HD1 LEU 107 HD13 LEU 107 -8.441 -0.943 -1.153 820 1HD2 LEU 107 HD21 LEU 107 -6.818 -2.836 1.976 821 2HD2 LEU 107 HD22 LEU 107 -7.566 -1.243 1.865 822 3HD2 LEU 107 HD23 LEU 107 -6.152 -1.624 0.880 823 H LYS 108 HN LYS 108 -9.389 -3.499 -2.125 824 HA LYS 108 HA LYS 108 -7.942 -4.497 -4.219 825 1HB LYS 108 HB2 LYS 108 -9.293 -2.876 -5.046 826 2HB LYS 108 HB1 LYS 108 -9.163 -1.886 -3.599 827 1HG LYS 108 HG2 LYS 108 -7.678 -0.557 -4.596 828 2HG LYS 108 HG1 LYS 108 -6.643 -1.936 -4.945 829 1HD LYS 108 HD2 LYS 108 -8.199 -2.447 -6.864 830 2HD LYS 108 HD1 LYS 108 -8.833 -0.812 -6.645 831 1HE LYS 108 HE2 LYS 108 -6.365 -0.083 -6.772 832 2HE LYS 108 HE1 LYS 108 -6.078 -1.686 -7.450 833 1HZ LYS 108 HZ1 LYS 108 -7.660 -1.190 -9.206 834 2HZ LYS 108 HZ2 LYS 108 -6.428 -0.032 -9.181 835 3HZ LYS 108 HZ3 LYS 108 -7.951 0.343 -8.551 836 H ASN 109 HN ASN 109 -5.917 -4.410 -4.880 837 HA ASN 109 HA ASN 109 -3.777 -4.028 -3.245 838 1HB ASN 109 HB2 ASN 109 -3.843 -3.541 -6.236 839 2HB ASN 109 HB1 ASN 109 -2.445 -4.006 -5.278 840 1HD2 ASN 109 HD21 ASN 109 -4.470 -5.646 -3.683 841 2HD2 ASN 109 HD22 ASN 109 -4.547 -7.110 -4.568 842 HA PRO 110 HA PRO 110 -4.389 0.458 -2.550 843 1HB PRO 110 HB2 PRO 110 -1.900 -0.139 -1.008 844 2HB PRO 110 HB1 PRO 110 -3.299 0.844 -0.546 845 1HG PRO 110 HG2 PRO 110 -3.001 -1.599 0.435 846 2HG PRO 110 HG1 PRO 110 -4.603 -1.022 -0.063 847 1HD PRO 110 HD2 PRO 110 -2.764 -2.928 -1.439 848 2HD PRO 110 HD1 PRO 110 -4.536 -2.924 -1.371 849 H GLN 111 HN GLN 111 -3.195 2.299 -3.060 850 HA GLN 111 HA GLN 111 -0.956 1.775 -4.903 851 1HB GLN 111 HB2 GLN 111 -2.061 4.466 -5.042 852 2HB GLN 111 HB1 GLN 111 -1.837 3.288 -6.325 853 1HG GLN 111 HG2 GLN 111 -4.104 2.836 -4.469 854 2HG GLN 111 HG1 GLN 111 -4.235 4.193 -5.587 855 1HE2 GLN 111 HE21 GLN 111 -3.148 0.811 -5.637 856 2HE2 GLN 111 HE22 GLN 111 -3.950 0.396 -7.111 857 H VAL 112 HN VAL 112 1.011 2.394 -4.296 858 HA VAL 112 HA VAL 112 1.341 3.820 -1.830 859 HB VAL 112 HB VAL 112 3.597 3.141 -3.672 860 1HG1 VAL 112 HG11 VAL 112 3.246 3.659 -0.743 861 2HG1 VAL 112 HG12 VAL 112 4.387 4.384 -1.873 862 3HG1 VAL 112 HG13 VAL 112 4.619 2.723 -1.329 863 1HG2 VAL 112 HG21 VAL 112 1.846 1.243 -3.114 864 2HG2 VAL 112 HG22 VAL 112 2.719 1.221 -1.583 865 3HG2 VAL 112 HG23 VAL 112 3.583 0.933 -3.093 866 H TYR 113 HN TYR 113 2.244 5.806 -1.485 867 HA TYR 113 HA TYR 113 2.752 7.516 -3.829 868 1HB TYR 113 HB2 TYR 113 1.264 8.474 -1.382 869 2HB TYR 113 HB1 TYR 113 1.462 9.309 -2.919 870 HD1 TYR 113 HD1 TYR 113 -0.596 7.071 -1.006 871 HD2 TYR 113 HD2 TYR 113 0.309 8.331 -4.966 872 HE1 TYR 113 HE1 TYR 113 -2.739 6.148 -1.787 873 HE2 TYR 113 HE2 TYR 113 -1.836 7.430 -5.762 874 HH TYR 113 HH TYR 113 -4.169 6.004 -3.504 875 H ARG 114 HN ARG 114 4.804 8.251 -3.679 876 HA ARG 114 HA ARG 114 5.970 8.625 -0.990 877 1HB ARG 114 HB2 ARG 114 7.473 8.353 -3.595 878 2HB ARG 114 HB1 ARG 114 8.150 8.342 -1.975 879 1HG ARG 114 HG2 ARG 114 7.311 6.199 -1.528 880 2HG ARG 114 HG1 ARG 114 6.213 6.247 -2.908 881 1HD ARG 114 HD2 ARG 114 8.437 4.888 -3.048 882 2HD ARG 114 HD1 ARG 114 7.894 5.840 -4.428 883 HE ARG 114 HE ARG 114 9.463 7.610 -3.472 884 1HH1 ARG 114 HH11 ARG 114 9.989 4.178 -3.171 885 2HH1 ARG 114 HH12 ARG 114 11.712 4.323 -3.067 886 1HH2 ARG 114 HH21 ARG 114 11.729 7.807 -3.332 887 2HH2 ARG 114 HH22 ARG 114 12.701 6.384 -3.157 888 H LEU 115 HN LEU 115 5.685 10.788 -0.469 889 HA LEU 115 HA LEU 115 6.827 12.669 -2.428 890 1HB LEU 115 HB2 LEU 115 4.602 13.540 -0.646 891 2HB LEU 115 HB1 LEU 115 5.170 14.252 -2.143 892 HG LEU 115 HG LEU 115 4.286 11.870 -3.064 893 1HD1 LEU 115 HD11 LEU 115 3.390 10.967 -1.107 894 2HD1 LEU 115 HD12 LEU 115 1.992 11.652 -1.935 895 3HD1 LEU 115 HD13 LEU 115 2.727 12.516 -0.585 896 1HD2 LEU 115 HD21 LEU 115 3.643 14.516 -3.345 897 2HD2 LEU 115 HD22 LEU 115 2.124 13.815 -2.782 898 3HD2 LEU 115 HD23 LEU 115 2.903 13.184 -4.233 899 H GLY 116 HN GLY 116 8.674 13.315 -1.558 900 1HA GLY 116 HA2 GLY 116 8.987 15.151 0.341 901 2HA GLY 116 HA1 GLY 116 8.961 13.670 1.306 902 H GLU 117 HN GLU 117 11.053 15.787 0.348 903 HA GLU 117 HA GLU 117 12.974 13.979 -0.841 904 1HB GLU 117 HB2 GLU 117 14.216 16.474 -0.335 905 2HB GLU 117 HB1 GLU 117 13.708 15.818 -1.883 906 1HG GLU 117 HG2 GLU 117 11.536 16.868 -1.655 907 2HG GLU 117 HG1 GLU 117 11.976 17.466 -0.050 908 H VAL 118 HN VAL 118 14.055 12.766 0.446 909 HA VAL 118 HA VAL 118 15.847 12.419 1.951 910 HB VAL 118 HB VAL 118 14.667 14.736 3.482 911 1HG1 VAL 118 HG11 VAL 118 17.071 13.191 4.385 912 2HG1 VAL 118 HG12 VAL 118 15.447 12.738 4.902 913 3HG1 VAL 118 HG13 VAL 118 16.081 14.336 5.291 914 1HG2 VAL 118 HG21 VAL 118 16.878 15.726 3.147 915 2HG2 VAL 118 HG22 VAL 118 16.120 15.322 1.608 916 3HG2 VAL 118 HG23 VAL 118 17.391 14.290 2.263 917 H GLU 119 HN GLU 119 12.618 13.196 3.131 918 HA GLU 119 HA GLU 119 12.350 10.478 4.130 919 1HB GLU 119 HB2 GLU 119 11.501 12.880 5.745 920 2HB GLU 119 HB1 GLU 119 11.434 11.201 6.198 921 1HG GLU 119 HG2 GLU 119 14.078 11.538 5.673 922 2HG GLU 119 HG1 GLU 119 13.590 13.063 6.391 923 H LEU 120 HN LEU 120 11.127 10.290 2.210 924 HA LEU 120 HA LEU 120 8.854 11.954 1.768 925 1HB LEU 120 HB2 LEU 120 8.464 10.558 -0.168 926 2HB LEU 120 HB1 LEU 120 10.166 10.957 -0.059 927 HG LEU 120 HG LEU 120 10.414 8.648 1.100 928 1HD1 LEU 120 HD11 LEU 120 8.572 7.210 -0.295 929 2HD1 LEU 120 HD12 LEU 120 7.622 8.603 0.224 930 3HD1 LEU 120 HD13 LEU 120 8.457 7.609 1.418 931 1HD2 LEU 120 HD21 LEU 120 10.375 7.584 -1.263 932 2HD2 LEU 120 HD22 LEU 120 11.494 8.905 -0.927 933 3HD2 LEU 120 HD23 LEU 120 9.997 9.219 -1.804 934 H ASP 121 HN ASP 121 6.737 11.501 2.122 935 HA ASP 121 HA ASP 121 6.210 9.425 4.085 936 1HB ASP 121 HB2 ASP 121 4.464 11.624 2.948 937 2HB ASP 121 HB1 ASP 121 3.926 10.464 4.159 938 H VAL 122 HN VAL 122 5.658 7.469 3.436 939 HA VAL 122 HA VAL 122 4.642 7.084 0.743 940 HB VAL 122 HB VAL 122 6.018 5.394 2.715 941 1HG1 VAL 122 HG11 VAL 122 3.786 4.287 2.611 942 2HG1 VAL 122 HG12 VAL 122 5.109 3.290 2.007 943 3HG1 VAL 122 HG13 VAL 122 4.018 4.087 0.874 944 1HG2 VAL 122 HG21 VAL 122 6.187 6.153 -0.037 945 2HG2 VAL 122 HG22 VAL 122 6.240 4.397 0.103 946 3HG2 VAL 122 HG23 VAL 122 7.402 5.388 0.984 947 H TYR 123 HN TYR 123 2.590 6.763 0.270 948 HA TYR 123 HA TYR 123 0.777 5.968 2.450 949 1HB TYR 123 HB2 TYR 123 0.156 7.921 0.226 950 2HB TYR 123 HB1 TYR 123 -0.976 7.360 1.454 951 HD1 TYR 123 HD1 TYR 123 0.439 7.584 3.947 952 HD2 TYR 123 HD2 TYR 123 0.623 10.147 0.554 953 HE1 TYR 123 HE1 TYR 123 1.119 9.450 5.399 954 HE2 TYR 123 HE2 TYR 123 1.303 12.017 1.996 955 HH TYR 123 HH TYR 123 1.259 12.711 4.256 956 H VAL 124 HN VAL 124 -0.576 4.351 1.988 957 HA VAL 124 HA VAL 124 -0.785 3.513 -0.818 958 HB VAL 124 HB VAL 124 -0.982 1.291 1.043 959 1HG1 VAL 124 HG11 VAL 124 -0.153 0.160 -0.699 960 2HG1 VAL 124 HG12 VAL 124 1.169 1.305 -0.930 961 3HG1 VAL 124 HG13 VAL 124 -0.428 1.655 -1.593 962 1HG2 VAL 124 HG21 VAL 124 1.769 2.479 0.831 963 2HG2 VAL 124 HG22 VAL 124 1.229 1.133 1.836 964 3HG2 VAL 124 HG23 VAL 124 0.713 2.777 2.213 965 H ILE 125 HN ILE 125 -2.879 3.448 -1.419 966 HA ILE 125 HA ILE 125 -4.847 2.677 0.623 967 HB ILE 125 HB ILE 125 -5.119 5.158 -1.107 968 1HG1 ILE 125 HG12 ILE 125 -5.439 5.929 1.495 969 2HG1 ILE 125 HG11 ILE 125 -4.217 4.673 1.659 970 1HG2 ILE 125 HG21 ILE 125 -7.210 3.809 -0.714 971 2HG2 ILE 125 HG22 ILE 125 -7.258 5.468 -0.116 972 3HG2 ILE 125 HG23 ILE 125 -7.005 4.133 1.008 973 1HD1 ILE 125 HD11 ILE 125 -3.006 5.929 -0.238 974 2HD1 ILE 125 HD12 ILE 125 -2.969 6.594 1.396 975 3HD1 ILE 125 HD13 ILE 125 -4.070 7.267 0.193 976 H GLY 126 HN GLY 126 -6.270 1.355 -0.077 977 1HA GLY 126 HA2 GLY 126 -6.392 0.689 -2.917 978 2HA GLY 126 HA1 GLY 126 -6.984 -0.278 -1.578 979 H GLU 127 HN GLU 127 -8.779 -0.396 -3.085 980 HA GLU 127 HA GLU 127 -10.775 1.355 -2.036 981 1HB GLU 127 HB2 GLU 127 -11.610 2.215 -4.120 982 2HB GLU 127 HB1 GLU 127 -9.894 2.604 -3.972 983 1HG GLU 127 HG2 GLU 127 -9.302 1.387 -5.752 984 2HG GLU 127 HG1 GLU 127 -10.405 0.078 -5.354 985 H THR 128 HN THR 128 -11.727 -0.418 -1.141 986 HA THR 128 HA THR 128 -13.538 -1.743 -2.907 987 HB THR 128 HB THR 128 -12.922 -4.046 -1.851 988 HG1 THR 128 HG1 THR 128 -10.459 -2.626 -1.692 989 1HG2 THR 128 HG21 THR 128 -12.386 -4.513 -3.959 990 2HG2 THR 128 HG22 THR 128 -10.850 -3.663 -3.795 991 3HG2 THR 128 HG23 THR 128 -12.298 -2.784 -4.289 992 HA PRO 129 HA PRO 129 -14.850 -1.742 1.671 993 1HB PRO 129 HB2 PRO 129 -15.356 1.092 1.882 994 2HB PRO 129 HB1 PRO 129 -14.239 0.127 2.834 995 1HG PRO 129 HG2 PRO 129 -13.435 2.085 1.102 996 2HG PRO 129 HG1 PRO 129 -12.415 0.690 1.533 997 1HD PRO 129 HD2 PRO 129 -14.114 1.113 -0.896 998 2HD PRO 129 HD1 PRO 129 -12.485 0.440 -0.750 999 H ALA 130 HN ALA 130 -15.575 0.787 -0.497 1000 HA ALA 130 HA ALA 130 -18.248 -0.161 -1.138 1001 1HB ALA 130 HB1 ALA 130 -17.452 2.757 -0.959 1002 2HB ALA 130 HB2 ALA 130 -18.370 1.915 0.291 1003 3HB ALA 130 HB3 ALA 130 -19.054 2.112 -1.323 1004 H GLY 131 HN GLY 131 -15.130 0.677 -1.747 1005 1HA GLY 131 HA2 GLY 131 -14.093 0.021 -3.862 1006 2HA GLY 131 HA1 GLY 131 -15.430 0.836 -4.674 1007 H ASN 132 HN ASN 132 -13.060 1.637 -2.073 1008 HA ASN 132 HA ASN 132 -11.716 3.658 -3.384 1009 1HB ASN 132 HB2 ASN 132 -13.700 4.847 -3.723 1010 2HB ASN 132 HB1 ASN 132 -14.210 4.594 -2.087 1011 1HD2 ASN 132 HD21 ASN 132 -10.984 5.462 -2.885 1012 2HD2 ASN 132 HD22 ASN 132 -11.045 7.082 -2.310 1013 H LEU 133 HN LEU 133 -12.522 5.239 -0.670 1014 HA LEU 133 HA LEU 133 -10.026 5.262 0.363 1015 1HB LEU 133 HB2 LEU 133 -11.259 6.121 2.431 1016 2HB LEU 133 HB1 LEU 133 -11.541 6.940 0.902 1017 HG LEU 133 HG LEU 133 -13.506 4.963 1.001 1018 1HD1 LEU 133 HD11 LEU 133 -13.430 4.468 3.236 1019 2HD1 LEU 133 HD12 LEU 133 -14.626 5.763 3.194 1020 3HD1 LEU 133 HD13 LEU 133 -12.971 6.106 3.699 1021 1HD2 LEU 133 HD21 LEU 133 -14.140 7.714 1.901 1022 2HD2 LEU 133 HD22 LEU 133 -14.923 6.706 0.685 1023 3HD2 LEU 133 HD23 LEU 133 -13.399 7.512 0.313 1024 H ALA 134 HN ALA 134 -9.030 3.337 0.780 1025 HA ALA 134 HA ALA 134 -9.187 2.330 3.393 1026 1HB ALA 134 HB1 ALA 134 -11.048 1.110 1.642 1027 2HB ALA 134 HB2 ALA 134 -10.671 0.682 3.310 1028 3HB ALA 134 HB3 ALA 134 -9.782 -0.068 1.985 1029 H GLY 135 HN GLY 135 -6.961 2.295 3.558 1030 1HA GLY 135 HA2 GLY 135 -5.516 0.292 2.025 1031 2HA GLY 135 HA1 GLY 135 -5.056 1.941 1.662 1032 H ILE 136 HN ILE 136 -2.911 1.360 2.431 1033 HA ILE 136 HA ILE 136 -2.688 1.510 5.374 1034 HB ILE 136 HB ILE 136 -0.350 0.268 4.548 1035 1HG1 ILE 136 HG12 ILE 136 -2.344 -1.628 3.532 1036 2HG1 ILE 136 HG11 ILE 136 -2.124 -0.218 2.503 1037 1HG2 ILE 136 HG21 ILE 136 -1.354 -1.721 5.732 1038 2HG2 ILE 136 HG22 ILE 136 -2.834 -0.773 5.876 1039 3HG2 ILE 136 HG23 ILE 136 -1.345 -0.203 6.631 1040 1HD1 ILE 136 HD11 ILE 136 0.095 -2.011 3.450 1041 2HD1 ILE 136 HD12 ILE 136 0.226 -0.674 2.306 1042 3HD1 ILE 136 HD13 ILE 136 -0.695 -2.115 1.877 1043 H SER 137 HN SER 137 -0.066 1.926 5.807 1044 HA SER 137 HA SER 137 1.143 3.655 3.862 1045 1HB SER 137 HB2 SER 137 -0.448 5.286 4.480 1046 2HB SER 137 HB1 SER 137 -0.285 4.909 6.194 1047 HG SER 137 HG SER 137 1.581 5.990 6.279 1048 H THR 138 HN THR 138 3.155 4.621 4.518 1049 HA THR 138 HA THR 138 4.284 4.017 7.091 1050 HB THR 138 HB THR 138 4.488 1.968 5.245 1051 HG1 THR 138 HG1 THR 138 5.676 1.059 6.849 1052 1HG2 THR 138 HG21 THR 138 6.109 3.264 3.917 1053 2HG2 THR 138 HG22 THR 138 6.840 1.825 4.629 1054 3HG2 THR 138 HG23 THR 138 7.142 3.410 5.339 1055 H LYS 139 HN LYS 139 6.583 4.775 7.257 1056 HA LYS 139 HA LYS 139 7.019 7.089 5.464 1057 1HB LYS 139 HB2 LYS 139 7.174 6.752 8.321 1058 2HB LYS 139 HB1 LYS 139 8.739 7.249 7.699 1059 1HG LYS 139 HG2 LYS 139 6.137 8.682 7.211 1060 2HG LYS 139 HG1 LYS 139 7.362 9.149 8.392 1061 1HD LYS 139 HD2 LYS 139 8.026 8.855 5.485 1062 2HD LYS 139 HD1 LYS 139 7.342 10.348 6.122 1063 1HE LYS 139 HE2 LYS 139 9.965 9.051 6.794 1064 2HE LYS 139 HE1 LYS 139 9.672 10.663 6.143 1065 1HZ LYS 139 HZ1 LYS 139 8.347 10.852 8.416 1066 2HZ LYS 139 HZ2 LYS 139 9.995 11.215 8.293 1067 3HZ LYS 139 HZ3 LYS 139 9.503 9.710 8.889 1068 H VAL 140 HN VAL 140 9.217 7.581 4.816 1069 HA VAL 140 HA VAL 140 11.214 5.482 5.091 1070 HB VAL 140 HB VAL 140 11.028 6.179 2.310 1071 1HG1 VAL 140 HG11 VAL 140 10.992 3.610 3.869 1072 2HG1 VAL 140 HG12 VAL 140 12.319 4.315 2.946 1073 3HG1 VAL 140 HG13 VAL 140 10.917 3.650 2.107 1074 1HG2 VAL 140 HG21 VAL 140 8.592 6.345 2.929 1075 2HG2 VAL 140 HG22 VAL 140 8.651 4.622 3.297 1076 3HG2 VAL 140 HG23 VAL 140 8.981 5.185 1.659 1077 H VAL 141 HN VAL 141 13.229 6.364 5.142 1078 HA VAL 141 HA VAL 141 13.547 9.183 4.627 1079 HB VAL 141 HB VAL 141 14.872 8.255 6.402 1080 1HG1 VAL 141 HG11 VAL 141 15.196 6.027 6.101 1081 2HG1 VAL 141 HG12 VAL 141 16.779 6.609 5.591 1082 3HG1 VAL 141 HG13 VAL 141 15.561 6.195 4.384 1083 1HG2 VAL 141 HG21 VAL 141 15.928 10.033 5.081 1084 2HG2 VAL 141 HG22 VAL 141 16.701 8.809 4.073 1085 3HG2 VAL 141 HG23 VAL 141 17.112 8.932 5.784 1086 H GLU 142 HN GLU 142 13.101 9.490 2.443 1087 HA GLU 142 HA GLU 142 15.281 8.851 0.655 1088 1HB GLU 142 HB2 GLU 142 12.617 7.566 0.456 1089 2HB GLU 142 HB1 GLU 142 13.326 8.143 -1.047 1090 1HG GLU 142 HG2 GLU 142 15.428 6.856 -0.269 1091 2HG GLU 142 HG1 GLU 142 14.313 6.026 0.815 1092 H THR 143 HN THR 143 15.072 9.958 -1.446 1093 HA THR 143 HA THR 143 13.290 12.310 -1.330 1094 HB THR 143 HB THR 143 14.962 13.786 -1.490 1095 HG1 THR 143 HG1 THR 143 15.949 13.839 -3.348 1096 1HG2 THR 143 HG21 THR 143 17.031 13.217 -0.538 1097 2HG2 THR 143 HG22 THR 143 16.976 11.577 -1.185 1098 3HG2 THR 143 HG23 THR 143 15.902 12.042 0.135 Start of MODEL 3 1 1H MET 1 HT1 MET 1 -15.303 -10.216 -18.861 2 2H MET 1 HT2 MET 1 -14.757 -11.103 -20.193 3 3H MET 1 HT3 MET 1 -13.795 -9.870 -19.548 4 HA MET 1 HA MET 1 -13.696 -12.545 -18.927 5 1HB MET 1 HB2 MET 1 -11.980 -10.627 -18.862 6 2HB MET 1 HB1 MET 1 -12.583 -10.309 -17.241 7 1HG MET 1 HG2 MET 1 -10.824 -11.665 -16.757 8 2HG MET 1 HG1 MET 1 -12.104 -12.867 -16.906 9 1HE MET 1 HE1 MET 1 -8.852 -12.087 -17.346 10 2HE MET 1 HE2 MET 1 -8.205 -12.782 -18.831 11 3HE MET 1 HE3 MET 1 -8.717 -13.837 -17.514 12 H HIS 2 HN HIS 2 -14.514 -9.927 -16.639 13 HA HIS 2 HA HIS 2 -16.137 -11.871 -15.138 14 1HB HIS 2 HB2 HIS 2 -13.790 -10.887 -14.207 15 2HB HIS 2 HB1 HIS 2 -14.902 -9.662 -13.605 16 HD1 HIS 2 HD1 HIS 2 -15.635 -13.365 -13.819 17 HD2 HIS 2 HD2 HIS 2 -14.973 -10.412 -10.973 18 HE1 HIS 2 HE1 HIS 2 -16.144 -14.441 -11.604 19 HE2 HIS 2 HE2 HIS 2 -15.845 -12.602 -9.909 20 H HIS 3 HN HIS 3 -16.719 -9.644 -13.198 21 HA HIS 3 HA HIS 3 -18.364 -8.121 -12.833 22 1HB HIS 3 HB2 HIS 3 -16.870 -7.168 -15.021 23 2HB HIS 3 HB1 HIS 3 -18.560 -6.922 -15.447 24 HD1 HIS 3 HD1 HIS 3 -15.910 -5.186 -13.926 25 HD2 HIS 3 HD2 HIS 3 -19.939 -5.642 -13.016 26 HE1 HIS 3 HE1 HIS 3 -16.483 -3.254 -12.422 27 HE2 HIS 3 HE2 HIS 3 -18.949 -3.496 -11.966 28 H HIS 4 HN HIS 4 -19.104 -10.727 -13.766 29 HA HIS 4 HA HIS 4 -21.453 -10.210 -15.439 30 1HB HIS 4 HB2 HIS 4 -19.959 -12.709 -14.683 31 2HB HIS 4 HB1 HIS 4 -21.586 -12.793 -15.348 32 HD1 HIS 4 HD1 HIS 4 -18.249 -13.046 -16.418 33 HD2 HIS 4 HD2 HIS 4 -21.605 -11.121 -17.931 34 HE1 HIS 4 HE1 HIS 4 -17.765 -12.669 -18.855 35 HE2 HIS 4 HE2 HIS 4 -19.783 -11.447 -19.738 36 H HIS 5 HN HIS 5 -20.543 -10.703 -12.197 37 HA HIS 5 HA HIS 5 -23.337 -10.715 -11.391 38 1HB HIS 5 HB2 HIS 5 -21.641 -13.054 -11.229 39 2HB HIS 5 HB1 HIS 5 -22.168 -12.550 -9.626 40 HD1 HIS 5 HD1 HIS 5 -23.569 -13.634 -12.961 41 HD2 HIS 5 HD2 HIS 5 -24.787 -13.121 -9.021 42 HE1 HIS 5 HE1 HIS 5 -25.872 -14.637 -12.833 43 HE2 HIS 5 HE2 HIS 5 -26.558 -14.381 -10.423 44 H HIS 6 HN HIS 6 -23.186 -10.944 -8.743 45 HA HIS 6 HA HIS 6 -21.139 -9.016 -7.871 46 1HB HIS 6 HB2 HIS 6 -23.496 -8.052 -8.246 47 2HB HIS 6 HB1 HIS 6 -23.961 -8.970 -6.818 48 HD1 HIS 6 HD1 HIS 6 -20.976 -8.267 -5.545 49 HD2 HIS 6 HD2 HIS 6 -24.000 -5.684 -6.749 50 HE1 HIS 6 HE1 HIS 6 -20.575 -6.128 -4.285 51 HE2 HIS 6 HE2 HIS 6 -22.466 -4.609 -4.966 52 H HIS 7 HN HIS 7 -19.908 -9.943 -6.381 53 HA HIS 7 HA HIS 7 -20.612 -12.315 -5.010 54 1HB HIS 7 HB2 HIS 7 -18.295 -10.609 -5.249 55 2HB HIS 7 HB1 HIS 7 -18.535 -11.084 -3.571 56 HD1 HIS 7 HD1 HIS 7 -17.109 -13.035 -3.084 57 HD2 HIS 7 HD2 HIS 7 -18.732 -13.234 -6.904 58 HE1 HIS 7 HE1 HIS 7 -16.317 -15.222 -4.038 59 HE2 HIS 7 HE2 HIS 7 -17.372 -15.354 -6.323 60 H GLY 8 HN GLY 8 -20.077 -9.019 -3.735 61 1HA GLY 8 HA2 GLY 8 -21.702 -7.999 -2.264 62 2HA GLY 8 HA1 GLY 8 -22.106 -9.605 -1.676 63 H SER 9 HN SER 9 -18.785 -9.261 -2.076 64 HA SER 9 HA SER 9 -18.392 -9.190 0.793 65 1HB SER 9 HB2 SER 9 -15.967 -9.162 -0.835 66 2HB SER 9 HB1 SER 9 -16.500 -10.338 0.367 67 HG SER 9 HG SER 9 -18.035 -10.980 -1.424 68 H THR 10 HN THR 10 -18.720 -7.141 1.540 69 HA THR 10 HA THR 10 -17.088 -5.001 0.339 70 HB THR 10 HB THR 10 -18.773 -3.539 0.566 71 HG1 THR 10 HG1 THR 10 -18.640 -3.319 2.777 72 1HG2 THR 10 HG21 THR 10 -20.310 -6.082 1.102 73 2HG2 THR 10 HG22 THR 10 -20.016 -5.322 -0.462 74 3HG2 THR 10 HG23 THR 10 -21.061 -4.533 0.720 75 H LYS 11 HN LYS 11 -15.700 -3.847 1.584 76 HA LYS 11 HA LYS 11 -15.601 -4.466 4.442 77 1HB LYS 11 HB2 LYS 11 -13.166 -4.529 4.340 78 2HB LYS 11 HB1 LYS 11 -13.841 -5.695 3.220 79 1HG LYS 11 HG2 LYS 11 -13.469 -4.098 1.380 80 2HG LYS 11 HG1 LYS 11 -12.702 -3.003 2.530 81 1HD LYS 11 HD2 LYS 11 -11.004 -4.248 1.343 82 2HD LYS 11 HD1 LYS 11 -11.040 -4.752 3.041 83 1HE LYS 11 HE2 LYS 11 -10.893 -6.549 1.168 84 2HE LYS 11 HE1 LYS 11 -11.954 -6.813 2.551 85 1HZ LYS 11 HZ1 LYS 11 -12.935 -5.603 0.035 86 2HZ LYS 11 HZ2 LYS 11 -13.837 -6.300 1.284 87 3HZ LYS 11 HZ3 LYS 11 -12.904 -7.278 0.267 88 H THR 12 HN THR 12 -13.452 -2.753 4.992 89 HA THR 12 HA THR 12 -13.783 -0.107 4.044 90 HB THR 12 HB THR 12 -14.467 -0.024 6.892 91 HG1 THR 12 HG1 THR 12 -16.774 -0.579 5.490 92 1HG2 THR 12 HG21 THR 12 -14.459 1.832 5.123 93 2HG2 THR 12 HG22 THR 12 -15.824 1.785 6.240 94 3HG2 THR 12 HG23 THR 12 -16.007 1.173 4.595 95 H ASN 13 HN ASN 13 -12.889 1.280 6.264 96 HA ASN 13 HA ASN 13 -10.191 0.385 6.503 97 1HB ASN 13 HB2 ASN 13 -11.228 2.798 6.862 98 2HB ASN 13 HB1 ASN 13 -11.465 2.236 8.512 99 1HD2 ASN 13 HD21 ASN 13 -9.268 0.916 9.197 100 2HD2 ASN 13 HD22 ASN 13 -7.873 1.918 9.045 101 H SER 14 HN SER 14 -13.131 -0.466 7.878 102 HA SER 14 HA SER 14 -12.447 -1.269 10.475 103 1HB SER 14 HB2 SER 14 -14.757 -1.143 9.375 104 2HB SER 14 HB1 SER 14 -14.375 -2.704 8.650 105 HG SER 14 HG SER 14 -15.076 -2.085 11.236 106 H GLU 15 HN GLU 15 -12.625 -3.089 7.448 107 HA GLU 15 HA GLU 15 -11.301 -5.399 8.505 108 1HB GLU 15 HB2 GLU 15 -12.875 -4.875 6.286 109 2HB GLU 15 HB1 GLU 15 -11.277 -5.074 5.586 110 1HG GLU 15 HG2 GLU 15 -11.271 -7.207 7.152 111 2HG GLU 15 HG1 GLU 15 -13.016 -7.038 6.959 112 H ILE 16 HN ILE 16 -10.514 -2.724 6.394 113 HA ILE 16 HA ILE 16 -7.938 -3.324 5.637 114 HB ILE 16 HB ILE 16 -9.156 -0.633 6.237 115 1HG1 ILE 16 HG12 ILE 16 -10.416 -1.108 4.436 116 2HG1 ILE 16 HG11 ILE 16 -8.942 -0.938 3.495 117 1HG2 ILE 16 HG21 ILE 16 -6.558 -0.905 6.037 118 2HG2 ILE 16 HG22 ILE 16 -7.383 0.412 5.206 119 3HG2 ILE 16 HG23 ILE 16 -6.907 -1.032 4.313 120 1HD1 ILE 16 HD11 ILE 16 -8.570 -3.373 3.749 121 2HD1 ILE 16 HD12 ILE 16 -10.035 -2.953 2.861 122 3HD1 ILE 16 HD13 ILE 16 -10.142 -3.484 4.539 123 H LEU 17 HN LEU 17 -9.072 -1.839 8.591 124 HA LEU 17 HA LEU 17 -6.424 -1.360 9.604 125 1HB LEU 17 HB2 LEU 17 -7.462 -0.112 11.178 126 2HB LEU 17 HB1 LEU 17 -8.851 -0.252 10.112 127 HG LEU 17 HG LEU 17 -9.247 -2.447 11.600 128 1HD1 LEU 17 HD11 LEU 17 -8.501 -2.332 13.763 129 2HD1 LEU 17 HD12 LEU 17 -8.277 -0.583 13.709 130 3HD1 LEU 17 HD13 LEU 17 -7.117 -1.646 12.913 131 1HD2 LEU 17 HD21 LEU 17 -10.592 -0.223 11.174 132 2HD2 LEU 17 HD22 LEU 17 -10.079 0.134 12.823 133 3HD2 LEU 17 HD23 LEU 17 -11.026 -1.317 12.489 134 H GLU 18 HN GLU 18 -8.727 -3.888 9.574 135 HA GLU 18 HA GLU 18 -7.794 -5.261 11.888 136 1HB GLU 18 HB2 GLU 18 -9.995 -5.712 11.350 137 2HB GLU 18 HB1 GLU 18 -9.660 -5.844 9.633 138 1HG GLU 18 HG2 GLU 18 -9.913 -8.041 10.039 139 2HG GLU 18 HG1 GLU 18 -8.220 -7.919 10.517 140 H GLN 19 HN GLN 19 -7.622 -6.184 8.428 141 HA GLN 19 HA GLN 19 -5.767 -8.249 8.916 142 1HB GLN 19 HB2 GLN 19 -5.521 -7.611 6.228 143 2HB GLN 19 HB1 GLN 19 -6.549 -8.853 6.922 144 1HG GLN 19 HG2 GLN 19 -8.034 -7.649 5.650 145 2HG GLN 19 HG1 GLN 19 -8.246 -6.924 7.246 146 1HE2 GLN 19 HE21 GLN 19 -8.994 -5.544 4.987 147 2HE2 GLN 19 HE22 GLN 19 -7.902 -4.238 4.739 148 H LEU 20 HN LEU 20 -5.298 -4.924 7.761 149 HA LEU 20 HA LEU 20 -2.499 -5.435 7.291 150 1HB LEU 20 HB2 LEU 20 -4.157 -2.946 7.055 151 2HB LEU 20 HB1 LEU 20 -2.435 -2.979 6.739 152 HG LEU 20 HG LEU 20 -4.143 -4.921 5.273 153 1HD1 LEU 20 HD11 LEU 20 -3.896 -2.421 3.842 154 2HD1 LEU 20 HD12 LEU 20 -4.818 -2.213 5.331 155 3HD1 LEU 20 HD13 LEU 20 -5.327 -3.408 4.138 156 1HD2 LEU 20 HD21 LEU 20 -2.195 -5.215 4.259 157 2HD2 LEU 20 HD22 LEU 20 -1.479 -3.873 5.152 158 3HD2 LEU 20 HD23 LEU 20 -2.316 -3.572 3.628 159 H LYS 21 HN LYS 21 -4.313 -3.375 9.624 160 HA LYS 21 HA LYS 21 -1.934 -2.395 10.801 161 1HB LYS 21 HB2 LYS 21 -4.798 -2.423 11.631 162 2HB LYS 21 HB1 LYS 21 -3.574 -1.970 12.799 163 1HG LYS 21 HG2 LYS 21 -3.397 -0.609 10.180 164 2HG LYS 21 HG1 LYS 21 -4.820 -0.238 11.156 165 1HD LYS 21 HD2 LYS 21 -2.990 1.328 11.605 166 2HD LYS 21 HD1 LYS 21 -3.408 0.385 13.037 167 1HE LYS 21 HE2 LYS 21 -1.421 -0.708 13.062 168 2HE LYS 21 HE1 LYS 21 -1.285 -0.722 11.304 169 1HZ LYS 21 HZ1 LYS 21 0.073 0.914 13.029 170 2HZ LYS 21 HZ2 LYS 21 -1.108 1.921 12.357 171 3HZ LYS 21 HZ3 LYS 21 -0.031 1.093 11.349 172 H GLN 22 HN GLN 22 -3.772 -5.302 11.279 173 HA GLN 22 HA GLN 22 -2.423 -5.959 13.753 174 1HB GLN 22 HB2 GLN 22 -4.547 -7.217 12.094 175 2HB GLN 22 HB1 GLN 22 -3.615 -8.258 13.157 176 1HG GLN 22 HG2 GLN 22 -4.191 -6.337 14.875 177 2HG GLN 22 HG1 GLN 22 -5.574 -6.150 13.804 178 1HE2 GLN 22 HE21 GLN 22 -6.326 -8.549 13.103 179 2HE2 GLN 22 HE22 GLN 22 -6.698 -9.551 14.460 180 H ALA 23 HN ALA 23 -2.607 -7.424 10.527 181 HA ALA 23 HA ALA 23 -0.332 -9.105 11.100 182 1HB ALA 23 HB1 ALA 23 -0.986 -9.480 8.453 183 2HB ALA 23 HB2 ALA 23 -2.520 -9.059 9.219 184 3HB ALA 23 HB3 ALA 23 -1.574 -10.416 9.828 185 H SER 24 HN SER 24 -1.054 -6.825 8.404 186 HA SER 24 HA SER 24 1.470 -6.791 7.271 187 1HB SER 24 HB2 SER 24 -0.668 -4.691 7.433 188 2HB SER 24 HB1 SER 24 0.868 -4.349 6.642 189 HG SER 24 HG SER 24 0.086 -6.677 5.738 190 H ASP 25 HN ASP 25 0.476 -5.380 10.280 191 HA ASP 25 HA ASP 25 2.520 -3.441 10.511 192 1HB ASP 25 HB2 ASP 25 0.318 -3.806 11.904 193 2HB ASP 25 HB1 ASP 25 1.377 -4.770 12.930 194 H GLY 26 HN GLY 26 2.885 -6.623 10.210 195 1HA GLY 26 HA2 GLY 26 4.873 -7.086 12.255 196 2HA GLY 26 HA1 GLY 26 4.421 -8.196 10.969 197 H LEU 27 HN LEU 27 4.854 -6.514 8.754 198 HA LEU 27 HA LEU 27 7.696 -6.744 8.517 199 1HB LEU 27 HB2 LEU 27 5.492 -5.828 6.684 200 2HB LEU 27 HB1 LEU 27 7.176 -5.788 6.216 201 HG LEU 27 HG LEU 27 5.918 -7.757 5.372 202 1HD1 LEU 27 HD11 LEU 27 7.882 -8.782 5.267 203 2HD1 LEU 27 HD12 LEU 27 7.830 -9.164 6.989 204 3HD1 LEU 27 HD13 LEU 27 8.489 -7.620 6.447 205 1HD2 LEU 27 HD21 LEU 27 5.471 -9.606 6.949 206 2HD2 LEU 27 HD22 LEU 27 4.452 -8.193 7.224 207 3HD2 LEU 27 HD23 LEU 27 5.826 -8.511 8.284 208 H LEU 28 HN LEU 28 8.499 -5.203 10.003 209 HA LEU 28 HA LEU 28 7.734 -2.443 9.813 210 1HB LEU 28 HB2 LEU 28 9.269 -4.078 11.603 211 2HB LEU 28 HB1 LEU 28 10.199 -2.647 11.178 212 HG LEU 28 HG LEU 28 8.981 -2.207 13.195 213 1HD1 LEU 28 HD11 LEU 28 7.856 -0.854 10.763 214 2HD1 LEU 28 HD12 LEU 28 9.122 -0.286 11.851 215 3HD1 LEU 28 HD13 LEU 28 7.448 -0.353 12.403 216 1HD2 LEU 28 HD21 LEU 28 6.290 -2.413 12.056 217 2HD2 LEU 28 HD22 LEU 28 6.894 -2.892 13.642 218 3HD2 LEU 28 HD23 LEU 28 7.118 -3.958 12.256 219 H PHE 29 HN PHE 29 8.245 -1.441 7.939 220 HA PHE 29 HA PHE 29 10.755 -1.909 6.608 221 1HB PHE 29 HB2 PHE 29 8.290 -0.388 6.047 222 2HB PHE 29 HB1 PHE 29 9.769 0.375 5.473 223 HD1 PHE 29 HD1 PHE 29 11.354 -2.025 4.756 224 HD2 PHE 29 HD2 PHE 29 7.256 -1.100 4.066 225 HE1 PHE 29 HE1 PHE 29 11.356 -3.494 2.782 226 HE2 PHE 29 HE2 PHE 29 7.254 -2.570 2.088 227 HZ PHE 29 HZ PHE 29 9.264 -3.762 1.445 228 H MET 30 HN MET 30 12.373 -1.333 7.892 229 HA MET 30 HA MET 30 12.311 1.226 9.269 230 1HB MET 30 HB2 MET 30 14.246 -1.074 9.368 231 2HB MET 30 HB1 MET 30 14.293 0.332 10.424 232 1HG MET 30 HG2 MET 30 12.120 -0.263 11.321 233 2HG MET 30 HG1 MET 30 12.041 -1.647 10.235 234 1HE MET 30 HE1 MET 30 14.502 -0.610 13.703 235 2HE MET 30 HE2 MET 30 14.725 0.053 12.084 236 3HE MET 30 HE3 MET 30 15.739 -1.279 12.639 237 H SER 31 HN SER 31 12.717 2.794 7.842 238 HA SER 31 HA SER 31 15.273 2.702 6.377 239 1HB SER 31 HB2 SER 31 12.986 2.908 5.134 240 2HB SER 31 HB1 SER 31 13.034 4.580 5.686 241 HG SER 31 HG SER 31 15.413 4.012 4.685 242 H GLU 32 HN GLU 32 13.353 5.618 6.819 243 HA GLU 32 HA GLU 32 15.517 7.019 8.009 244 1HB GLU 32 HB2 GLU 32 14.056 8.867 8.185 245 2HB GLU 32 HB1 GLU 32 13.513 8.018 6.744 246 1HG GLU 32 HG2 GLU 32 11.483 7.921 7.586 247 2HG GLU 32 HG1 GLU 32 12.084 6.940 8.919 248 H SER 33 HN SER 33 13.005 5.003 9.060 249 HA SER 33 HA SER 33 14.011 4.546 11.623 250 1HB SER 33 HB2 SER 33 13.316 6.560 12.508 251 2HB SER 33 HB1 SER 33 11.981 6.715 11.365 252 HG SER 33 HG SER 33 11.261 6.255 13.500 253 H GLU 34 HN GLU 34 12.394 3.244 12.941 254 HA GLU 34 HA GLU 34 11.219 1.270 11.286 255 1HB GLU 34 HB2 GLU 34 11.651 0.163 13.193 256 2HB GLU 34 HB1 GLU 34 11.797 1.658 14.097 257 1HG GLU 34 HG2 GLU 34 9.032 1.007 13.537 258 2HG GLU 34 HG1 GLU 34 9.860 -0.288 14.400 259 H TYR 35 HN TYR 35 9.309 1.387 10.266 260 HA TYR 35 HA TYR 35 7.051 2.650 11.619 261 1HB TYR 35 HB2 TYR 35 8.082 3.444 8.898 262 2HB TYR 35 HB1 TYR 35 6.452 3.811 9.447 263 HD1 TYR 35 HD1 TYR 35 9.727 5.010 9.212 264 HD2 TYR 35 HD2 TYR 35 6.342 5.061 11.784 265 HE1 TYR 35 HE1 TYR 35 10.561 7.074 10.248 266 HE2 TYR 35 HE2 TYR 35 7.165 7.127 12.836 267 HH TYR 35 HH TYR 35 8.961 8.499 13.048 268 HA PRO 36 HA PRO 36 5.299 -1.031 9.646 269 1HB PRO 36 HB2 PRO 36 3.190 -0.889 11.596 270 2HB PRO 36 HB1 PRO 36 4.553 -2.010 11.555 271 1HG PRO 36 HG2 PRO 36 4.217 -0.095 13.488 272 2HG PRO 36 HG1 PRO 36 5.794 -0.762 13.010 273 1HD PRO 36 HD2 PRO 36 4.479 1.803 12.135 274 2HD PRO 36 HD1 PRO 36 6.163 1.518 12.639 275 H PHE 37 HN PHE 37 3.462 -1.462 8.471 276 HA PHE 37 HA PHE 37 2.360 0.691 7.111 277 1HB PHE 37 HB2 PHE 37 1.115 -2.046 7.216 278 2HB PHE 37 HB1 PHE 37 1.120 -0.899 5.879 279 HD1 PHE 37 HD1 PHE 37 3.959 -0.066 5.984 280 HD2 PHE 37 HD2 PHE 37 2.180 -3.915 6.230 281 HE1 PHE 37 HE1 PHE 37 6.015 -1.054 5.128 282 HE2 PHE 37 HE2 PHE 37 4.249 -4.926 5.363 283 HZ PHE 37 HZ PHE 37 6.180 -3.496 4.812 284 H GLU 38 HN GLU 38 1.034 2.105 7.732 285 HA GLU 38 HA GLU 38 -1.079 1.507 9.695 286 1HB GLU 38 HB2 GLU 38 0.726 3.532 9.733 287 2HB GLU 38 HB1 GLU 38 -0.577 4.300 8.839 288 1HG GLU 38 HG2 GLU 38 -2.082 3.484 10.759 289 2HG GLU 38 HG1 GLU 38 -0.572 3.265 11.643 290 H VAL 39 HN VAL 39 -3.002 1.116 8.883 291 HA VAL 39 HA VAL 39 -3.580 1.755 6.153 292 HB VAL 39 HB VAL 39 -5.321 0.332 6.252 293 1HG1 VAL 39 HG11 VAL 39 -4.882 -1.320 8.282 294 2HG1 VAL 39 HG12 VAL 39 -3.417 -0.351 8.438 295 3HG1 VAL 39 HG13 VAL 39 -3.760 -1.193 6.927 296 1HG2 VAL 39 HG21 VAL 39 -6.836 0.024 8.105 297 2HG2 VAL 39 HG22 VAL 39 -6.620 1.752 7.821 298 3HG2 VAL 39 HG23 VAL 39 -5.794 0.969 9.169 299 H PHE 40 HN PHE 40 -5.275 3.032 5.364 300 HA PHE 40 HA PHE 40 -6.777 4.643 7.163 301 1HB PHE 40 HB2 PHE 40 -5.936 6.844 6.225 302 2HB PHE 40 HB1 PHE 40 -4.894 6.020 7.370 303 HD1 PHE 40 HD1 PHE 40 -4.835 4.386 4.258 304 HD2 PHE 40 HD2 PHE 40 -3.246 7.766 6.297 305 HE1 PHE 40 HE1 PHE 40 -2.986 4.492 2.642 306 HE2 PHE 40 HE2 PHE 40 -1.397 7.875 4.683 307 HZ PHE 40 HZ PHE 40 -1.233 6.363 2.902 308 H LEU 41 HN LEU 41 -8.569 5.526 6.284 309 HA LEU 41 HA LEU 41 -9.339 4.608 3.681 310 1HB LEU 41 HB2 LEU 41 -11.432 4.864 4.441 311 2HB LEU 41 HB1 LEU 41 -10.692 5.172 5.999 312 HG LEU 41 HG LEU 41 -11.108 7.481 4.159 313 1HD1 LEU 41 HD11 LEU 41 -13.222 5.797 4.696 314 2HD1 LEU 41 HD12 LEU 41 -13.326 7.492 4.216 315 3HD1 LEU 41 HD13 LEU 41 -13.363 7.053 5.925 316 1HD2 LEU 41 HD21 LEU 41 -10.997 6.999 7.114 317 2HD2 LEU 41 HD22 LEU 41 -11.691 8.482 6.457 318 3HD2 LEU 41 HD23 LEU 41 -10.008 8.074 6.126 319 H TRP 42 HN TRP 42 -9.649 5.779 1.827 320 HA TRP 42 HA TRP 42 -9.065 8.658 1.926 321 1HB TRP 42 HB2 TRP 42 -7.596 6.563 0.411 322 2HB TRP 42 HB1 TRP 42 -7.819 8.134 -0.348 323 HD1 TRP 42 HD1 TRP 42 -6.528 6.779 3.043 324 HE1 TRP 42 HE1 TRP 42 -4.516 8.221 3.756 325 HE3 TRP 42 HE3 TRP 42 -6.540 10.131 -0.805 326 HZ2 TRP 42 HZ2 TRP 42 -3.126 10.491 2.808 327 HZ3 TRP 42 HZ3 TRP 42 -4.840 11.909 -0.830 328 HH2 TRP 42 HH2 TRP 42 -3.170 12.084 0.941 329 H GLU 43 HN GLU 43 -10.523 9.799 0.890 330 HA GLU 43 HA GLU 43 -12.520 8.537 -0.747 331 1HB GLU 43 HB2 GLU 43 -12.558 10.706 0.873 332 2HB GLU 43 HB1 GLU 43 -12.337 11.493 -0.685 333 1HG GLU 43 HG2 GLU 43 -14.338 10.404 -1.534 334 2HG GLU 43 HG1 GLU 43 -14.546 9.566 0.002 335 H GLY 44 HN GLY 44 -9.504 10.090 -1.204 336 1HA GLY 44 HA2 GLY 44 -9.969 10.731 -4.010 337 2HA GLY 44 HA1 GLY 44 -8.479 10.993 -3.111 338 H SER 45 HN SER 45 -9.122 8.063 -2.185 339 HA SER 45 HA SER 45 -7.204 6.746 -3.746 340 1HB SER 45 HB2 SER 45 -7.831 6.010 -1.489 341 2HB SER 45 HB1 SER 45 -9.426 5.547 -2.077 342 HG SER 45 HG SER 45 -7.637 3.891 -1.918 343 H ALA 46 HN ALA 46 -8.022 4.440 -4.718 344 HA ALA 46 HA ALA 46 -9.298 3.301 -6.271 345 1HB ALA 46 HB1 ALA 46 -11.074 5.207 -7.348 346 2HB ALA 46 HB2 ALA 46 -11.076 5.435 -5.601 347 3HB ALA 46 HB3 ALA 46 -11.444 3.853 -6.282 348 HA PRO 47 HA PRO 47 -7.193 4.638 -9.941 349 1HB PRO 47 HB2 PRO 47 -8.825 3.865 -11.980 350 2HB PRO 47 HB1 PRO 47 -7.851 2.732 -11.038 351 1HG PRO 47 HG2 PRO 47 -10.754 3.408 -10.774 352 2HG PRO 47 HG1 PRO 47 -9.962 1.823 -10.697 353 1HD PRO 47 HD2 PRO 47 -10.729 3.165 -8.480 354 2HD PRO 47 HD1 PRO 47 -9.293 2.122 -8.509 355 HA PRO 48 HA PRO 48 -9.443 8.495 -10.811 356 1HB PRO 48 HB2 PRO 48 -7.494 10.187 -10.251 357 2HB PRO 48 HB1 PRO 48 -8.264 9.274 -8.947 358 1HG PRO 48 HG2 PRO 48 -5.612 8.858 -10.242 359 2HG PRO 48 HG1 PRO 48 -6.090 8.616 -8.556 360 1HD PRO 48 HD2 PRO 48 -5.918 6.638 -10.580 361 2HD PRO 48 HD1 PRO 48 -6.593 6.444 -8.951 362 H VAL 49 HN VAL 49 -6.925 10.298 -11.642 363 HA VAL 49 HA VAL 49 -7.266 9.805 -14.479 364 HB VAL 49 HB VAL 49 -5.877 11.973 -12.910 365 1HG1 VAL 49 HG11 VAL 49 -5.816 12.954 -15.397 366 2HG1 VAL 49 HG12 VAL 49 -5.602 11.241 -15.756 367 3HG1 VAL 49 HG13 VAL 49 -4.474 12.062 -14.678 368 1HG2 VAL 49 HG21 VAL 49 -8.370 11.810 -14.565 369 2HG2 VAL 49 HG22 VAL 49 -7.577 13.355 -14.253 370 3HG2 VAL 49 HG23 VAL 49 -8.170 12.381 -12.908 371 H THR 50 HN THR 50 -4.867 9.629 -11.975 372 HA THR 50 HA THR 50 -3.309 7.673 -13.345 373 HB THR 50 HB THR 50 -1.685 10.105 -12.716 374 HG1 THR 50 HG1 THR 50 -3.055 11.051 -14.145 375 1HG2 THR 50 HG21 THR 50 -0.563 9.048 -14.885 376 2HG2 THR 50 HG22 THR 50 -1.424 7.617 -14.317 377 3HG2 THR 50 HG23 THR 50 -0.254 8.415 -13.267 378 H HIS 51 HN HIS 51 -1.747 6.711 -11.904 379 HA HIS 51 HA HIS 51 -2.505 6.839 -9.183 380 1HB HIS 51 HB2 HIS 51 0.164 5.785 -10.092 381 2HB HIS 51 HB1 HIS 51 -0.854 5.209 -8.778 382 HD1 HIS 51 HD1 HIS 51 0.325 3.745 -11.524 383 HD2 HIS 51 HD2 HIS 51 -3.596 4.652 -10.493 384 HE1 HIS 51 HE1 HIS 51 -1.105 2.169 -12.863 385 HE2 HIS 51 HE2 HIS 51 -3.474 2.831 -12.323 386 H GLU 52 HN GLU 52 -2.386 9.089 -8.778 387 HA GLU 52 HA GLU 52 -0.089 9.974 -7.419 388 1HB GLU 52 HB2 GLU 52 -0.409 10.849 -10.261 389 2HB GLU 52 HB1 GLU 52 0.125 12.041 -9.086 390 1HG GLU 52 HG2 GLU 52 1.846 10.166 -8.461 391 2HG GLU 52 HG1 GLU 52 1.500 9.624 -10.103 392 H ILE 53 HN ILE 53 -3.188 10.345 -8.750 393 HA ILE 53 HA ILE 53 -3.910 12.930 -8.158 394 HB ILE 53 HB ILE 53 -5.348 10.411 -8.503 395 1HG1 ILE 53 HG12 ILE 53 -5.210 11.868 -10.364 396 2HG1 ILE 53 HG11 ILE 53 -6.877 11.937 -9.804 397 1HG2 ILE 53 HG21 ILE 53 -6.697 12.630 -6.984 398 2HG2 ILE 53 HG22 ILE 53 -6.309 11.027 -6.361 399 3HG2 ILE 53 HG23 ILE 53 -7.495 11.206 -7.653 400 1HD1 ILE 53 HD11 ILE 53 -5.996 14.009 -8.463 401 2HD1 ILE 53 HD12 ILE 53 -6.464 14.144 -10.158 402 3HD1 ILE 53 HD13 ILE 53 -4.760 14.011 -9.722 403 H VAL 54 HN VAL 54 -4.037 10.142 -5.960 404 HA VAL 54 HA VAL 54 -5.224 11.241 -3.776 405 HB VAL 54 HB VAL 54 -3.324 9.122 -4.323 406 1HG1 VAL 54 HG11 VAL 54 -3.181 10.548 -1.713 407 2HG1 VAL 54 HG12 VAL 54 -1.882 9.943 -2.738 408 3HG1 VAL 54 HG13 VAL 54 -2.872 8.814 -1.814 409 1HG2 VAL 54 HG21 VAL 54 -5.879 9.534 -2.943 410 2HG2 VAL 54 HG22 VAL 54 -4.869 8.234 -2.306 411 3HG2 VAL 54 HG23 VAL 54 -5.350 8.230 -4.004 412 H LEU 55 HN LEU 55 -2.140 11.926 -5.135 413 HA LEU 55 HA LEU 55 -0.963 13.180 -2.882 414 1HB LEU 55 HB2 LEU 55 -0.278 13.523 -5.801 415 2HB LEU 55 HB1 LEU 55 0.757 13.880 -4.445 416 HG LEU 55 HG LEU 55 -0.092 11.188 -5.467 417 1HD1 LEU 55 HD11 LEU 55 2.159 10.781 -5.828 418 2HD1 LEU 55 HD12 LEU 55 2.674 12.048 -4.716 419 3HD1 LEU 55 HD13 LEU 55 1.987 12.474 -6.285 420 1HD2 LEU 55 HD21 LEU 55 -0.177 10.415 -3.390 421 2HD2 LEU 55 HD22 LEU 55 0.365 11.957 -2.726 422 3HD2 LEU 55 HD23 LEU 55 1.547 10.763 -3.263 423 H GLN 56 HN GLN 56 -2.340 14.510 -5.888 424 HA GLN 56 HA GLN 56 -2.052 17.206 -5.373 425 1HB GLN 56 HB2 GLN 56 -4.699 16.717 -6.433 426 2HB GLN 56 HB1 GLN 56 -3.317 17.473 -7.193 427 1HG GLN 56 HG2 GLN 56 -3.785 14.511 -7.033 428 2HG GLN 56 HG1 GLN 56 -4.161 15.528 -8.422 429 1HE2 GLN 56 HE21 GLN 56 -2.562 13.415 -8.768 430 2HE2 GLN 56 HE22 GLN 56 -0.938 13.924 -9.028 431 H GLN 57 HN GLN 57 -4.149 14.927 -3.943 432 HA GLN 57 HA GLN 57 -5.953 16.821 -2.775 433 1HB GLN 57 HB2 GLN 57 -5.721 14.146 -1.558 434 2HB GLN 57 HB1 GLN 57 -7.145 15.024 -2.085 435 1HG GLN 57 HG2 GLN 57 -5.566 14.246 -4.353 436 2HG GLN 57 HG1 GLN 57 -5.912 12.855 -3.335 437 1HE2 GLN 57 HE21 GLN 57 -7.285 11.939 -4.827 438 2HE2 GLN 57 HE22 GLN 57 -8.855 12.579 -5.163 439 H THR 58 HN THR 58 -3.112 15.011 -1.678 440 HA THR 58 HA THR 58 -3.187 16.622 0.784 441 HB THR 58 HB THR 58 -2.150 13.806 0.496 442 HG1 THR 58 HG1 THR 58 -4.266 14.678 2.163 443 1HG2 THR 58 HG21 THR 58 -2.427 15.390 3.041 444 2HG2 THR 58 HG22 THR 58 -0.928 15.358 2.113 445 3HG2 THR 58 HG23 THR 58 -1.580 13.863 2.785 446 H GLY 59 HN GLY 59 -0.727 14.596 -0.844 447 1HA GLY 59 HA2 GLY 59 1.303 16.506 -0.019 448 2HA GLY 59 HA1 GLY 59 1.587 14.930 -0.724 449 H HIS 60 HN HIS 60 0.237 15.105 -3.109 450 HA HIS 60 HA HIS 60 0.349 15.931 -5.239 451 1HB HIS 60 HB2 HIS 60 -0.161 18.157 -4.083 452 2HB HIS 60 HB1 HIS 60 1.572 18.461 -4.127 453 HD1 HIS 60 HD1 HIS 60 2.640 18.567 -6.595 454 HD2 HIS 60 HD2 HIS 60 -1.501 18.803 -6.366 455 HE1 HIS 60 HE1 HIS 60 1.897 19.504 -8.807 456 HE2 HIS 60 HE2 HIS 60 -0.600 19.753 -8.595 457 H GLY 61 HN GLY 61 2.070 14.160 -4.909 458 1HA GLY 61 HA2 GLY 61 4.759 14.627 -4.620 459 2HA GLY 61 HA1 GLY 61 4.086 13.338 -5.600 460 H GLN 62 HN GLN 62 2.887 14.938 -7.614 461 HA GLN 62 HA GLN 62 4.858 15.148 -9.486 462 1HB GLN 62 HB2 GLN 62 3.133 17.221 -10.199 463 2HB GLN 62 HB1 GLN 62 3.030 15.542 -10.704 464 1HG GLN 62 HG2 GLN 62 1.799 16.396 -8.124 465 2HG GLN 62 HG1 GLN 62 0.976 16.721 -9.648 466 1HE2 GLN 62 HE21 GLN 62 0.967 14.689 -7.183 467 2HE2 GLN 62 HE22 GLN 62 0.489 13.223 -7.961 468 H ASP 63 HN ASP 63 4.389 17.239 -6.841 469 HA ASP 63 HA ASP 63 6.079 19.323 -8.035 470 1HB ASP 63 HB2 ASP 63 3.744 19.605 -6.698 471 2HB ASP 63 HB1 ASP 63 4.884 19.747 -5.363 472 H ALA 64 HN ALA 64 5.877 16.992 -5.440 473 HA ALA 64 HA ALA 64 8.427 17.883 -4.289 474 1HB ALA 64 HB1 ALA 64 6.022 16.656 -3.288 475 2HB ALA 64 HB2 ALA 64 7.355 17.393 -2.398 476 3HB ALA 64 HB3 ALA 64 7.432 15.690 -2.853 477 HA PRO 65 HA PRO 65 10.777 14.314 -5.723 478 1HB PRO 65 HB2 PRO 65 11.736 13.019 -3.569 479 2HB PRO 65 HB1 PRO 65 12.304 14.646 -3.990 480 1HG PRO 65 HG2 PRO 65 10.238 13.819 -2.000 481 2HG PRO 65 HG1 PRO 65 11.575 14.957 -1.808 482 1HD PRO 65 HD2 PRO 65 9.068 15.793 -2.290 483 2HD PRO 65 HD1 PRO 65 10.480 16.643 -2.949 484 H PHE 66 HN PHE 66 8.218 13.793 -5.923 485 HA PHE 66 HA PHE 66 7.095 11.689 -4.532 486 1HB PHE 66 HB2 PHE 66 5.351 11.831 -6.008 487 2HB PHE 66 HB1 PHE 66 6.105 13.406 -6.230 488 HD1 PHE 66 HD1 PHE 66 7.769 13.651 -8.161 489 HD2 PHE 66 HD2 PHE 66 5.011 10.427 -7.824 490 HE1 PHE 66 HE1 PHE 66 8.006 13.201 -10.569 491 HE2 PHE 66 HE2 PHE 66 5.243 9.971 -10.230 492 HZ PHE 66 HZ PHE 66 6.742 11.358 -11.606 493 H LYS 67 HN LYS 67 6.327 9.721 -5.442 494 HA LYS 67 HA LYS 67 7.459 8.278 -7.520 495 1HB LYS 67 HB2 LYS 67 9.031 8.249 -5.046 496 2HB LYS 67 HB1 LYS 67 8.528 6.639 -5.548 497 1HG LYS 67 HG2 LYS 67 10.036 8.614 -7.257 498 2HG LYS 67 HG1 LYS 67 10.735 7.228 -6.417 499 1HD LYS 67 HD2 LYS 67 8.481 6.405 -8.002 500 2HD LYS 67 HD1 LYS 67 9.641 7.286 -8.998 501 1HE LYS 67 HE2 LYS 67 10.811 5.396 -9.124 502 2HE LYS 67 HE1 LYS 67 11.204 5.619 -7.420 503 1HZ LYS 67 HZ1 LYS 67 9.184 4.351 -6.872 504 2HZ LYS 67 HZ2 LYS 67 10.301 3.440 -7.755 505 3HZ LYS 67 HZ3 LYS 67 8.927 4.063 -8.519 506 H VAL 68 HN VAL 68 5.353 7.640 -7.799 507 HA VAL 68 HA VAL 68 3.915 6.468 -5.564 508 HB VAL 68 HB VAL 68 3.088 6.965 -8.430 509 1HG1 VAL 68 HG11 VAL 68 0.848 6.609 -6.737 510 2HG1 VAL 68 HG12 VAL 68 1.925 5.233 -6.492 511 3HG1 VAL 68 HG13 VAL 68 1.347 5.624 -8.112 512 1HG2 VAL 68 HG21 VAL 68 1.542 8.614 -7.195 513 2HG2 VAL 68 HG22 VAL 68 3.239 9.047 -7.404 514 3HG2 VAL 68 HG23 VAL 68 2.670 8.433 -5.851 515 H VAL 69 HN VAL 69 4.079 4.353 -5.094 516 HA VAL 69 HA VAL 69 4.668 2.523 -7.335 517 HB VAL 69 HB VAL 69 5.266 1.143 -4.973 518 1HG1 VAL 69 HG11 VAL 69 6.351 1.327 -7.349 519 2HG1 VAL 69 HG12 VAL 69 7.317 0.837 -5.957 520 3HG1 VAL 69 HG13 VAL 69 7.400 2.497 -6.548 521 1HG2 VAL 69 HG21 VAL 69 7.175 3.170 -4.553 522 2HG2 VAL 69 HG22 VAL 69 5.944 2.594 -3.431 523 3HG2 VAL 69 HG23 VAL 69 5.595 3.945 -4.507 524 H ASP 70 HN ASP 70 3.999 0.153 -6.106 525 HA ASP 70 HA ASP 70 1.133 0.540 -5.594 526 1HB ASP 70 HB2 ASP 70 2.551 -1.516 -7.263 527 2HB ASP 70 HB1 ASP 70 0.953 -1.839 -6.599 528 H ILE 71 HN ILE 71 0.092 -1.200 -4.398 529 HA ILE 71 HA ILE 71 1.109 -1.683 -1.884 530 HB ILE 71 HB ILE 71 -1.230 -1.993 -2.662 531 1HG1 ILE 71 HG12 ILE 71 -1.762 -3.284 -0.904 532 2HG1 ILE 71 HG11 ILE 71 -0.862 -4.677 -1.515 533 1HG2 ILE 71 HG21 ILE 71 -1.770 -4.265 -3.616 534 2HG2 ILE 71 HG22 ILE 71 -0.040 -4.433 -3.918 535 3HG2 ILE 71 HG23 ILE 71 -0.949 -3.128 -4.683 536 1HD1 ILE 71 HD11 ILE 71 0.523 -2.350 -0.194 537 2HD1 ILE 71 HD12 ILE 71 1.087 -4.008 -0.406 538 3HD1 ILE 71 HD13 ILE 71 -0.200 -3.655 0.747 539 H ASP 72 HN ASP 72 1.514 -3.432 -4.859 540 HA ASP 72 HA ASP 72 2.895 -5.626 -3.594 541 1HB ASP 72 HB2 ASP 72 2.470 -6.744 -5.500 542 2HB ASP 72 HB1 ASP 72 1.383 -5.408 -5.859 543 H SER 73 HN SER 73 3.638 -2.678 -5.326 544 HA SER 73 HA SER 73 6.393 -3.370 -5.741 545 1HB SER 73 HB2 SER 73 4.684 -1.524 -6.872 546 2HB SER 73 HB1 SER 73 5.811 -0.531 -5.943 547 HG SER 73 HG SER 73 7.390 -1.092 -7.239 548 H PHE 74 HN PHE 74 4.852 -0.805 -3.617 549 HA PHE 74 HA PHE 74 7.326 -0.180 -2.406 550 1HB PHE 74 HB2 PHE 74 5.361 1.277 -2.144 551 2HB PHE 74 HB1 PHE 74 4.569 0.035 -1.177 552 HD1 PHE 74 HD1 PHE 74 7.767 1.958 -1.263 553 HD2 PHE 74 HD2 PHE 74 4.697 0.203 1.105 554 HE1 PHE 74 HE1 PHE 74 8.794 2.903 0.761 555 HE2 PHE 74 HE2 PHE 74 5.720 1.141 3.133 556 HZ PHE 74 HZ PHE 74 7.848 2.403 2.964 557 H PHE 75 HN PHE 75 5.170 -2.803 -2.035 558 HA PHE 75 HA PHE 75 6.598 -3.717 0.353 559 1HB PHE 75 HB2 PHE 75 3.969 -4.720 -0.749 560 2HB PHE 75 HB1 PHE 75 4.703 -5.160 0.795 561 HD1 PHE 75 HD1 PHE 75 3.479 -2.228 -1.117 562 HD2 PHE 75 HD2 PHE 75 4.189 -3.937 2.711 563 HE1 PHE 75 HE1 PHE 75 2.409 -0.291 -0.087 564 HE2 PHE 75 HE2 PHE 75 3.113 -2.001 3.794 565 HZ PHE 75 HZ PHE 75 2.209 -0.167 2.386 566 H SER 76 HN SER 76 6.959 -3.843 -2.745 567 HA SER 76 HA SER 76 7.309 -6.625 -3.307 568 1HB SER 76 HB2 SER 76 7.618 -5.860 -5.418 569 2HB SER 76 HB1 SER 76 7.458 -4.212 -4.813 570 HG SER 76 HG SER 76 9.460 -4.037 -5.418 571 H ARG 77 HN ARG 77 9.258 -3.854 -2.393 572 HA ARG 77 HA ARG 77 11.770 -5.038 -2.187 573 1HB ARG 77 HB2 ARG 77 11.675 -3.353 0.013 574 2HB ARG 77 HB1 ARG 77 12.155 -2.890 -1.612 575 1HG ARG 77 HG2 ARG 77 9.263 -2.819 -0.927 576 2HG ARG 77 HG1 ARG 77 10.316 -1.562 -0.279 577 1HD ARG 77 HD2 ARG 77 10.746 -2.094 -3.116 578 2HD ARG 77 HD1 ARG 77 9.113 -1.537 -2.743 579 HE ARG 77 HE ARG 77 10.144 0.422 -1.698 580 1HH1 ARG 77 HH11 ARG 77 12.078 -1.477 -3.887 581 2HH1 ARG 77 HH12 ARG 77 13.160 -0.177 -4.263 582 1HH2 ARG 77 HH21 ARG 77 11.559 2.142 -2.192 583 2HH2 ARG 77 HH22 ARG 77 12.865 1.880 -3.298 584 H ALA 78 HN ALA 78 8.881 -5.417 -0.418 585 HA ALA 78 HA ALA 78 10.102 -6.804 1.799 586 1HB ALA 78 HB1 ALA 78 7.802 -5.376 1.624 587 2HB ALA 78 HB2 ALA 78 8.128 -6.579 2.873 588 3HB ALA 78 HB3 ALA 78 7.195 -7.024 1.441 589 H THR 79 HN THR 79 11.150 -8.356 0.482 590 HA THR 79 HA THR 79 10.961 -10.808 0.322 591 HB THR 79 HB THR 79 8.625 -10.206 -1.506 592 HG1 THR 79 HG1 THR 79 8.518 -11.762 0.857 593 1HG2 THR 79 HG21 THR 79 10.098 -12.721 -0.783 594 2HG2 THR 79 HG22 THR 79 9.711 -12.090 -2.384 595 3HG2 THR 79 HG23 THR 79 8.433 -12.755 -1.367 596 H THR 80 HN THR 80 11.013 -8.060 -1.655 597 HA THR 80 HA THR 80 11.979 -9.091 -4.063 598 HB THR 80 HB THR 80 11.771 -6.444 -2.825 599 HG1 THR 80 HG1 THR 80 11.250 -5.949 -5.031 600 1HG2 THR 80 HG21 THR 80 14.206 -7.135 -4.388 601 2HG2 THR 80 HG22 THR 80 13.986 -5.947 -3.102 602 3HG2 THR 80 HG23 THR 80 13.413 -5.598 -4.733 603 HA PRO 81 HA PRO 81 15.788 -10.628 -2.475 604 1HB PRO 81 HB2 PRO 81 16.285 -11.339 -5.272 605 2HB PRO 81 HB1 PRO 81 16.164 -12.385 -3.860 606 1HG PRO 81 HG2 PRO 81 14.197 -12.258 -5.722 607 2HG PRO 81 HG1 PRO 81 13.879 -12.540 -4.010 608 1HD PRO 81 HD2 PRO 81 13.628 -10.057 -5.627 609 2HD PRO 81 HD1 PRO 81 12.534 -10.706 -4.396 610 H GLN 82 HN GLN 82 18.136 -10.723 -3.545 611 HA GLN 82 HA GLN 82 19.587 -8.661 -3.018 612 1HB GLN 82 HB2 GLN 82 19.898 -9.765 -5.806 613 2HB GLN 82 HB1 GLN 82 21.153 -9.129 -4.754 614 1HG GLN 82 HG2 GLN 82 21.496 -11.110 -3.839 615 2HG GLN 82 HG1 GLN 82 19.780 -11.333 -3.508 616 1HE2 GLN 82 HE21 GLN 82 18.736 -11.340 -6.028 617 2HE2 GLN 82 HE22 GLN 82 19.314 -12.713 -6.903 618 H ASP 83 HN ASP 83 18.309 -8.757 -6.304 619 HA ASP 83 HA ASP 83 17.100 -6.281 -6.359 620 1HB ASP 83 HB2 ASP 83 19.902 -5.975 -6.319 621 2HB ASP 83 HB1 ASP 83 19.414 -5.714 -7.995 622 H TRP 84 HN TRP 84 19.010 -8.659 -8.039 623 HA TRP 84 HA TRP 84 17.430 -8.248 -10.459 624 1HB TRP 84 HB2 TRP 84 19.455 -9.855 -11.253 625 2HB TRP 84 HB1 TRP 84 19.522 -8.097 -11.284 626 HD1 TRP 84 HD1 TRP 84 20.574 -11.020 -8.966 627 HE1 TRP 84 HE1 TRP 84 22.617 -10.221 -7.606 628 HE3 TRP 84 HE3 TRP 84 20.706 -6.210 -10.554 629 HZ2 TRP 84 HZ2 TRP 84 24.078 -7.805 -7.250 630 HZ3 TRP 84 HZ3 TRP 84 22.404 -4.716 -9.674 631 HH2 TRP 84 HH2 TRP 84 24.075 -5.477 -8.051 632 H TYR 85 HN TYR 85 18.084 -10.467 -7.930 633 HA TYR 85 HA TYR 85 17.783 -12.681 -7.657 634 1HB TYR 85 HB2 TYR 85 15.025 -12.649 -8.372 635 2HB TYR 85 HB1 TYR 85 15.790 -12.605 -6.801 636 HD1 TYR 85 HD1 TYR 85 16.917 -10.061 -6.443 637 HD2 TYR 85 HD2 TYR 85 13.428 -11.084 -8.581 638 HE1 TYR 85 HE1 TYR 85 16.001 -7.873 -5.957 639 HE2 TYR 85 HE2 TYR 85 12.491 -8.865 -8.168 640 HH TYR 85 HH TYR 85 13.165 -6.666 -7.560 641 H GLU 86 HN GLU 86 15.397 -14.001 -9.096 642 HA GLU 86 HA GLU 86 16.877 -14.731 -11.538 643 1HB GLU 86 HB2 GLU 86 15.222 -16.875 -10.606 644 2HB GLU 86 HB1 GLU 86 16.973 -16.847 -10.803 645 1HG GLU 86 HG2 GLU 86 15.678 -15.640 -8.380 646 2HG GLU 86 HG1 GLU 86 15.961 -17.381 -8.490 647 H ASP 87 HN ASP 87 15.644 -15.078 -13.391 648 HA ASP 87 HA ASP 87 13.335 -13.670 -13.783 649 1HB ASP 87 HB2 ASP 87 12.881 -15.545 -15.606 650 2HB ASP 87 HB1 ASP 87 14.210 -14.406 -15.784 651 H GLU 88 HN GLU 88 13.748 -16.720 -12.243 652 HA GLU 88 HA GLU 88 10.938 -17.354 -12.246 653 1HB GLU 88 HB2 GLU 88 11.539 -19.393 -11.160 654 2HB GLU 88 HB1 GLU 88 12.702 -19.114 -12.447 655 1HG GLU 88 HG2 GLU 88 14.073 -17.976 -10.524 656 2HG GLU 88 HG1 GLU 88 13.063 -18.994 -9.499 657 H GLU 89 HN GLU 89 13.341 -16.105 -10.051 658 HA GLU 89 HA GLU 89 11.649 -16.225 -7.752 659 1HB GLU 89 HB2 GLU 89 14.343 -15.364 -8.413 660 2HB GLU 89 HB1 GLU 89 13.596 -14.422 -7.136 661 1HG GLU 89 HG2 GLU 89 13.158 -17.246 -6.727 662 2HG GLU 89 HG1 GLU 89 14.877 -16.883 -6.880 663 H ASN 90 HN ASN 90 12.915 -13.420 -9.656 664 HA ASN 90 HA ASN 90 11.656 -11.488 -8.230 665 1HB ASN 90 HB2 ASN 90 11.122 -10.656 -10.871 666 2HB ASN 90 HB1 ASN 90 12.530 -10.246 -9.903 667 1HD2 ASN 90 HD21 ASN 90 14.304 -11.859 -9.983 668 2HD2 ASN 90 HD22 ASN 90 14.666 -12.559 -11.515 669 H ALA 91 HN ALA 91 10.263 -13.753 -10.493 670 HA ALA 91 HA ALA 91 7.628 -12.558 -10.404 671 1HB ALA 91 HB1 ALA 91 7.777 -15.230 -11.534 672 2HB ALA 91 HB2 ALA 91 8.950 -14.124 -12.248 673 3HB ALA 91 HB3 ALA 91 7.233 -13.719 -12.265 674 H VAL 92 HN VAL 92 9.370 -15.221 -8.905 675 HA VAL 92 HA VAL 92 6.967 -16.363 -7.738 676 HB VAL 92 HB VAL 92 9.874 -17.049 -7.727 677 1HG1 VAL 92 HG11 VAL 92 8.006 -17.682 -5.462 678 2HG1 VAL 92 HG12 VAL 92 9.669 -17.098 -5.401 679 3HG1 VAL 92 HG13 VAL 92 9.335 -18.761 -5.883 680 1HG2 VAL 92 HG21 VAL 92 7.660 -18.040 -8.977 681 2HG2 VAL 92 HG22 VAL 92 7.843 -19.156 -7.625 682 3HG2 VAL 92 HG23 VAL 92 9.176 -18.914 -8.754 683 H VAL 93 HN VAL 93 9.909 -14.800 -6.601 684 HA VAL 93 HA VAL 93 9.327 -14.474 -3.973 685 HB VAL 93 HB VAL 93 11.345 -13.683 -5.638 686 1HG1 VAL 93 HG11 VAL 93 9.763 -11.576 -5.956 687 2HG1 VAL 93 HG12 VAL 93 11.518 -11.431 -5.895 688 3HG1 VAL 93 HG13 VAL 93 10.553 -11.072 -4.462 689 1HG2 VAL 93 HG21 VAL 93 11.885 -12.322 -3.305 690 2HG2 VAL 93 HG22 VAL 93 12.226 -14.022 -3.632 691 3HG2 VAL 93 HG23 VAL 93 10.739 -13.563 -2.803 692 H ALA 94 HN ALA 94 8.290 -12.525 -6.733 693 HA ALA 94 HA ALA 94 6.986 -10.483 -5.234 694 1HB ALA 94 HB1 ALA 94 7.646 -10.112 -7.542 695 2HB ALA 94 HB2 ALA 94 5.902 -9.914 -7.376 696 3HB ALA 94 HB3 ALA 94 6.557 -11.388 -8.089 697 H LYS 95 HN LYS 95 5.969 -13.646 -6.483 698 HA LYS 95 HA LYS 95 3.228 -13.470 -6.328 699 1HB LYS 95 HB2 LYS 95 4.844 -15.804 -5.275 700 2HB LYS 95 HB1 LYS 95 3.163 -15.847 -5.779 701 1HG LYS 95 HG2 LYS 95 5.607 -15.528 -7.486 702 2HG LYS 95 HG1 LYS 95 4.407 -16.819 -7.520 703 1HD LYS 95 HD2 LYS 95 3.042 -14.374 -7.948 704 2HD LYS 95 HD1 LYS 95 4.467 -14.379 -8.991 705 1HE LYS 95 HE2 LYS 95 2.017 -15.666 -9.437 706 2HE LYS 95 HE1 LYS 95 3.496 -15.808 -10.385 707 1HZ LYS 95 HZ1 LYS 95 2.635 -17.964 -9.654 708 2HZ LYS 95 HZ2 LYS 95 2.815 -17.497 -8.038 709 3HZ LYS 95 HZ3 LYS 95 4.177 -17.660 -9.027 710 H PHE 96 HN PHE 96 5.578 -13.776 -3.732 711 HA PHE 96 HA PHE 96 3.645 -14.053 -1.657 712 1HB PHE 96 HB2 PHE 96 6.162 -14.624 -1.554 713 2HB PHE 96 HB1 PHE 96 6.403 -12.907 -1.255 714 HD1 PHE 96 HD1 PHE 96 4.200 -12.227 0.544 715 HD2 PHE 96 HD2 PHE 96 6.643 -15.717 0.407 716 HE1 PHE 96 HE1 PHE 96 3.805 -12.600 2.943 717 HE2 PHE 96 HE2 PHE 96 6.245 -16.092 2.806 718 HZ PHE 96 HZ PHE 96 4.826 -14.532 4.077 719 H GLN 97 HN GLN 97 5.661 -11.284 -2.677 720 HA GLN 97 HA GLN 97 4.656 -9.325 -1.041 721 1HB GLN 97 HB2 GLN 97 5.176 -9.004 -4.008 722 2HB GLN 97 HB1 GLN 97 5.241 -7.743 -2.801 723 1HG GLN 97 HG2 GLN 97 7.271 -8.406 -1.999 724 2HG GLN 97 HG1 GLN 97 7.022 -10.086 -2.461 725 1HE2 GLN 97 HE21 GLN 97 9.127 -10.056 -3.315 726 2HE2 GLN 97 HE22 GLN 97 9.419 -9.387 -4.871 727 H LYS 98 HN LYS 98 3.148 -10.970 -3.655 728 HA LYS 98 HA LYS 98 0.915 -9.234 -4.046 729 1HB LYS 98 HB2 LYS 98 1.885 -11.823 -5.054 730 2HB LYS 98 HB1 LYS 98 0.132 -11.680 -4.990 731 1HG LYS 98 HG2 LYS 98 1.178 -11.040 -7.172 732 2HG LYS 98 HG1 LYS 98 0.130 -9.817 -6.454 733 1HD LYS 98 HD2 LYS 98 1.890 -8.424 -5.932 734 2HD LYS 98 HD1 LYS 98 3.060 -9.746 -5.885 735 1HE LYS 98 HE2 LYS 98 3.114 -8.077 -7.866 736 2HE LYS 98 HE1 LYS 98 3.286 -9.801 -8.186 737 1HZ LYS 98 HZ1 LYS 98 1.685 -8.488 -9.637 738 2HZ LYS 98 HZ2 LYS 98 0.650 -8.468 -8.299 739 3HZ LYS 98 HZ3 LYS 98 1.117 -9.942 -8.984 740 H LEU 99 HN LEU 99 1.362 -12.397 -2.490 741 HA LEU 99 HA LEU 99 -1.181 -12.836 -1.567 742 1HB LEU 99 HB2 LEU 99 1.506 -13.724 -0.810 743 2HB LEU 99 HB1 LEU 99 0.342 -13.793 0.500 744 HG LEU 99 HG LEU 99 0.485 -15.936 -0.637 745 1HD1 LEU 99 HD11 LEU 99 -1.623 -15.759 0.222 746 2HD1 LEU 99 HD12 LEU 99 -2.001 -15.959 -1.489 747 3HD1 LEU 99 HD13 LEU 99 -2.028 -14.353 -0.763 748 1HD2 LEU 99 HD21 LEU 99 -0.532 -14.557 -3.112 749 2HD2 LEU 99 HD22 LEU 99 -0.049 -16.244 -2.933 750 3HD2 LEU 99 HD23 LEU 99 1.163 -14.966 -2.846 751 H LEU 100 HN LEU 100 1.040 -10.464 -0.572 752 HA LEU 100 HA LEU 100 -0.115 -10.005 2.019 753 1HB LEU 100 HB2 LEU 100 2.010 -9.265 2.112 754 2HB LEU 100 HB1 LEU 100 2.048 -8.974 0.386 755 HG LEU 100 HG LEU 100 0.392 -6.994 1.431 756 1HD1 LEU 100 HD11 LEU 100 2.299 -7.840 3.397 757 2HD1 LEU 100 HD12 LEU 100 1.057 -6.594 3.510 758 3HD1 LEU 100 HD13 LEU 100 2.651 -6.195 2.870 759 1HD2 LEU 100 HD21 LEU 100 3.264 -6.853 0.556 760 2HD2 LEU 100 HD22 LEU 100 2.141 -5.496 0.652 761 3HD2 LEU 100 HD23 LEU 100 1.855 -6.798 -0.503 762 H GLU 101 HN GLU 101 -0.038 -8.075 -1.030 763 HA GLU 101 HA GLU 101 -1.772 -6.093 -0.156 764 1HB GLU 101 HB2 GLU 101 -2.325 -5.703 -2.489 765 2HB GLU 101 HB1 GLU 101 -0.595 -5.939 -2.268 766 1HG GLU 101 HG2 GLU 101 -1.607 -8.452 -2.887 767 2HG GLU 101 HG1 GLU 101 -2.447 -7.333 -3.954 768 H VAL 102 HN VAL 102 -2.410 -9.220 -1.424 769 HA VAL 102 HA VAL 102 -5.227 -8.852 -1.654 770 HB VAL 102 HB VAL 102 -3.396 -10.163 -2.981 771 1HG1 VAL 102 HG11 VAL 102 -2.952 -12.294 -2.381 772 2HG1 VAL 102 HG12 VAL 102 -4.597 -12.598 -1.826 773 3HG1 VAL 102 HG13 VAL 102 -3.453 -11.764 -0.777 774 1HG2 VAL 102 HG21 VAL 102 -6.235 -11.176 -2.713 775 2HG2 VAL 102 HG22 VAL 102 -5.170 -11.378 -4.105 776 3HG2 VAL 102 HG23 VAL 102 -5.735 -9.770 -3.652 777 H ILE 103 HN ILE 103 -3.081 -10.528 0.638 778 HA ILE 103 HA ILE 103 -5.449 -11.530 2.058 779 HB ILE 103 HB ILE 103 -2.522 -12.146 2.329 780 1HG1 ILE 103 HG12 ILE 103 -3.950 -13.293 0.594 781 2HG1 ILE 103 HG11 ILE 103 -3.149 -14.374 1.730 782 1HG2 ILE 103 HG21 ILE 103 -3.136 -13.678 4.191 783 2HG2 ILE 103 HG22 ILE 103 -4.731 -12.926 4.221 784 3HG2 ILE 103 HG23 ILE 103 -3.298 -11.967 4.590 785 1HD1 ILE 103 HD11 ILE 103 -5.527 -14.938 1.181 786 2HD1 ILE 103 HD12 ILE 103 -5.997 -13.474 2.046 787 3HD1 ILE 103 HD13 ILE 103 -5.167 -14.774 2.901 788 H LYS 104 HN LYS 104 -2.800 -9.293 2.342 789 HA LYS 104 HA LYS 104 -3.419 -8.597 5.078 790 1HB LYS 104 HB2 LYS 104 -1.487 -7.398 3.103 791 2HB LYS 104 HB1 LYS 104 -1.696 -6.819 4.751 792 1HG LYS 104 HG2 LYS 104 -0.484 -9.371 3.774 793 2HG LYS 104 HG1 LYS 104 0.157 -8.191 4.917 794 1HD LYS 104 HD2 LYS 104 -1.481 -8.889 6.576 795 2HD LYS 104 HD1 LYS 104 -2.177 -10.037 5.430 796 1HE LYS 104 HE2 LYS 104 0.308 -10.903 5.336 797 2HE LYS 104 HE1 LYS 104 0.404 -10.140 6.922 798 1HZ LYS 104 HZ1 LYS 104 -0.806 -12.602 6.186 799 2HZ LYS 104 HZ2 LYS 104 -1.937 -11.590 6.932 800 3HZ LYS 104 HZ3 LYS 104 -0.499 -11.982 7.729 801 H SER 105 HN SER 105 -3.384 -6.714 1.986 802 HA SER 105 HA SER 105 -4.894 -4.623 3.222 803 1HB SER 105 HB2 SER 105 -3.565 -5.036 0.698 804 2HB SER 105 HB1 SER 105 -5.166 -4.336 0.462 805 HG SER 105 HG SER 105 -3.156 -3.337 2.195 806 H ASN 106 HN ASN 106 -5.531 -7.329 1.206 807 HA ASN 106 HA ASN 106 -7.340 -8.558 0.829 808 1HB ASN 106 HB2 ASN 106 -8.666 -6.660 2.766 809 2HB ASN 106 HB1 ASN 106 -9.509 -8.014 2.019 810 1HD2 ASN 106 HD21 ASN 106 -6.336 -7.522 3.504 811 2HD2 ASN 106 HD22 ASN 106 -6.446 -8.858 4.588 812 H LEU 107 HN LEU 107 -7.919 -5.112 0.879 813 HA LEU 107 HA LEU 107 -9.865 -5.147 -1.232 814 1HB LEU 107 HB2 LEU 107 -9.556 -2.634 -1.138 815 2HB LEU 107 HB1 LEU 107 -10.244 -3.420 0.268 816 HG LEU 107 HG LEU 107 -8.070 -3.273 1.409 817 1HD1 LEU 107 HD11 LEU 107 -6.265 -1.972 0.481 818 2HD1 LEU 107 HD12 LEU 107 -7.198 -1.660 -0.983 819 3HD1 LEU 107 HD13 LEU 107 -6.649 -3.297 -0.618 820 1HD2 LEU 107 HD21 LEU 107 -8.716 -0.553 0.372 821 2HD2 LEU 107 HD22 LEU 107 -8.324 -1.064 2.014 822 3HD2 LEU 107 HD23 LEU 107 -9.900 -1.449 1.323 823 H LYS 108 HN LYS 108 -9.486 -3.461 -3.021 824 HA LYS 108 HA LYS 108 -7.783 -4.529 -4.849 825 1HB LYS 108 HB2 LYS 108 -8.888 -3.003 -6.059 826 2HB LYS 108 HB1 LYS 108 -9.295 -2.077 -4.619 827 1HG LYS 108 HG2 LYS 108 -8.001 -0.494 -5.466 828 2HG LYS 108 HG1 LYS 108 -6.642 -1.489 -4.984 829 1HD LYS 108 HD2 LYS 108 -7.130 -2.639 -7.321 830 2HD LYS 108 HD1 LYS 108 -7.849 -1.067 -7.677 831 1HE LYS 108 HE2 LYS 108 -5.760 0.038 -7.125 832 2HE LYS 108 HE1 LYS 108 -5.039 -1.508 -6.678 833 1HZ LYS 108 HZ1 LYS 108 -4.972 -0.344 -9.149 834 2HZ LYS 108 HZ2 LYS 108 -6.135 -1.560 -9.311 835 3HZ LYS 108 HZ3 LYS 108 -4.575 -1.950 -8.789 836 H ASN 109 HN ASN 109 -5.725 -4.465 -5.269 837 HA ASN 109 HA ASN 109 -3.771 -4.022 -3.484 838 1HB ASN 109 HB2 ASN 109 -3.747 -3.781 -6.487 839 2HB ASN 109 HB1 ASN 109 -2.272 -3.795 -5.517 840 1HD2 ASN 109 HD21 ASN 109 -4.703 -5.538 -4.044 841 2HD2 ASN 109 HD22 ASN 109 -4.235 -7.121 -4.530 842 HA PRO 110 HA PRO 110 -4.343 0.463 -2.802 843 1HB PRO 110 HB2 PRO 110 -1.962 -0.231 -1.143 844 2HB PRO 110 HB1 PRO 110 -3.347 0.795 -0.744 845 1HG PRO 110 HG2 PRO 110 -3.139 -1.689 0.205 846 2HG PRO 110 HG1 PRO 110 -4.707 -1.008 -0.266 847 1HD PRO 110 HD2 PRO 110 -3.053 -3.062 -1.631 848 2HD PRO 110 HD1 PRO 110 -4.808 -2.819 -1.672 849 H GLN 111 HN GLN 111 -3.092 2.254 -3.269 850 HA GLN 111 HA GLN 111 -0.734 1.671 -4.937 851 1HB GLN 111 HB2 GLN 111 -1.881 4.354 -5.172 852 2HB GLN 111 HB1 GLN 111 -1.460 3.198 -6.429 853 1HG GLN 111 HG2 GLN 111 -3.885 2.596 -4.838 854 2HG GLN 111 HG1 GLN 111 -3.975 3.979 -5.932 855 1HE2 GLN 111 HE21 GLN 111 -2.531 0.740 -6.023 856 2HE2 GLN 111 HE22 GLN 111 -3.207 0.290 -7.549 857 H VAL 112 HN VAL 112 1.192 2.265 -4.075 858 HA VAL 112 HA VAL 112 1.180 3.906 -1.735 859 HB VAL 112 HB VAL 112 2.700 2.408 -1.291 860 1HG1 VAL 112 HG11 VAL 112 2.511 1.786 -3.994 861 2HG1 VAL 112 HG12 VAL 112 3.082 0.782 -2.663 862 3HG1 VAL 112 HG13 VAL 112 4.214 1.803 -3.549 863 1HG2 VAL 112 HG21 VAL 112 5.021 3.092 -1.751 864 2HG2 VAL 112 HG22 VAL 112 3.995 4.410 -1.185 865 3HG2 VAL 112 HG23 VAL 112 4.392 4.274 -2.898 866 H TYR 113 HN TYR 113 2.139 5.866 -1.450 867 HA TYR 113 HA TYR 113 3.005 7.314 -3.869 868 1HB TYR 113 HB2 TYR 113 1.403 8.529 -1.617 869 2HB TYR 113 HB1 TYR 113 1.758 9.227 -3.193 870 HD1 TYR 113 HD1 TYR 113 -0.440 7.017 -1.322 871 HD2 TYR 113 HD2 TYR 113 0.595 8.370 -5.218 872 HE1 TYR 113 HE1 TYR 113 -2.551 6.074 -2.182 873 HE2 TYR 113 HE2 TYR 113 -1.513 7.458 -6.096 874 HH TYR 113 HH TYR 113 -3.356 6.301 -5.643 875 H ARG 114 HN ARG 114 5.076 7.896 -3.630 876 HA ARG 114 HA ARG 114 6.159 8.271 -0.927 877 1HB ARG 114 HB2 ARG 114 7.583 7.931 -3.575 878 2HB ARG 114 HB1 ARG 114 8.380 8.117 -2.020 879 1HG ARG 114 HG2 ARG 114 7.650 6.017 -1.280 880 2HG ARG 114 HG1 ARG 114 6.454 5.885 -2.571 881 1HD ARG 114 HD2 ARG 114 8.682 4.574 -2.738 882 2HD ARG 114 HD1 ARG 114 8.041 5.376 -4.166 883 HE ARG 114 HE ARG 114 9.653 7.260 -3.286 884 1HH1 ARG 114 HH11 ARG 114 10.195 3.821 -3.433 885 2HH1 ARG 114 HH12 ARG 114 11.910 3.969 -3.619 886 1HH2 ARG 114 HH21 ARG 114 11.914 7.463 -3.533 887 2HH2 ARG 114 HH22 ARG 114 12.886 6.037 -3.676 888 H LEU 115 HN LEU 115 5.771 10.372 -0.333 889 HA LEU 115 HA LEU 115 6.897 12.422 -2.118 890 1HB LEU 115 HB2 LEU 115 4.581 12.979 -0.310 891 2HB LEU 115 HB1 LEU 115 5.182 13.936 -1.646 892 HG LEU 115 HG LEU 115 4.390 12.075 -3.187 893 1HD1 LEU 115 HD11 LEU 115 3.635 10.193 -2.312 894 2HD1 LEU 115 HD12 LEU 115 2.339 11.087 -1.516 895 3HD1 LEU 115 HD13 LEU 115 3.873 10.828 -0.684 896 1HD2 LEU 115 HD21 LEU 115 3.011 14.192 -1.898 897 2HD2 LEU 115 HD22 LEU 115 1.887 12.849 -2.098 898 3HD2 LEU 115 HD23 LEU 115 2.730 13.510 -3.500 899 H GLY 116 HN GLY 116 8.660 13.131 -1.188 900 1HA GLY 116 HA2 GLY 116 8.874 14.791 0.893 901 2HA GLY 116 HA1 GLY 116 8.981 13.229 1.683 902 H GLU 117 HN GLU 117 10.861 15.570 0.913 903 HA GLU 117 HA GLU 117 12.885 13.987 -0.431 904 1HB GLU 117 HB2 GLU 117 13.759 16.666 0.080 905 2HB GLU 117 HB1 GLU 117 13.410 15.886 -1.465 906 1HG GLU 117 HG2 GLU 117 11.988 17.697 -1.454 907 2HG GLU 117 HG1 GLU 117 10.949 16.382 -0.940 908 H VAL 118 HN VAL 118 13.953 12.804 0.905 909 HA VAL 118 HA VAL 118 15.912 12.655 2.302 910 HB VAL 118 HB VAL 118 14.450 14.719 3.955 911 1HG1 VAL 118 HG11 VAL 118 16.752 14.156 5.341 912 2HG1 VAL 118 HG12 VAL 118 16.186 12.556 4.860 913 3HG1 VAL 118 HG13 VAL 118 15.130 13.625 5.785 914 1HG2 VAL 118 HG21 VAL 118 16.900 14.618 2.324 915 2HG2 VAL 118 HG22 VAL 118 17.055 15.447 3.873 916 3HG2 VAL 118 HG23 VAL 118 15.845 15.979 2.706 917 H GLU 119 HN GLU 119 12.603 12.955 3.458 918 HA GLU 119 HA GLU 119 12.565 10.152 4.140 919 1HB GLU 119 HB2 GLU 119 11.145 11.507 6.175 920 2HB GLU 119 HB1 GLU 119 12.525 10.441 6.332 921 1HG GLU 119 HG2 GLU 119 14.022 12.172 6.474 922 2HG GLU 119 HG1 GLU 119 12.970 13.287 5.605 923 H LEU 120 HN LEU 120 11.305 10.132 2.237 924 HA LEU 120 HA LEU 120 8.967 11.683 1.939 925 1HB LEU 120 HB2 LEU 120 8.543 10.316 -0.001 926 2HB LEU 120 HB1 LEU 120 10.249 10.714 0.074 927 HG LEU 120 HG LEU 120 10.484 8.380 1.232 928 1HD1 LEU 120 HD11 LEU 120 7.785 8.231 -0.056 929 2HD1 LEU 120 HD12 LEU 120 8.287 7.684 1.543 930 3HD1 LEU 120 HD13 LEU 120 8.806 6.803 0.106 931 1HD2 LEU 120 HD21 LEU 120 11.554 8.800 -0.830 932 2HD2 LEU 120 HD22 LEU 120 10.024 8.879 -1.699 933 3HD2 LEU 120 HD23 LEU 120 10.603 7.335 -1.074 934 H ASP 121 HN ASP 121 6.867 11.207 2.270 935 HA ASP 121 HA ASP 121 6.308 9.070 4.172 936 1HB ASP 121 HB2 ASP 121 5.280 11.696 3.731 937 2HB ASP 121 HB1 ASP 121 3.961 10.556 3.492 938 H VAL 122 HN VAL 122 5.649 7.157 3.434 939 HA VAL 122 HA VAL 122 4.588 6.960 0.734 940 HB VAL 122 HB VAL 122 5.719 5.004 2.675 941 1HG1 VAL 122 HG11 VAL 122 4.915 3.140 1.197 942 2HG1 VAL 122 HG12 VAL 122 3.782 4.288 0.485 943 3HG1 VAL 122 HG13 VAL 122 3.672 3.890 2.199 944 1HG2 VAL 122 HG21 VAL 122 6.255 4.518 -0.091 945 2HG2 VAL 122 HG22 VAL 122 7.366 4.984 1.197 946 3HG2 VAL 122 HG23 VAL 122 6.510 6.223 0.280 947 H TYR 123 HN TYR 123 2.532 6.756 0.261 948 HA TYR 123 HA TYR 123 0.662 5.954 2.396 949 1HB TYR 123 HB2 TYR 123 0.316 8.038 0.233 950 2HB TYR 123 HB1 TYR 123 -1.035 7.364 1.139 951 HD1 TYR 123 HD1 TYR 123 -0.650 10.246 1.154 952 HD2 TYR 123 HD2 TYR 123 1.169 7.284 3.611 953 HE1 TYR 123 HE1 TYR 123 -0.302 11.926 2.915 954 HE2 TYR 123 HE2 TYR 123 1.521 8.959 5.375 955 HH TYR 123 HH TYR 123 1.200 12.280 4.853 956 H VAL 124 HN VAL 124 -0.549 4.221 1.906 957 HA VAL 124 HA VAL 124 -0.785 3.484 -0.932 958 HB VAL 124 HB VAL 124 -0.911 1.224 0.928 959 1HG1 VAL 124 HG11 VAL 124 -0.371 1.707 -1.770 960 2HG1 VAL 124 HG12 VAL 124 -0.366 0.153 -0.937 961 3HG1 VAL 124 HG13 VAL 124 1.128 1.079 -1.089 962 1HG2 VAL 124 HG21 VAL 124 1.834 2.348 0.500 963 2HG2 VAL 124 HG22 VAL 124 1.302 1.110 1.639 964 3HG2 VAL 124 HG23 VAL 124 0.878 2.799 1.913 965 H ILE 125 HN ILE 125 -2.842 3.479 -1.554 966 HA ILE 125 HA ILE 125 -4.885 2.621 0.384 967 HB ILE 125 HB ILE 125 -5.484 4.944 -1.426 968 1HG1 ILE 125 HG12 ILE 125 -4.883 5.799 1.264 969 2HG1 ILE 125 HG11 ILE 125 -3.472 5.031 0.545 970 1HG2 ILE 125 HG21 ILE 125 -7.453 4.697 -0.427 971 2HG2 ILE 125 HG22 ILE 125 -6.696 5.121 1.108 972 3HG2 ILE 125 HG23 ILE 125 -6.804 3.431 0.615 973 1HD1 ILE 125 HD11 ILE 125 -3.288 7.313 0.050 974 2HD1 ILE 125 HD12 ILE 125 -4.982 7.429 -0.428 975 3HD1 ILE 125 HD13 ILE 125 -3.837 6.551 -1.442 976 H GLY 126 HN GLY 126 -6.199 1.214 -0.450 977 1HA GLY 126 HA2 GLY 126 -6.237 0.704 -3.323 978 2HA GLY 126 HA1 GLY 126 -6.727 -0.410 -2.052 979 H GLU 127 HN GLU 127 -8.569 -0.439 -3.792 980 HA GLU 127 HA GLU 127 -10.637 1.216 -2.600 981 1HB GLU 127 HB2 GLU 127 -11.511 2.057 -4.636 982 2HB GLU 127 HB1 GLU 127 -9.782 2.376 -4.672 983 1HG GLU 127 HG2 GLU 127 -9.566 1.252 -6.569 984 2HG GLU 127 HG1 GLU 127 -10.328 -0.165 -5.845 985 H THR 128 HN THR 128 -11.472 -0.561 -1.653 986 HA THR 128 HA THR 128 -13.442 -1.876 -3.164 987 HB THR 128 HB THR 128 -11.489 -3.834 -2.009 988 HG1 THR 128 HG1 THR 128 -11.212 -3.932 -4.593 989 1HG2 THR 128 HG21 THR 128 -13.911 -3.926 -3.727 990 2HG2 THR 128 HG22 THR 128 -13.404 -5.009 -2.432 991 3HG2 THR 128 HG23 THR 128 -12.649 -5.122 -4.022 992 HA PRO 129 HA PRO 129 -13.901 -2.290 1.513 993 1HB PRO 129 HB2 PRO 129 -14.392 0.369 2.278 994 2HB PRO 129 HB1 PRO 129 -12.950 -0.565 2.664 995 1HG PRO 129 HG2 PRO 129 -13.089 1.706 1.005 996 2HG PRO 129 HG1 PRO 129 -11.710 0.617 1.204 997 1HD PRO 129 HD2 PRO 129 -13.704 0.757 -0.979 998 2HD PRO 129 HD1 PRO 129 -12.024 0.196 -1.007 999 H ALA 130 HN ALA 130 -15.047 0.434 -0.191 1000 HA ALA 130 HA ALA 130 -17.795 -0.534 -0.281 1001 1HB ALA 130 HB1 ALA 130 -16.747 2.112 0.545 1002 2HB ALA 130 HB2 ALA 130 -18.244 1.299 1.000 1003 3HB ALA 130 HB3 ALA 130 -18.130 2.135 -0.549 1004 H GLY 131 HN GLY 131 -14.916 0.220 -1.695 1005 1HA GLY 131 HA2 GLY 131 -14.800 -0.412 -4.091 1006 2HA GLY 131 HA1 GLY 131 -16.088 0.757 -4.335 1007 H ASN 132 HN ASN 132 -13.912 1.779 -1.912 1008 HA ASN 132 HA ASN 132 -11.668 2.785 -3.039 1009 1HB ASN 132 HB2 ASN 132 -12.529 3.826 -4.887 1010 2HB ASN 132 HB1 ASN 132 -14.008 4.301 -4.078 1011 1HD2 ASN 132 HD21 ASN 132 -10.739 4.711 -2.967 1012 2HD2 ASN 132 HD22 ASN 132 -10.737 6.425 -2.987 1013 H LEU 133 HN LEU 133 -10.911 2.992 -0.971 1014 HA LEU 133 HA LEU 133 -10.685 5.279 0.266 1015 1HB LEU 133 HB2 LEU 133 -12.366 5.641 1.944 1016 2HB LEU 133 HB1 LEU 133 -13.100 5.584 0.350 1017 HG LEU 133 HG LEU 133 -13.252 2.961 1.377 1018 1HD1 LEU 133 HD11 LEU 133 -13.170 3.300 3.599 1019 2HD1 LEU 133 HD12 LEU 133 -14.829 3.855 3.375 1020 3HD1 LEU 133 HD13 LEU 133 -13.511 5.024 3.454 1021 1HD2 LEU 133 HD21 LEU 133 -15.039 3.430 0.093 1022 2HD2 LEU 133 HD22 LEU 133 -15.044 5.135 0.546 1023 3HD2 LEU 133 HD23 LEU 133 -15.761 3.934 1.621 1024 H ALA 134 HN ALA 134 -9.116 3.012 0.347 1025 HA ALA 134 HA ALA 134 -8.451 2.987 3.063 1026 1HB ALA 134 HB1 ALA 134 -9.799 0.427 2.291 1027 2HB ALA 134 HB2 ALA 134 -10.587 1.719 3.193 1028 3HB ALA 134 HB3 ALA 134 -9.185 0.895 3.875 1029 H GLY 135 HN GLY 135 -6.516 2.138 3.489 1030 1HA GLY 135 HA2 GLY 135 -5.278 0.046 1.993 1031 2HA GLY 135 HA1 GLY 135 -4.664 1.619 1.504 1032 H ILE 136 HN ILE 136 -2.562 1.203 2.354 1033 HA ILE 136 HA ILE 136 -2.420 1.444 5.285 1034 HB ILE 136 HB ILE 136 -0.141 -0.004 4.469 1035 1HG1 ILE 136 HG12 ILE 136 -2.055 -2.018 3.917 1036 2HG1 ILE 136 HG11 ILE 136 -2.415 -0.668 2.854 1037 1HG2 ILE 136 HG21 ILE 136 -0.792 -1.517 6.146 1038 2HG2 ILE 136 HG22 ILE 136 -2.501 -1.129 5.944 1039 3HG2 ILE 136 HG23 ILE 136 -1.408 0.052 6.664 1040 1HD1 ILE 136 HD11 ILE 136 0.413 -1.473 3.053 1041 2HD1 ILE 136 HD12 ILE 136 -0.525 -0.930 1.660 1042 3HD1 ILE 136 HD13 ILE 136 -0.684 -2.589 2.239 1043 H SER 137 HN SER 137 0.192 1.821 5.775 1044 HA SER 137 HA SER 137 1.509 3.344 3.719 1045 1HB SER 137 HB2 SER 137 1.424 5.544 4.856 1046 2HB SER 137 HB1 SER 137 -0.159 4.998 4.305 1047 HG SER 137 HG SER 137 0.664 5.582 6.801 1048 H THR 138 HN THR 138 3.575 4.212 4.304 1049 HA THR 138 HA THR 138 4.636 3.690 6.949 1050 HB THR 138 HB THR 138 5.105 1.835 4.725 1051 HG1 THR 138 HG1 THR 138 5.137 1.884 7.515 1052 1HG2 THR 138 HG21 THR 138 7.520 2.543 6.379 1053 2HG2 THR 138 HG22 THR 138 7.254 3.215 4.770 1054 3HG2 THR 138 HG23 THR 138 7.424 1.473 4.982 1055 H LYS 139 HN LYS 139 6.954 4.454 7.134 1056 HA LYS 139 HA LYS 139 7.376 6.709 5.274 1057 1HB LYS 139 HB2 LYS 139 7.003 7.274 7.676 1058 2HB LYS 139 HB1 LYS 139 8.474 6.398 8.067 1059 1HG LYS 139 HG2 LYS 139 9.792 8.084 7.429 1060 2HG LYS 139 HG1 LYS 139 8.829 8.415 5.989 1061 1HD LYS 139 HD2 LYS 139 7.186 9.203 8.064 1062 2HD LYS 139 HD1 LYS 139 8.794 9.710 8.587 1063 1HE LYS 139 HE2 LYS 139 9.112 11.037 6.664 1064 2HE LYS 139 HE1 LYS 139 7.746 10.297 5.831 1065 1HZ LYS 139 HZ1 LYS 139 6.906 12.316 6.527 1066 2HZ LYS 139 HZ2 LYS 139 7.728 12.288 8.005 1067 3HZ LYS 139 HZ3 LYS 139 6.389 11.284 7.764 1068 H VAL 140 HN VAL 140 9.528 7.233 4.607 1069 HA VAL 140 HA VAL 140 11.623 5.242 4.982 1070 HB VAL 140 HB VAL 140 11.472 5.865 2.183 1071 1HG1 VAL 140 HG11 VAL 140 11.154 3.207 2.270 1072 2HG1 VAL 140 HG12 VAL 140 11.721 3.485 3.916 1073 3HG1 VAL 140 HG13 VAL 140 12.704 4.004 2.547 1074 1HG2 VAL 140 HG21 VAL 140 9.229 5.925 1.945 1075 2HG2 VAL 140 HG22 VAL 140 8.933 5.057 3.449 1076 3HG2 VAL 140 HG23 VAL 140 9.394 4.171 1.998 1077 H VAL 141 HN VAL 141 13.613 6.219 5.031 1078 HA VAL 141 HA VAL 141 13.825 9.043 4.583 1079 HB VAL 141 HB VAL 141 15.263 8.124 6.256 1080 1HG1 VAL 141 HG11 VAL 141 17.163 6.525 5.185 1081 2HG1 VAL 141 HG12 VAL 141 15.757 6.056 4.230 1082 3HG1 VAL 141 HG13 VAL 141 15.708 5.938 5.988 1083 1HG2 VAL 141 HG21 VAL 141 16.625 9.759 5.550 1084 2HG2 VAL 141 HG22 VAL 141 16.477 9.288 3.857 1085 3HG2 VAL 141 HG23 VAL 141 17.608 8.442 4.913 1086 H GLU 142 HN GLU 142 13.334 9.483 2.431 1087 HA GLU 142 HA GLU 142 15.473 8.973 0.552 1088 1HB GLU 142 HB2 GLU 142 12.762 7.761 0.284 1089 2HB GLU 142 HB1 GLU 142 13.575 8.322 -1.172 1090 1HG GLU 142 HG2 GLU 142 15.398 6.837 -0.821 1091 2HG GLU 142 HG1 GLU 142 14.819 6.416 0.791 1092 H THR 143 HN THR 143 15.244 10.234 -1.448 1093 HA THR 143 HA THR 143 13.607 12.674 -1.044 1094 HB THR 143 HB THR 143 15.309 13.835 -2.460 1095 HG1 THR 143 HG1 THR 143 16.776 12.664 -3.419 1096 1HG2 THR 143 HG21 THR 143 15.722 12.822 0.241 1097 2HG2 THR 143 HG22 THR 143 15.958 14.446 -0.406 1098 3HG2 THR 143 HG23 THR 143 17.230 13.236 -0.574 Start of MODEL 4 1 1H MET 1 HT1 MET 1 -7.230 -1.280 23.511 2 2H MET 1 HT2 MET 1 -7.715 -2.792 24.093 3 3H MET 1 HT3 MET 1 -8.826 -1.518 24.020 4 HA MET 1 HA MET 1 -8.935 -1.558 21.703 5 1HB MET 1 HB2 MET 1 -6.269 -2.579 22.038 6 2HB MET 1 HB1 MET 1 -7.166 -3.633 20.953 7 1HG MET 1 HG2 MET 1 -7.848 -1.289 19.895 8 2HG MET 1 HG1 MET 1 -6.295 -0.831 20.594 9 1HE MET 1 HE1 MET 1 -4.585 -0.527 18.705 10 2HE MET 1 HE2 MET 1 -6.105 -0.231 17.860 11 3HE MET 1 HE3 MET 1 -4.864 -1.241 17.117 12 H HIS 2 HN HIS 2 -10.883 -2.499 22.605 13 HA HIS 2 HA HIS 2 -11.042 -5.381 22.049 14 1HB HIS 2 HB2 HIS 2 -11.059 -4.618 24.572 15 2HB HIS 2 HB1 HIS 2 -12.735 -4.209 24.218 16 HD1 HIS 2 HD1 HIS 2 -14.363 -6.058 24.485 17 HD2 HIS 2 HD2 HIS 2 -10.488 -7.462 23.953 18 HE1 HIS 2 HE1 HIS 2 -14.508 -8.552 24.767 19 HE2 HIS 2 HE2 HIS 2 -12.139 -9.372 24.519 20 H HIS 3 HN HIS 3 -12.637 -5.928 20.699 21 HA HIS 3 HA HIS 3 -14.199 -3.988 19.403 22 1HB HIS 3 HB2 HIS 3 -14.124 -6.971 19.421 23 2HB HIS 3 HB1 HIS 3 -15.519 -6.177 18.699 24 HD1 HIS 3 HD1 HIS 3 -12.788 -7.748 17.478 25 HD2 HIS 3 HD2 HIS 3 -14.084 -3.827 17.014 26 HE1 HIS 3 HE1 HIS 3 -11.704 -6.927 15.363 27 HE2 HIS 3 HE2 HIS 3 -12.428 -4.524 15.153 28 H HIS 4 HN HIS 4 -16.423 -3.576 19.441 29 HA HIS 4 HA HIS 4 -18.079 -4.747 21.500 30 1HB HIS 4 HB2 HIS 4 -18.641 -2.543 22.523 31 2HB HIS 4 HB1 HIS 4 -16.979 -3.045 22.817 32 HD1 HIS 4 HD1 HIS 4 -15.166 -1.875 21.146 33 HD2 HIS 4 HD2 HIS 4 -18.883 -0.048 21.484 34 HE1 HIS 4 HE1 HIS 4 -14.842 0.468 20.295 35 HE2 HIS 4 HE2 HIS 4 -17.124 1.528 20.430 36 H HIS 5 HN HIS 5 -18.052 -4.528 18.589 37 HA HIS 5 HA HIS 5 -20.734 -3.398 18.257 38 1HB HIS 5 HB2 HIS 5 -18.410 -2.182 17.227 39 2HB HIS 5 HB1 HIS 5 -19.190 -2.967 15.858 40 HD1 HIS 5 HD1 HIS 5 -20.687 -1.414 14.678 41 HD2 HIS 5 HD2 HIS 5 -20.611 -0.656 18.763 42 HE1 HIS 5 HE1 HIS 5 -22.246 0.527 15.030 43 HE2 HIS 5 HE2 HIS 5 -22.220 0.940 17.516 44 H HIS 6 HN HIS 6 -20.769 -3.867 15.418 45 HA HIS 6 HA HIS 6 -20.651 -6.811 15.380 46 1HB HIS 6 HB2 HIS 6 -22.823 -4.958 14.742 47 2HB HIS 6 HB1 HIS 6 -22.515 -6.126 13.461 48 HD1 HIS 6 HD1 HIS 6 -21.689 -7.657 16.606 49 HD2 HIS 6 HD2 HIS 6 -25.188 -6.983 14.468 50 HE1 HIS 6 HE1 HIS 6 -23.380 -9.249 17.566 51 HE2 HIS 6 HE2 HIS 6 -25.464 -8.886 16.198 52 H HIS 7 HN HIS 7 -19.998 -7.829 13.474 53 HA HIS 7 HA HIS 7 -18.801 -6.057 11.446 54 1HB HIS 7 HB2 HIS 7 -17.627 -8.304 12.973 55 2HB HIS 7 HB1 HIS 7 -17.247 -8.265 11.254 56 HD1 HIS 7 HD1 HIS 7 -17.642 -5.078 13.174 57 HD2 HIS 7 HD2 HIS 7 -14.597 -7.511 11.731 58 HE1 HIS 7 HE1 HIS 7 -15.533 -3.728 13.411 59 HE2 HIS 7 HE2 HIS 7 -13.715 -5.192 12.462 60 H GLY 8 HN GLY 8 -18.074 -7.706 9.514 61 1HA GLY 8 HA2 GLY 8 -19.594 -9.889 8.812 62 2HA GLY 8 HA1 GLY 8 -20.562 -8.498 8.351 63 H SER 9 HN SER 9 -20.386 -9.174 6.155 64 HA SER 9 HA SER 9 -17.884 -9.438 4.837 65 1HB SER 9 HB2 SER 9 -20.668 -8.917 3.774 66 2HB SER 9 HB1 SER 9 -19.267 -9.216 2.745 67 HG SER 9 HG SER 9 -20.254 -11.167 3.058 68 H THR 10 HN THR 10 -16.742 -7.570 5.560 69 HA THR 10 HA THR 10 -17.477 -5.128 4.085 70 HB THR 10 HB THR 10 -15.883 -4.661 6.491 71 HG1 THR 10 HG1 THR 10 -17.183 -6.265 7.385 72 1HG2 THR 10 HG21 THR 10 -17.861 -3.358 4.857 73 2HG2 THR 10 HG22 THR 10 -16.737 -2.656 6.021 74 3HG2 THR 10 HG23 THR 10 -18.307 -3.253 6.560 75 H LYS 11 HN LYS 11 -15.540 -3.603 3.916 76 HA LYS 11 HA LYS 11 -12.960 -4.887 3.860 77 1HB LYS 11 HB2 LYS 11 -13.890 -5.584 1.711 78 2HB LYS 11 HB1 LYS 11 -14.276 -3.918 1.317 79 1HG LYS 11 HG2 LYS 11 -12.337 -4.640 0.102 80 2HG LYS 11 HG1 LYS 11 -11.868 -3.396 1.260 81 1HD LYS 11 HD2 LYS 11 -10.244 -5.198 1.241 82 2HD LYS 11 HD1 LYS 11 -11.090 -5.164 2.793 83 1HE LYS 11 HE2 LYS 11 -10.859 -7.453 1.996 84 2HE LYS 11 HE1 LYS 11 -12.555 -6.974 2.029 85 1HZ LYS 11 HZ1 LYS 11 -11.933 -6.318 -0.460 86 2HZ LYS 11 HZ2 LYS 11 -12.506 -7.850 -0.033 87 3HZ LYS 11 HZ3 LYS 11 -10.846 -7.597 -0.242 88 H THR 12 HN THR 12 -14.565 -2.513 4.885 89 HA THR 12 HA THR 12 -13.232 -0.164 3.887 90 HB THR 12 HB THR 12 -14.113 0.226 6.586 91 HG1 THR 12 HG1 THR 12 -16.426 -0.325 6.020 92 1HG2 THR 12 HG21 THR 12 -15.791 1.137 4.294 93 2HG2 THR 12 HG22 THR 12 -14.110 1.670 4.322 94 3HG2 THR 12 HG23 THR 12 -15.175 2.039 5.679 95 H ASN 13 HN ASN 13 -12.530 1.248 6.069 96 HA ASN 13 HA ASN 13 -9.933 0.462 6.622 97 1HB ASN 13 HB2 ASN 13 -11.131 2.730 7.114 98 2HB ASN 13 HB1 ASN 13 -11.587 1.981 8.640 99 1HD2 ASN 13 HD21 ASN 13 -9.370 0.610 9.377 100 2HD2 ASN 13 HD22 ASN 13 -8.042 1.687 9.604 101 H SER 14 HN SER 14 -12.988 -0.468 7.961 102 HA SER 14 HA SER 14 -12.307 -1.622 10.379 103 1HB SER 14 HB2 SER 14 -14.615 -1.452 9.492 104 2HB SER 14 HB1 SER 14 -14.229 -2.696 8.302 105 HG SER 14 HG SER 14 -14.623 -2.923 11.062 106 H GLU 15 HN GLU 15 -12.606 -3.339 7.278 107 HA GLU 15 HA GLU 15 -11.146 -5.614 8.179 108 1HB GLU 15 HB2 GLU 15 -12.713 -4.875 5.920 109 2HB GLU 15 HB1 GLU 15 -11.140 -5.387 5.328 110 1HG GLU 15 HG2 GLU 15 -12.474 -7.091 7.349 111 2HG GLU 15 HG1 GLU 15 -13.136 -7.077 5.715 112 H ILE 16 HN ILE 16 -10.510 -3.068 5.831 113 HA ILE 16 HA ILE 16 -7.968 -3.521 5.054 114 HB ILE 16 HB ILE 16 -9.184 -0.841 5.742 115 1HG1 ILE 16 HG12 ILE 16 -10.580 -1.816 4.133 116 2HG1 ILE 16 HG11 ILE 16 -9.476 -0.869 3.157 117 1HG2 ILE 16 HG21 ILE 16 -7.344 0.169 4.983 118 2HG2 ILE 16 HG22 ILE 16 -7.264 -0.886 3.571 119 3HG2 ILE 16 HG23 ILE 16 -6.540 -1.395 5.096 120 1HD1 ILE 16 HD11 ILE 16 -9.935 -3.101 2.243 121 2HD1 ILE 16 HD12 ILE 16 -9.206 -3.816 3.682 122 3HD1 ILE 16 HD13 ILE 16 -8.226 -2.839 2.590 123 H LEU 17 HN LEU 17 -8.988 -2.173 8.130 124 HA LEU 17 HA LEU 17 -6.282 -1.695 8.972 125 1HB LEU 17 HB2 LEU 17 -7.086 -0.595 10.765 126 2HB LEU 17 HB1 LEU 17 -8.397 -0.379 9.619 127 HG LEU 17 HG LEU 17 -9.322 -2.551 10.831 128 1HD1 LEU 17 HD11 LEU 17 -8.893 -2.417 13.234 129 2HD1 LEU 17 HD12 LEU 17 -7.702 -1.147 12.959 130 3HD1 LEU 17 HD13 LEU 17 -7.408 -2.778 12.353 131 1HD2 LEU 17 HD21 LEU 17 -10.471 -0.849 12.341 132 2HD2 LEU 17 HD22 LEU 17 -10.568 -0.598 10.591 133 3HD2 LEU 17 HD23 LEU 17 -9.421 0.333 11.556 134 H GLU 18 HN GLU 18 -8.843 -4.006 9.596 135 HA GLU 18 HA GLU 18 -7.673 -5.385 11.690 136 1HB GLU 18 HB2 GLU 18 -9.901 -5.915 11.186 137 2HB GLU 18 HB1 GLU 18 -9.532 -6.250 9.499 138 1HG GLU 18 HG2 GLU 18 -8.010 -8.121 10.528 139 2HG GLU 18 HG1 GLU 18 -9.104 -7.950 11.903 140 H GLN 19 HN GLN 19 -7.580 -6.398 8.251 141 HA GLN 19 HA GLN 19 -5.675 -8.422 8.696 142 1HB GLN 19 HB2 GLN 19 -5.423 -7.599 6.017 143 2HB GLN 19 HB1 GLN 19 -6.327 -8.975 6.627 144 1HG GLN 19 HG2 GLN 19 -7.980 -7.895 5.512 145 2HG GLN 19 HG1 GLN 19 -8.156 -7.143 7.097 146 1HE2 GLN 19 HE21 GLN 19 -8.844 -6.147 4.429 147 2HE2 GLN 19 HE22 GLN 19 -8.009 -4.655 4.253 148 H LEU 20 HN LEU 20 -5.245 -5.086 7.533 149 HA LEU 20 HA LEU 20 -2.456 -5.508 7.048 150 1HB LEU 20 HB2 LEU 20 -4.159 -3.039 7.069 151 2HB LEU 20 HB1 LEU 20 -2.444 -3.019 6.699 152 HG LEU 20 HG LEU 20 -4.130 -4.909 5.179 153 1HD1 LEU 20 HD11 LEU 20 -4.638 -2.048 5.251 154 2HD1 LEU 20 HD12 LEU 20 -5.584 -3.350 4.525 155 3HD1 LEU 20 HD13 LEU 20 -4.240 -2.629 3.633 156 1HD2 LEU 20 HD21 LEU 20 -1.711 -3.213 4.678 157 2HD2 LEU 20 HD22 LEU 20 -2.593 -3.973 3.354 158 3HD2 LEU 20 HD23 LEU 20 -1.870 -4.968 4.616 159 H LYS 21 HN LYS 21 -4.189 -3.483 9.431 160 HA LYS 21 HA LYS 21 -1.900 -2.613 10.759 161 1HB LYS 21 HB2 LYS 21 -4.741 -2.976 11.681 162 2HB LYS 21 HB1 LYS 21 -3.493 -2.396 12.769 163 1HG LYS 21 HG2 LYS 21 -3.507 -0.959 10.244 164 2HG LYS 21 HG1 LYS 21 -5.070 -0.869 11.087 165 1HD LYS 21 HD2 LYS 21 -3.561 0.978 11.711 166 2HD LYS 21 HD1 LYS 21 -3.964 -0.045 13.090 167 1HE LYS 21 HE2 LYS 21 -1.666 -1.187 12.025 168 2HE LYS 21 HE1 LYS 21 -1.384 0.551 11.911 169 1HZ LYS 21 HZ1 LYS 21 -1.895 0.748 14.268 170 2HZ LYS 21 HZ2 LYS 21 -0.613 -0.328 14.022 171 3HZ LYS 21 HZ3 LYS 21 -2.157 -0.920 14.375 172 H GLN 22 HN GLN 22 -3.633 -5.614 10.944 173 HA GLN 22 HA GLN 22 -2.177 -6.466 13.279 174 1HB GLN 22 HB2 GLN 22 -3.597 -8.288 13.412 175 2HB GLN 22 HB1 GLN 22 -4.624 -7.076 12.662 176 1HG GLN 22 HG2 GLN 22 -4.104 -8.073 10.444 177 2HG GLN 22 HG1 GLN 22 -3.208 -9.344 11.279 178 1HE2 GLN 22 HE21 GLN 22 -4.778 -9.930 13.395 179 2HE2 GLN 22 HE22 GLN 22 -6.302 -10.546 12.865 180 H ALA 23 HN ALA 23 -2.365 -7.521 9.875 181 HA ALA 23 HA ALA 23 -0.123 -9.319 10.269 182 1HB ALA 23 HB1 ALA 23 -1.974 -10.123 8.960 183 2HB ALA 23 HB2 ALA 23 -0.540 -10.000 7.942 184 3HB ALA 23 HB3 ALA 23 -1.805 -8.777 7.833 185 H SER 24 HN SER 24 -0.812 -6.725 7.878 186 HA SER 24 HA SER 24 1.725 -6.599 6.767 187 1HB SER 24 HB2 SER 24 -0.595 -4.827 6.899 188 2HB SER 24 HB1 SER 24 0.924 -3.942 6.785 189 HG SER 24 HG SER 24 1.265 -4.737 4.836 190 H ASP 25 HN ASP 25 0.682 -5.501 9.889 191 HA ASP 25 HA ASP 25 2.803 -3.675 10.383 192 1HB ASP 25 HB2 ASP 25 0.493 -4.041 11.612 193 2HB ASP 25 HB1 ASP 25 1.453 -5.120 12.619 194 H GLY 26 HN GLY 26 2.989 -6.840 9.832 195 1HA GLY 26 HA2 GLY 26 4.854 -7.566 11.933 196 2HA GLY 26 HA1 GLY 26 4.322 -8.592 10.611 197 H LEU 27 HN LEU 27 4.968 -6.441 8.640 198 HA LEU 27 HA LEU 27 7.866 -6.902 8.572 199 1HB LEU 27 HB2 LEU 27 7.305 -6.105 6.076 200 2HB LEU 27 HB1 LEU 27 7.243 -7.779 6.583 201 HG LEU 27 HG LEU 27 4.771 -6.103 6.756 202 1HD1 LEU 27 HD11 LEU 27 6.016 -6.021 4.440 203 2HD1 LEU 27 HD12 LEU 27 4.269 -6.250 4.531 204 3HD1 LEU 27 HD13 LEU 27 5.329 -7.635 4.270 205 1HD2 LEU 27 HD21 LEU 27 3.649 -8.161 6.604 206 2HD2 LEU 27 HD22 LEU 27 5.014 -8.465 7.679 207 3HD2 LEU 27 HD23 LEU 27 5.081 -8.992 5.998 208 H LEU 28 HN LEU 28 8.022 -5.068 10.086 209 HA LEU 28 HA LEU 28 7.202 -2.472 9.421 210 1HB LEU 28 HB2 LEU 28 8.665 -3.717 11.510 211 2HB LEU 28 HB1 LEU 28 9.617 -2.352 10.939 212 HG LEU 28 HG LEU 28 6.943 -1.446 11.205 213 1HD1 LEU 28 HD11 LEU 28 6.700 -1.819 13.683 214 2HD1 LEU 28 HD12 LEU 28 7.907 -3.096 13.525 215 3HD1 LEU 28 HD13 LEU 28 6.375 -3.220 12.662 216 1HD2 LEU 28 HD21 LEU 28 9.327 -0.398 11.556 217 2HD2 LEU 28 HD22 LEU 28 9.039 -0.863 13.233 218 3HD2 LEU 28 HD23 LEU 28 7.922 0.230 12.417 219 H PHE 29 HN PHE 29 7.956 -0.983 8.113 220 HA PHE 29 HA PHE 29 10.464 -1.489 6.678 221 1HB PHE 29 HB2 PHE 29 7.913 -0.516 5.852 222 2HB PHE 29 HB1 PHE 29 9.067 0.801 5.667 223 HD1 PHE 29 HD1 PHE 29 8.931 -2.876 5.010 224 HD2 PHE 29 HD2 PHE 29 10.067 0.983 3.622 225 HE1 PHE 29 HE1 PHE 29 9.733 -3.874 2.906 226 HE2 PHE 29 HE2 PHE 29 10.869 -0.007 1.517 227 HZ PHE 29 HZ PHE 29 10.701 -2.436 1.158 228 H MET 30 HN MET 30 12.008 -0.750 8.009 229 HA MET 30 HA MET 30 11.684 1.919 9.180 230 1HB MET 30 HB2 MET 30 13.958 0.187 9.957 231 2HB MET 30 HB1 MET 30 12.944 1.236 10.933 232 1HG MET 30 HG2 MET 30 11.405 -0.378 11.329 233 2HG MET 30 HG1 MET 30 11.703 -1.197 9.799 234 1HE MET 30 HE1 MET 30 13.788 -1.003 13.617 235 2HE MET 30 HE2 MET 30 13.969 0.188 12.328 236 3HE MET 30 HE3 MET 30 15.184 -1.075 12.541 237 H SER 31 HN SER 31 12.320 3.377 7.803 238 HA SER 31 HA SER 31 14.966 3.131 6.532 239 1HB SER 31 HB2 SER 31 12.458 3.929 5.506 240 2HB SER 31 HB1 SER 31 13.427 5.389 5.620 241 HG SER 31 HG SER 31 13.646 3.303 3.891 242 H GLU 32 HN GLU 32 13.170 6.099 6.986 243 HA GLU 32 HA GLU 32 15.345 7.434 8.233 244 1HB GLU 32 HB2 GLU 32 13.901 9.297 8.462 245 2HB GLU 32 HB1 GLU 32 13.366 8.502 6.988 246 1HG GLU 32 HG2 GLU 32 11.327 8.270 7.797 247 2HG GLU 32 HG1 GLU 32 11.939 7.432 9.222 248 H SER 33 HN SER 33 12.758 5.463 9.235 249 HA SER 33 HA SER 33 13.777 4.968 11.809 250 1HB SER 33 HB2 SER 33 12.299 7.348 11.631 251 2HB SER 33 HB1 SER 33 11.202 6.174 12.359 252 HG SER 33 HG SER 33 13.829 6.321 13.313 253 H GLU 34 HN GLU 34 12.316 3.514 13.035 254 HA GLU 34 HA GLU 34 11.125 1.619 11.308 255 1HB GLU 34 HB2 GLU 34 10.889 0.262 13.178 256 2HB GLU 34 HB1 GLU 34 12.247 1.279 13.622 257 1HG GLU 34 HG2 GLU 34 9.433 1.908 14.451 258 2HG GLU 34 HG1 GLU 34 10.489 0.853 15.391 259 H TYR 35 HN TYR 35 9.164 1.614 10.458 260 HA TYR 35 HA TYR 35 6.921 2.734 11.944 261 1HB TYR 35 HB2 TYR 35 7.747 3.644 9.185 262 2HB TYR 35 HB1 TYR 35 6.160 3.948 9.873 263 HD1 TYR 35 HD1 TYR 35 9.320 5.329 9.357 264 HD2 TYR 35 HD2 TYR 35 6.259 5.062 12.297 265 HE1 TYR 35 HE1 TYR 35 10.180 7.370 10.430 266 HE2 TYR 35 HE2 TYR 35 7.103 7.096 13.378 267 HH TYR 35 HH TYR 35 9.850 8.892 12.019 268 HA PRO 36 HA PRO 36 5.230 -0.900 9.899 269 1HB PRO 36 HB2 PRO 36 3.070 -0.920 11.739 270 2HB PRO 36 HB1 PRO 36 4.546 -1.880 11.830 271 1HG PRO 36 HG2 PRO 36 3.804 0.132 13.616 272 2HG PRO 36 HG1 PRO 36 5.433 -0.544 13.438 273 1HD PRO 36 HD2 PRO 36 4.294 1.984 12.321 274 2HD PRO 36 HD1 PRO 36 5.931 1.651 12.930 275 H PHE 37 HN PHE 37 3.491 -1.314 8.607 276 HA PHE 37 HA PHE 37 2.339 0.870 7.330 277 1HB PHE 37 HB2 PHE 37 1.335 -1.966 7.193 278 2HB PHE 37 HB1 PHE 37 1.258 -0.724 5.939 279 HD1 PHE 37 HD1 PHE 37 3.989 0.398 6.073 280 HD2 PHE 37 HD2 PHE 37 2.630 -3.627 6.259 281 HE1 PHE 37 HE1 PHE 37 6.133 -0.374 5.145 282 HE2 PHE 37 HE2 PHE 37 4.759 -4.405 5.344 283 HZ PHE 37 HZ PHE 37 6.629 -2.663 4.933 284 H GLU 38 HN GLU 38 0.885 2.161 7.960 285 HA GLU 38 HA GLU 38 -1.273 1.279 9.765 286 1HB GLU 38 HB2 GLU 38 0.403 3.384 10.084 287 2HB GLU 38 HB1 GLU 38 -0.905 4.163 9.204 288 1HG GLU 38 HG2 GLU 38 -2.293 2.786 11.079 289 2HG GLU 38 HG1 GLU 38 -0.810 3.160 11.957 290 H VAL 39 HN VAL 39 -3.203 0.980 8.917 291 HA VAL 39 HA VAL 39 -3.688 1.657 6.191 292 HB VAL 39 HB VAL 39 -5.386 0.206 6.229 293 1HG1 VAL 39 HG11 VAL 39 -4.949 -1.607 7.577 294 2HG1 VAL 39 HG12 VAL 39 -4.580 -0.611 8.981 295 3HG1 VAL 39 HG13 VAL 39 -3.424 -0.725 7.655 296 1HG2 VAL 39 HG21 VAL 39 -6.171 1.285 8.931 297 2HG2 VAL 39 HG22 VAL 39 -7.033 0.005 8.078 298 3HG2 VAL 39 HG23 VAL 39 -6.937 1.620 7.377 299 H PHE 40 HN PHE 40 -5.387 2.903 5.337 300 HA PHE 40 HA PHE 40 -6.936 4.603 6.995 301 1HB PHE 40 HB2 PHE 40 -5.996 6.759 6.354 302 2HB PHE 40 HB1 PHE 40 -4.815 5.780 7.211 303 HD1 PHE 40 HD1 PHE 40 -3.874 4.019 4.995 304 HD2 PHE 40 HD2 PHE 40 -4.706 8.186 5.095 305 HE1 PHE 40 HE1 PHE 40 -2.252 4.379 3.183 306 HE2 PHE 40 HE2 PHE 40 -3.086 8.558 3.279 307 HZ PHE 40 HZ PHE 40 -1.858 6.650 2.322 308 H LEU 41 HN LEU 41 -8.709 5.349 5.994 309 HA LEU 41 HA LEU 41 -9.070 4.672 3.169 310 1HB LEU 41 HB2 LEU 41 -10.798 3.772 4.443 311 2HB LEU 41 HB1 LEU 41 -10.890 5.171 5.493 312 HG LEU 41 HG LEU 41 -11.656 5.565 2.642 313 1HD1 LEU 41 HD11 LEU 41 -12.646 3.351 3.557 314 2HD1 LEU 41 HD12 LEU 41 -13.717 4.517 2.778 315 3HD1 LEU 41 HD13 LEU 41 -13.663 4.406 4.538 316 1HD2 LEU 41 HD21 LEU 41 -12.866 6.512 5.245 317 2HD2 LEU 41 HD22 LEU 41 -13.283 7.070 3.625 318 3HD2 LEU 41 HD23 LEU 41 -11.684 7.406 4.289 319 H TRP 42 HN TRP 42 -9.891 6.146 1.610 320 HA TRP 42 HA TRP 42 -9.797 8.974 2.414 321 1HB TRP 42 HB2 TRP 42 -8.551 7.612 0.064 322 2HB TRP 42 HB1 TRP 42 -9.086 9.282 -0.093 323 HD1 TRP 42 HD1 TRP 42 -7.306 7.683 2.958 324 HE1 TRP 42 HE1 TRP 42 -5.164 9.042 3.398 325 HE3 TRP 42 HE3 TRP 42 -7.549 10.876 -1.007 326 HZ2 TRP 42 HZ2 TRP 42 -3.762 11.186 2.216 327 HZ3 TRP 42 HZ3 TRP 42 -5.777 12.541 -1.286 328 HH2 TRP 42 HH2 TRP 42 -3.921 12.702 0.289 329 H GLU 43 HN GLU 43 -11.171 10.416 1.282 330 HA GLU 43 HA GLU 43 -13.679 9.181 0.486 331 1HB GLU 43 HB2 GLU 43 -13.317 12.134 0.655 332 2HB GLU 43 HB1 GLU 43 -14.704 11.144 1.097 333 1HG GLU 43 HG2 GLU 43 -12.516 10.398 2.742 334 2HG GLU 43 HG1 GLU 43 -12.657 12.159 2.765 335 H GLY 44 HN GLY 44 -11.884 12.024 -0.846 336 1HA GLY 44 HA2 GLY 44 -13.161 12.138 -3.312 337 2HA GLY 44 HA1 GLY 44 -11.481 12.613 -3.059 338 H SER 45 HN SER 45 -11.147 9.850 -2.023 339 HA SER 45 HA SER 45 -9.844 8.583 -4.102 340 1HB SER 45 HB2 SER 45 -9.301 7.148 -2.460 341 2HB SER 45 HB1 SER 45 -10.112 8.313 -1.418 342 HG SER 45 HG SER 45 -11.998 7.092 -1.586 343 H ALA 46 HN ALA 46 -10.479 6.010 -4.306 344 HA ALA 46 HA ALA 46 -12.010 4.407 -5.050 345 1HB ALA 46 HB1 ALA 46 -14.259 4.788 -5.110 346 2HB ALA 46 HB2 ALA 46 -14.078 6.314 -5.973 347 3HB ALA 46 HB3 ALA 46 -13.862 6.262 -4.226 348 HA PRO 47 HA PRO 47 -10.957 4.855 -9.392 349 1HB PRO 47 HB2 PRO 47 -13.452 5.252 -10.705 350 2HB PRO 47 HB1 PRO 47 -12.546 3.743 -10.588 351 1HG PRO 47 HG2 PRO 47 -14.862 4.683 -8.997 352 2HG PRO 47 HG1 PRO 47 -14.358 3.030 -9.387 353 1HD PRO 47 HD2 PRO 47 -14.045 4.076 -6.923 354 2HD PRO 47 HD1 PRO 47 -12.871 2.934 -7.613 355 HA PRO 48 HA PRO 48 -11.569 9.356 -9.291 356 1HB PRO 48 HB2 PRO 48 -9.162 10.063 -8.551 357 2HB PRO 48 HB1 PRO 48 -10.076 9.020 -7.478 358 1HG PRO 48 HG2 PRO 48 -7.875 8.294 -9.357 359 2HG PRO 48 HG1 PRO 48 -8.183 7.725 -7.712 360 1HD PRO 48 HD2 PRO 48 -9.015 6.474 -10.136 361 2HD PRO 48 HD1 PRO 48 -9.470 6.012 -8.482 362 H VAL 49 HN VAL 49 -9.017 10.710 -10.142 363 HA VAL 49 HA VAL 49 -9.577 10.822 -12.934 364 HB VAL 49 HB VAL 49 -7.447 12.070 -11.212 365 1HG1 VAL 49 HG11 VAL 49 -7.771 12.129 -14.188 366 2HG1 VAL 49 HG12 VAL 49 -6.310 11.902 -13.230 367 3HG1 VAL 49 HG13 VAL 49 -7.058 13.495 -13.333 368 1HG2 VAL 49 HG21 VAL 49 -8.695 14.008 -11.290 369 2HG2 VAL 49 HG22 VAL 49 -9.965 12.784 -11.280 370 3HG2 VAL 49 HG23 VAL 49 -9.500 13.559 -12.794 371 H THR 50 HN THR 50 -6.841 9.769 -11.014 372 HA THR 50 HA THR 50 -6.214 7.607 -12.791 373 HB THR 50 HB THR 50 -3.904 9.462 -12.447 374 HG1 THR 50 HG1 THR 50 -5.203 9.878 -14.816 375 1HG2 THR 50 HG21 THR 50 -3.092 8.414 -14.397 376 2HG2 THR 50 HG22 THR 50 -4.692 7.817 -14.839 377 3HG2 THR 50 HG23 THR 50 -3.841 7.122 -13.459 378 H HIS 51 HN HIS 51 -4.265 6.375 -11.949 379 HA HIS 51 HA HIS 51 -4.504 6.102 -9.126 380 1HB HIS 51 HB2 HIS 51 -2.293 4.939 -10.823 381 2HB HIS 51 HB1 HIS 51 -2.943 4.308 -9.313 382 HD1 HIS 51 HD1 HIS 51 -3.507 4.338 -12.977 383 HD2 HIS 51 HD2 HIS 51 -5.439 2.975 -9.561 384 HE1 HIS 51 HE1 HIS 51 -5.291 2.766 -13.796 385 HE2 HIS 51 HE2 HIS 51 -6.402 1.899 -11.705 386 H GLU 52 HN GLU 52 -4.011 8.217 -8.422 387 HA GLU 52 HA GLU 52 -1.627 8.669 -7.214 388 1HB GLU 52 HB2 GLU 52 -0.485 10.347 -8.654 389 2HB GLU 52 HB1 GLU 52 -0.479 8.731 -9.349 390 1HG GLU 52 HG2 GLU 52 -2.605 9.550 -10.599 391 2HG GLU 52 HG1 GLU 52 -1.992 11.155 -10.206 392 H ILE 53 HN ILE 53 -4.633 9.529 -8.185 393 HA ILE 53 HA ILE 53 -4.848 12.280 -7.925 394 HB ILE 53 HB ILE 53 -6.595 10.096 -8.093 395 1HG1 ILE 53 HG12 ILE 53 -6.765 12.085 -9.464 396 2HG1 ILE 53 HG11 ILE 53 -8.290 11.845 -8.616 397 1HG2 ILE 53 HG21 ILE 53 -8.278 10.345 -6.491 398 2HG2 ILE 53 HG22 ILE 53 -7.617 11.874 -5.911 399 3HG2 ILE 53 HG23 ILE 53 -6.770 10.364 -5.575 400 1HD1 ILE 53 HD11 ILE 53 -7.191 14.208 -8.768 401 2HD1 ILE 53 HD12 ILE 53 -6.239 13.620 -7.404 402 3HD1 ILE 53 HD13 ILE 53 -7.998 13.681 -7.289 403 H VAL 54 HN VAL 54 -4.611 9.831 -5.459 404 HA VAL 54 HA VAL 54 -5.392 11.244 -3.218 405 HB VAL 54 HB VAL 54 -3.593 8.958 -3.758 406 1HG1 VAL 54 HG11 VAL 54 -3.147 8.849 -1.228 407 2HG1 VAL 54 HG12 VAL 54 -3.440 10.588 -1.262 408 3HG1 VAL 54 HG13 VAL 54 -2.139 9.894 -2.229 409 1HG2 VAL 54 HG21 VAL 54 -5.073 7.824 -2.220 410 2HG2 VAL 54 HG22 VAL 54 -6.014 8.710 -3.419 411 3HG2 VAL 54 HG23 VAL 54 -5.834 9.353 -1.787 412 H LEU 55 HN LEU 55 -2.438 11.349 -5.050 413 HA LEU 55 HA LEU 55 -0.745 12.688 -3.293 414 1HB LEU 55 HB2 LEU 55 -0.925 12.754 -6.300 415 2HB LEU 55 HB1 LEU 55 0.401 13.459 -5.399 416 HG LEU 55 HG LEU 55 -0.349 10.530 -5.309 417 1HD1 LEU 55 HD11 LEU 55 0.776 11.848 -7.442 418 2HD1 LEU 55 HD12 LEU 55 0.911 10.123 -7.099 419 3HD1 LEU 55 HD13 LEU 55 2.178 11.229 -6.566 420 1HD2 LEU 55 HD21 LEU 55 2.245 11.781 -4.450 421 2HD2 LEU 55 HD22 LEU 55 1.623 10.173 -4.088 422 3HD2 LEU 55 HD23 LEU 55 0.888 11.591 -3.342 423 H GLN 56 HN GLN 56 -2.679 14.114 -5.919 424 HA GLN 56 HA GLN 56 -2.127 16.785 -5.450 425 1HB GLN 56 HB2 GLN 56 -4.868 16.619 -6.190 426 2HB GLN 56 HB1 GLN 56 -3.487 17.034 -7.192 427 1HG GLN 56 HG2 GLN 56 -4.284 14.202 -6.629 428 2HG GLN 56 HG1 GLN 56 -4.937 15.123 -7.976 429 1HE2 GLN 56 HE21 GLN 56 -3.613 12.823 -8.425 430 2HE2 GLN 56 HE22 GLN 56 -2.084 13.143 -9.145 431 H GLN 57 HN GLN 57 -3.979 14.676 -3.518 432 HA GLN 57 HA GLN 57 -5.327 16.925 -2.214 433 1HB GLN 57 HB2 GLN 57 -6.019 14.468 -0.968 434 2HB GLN 57 HB1 GLN 57 -7.022 15.533 -1.941 435 1HG GLN 57 HG2 GLN 57 -5.755 14.306 -3.918 436 2HG GLN 57 HG1 GLN 57 -5.607 13.045 -2.697 437 1HE2 GLN 57 HE21 GLN 57 -6.959 11.607 -3.625 438 2HE2 GLN 57 HE22 GLN 57 -8.663 11.857 -3.792 439 H THR 58 HN THR 58 -2.563 14.978 -1.740 440 HA THR 58 HA THR 58 -2.512 15.739 1.110 441 HB THR 58 HB THR 58 -0.445 13.871 0.627 442 HG1 THR 58 HG1 THR 58 -1.560 13.117 -1.180 443 1HG2 THR 58 HG21 THR 58 -2.375 12.500 1.990 444 2HG2 THR 58 HG22 THR 58 -2.836 14.175 2.293 445 3HG2 THR 58 HG23 THR 58 -1.219 13.613 2.721 446 H GLY 59 HN GLY 59 0.086 14.794 -1.131 447 1HA GLY 59 HA2 GLY 59 1.451 17.331 -0.437 448 2HA GLY 59 HA1 GLY 59 2.302 15.802 -0.611 449 H HIS 60 HN HIS 60 0.411 15.211 -2.885 450 HA HIS 60 HA HIS 60 0.199 15.504 -5.135 451 1HB HIS 60 HB2 HIS 60 1.815 18.008 -4.730 452 2HB HIS 60 HB1 HIS 60 1.106 17.498 -6.257 453 HD1 HIS 60 HD1 HIS 60 -0.876 18.874 -6.733 454 HD2 HIS 60 HD2 HIS 60 -0.501 18.115 -2.665 455 HE1 HIS 60 HE1 HIS 60 -2.802 20.071 -5.648 456 HE2 HIS 60 HE2 HIS 60 -2.518 19.650 -3.179 457 H GLY 61 HN GLY 61 1.532 13.601 -5.487 458 1HA GLY 61 HA2 GLY 61 4.347 13.827 -5.736 459 2HA GLY 61 HA1 GLY 61 3.339 12.558 -6.442 460 H GLN 62 HN GLN 62 4.352 12.635 -8.474 461 HA GLN 62 HA GLN 62 4.927 13.463 -10.548 462 1HB GLN 62 HB2 GLN 62 2.512 15.059 -10.872 463 2HB GLN 62 HB1 GLN 62 3.025 13.616 -11.733 464 1HG GLN 62 HG2 GLN 62 1.216 12.699 -10.782 465 2HG GLN 62 HG1 GLN 62 2.264 12.538 -9.374 466 1HE2 GLN 62 HE21 GLN 62 -0.062 12.491 -8.495 467 2HE2 GLN 62 HE22 GLN 62 -0.678 14.012 -7.955 468 H ASP 63 HN ASP 63 5.547 15.208 -8.180 469 HA ASP 63 HA ASP 63 6.411 17.520 -9.652 470 1HB ASP 63 HB2 ASP 63 3.919 17.754 -8.549 471 2HB ASP 63 HB1 ASP 63 4.933 18.358 -7.242 472 H ALA 64 HN ALA 64 5.751 16.537 -6.278 473 HA ALA 64 HA ALA 64 8.155 17.623 -5.184 474 1HB ALA 64 HB1 ALA 64 7.015 17.149 -3.329 475 2HB ALA 64 HB2 ALA 64 7.244 15.427 -3.632 476 3HB ALA 64 HB3 ALA 64 5.827 16.254 -4.278 477 HA PRO 65 HA PRO 65 11.131 14.283 -5.880 478 1HB PRO 65 HB2 PRO 65 11.883 13.312 -3.466 479 2HB PRO 65 HB1 PRO 65 12.394 14.914 -4.029 480 1HG PRO 65 HG2 PRO 65 10.167 14.167 -2.179 481 2HG PRO 65 HG1 PRO 65 11.362 15.461 -2.019 482 1HD PRO 65 HD2 PRO 65 8.856 15.933 -2.869 483 2HD PRO 65 HD1 PRO 65 10.246 16.851 -3.482 484 H PHE 66 HN PHE 66 8.335 13.702 -5.731 485 HA PHE 66 HA PHE 66 7.671 11.437 -4.345 486 1HB PHE 66 HB2 PHE 66 5.645 11.849 -5.186 487 2HB PHE 66 HB1 PHE 66 6.379 13.272 -5.910 488 HD1 PHE 66 HD1 PHE 66 7.511 12.870 -8.248 489 HD2 PHE 66 HD2 PHE 66 4.515 10.366 -6.549 490 HE1 PHE 66 HE1 PHE 66 6.929 12.046 -10.494 491 HE2 PHE 66 HE2 PHE 66 3.932 9.538 -8.789 492 HZ PHE 66 HZ PHE 66 5.181 10.324 -10.756 493 H LYS 67 HN LYS 67 6.671 9.615 -5.396 494 HA LYS 67 HA LYS 67 7.579 8.418 -7.732 495 1HB LYS 67 HB2 LYS 67 9.240 7.995 -5.332 496 2HB LYS 67 HB1 LYS 67 8.680 6.500 -6.069 497 1HG LYS 67 HG2 LYS 67 9.552 7.521 -8.268 498 2HG LYS 67 HG1 LYS 67 10.443 8.622 -7.216 499 1HD LYS 67 HD2 LYS 67 11.593 6.804 -6.171 500 2HD LYS 67 HD1 LYS 67 10.569 5.620 -6.987 501 1HE LYS 67 HE2 LYS 67 11.573 6.005 -9.058 502 2HE LYS 67 HE1 LYS 67 12.245 7.553 -8.547 503 1HZ LYS 67 HZ1 LYS 67 13.874 6.490 -7.263 504 2HZ LYS 67 HZ2 LYS 67 13.846 5.630 -8.719 505 3HZ LYS 67 HZ3 LYS 67 13.101 4.988 -7.344 506 H VAL 68 HN VAL 68 5.693 7.439 -8.164 507 HA VAL 68 HA VAL 68 4.011 6.609 -5.956 508 HB VAL 68 HB VAL 68 2.845 7.763 -7.657 509 1HG1 VAL 68 HG11 VAL 68 3.608 7.811 -9.738 510 2HG1 VAL 68 HG12 VAL 68 3.013 6.168 -9.970 511 3HG1 VAL 68 HG13 VAL 68 4.665 6.436 -9.416 512 1HG2 VAL 68 HG21 VAL 68 1.149 6.200 -8.347 513 2HG2 VAL 68 HG22 VAL 68 1.700 5.770 -6.727 514 3HG2 VAL 68 HG23 VAL 68 2.254 4.843 -8.122 515 H VAL 69 HN VAL 69 4.489 4.718 -5.081 516 HA VAL 69 HA VAL 69 5.292 2.464 -6.776 517 HB VAL 69 HB VAL 69 5.255 1.640 -4.080 518 1HG1 VAL 69 HG11 VAL 69 6.889 1.402 -6.198 519 2HG1 VAL 69 HG12 VAL 69 7.368 0.992 -4.551 520 3HG1 VAL 69 HG13 VAL 69 7.810 2.557 -5.234 521 1HG2 VAL 69 HG21 VAL 69 6.041 4.491 -4.384 522 2HG2 VAL 69 HG22 VAL 69 7.041 3.469 -3.352 523 3HG2 VAL 69 HG23 VAL 69 5.325 3.656 -3.006 524 H ASP 70 HN ASP 70 4.362 0.297 -5.452 525 HA ASP 70 HA ASP 70 1.454 0.716 -5.258 526 1HB ASP 70 HB2 ASP 70 2.683 -0.492 -7.428 527 2HB ASP 70 HB1 ASP 70 2.110 -1.847 -6.465 528 H ILE 71 HN ILE 71 0.273 -0.848 -4.082 529 HA ILE 71 HA ILE 71 1.174 -1.612 -1.625 530 HB ILE 71 HB ILE 71 -1.145 -1.696 -2.302 531 1HG1 ILE 71 HG12 ILE 71 -1.854 -3.377 -0.917 532 2HG1 ILE 71 HG11 ILE 71 -0.761 -4.593 -1.593 533 1HG2 ILE 71 HG21 ILE 71 -1.625 -2.549 -4.275 534 2HG2 ILE 71 HG22 ILE 71 -1.511 -4.144 -3.534 535 3HG2 ILE 71 HG23 ILE 71 -0.106 -3.441 -4.332 536 1HD1 ILE 71 HD11 ILE 71 -0.535 -3.187 0.830 537 2HD1 ILE 71 HD12 ILE 71 0.724 -2.531 -0.214 538 3HD1 ILE 71 HD13 ILE 71 0.653 -4.265 0.098 539 H ASP 72 HN ASP 72 1.373 -3.400 -4.635 540 HA ASP 72 HA ASP 72 2.747 -5.610 -3.370 541 1HB ASP 72 HB2 ASP 72 1.150 -6.099 -5.145 542 2HB ASP 72 HB1 ASP 72 2.047 -5.079 -6.264 543 H SER 73 HN SER 73 3.435 -2.795 -5.333 544 HA SER 73 HA SER 73 6.116 -3.561 -5.959 545 1HB SER 73 HB2 SER 73 5.432 -2.144 -7.582 546 2HB SER 73 HB1 SER 73 4.382 -1.235 -6.499 547 HG SER 73 HG SER 73 7.087 -0.897 -7.068 548 H PHE 74 HN PHE 74 4.911 -0.840 -3.815 549 HA PHE 74 HA PHE 74 7.524 -0.313 -2.877 550 1HB PHE 74 HB2 PHE 74 5.584 1.242 -2.571 551 2HB PHE 74 HB1 PHE 74 4.975 0.157 -1.323 552 HD1 PHE 74 HD1 PHE 74 7.855 2.291 -2.246 553 HD2 PHE 74 HD2 PHE 74 5.775 0.280 0.875 554 HE1 PHE 74 HE1 PHE 74 9.239 3.453 -0.578 555 HE2 PHE 74 HE2 PHE 74 7.158 1.436 2.548 556 HZ PHE 74 HZ PHE 74 8.956 2.940 1.827 557 H PHE 75 HN PHE 75 5.215 -2.733 -2.073 558 HA PHE 75 HA PHE 75 6.807 -3.557 0.239 559 1HB PHE 75 HB2 PHE 75 4.085 -4.560 -0.616 560 2HB PHE 75 HB1 PHE 75 4.923 -4.945 0.887 561 HD1 PHE 75 HD1 PHE 75 3.513 -2.081 -1.039 562 HD2 PHE 75 HD2 PHE 75 4.626 -3.632 2.763 563 HE1 PHE 75 HE1 PHE 75 2.458 -0.128 0.050 564 HE2 PHE 75 HE2 PHE 75 3.594 -1.711 3.869 565 HZ PHE 75 HZ PHE 75 2.566 0.128 2.439 566 H SER 76 HN SER 76 6.887 -3.936 -2.898 567 HA SER 76 HA SER 76 7.127 -6.773 -3.242 568 1HB SER 76 HB2 SER 76 6.773 -5.553 -5.272 569 2HB SER 76 HB1 SER 76 8.062 -4.411 -4.894 570 HG SER 76 HG SER 76 8.630 -6.041 -6.466 571 H ARG 77 HN ARG 77 9.328 -4.040 -2.922 572 HA ARG 77 HA ARG 77 11.747 -5.431 -2.752 573 1HB ARG 77 HB2 ARG 77 12.110 -3.365 -0.973 574 2HB ARG 77 HB1 ARG 77 12.330 -3.243 -2.713 575 1HG ARG 77 HG2 ARG 77 10.392 -2.080 -3.019 576 2HG ARG 77 HG1 ARG 77 9.606 -2.798 -1.611 577 1HD ARG 77 HD2 ARG 77 10.002 -0.573 -1.005 578 2HD ARG 77 HD1 ARG 77 11.283 -1.494 -0.216 579 HE ARG 77 HE ARG 77 12.839 -0.513 -1.624 580 1HH1 ARG 77 HH11 ARG 77 9.602 0.368 -2.571 581 2HH1 ARG 77 HH12 ARG 77 10.121 1.632 -3.635 582 1HH2 ARG 77 HH21 ARG 77 13.529 1.148 -3.022 583 2HH2 ARG 77 HH22 ARG 77 12.353 2.075 -3.892 584 H ALA 78 HN ALA 78 9.063 -5.211 -0.689 585 HA ALA 78 HA ALA 78 10.385 -6.153 1.688 586 1HB ALA 78 HB1 ALA 78 8.428 -5.748 2.796 587 2HB ALA 78 HB2 ALA 78 7.433 -6.254 1.428 588 3HB ALA 78 HB3 ALA 78 8.195 -4.661 1.426 589 H THR 79 HN THR 79 11.231 -8.100 1.182 590 HA THR 79 HA THR 79 10.973 -10.446 1.440 591 HB THR 79 HB THR 79 8.470 -10.316 -0.232 592 HG1 THR 79 HG1 THR 79 8.062 -10.917 2.382 593 1HG2 THR 79 HG21 THR 79 8.244 -12.532 1.252 594 2HG2 THR 79 HG22 THR 79 10.002 -12.431 1.164 595 3HG2 THR 79 HG23 THR 79 9.048 -12.513 -0.318 596 H THR 80 HN THR 80 11.165 -8.312 -1.109 597 HA THR 80 HA THR 80 11.438 -10.019 -3.326 598 HB THR 80 HB THR 80 11.281 -7.422 -3.243 599 HG1 THR 80 HG1 THR 80 11.535 -8.819 -5.148 600 1HG2 THR 80 HG21 THR 80 14.168 -7.315 -3.743 601 2HG2 THR 80 HG22 THR 80 13.737 -7.631 -2.062 602 3HG2 THR 80 HG23 THR 80 13.126 -6.189 -2.872 603 HA PRO 81 HA PRO 81 15.375 -11.942 -2.675 604 1HB PRO 81 HB2 PRO 81 15.501 -12.307 -5.572 605 2HB PRO 81 HB1 PRO 81 15.270 -13.519 -4.309 606 1HG PRO 81 HG2 PRO 81 13.268 -12.890 -5.963 607 2HG PRO 81 HG1 PRO 81 12.970 -13.201 -4.255 608 1HD PRO 81 HD2 PRO 81 13.298 -10.573 -5.609 609 2HD PRO 81 HD1 PRO 81 11.984 -11.107 -4.545 610 H GLN 82 HN GLN 82 17.177 -10.835 -2.260 611 HA GLN 82 HA GLN 82 18.035 -8.516 -3.516 612 1HB GLN 82 HB2 GLN 82 20.133 -10.412 -2.578 613 2HB GLN 82 HB1 GLN 82 19.961 -8.692 -2.272 614 1HG GLN 82 HG2 GLN 82 19.430 -9.386 -0.207 615 2HG GLN 82 HG1 GLN 82 17.832 -9.611 -0.919 616 1HE2 GLN 82 HE21 GLN 82 18.709 -11.888 -2.525 617 2HE2 GLN 82 HE22 GLN 82 18.854 -13.217 -1.431 618 H ASP 83 HN ASP 83 18.603 -11.891 -4.234 619 HA ASP 83 HA ASP 83 18.684 -11.803 -6.914 620 1HB ASP 83 HB2 ASP 83 20.970 -10.431 -6.016 621 2HB ASP 83 HB1 ASP 83 21.545 -11.999 -6.579 622 H TRP 84 HN TRP 84 20.015 -13.179 -4.017 623 HA TRP 84 HA TRP 84 20.473 -15.691 -5.440 624 1HB TRP 84 HB2 TRP 84 21.613 -16.265 -3.152 625 2HB TRP 84 HB1 TRP 84 22.434 -15.281 -4.355 626 HD1 TRP 84 HD1 TRP 84 20.515 -14.896 -1.025 627 HE1 TRP 84 HE1 TRP 84 21.294 -12.670 0.043 628 HE3 TRP 84 HE3 TRP 84 23.391 -13.190 -4.831 629 HZ2 TRP 84 HZ2 TRP 84 22.937 -10.456 -0.691 630 HZ3 TRP 84 HZ3 TRP 84 24.513 -11.055 -4.616 631 HH2 TRP 84 HH2 TRP 84 24.309 -9.688 -2.589 632 H TYR 85 HN TYR 85 18.306 -14.242 -3.229 633 HA TYR 85 HA TYR 85 17.392 -15.761 -1.357 634 1HB TYR 85 HB2 TYR 85 16.039 -14.259 -3.401 635 2HB TYR 85 HB1 TYR 85 15.045 -15.623 -2.903 636 HD1 TYR 85 HD1 TYR 85 17.433 -13.757 -0.760 637 HD2 TYR 85 HD2 TYR 85 13.348 -14.473 -1.704 638 HE1 TYR 85 HE1 TYR 85 16.758 -12.511 1.248 639 HE2 TYR 85 HE2 TYR 85 12.664 -13.227 0.303 640 HH TYR 85 HH TYR 85 14.433 -11.157 1.877 641 H GLU 86 HN GLU 86 15.597 -16.728 -4.186 642 HA GLU 86 HA GLU 86 16.715 -19.385 -4.167 643 1HB GLU 86 HB2 GLU 86 15.237 -20.211 -2.705 644 2HB GLU 86 HB1 GLU 86 14.239 -18.781 -2.769 645 1HG GLU 86 HG2 GLU 86 12.772 -20.230 -3.605 646 2HG GLU 86 HG1 GLU 86 13.612 -19.843 -5.104 647 H ASP 87 HN ASP 87 16.634 -20.235 -6.127 648 HA ASP 87 HA ASP 87 16.233 -18.755 -8.353 649 1HB ASP 87 HB2 ASP 87 16.256 -20.752 -9.656 650 2HB ASP 87 HB1 ASP 87 17.237 -21.080 -8.233 651 H GLU 88 HN GLU 88 13.795 -20.719 -6.731 652 HA GLU 88 HA GLU 88 11.753 -19.897 -8.583 653 1HB GLU 88 HB2 GLU 88 10.414 -21.498 -7.590 654 2HB GLU 88 HB1 GLU 88 12.011 -22.186 -7.404 655 1HG GLU 88 HG2 GLU 88 12.085 -21.736 -5.133 656 2HG GLU 88 HG1 GLU 88 10.805 -20.530 -5.232 657 H GLU 89 HN GLU 89 12.920 -18.988 -5.441 658 HA GLU 89 HA GLU 89 10.640 -17.627 -4.505 659 1HB GLU 89 HB2 GLU 89 13.450 -17.837 -3.721 660 2HB GLU 89 HB1 GLU 89 12.690 -16.320 -3.311 661 1HG GLU 89 HG2 GLU 89 10.837 -17.695 -2.257 662 2HG GLU 89 HG1 GLU 89 11.922 -19.075 -2.420 663 H ASN 90 HN ASN 90 13.039 -16.853 -6.848 664 HA ASN 90 HA ASN 90 13.047 -14.127 -6.580 665 1HB ASN 90 HB2 ASN 90 13.287 -15.955 -8.939 666 2HB ASN 90 HB1 ASN 90 13.031 -14.243 -9.263 667 1HD2 ASN 90 HD21 ASN 90 14.808 -15.604 -6.557 668 2HD2 ASN 90 HD22 ASN 90 16.352 -14.982 -7.018 669 H ALA 91 HN ALA 91 10.922 -16.170 -8.480 670 HA ALA 91 HA ALA 91 8.857 -14.140 -8.618 671 1HB ALA 91 HB1 ALA 91 9.144 -16.879 -9.829 672 2HB ALA 91 HB2 ALA 91 9.174 -15.314 -10.645 673 3HB ALA 91 HB3 ALA 91 7.666 -15.922 -9.962 674 H VAL 92 HN VAL 92 9.706 -16.807 -6.576 675 HA VAL 92 HA VAL 92 6.966 -17.374 -5.793 676 HB VAL 92 HB VAL 92 9.639 -18.477 -4.928 677 1HG1 VAL 92 HG11 VAL 92 8.848 -18.327 -2.787 678 2HG1 VAL 92 HG12 VAL 92 8.107 -19.851 -3.274 679 3HG1 VAL 92 HG13 VAL 92 7.156 -18.367 -3.284 680 1HG2 VAL 92 HG21 VAL 92 7.973 -20.569 -5.188 681 2HG2 VAL 92 HG22 VAL 92 8.861 -19.866 -6.540 682 3HG2 VAL 92 HG23 VAL 92 7.175 -19.427 -6.268 683 H VAL 93 HN VAL 93 9.808 -15.836 -4.462 684 HA VAL 93 HA VAL 93 8.699 -15.111 -2.026 685 HB VAL 93 HB VAL 93 11.174 -14.828 -3.173 686 1HG1 VAL 93 HG11 VAL 93 9.939 -12.098 -2.874 687 2HG1 VAL 93 HG12 VAL 93 10.653 -12.807 -4.323 688 3HG1 VAL 93 HG13 VAL 93 11.675 -12.394 -2.947 689 1HG2 VAL 93 HG21 VAL 93 11.387 -13.321 -0.913 690 2HG2 VAL 93 HG22 VAL 93 11.354 -15.084 -0.953 691 3HG2 VAL 93 HG23 VAL 93 9.875 -14.181 -0.624 692 H ALA 94 HN ALA 94 8.652 -13.558 -5.224 693 HA ALA 94 HA ALA 94 7.418 -11.123 -4.396 694 1HB ALA 94 HB1 ALA 94 6.951 -12.423 -7.077 695 2HB ALA 94 HB2 ALA 94 8.508 -11.702 -6.668 696 3HB ALA 94 HB3 ALA 94 7.052 -10.708 -6.678 697 H LYS 95 HN LYS 95 6.239 -14.372 -5.115 698 HA LYS 95 HA LYS 95 3.513 -13.852 -5.368 699 1HB LYS 95 HB2 LYS 95 4.636 -16.192 -3.815 700 2HB LYS 95 HB1 LYS 95 3.081 -16.102 -4.623 701 1HG LYS 95 HG2 LYS 95 5.798 -16.283 -5.885 702 2HG LYS 95 HG1 LYS 95 4.503 -17.477 -5.926 703 1HD LYS 95 HD2 LYS 95 3.699 -14.869 -6.957 704 2HD LYS 95 HD1 LYS 95 5.032 -15.598 -7.857 705 1HE LYS 95 HE2 LYS 95 2.811 -16.199 -8.762 706 2HE LYS 95 HE1 LYS 95 3.744 -17.598 -8.237 707 1HZ LYS 95 HZ1 LYS 95 1.547 -16.293 -6.723 708 2HZ LYS 95 HZ2 LYS 95 2.469 -17.597 -6.166 709 3HZ LYS 95 HZ3 LYS 95 1.466 -17.787 -7.514 710 H PHE 96 HN PHE 96 5.622 -13.935 -2.564 711 HA PHE 96 HA PHE 96 3.584 -13.815 -0.605 712 1HB PHE 96 HB2 PHE 96 6.085 -14.323 -0.243 713 2HB PHE 96 HB1 PHE 96 6.310 -12.578 -0.261 714 HD1 PHE 96 HD1 PHE 96 4.430 -11.353 1.301 715 HD2 PHE 96 HD2 PHE 96 6.016 -15.266 1.848 716 HE1 PHE 96 HE1 PHE 96 3.856 -11.248 3.692 717 HE2 PHE 96 HE2 PHE 96 5.443 -15.167 4.238 718 HZ PHE 96 HZ PHE 96 4.371 -13.176 5.166 719 H GLN 97 HN GLN 97 5.747 -11.241 -1.774 720 HA GLN 97 HA GLN 97 4.557 -9.019 -0.715 721 1HB GLN 97 HB2 GLN 97 5.511 -9.254 -3.577 722 2HB GLN 97 HB1 GLN 97 5.549 -7.827 -2.579 723 1HG GLN 97 HG2 GLN 97 7.406 -8.475 -1.452 724 2HG GLN 97 HG1 GLN 97 7.033 -10.189 -1.623 725 1HE2 GLN 97 HE21 GLN 97 9.131 -10.608 -2.243 726 2HE2 GLN 97 HE22 GLN 97 9.693 -10.239 -3.827 727 H LYS 98 HN LYS 98 3.465 -11.090 -3.228 728 HA LYS 98 HA LYS 98 1.425 -9.431 -4.335 729 1HB LYS 98 HB2 LYS 98 2.348 -11.069 -5.748 730 2HB LYS 98 HB1 LYS 98 2.194 -12.326 -4.527 731 1HG LYS 98 HG2 LYS 98 0.177 -12.892 -5.260 732 2HG LYS 98 HG1 LYS 98 -0.379 -11.216 -5.233 733 1HD LYS 98 HD2 LYS 98 -0.461 -12.241 -7.485 734 2HD LYS 98 HD1 LYS 98 0.568 -10.811 -7.402 735 1HE LYS 98 HE2 LYS 98 2.136 -12.075 -8.392 736 2HE LYS 98 HE1 LYS 98 2.320 -12.860 -6.822 737 1HZ LYS 98 HZ1 LYS 98 1.971 -14.616 -8.260 738 2HZ LYS 98 HZ2 LYS 98 0.830 -13.788 -9.192 739 3HZ LYS 98 HZ3 LYS 98 0.414 -14.351 -7.653 740 H LEU 99 HN LEU 99 1.269 -12.463 -2.448 741 HA LEU 99 HA LEU 99 -1.478 -12.317 -1.955 742 1HB LEU 99 HB2 LEU 99 -0.888 -13.805 0.073 743 2HB LEU 99 HB1 LEU 99 -0.634 -14.427 -1.547 744 HG LEU 99 HG LEU 99 1.776 -13.278 -1.005 745 1HD1 LEU 99 HD11 LEU 99 0.866 -14.616 1.536 746 2HD1 LEU 99 HD12 LEU 99 1.041 -12.873 1.332 747 3HD1 LEU 99 HD13 LEU 99 2.452 -13.923 1.207 748 1HD2 LEU 99 HD21 LEU 99 2.142 -15.309 -1.845 749 2HD2 LEU 99 HD22 LEU 99 0.629 -15.936 -1.194 750 3HD2 LEU 99 HD23 LEU 99 2.074 -15.892 -0.182 751 H LEU 100 HN LEU 100 1.102 -10.537 -0.747 752 HA LEU 100 HA LEU 100 0.129 -9.876 1.818 753 1HB LEU 100 HB2 LEU 100 2.318 -9.248 1.583 754 2HB LEU 100 HB1 LEU 100 2.081 -8.802 -0.093 755 HG LEU 100 HG LEU 100 0.634 -6.944 1.409 756 1HD1 LEU 100 HD11 LEU 100 3.436 -6.853 2.394 757 2HD1 LEU 100 HD12 LEU 100 2.282 -7.903 3.216 758 3HD1 LEU 100 HD13 LEU 100 1.971 -6.170 3.097 759 1HD2 LEU 100 HD21 LEU 100 3.123 -6.904 -0.239 760 2HD2 LEU 100 HD22 LEU 100 2.570 -5.446 0.583 761 3HD2 LEU 100 HD23 LEU 100 1.531 -6.237 -0.602 762 H GLU 101 HN GLU 101 0.047 -7.958 -1.227 763 HA GLU 101 HA GLU 101 -1.657 -5.969 -0.310 764 1HB GLU 101 HB2 GLU 101 -2.102 -5.462 -2.560 765 2HB GLU 101 HB1 GLU 101 -0.449 -6.071 -2.513 766 1HG GLU 101 HG2 GLU 101 -1.587 -8.335 -3.122 767 2HG GLU 101 HG1 GLU 101 -2.904 -7.298 -3.667 768 H VAL 102 HN VAL 102 -2.289 -9.104 -1.526 769 HA VAL 102 HA VAL 102 -5.110 -8.799 -1.774 770 HB VAL 102 HB VAL 102 -3.055 -10.293 -2.795 771 1HG1 VAL 102 HG11 VAL 102 -4.993 -12.332 -1.716 772 2HG1 VAL 102 HG12 VAL 102 -3.593 -11.845 -0.761 773 3HG1 VAL 102 HG13 VAL 102 -3.367 -12.561 -2.356 774 1HG2 VAL 102 HG21 VAL 102 -5.129 -9.470 -3.900 775 2HG2 VAL 102 HG22 VAL 102 -6.013 -10.819 -3.187 776 3HG2 VAL 102 HG23 VAL 102 -4.710 -11.127 -4.335 777 H ILE 103 HN ILE 103 -2.983 -10.355 0.596 778 HA ILE 103 HA ILE 103 -5.344 -11.274 2.070 779 HB ILE 103 HB ILE 103 -2.746 -12.406 1.699 780 1HG1 ILE 103 HG12 ILE 103 -4.904 -13.548 3.443 781 2HG1 ILE 103 HG11 ILE 103 -5.156 -13.379 1.708 782 1HG2 ILE 103 HG21 ILE 103 -2.139 -13.011 3.959 783 2HG2 ILE 103 HG22 ILE 103 -3.491 -12.077 4.602 784 3HG2 ILE 103 HG23 ILE 103 -2.153 -11.256 3.799 785 1HD1 ILE 103 HD11 ILE 103 -2.628 -14.649 2.346 786 2HD1 ILE 103 HD12 ILE 103 -3.920 -15.168 1.263 787 3HD1 ILE 103 HD13 ILE 103 -4.018 -15.524 2.987 788 H LYS 104 HN LYS 104 -2.773 -8.999 2.150 789 HA LYS 104 HA LYS 104 -3.151 -8.302 4.933 790 1HB LYS 104 HB2 LYS 104 -1.389 -7.227 2.753 791 2HB LYS 104 HB1 LYS 104 -1.640 -6.308 4.226 792 1HG LYS 104 HG2 LYS 104 0.414 -7.726 4.160 793 2HG LYS 104 HG1 LYS 104 -0.638 -7.980 5.553 794 1HD LYS 104 HD2 LYS 104 -1.565 -9.966 4.530 795 2HD LYS 104 HD1 LYS 104 -0.623 -9.676 3.069 796 1HE LYS 104 HE2 LYS 104 1.239 -10.567 3.948 797 2HE LYS 104 HE1 LYS 104 1.003 -9.752 5.495 798 1HZ LYS 104 HZ1 LYS 104 -0.682 -11.468 6.023 799 2HZ LYS 104 HZ2 LYS 104 0.876 -12.098 5.834 800 3HZ LYS 104 HZ3 LYS 104 -0.266 -12.285 4.600 801 H SER 105 HN SER 105 -3.405 -6.488 1.847 802 HA SER 105 HA SER 105 -5.058 -4.498 3.079 803 1HB SER 105 HB2 SER 105 -3.657 -4.818 0.590 804 2HB SER 105 HB1 SER 105 -5.303 -4.258 0.308 805 HG SER 105 HG SER 105 -3.226 -3.034 1.746 806 H ASN 106 HN ASN 106 -5.478 -7.180 0.936 807 HA ASN 106 HA ASN 106 -7.191 -8.538 0.508 808 1HB ASN 106 HB2 ASN 106 -8.670 -6.879 2.552 809 2HB ASN 106 HB1 ASN 106 -9.348 -8.303 1.768 810 1HD2 ASN 106 HD21 ASN 106 -6.286 -7.420 3.313 811 2HD2 ASN 106 HD22 ASN 106 -6.200 -8.813 4.324 812 H LEU 107 HN LEU 107 -8.000 -5.174 0.784 813 HA LEU 107 HA LEU 107 -9.974 -5.154 -1.312 814 1HB LEU 107 HB2 LEU 107 -10.482 -3.103 -0.585 815 2HB LEU 107 HB1 LEU 107 -9.495 -3.516 0.803 816 HG LEU 107 HG LEU 107 -8.173 -2.264 -1.563 817 1HD1 LEU 107 HD11 LEU 107 -8.701 -0.074 -0.155 818 2HD1 LEU 107 HD12 LEU 107 -10.157 -0.986 0.248 819 3HD1 LEU 107 HD13 LEU 107 -9.773 -0.638 -1.438 820 1HD2 LEU 107 HD21 LEU 107 -6.650 -1.482 0.066 821 2HD2 LEU 107 HD22 LEU 107 -6.997 -3.159 0.490 822 3HD2 LEU 107 HD23 LEU 107 -7.764 -1.845 1.387 823 H LYS 108 HN LYS 108 -9.633 -3.387 -2.963 824 HA LYS 108 HA LYS 108 -7.950 -4.269 -4.847 825 1HB LYS 108 HB2 LYS 108 -9.637 -2.065 -4.505 826 2HB LYS 108 HB1 LYS 108 -8.086 -1.420 -5.044 827 1HG LYS 108 HG2 LYS 108 -8.606 -3.747 -6.530 828 2HG LYS 108 HG1 LYS 108 -10.047 -2.749 -6.539 829 1HD LYS 108 HD2 LYS 108 -8.934 -0.960 -7.519 830 2HD LYS 108 HD1 LYS 108 -7.373 -1.546 -6.929 831 1HE LYS 108 HE2 LYS 108 -7.187 -3.127 -8.622 832 2HE LYS 108 HE1 LYS 108 -8.919 -3.123 -8.951 833 1HZ LYS 108 HZ1 LYS 108 -6.915 -1.078 -9.707 834 2HZ LYS 108 HZ2 LYS 108 -8.578 -0.771 -9.750 835 3HZ LYS 108 HZ3 LYS 108 -7.919 -1.986 -10.724 836 H ASN 109 HN ASN 109 -5.931 -4.433 -5.072 837 HA ASN 109 HA ASN 109 -3.955 -3.904 -3.371 838 1HB ASN 109 HB2 ASN 109 -3.695 -3.681 -6.374 839 2HB ASN 109 HB1 ASN 109 -2.430 -4.114 -5.231 840 1HD2 ASN 109 HD21 ASN 109 -4.935 -5.438 -3.846 841 2HD2 ASN 109 HD22 ASN 109 -4.899 -6.994 -4.550 842 HA PRO 110 HA PRO 110 -4.378 0.600 -2.961 843 1HB PRO 110 HB2 PRO 110 -2.075 -0.080 -1.189 844 2HB PRO 110 HB1 PRO 110 -3.453 0.985 -0.881 845 1HG PRO 110 HG2 PRO 110 -3.352 -1.448 0.181 846 2HG PRO 110 HG1 PRO 110 -4.881 -0.784 -0.428 847 1HD PRO 110 HD2 PRO 110 -3.112 -2.863 -1.612 848 2HD PRO 110 HD1 PRO 110 -4.875 -2.695 -1.705 849 H GLN 111 HN GLN 111 -3.048 2.356 -3.425 850 HA GLN 111 HA GLN 111 -0.650 1.662 -4.975 851 1HB GLN 111 HB2 GLN 111 -1.881 4.343 -5.303 852 2HB GLN 111 HB1 GLN 111 -1.165 3.282 -6.509 853 1HG GLN 111 HG2 GLN 111 -3.792 2.584 -5.266 854 2HG GLN 111 HG1 GLN 111 -3.707 3.764 -6.573 855 1HE2 GLN 111 HE21 GLN 111 -2.115 0.667 -5.890 856 2HE2 GLN 111 HE22 GLN 111 -2.493 -0.059 -7.410 857 H VAL 112 HN VAL 112 1.253 2.463 -4.338 858 HA VAL 112 HA VAL 112 1.323 3.884 -1.845 859 HB VAL 112 HB VAL 112 3.753 3.218 -3.446 860 1HG1 VAL 112 HG11 VAL 112 4.228 4.538 -1.538 861 2HG1 VAL 112 HG12 VAL 112 4.630 2.880 -1.090 862 3HG1 VAL 112 HG13 VAL 112 3.124 3.606 -0.527 863 1HG2 VAL 112 HG21 VAL 112 1.974 1.303 -3.056 864 2HG2 VAL 112 HG22 VAL 112 2.697 1.293 -1.448 865 3HG2 VAL 112 HG23 VAL 112 3.702 1.012 -2.869 866 H TYR 113 HN TYR 113 2.003 5.926 -1.472 867 HA TYR 113 HA TYR 113 2.628 7.643 -3.799 868 1HB TYR 113 HB2 TYR 113 1.121 8.523 -1.333 869 2HB TYR 113 HB1 TYR 113 1.294 9.379 -2.860 870 HD1 TYR 113 HD1 TYR 113 -0.616 6.932 -1.007 871 HD2 TYR 113 HD2 TYR 113 0.085 8.525 -4.888 872 HE1 TYR 113 HE1 TYR 113 -2.712 5.908 -1.786 873 HE2 TYR 113 HE2 TYR 113 -2.015 7.520 -5.681 874 HH TYR 113 HH TYR 113 -3.656 5.150 -4.050 875 H ARG 114 HN ARG 114 4.708 8.294 -3.618 876 HA ARG 114 HA ARG 114 5.835 8.646 -0.915 877 1HB ARG 114 HB2 ARG 114 7.264 8.336 -3.561 878 2HB ARG 114 HB1 ARG 114 8.042 8.497 -1.992 879 1HG ARG 114 HG2 ARG 114 7.145 6.375 -1.287 880 2HG ARG 114 HG1 ARG 114 6.218 6.229 -2.781 881 1HD ARG 114 HD2 ARG 114 8.036 4.955 -3.322 882 2HD ARG 114 HD1 ARG 114 8.595 6.532 -3.878 883 HE ARG 114 HE ARG 114 9.338 6.092 -1.177 884 1HH1 ARG 114 HH11 ARG 114 10.146 5.197 -4.445 885 2HH1 ARG 114 HH12 ARG 114 11.801 4.843 -4.077 886 1HH2 ARG 114 HH21 ARG 114 11.517 5.632 -0.683 887 2HH2 ARG 114 HH22 ARG 114 12.580 5.089 -1.937 888 H LEU 115 HN LEU 115 5.636 10.768 -0.300 889 HA LEU 115 HA LEU 115 6.656 12.733 -2.237 890 1HB LEU 115 HB2 LEU 115 4.516 13.557 -0.354 891 2HB LEU 115 HB1 LEU 115 4.963 14.232 -1.908 892 HG LEU 115 HG LEU 115 4.044 11.899 -2.800 893 1HD1 LEU 115 HD11 LEU 115 2.845 10.687 -1.372 894 2HD1 LEU 115 HD12 LEU 115 1.928 12.100 -0.850 895 3HD1 LEU 115 HD13 LEU 115 3.462 11.708 -0.073 896 1HD2 LEU 115 HD21 LEU 115 2.917 13.608 -3.733 897 2HD2 LEU 115 HD22 LEU 115 2.840 14.520 -2.226 898 3HD2 LEU 115 HD23 LEU 115 1.688 13.220 -2.531 899 H GLY 116 HN GLY 116 8.531 13.407 -1.406 900 1HA GLY 116 HA2 GLY 116 8.855 15.208 0.511 901 2HA GLY 116 HA1 GLY 116 8.868 13.721 1.466 902 H GLU 117 HN GLU 117 10.922 15.888 0.520 903 HA GLU 117 HA GLU 117 12.858 14.080 -0.670 904 1HB GLU 117 HB2 GLU 117 14.068 16.606 -0.318 905 2HB GLU 117 HB1 GLU 117 13.499 15.890 -1.818 906 1HG GLU 117 HG2 GLU 117 11.331 16.926 -1.533 907 2HG GLU 117 HG1 GLU 117 11.827 17.578 0.033 908 H VAL 118 HN VAL 118 13.837 12.898 0.739 909 HA VAL 118 HA VAL 118 15.776 12.738 2.176 910 HB VAL 118 HB VAL 118 14.367 14.922 3.708 911 1HG1 VAL 118 HG11 VAL 118 16.704 13.333 4.747 912 2HG1 VAL 118 HG12 VAL 118 15.034 13.021 5.220 913 3HG1 VAL 118 HG13 VAL 118 15.778 14.576 5.587 914 1HG2 VAL 118 HG21 VAL 118 16.561 16.004 3.590 915 2HG2 VAL 118 HG22 VAL 118 15.951 15.615 1.982 916 3HG2 VAL 118 HG23 VAL 118 17.201 14.612 2.718 917 H GLU 119 HN GLU 119 12.467 13.172 3.282 918 HA GLU 119 HA GLU 119 12.363 10.396 4.121 919 1HB GLU 119 HB2 GLU 119 10.914 11.915 6.017 920 2HB GLU 119 HB1 GLU 119 12.272 10.843 6.286 921 1HG GLU 119 HG2 GLU 119 13.782 12.556 6.385 922 2HG GLU 119 HG1 GLU 119 12.807 13.610 5.363 923 H LEU 120 HN LEU 120 11.154 10.336 2.167 924 HA LEU 120 HA LEU 120 8.828 11.905 1.780 925 1HB LEU 120 HB2 LEU 120 8.447 10.494 -0.141 926 2HB LEU 120 HB1 LEU 120 10.156 10.878 -0.033 927 HG LEU 120 HG LEU 120 10.327 8.582 1.214 928 1HD1 LEU 120 HD11 LEU 120 7.612 8.531 0.053 929 2HD1 LEU 120 HD12 LEU 120 8.268 7.688 1.457 930 3HD1 LEU 120 HD13 LEU 120 8.598 7.087 -0.168 931 1HD2 LEU 120 HD21 LEU 120 11.278 9.261 -1.018 932 2HD2 LEU 120 HD22 LEU 120 9.823 8.591 -1.756 933 3HD2 LEU 120 HD23 LEU 120 10.909 7.545 -0.841 934 H ASP 121 HN ASP 121 6.714 11.441 2.183 935 HA ASP 121 HA ASP 121 6.224 9.346 4.139 936 1HB ASP 121 HB2 ASP 121 4.608 11.673 3.111 937 2HB ASP 121 HB1 ASP 121 3.860 10.401 4.072 938 H VAL 122 HN VAL 122 5.648 7.387 3.493 939 HA VAL 122 HA VAL 122 4.611 7.005 0.810 940 HB VAL 122 HB VAL 122 5.968 5.310 2.787 941 1HG1 VAL 122 HG11 VAL 122 3.478 4.374 1.561 942 2HG1 VAL 122 HG12 VAL 122 4.387 3.727 2.926 943 3HG1 VAL 122 HG13 VAL 122 4.866 3.322 1.280 944 1HG2 VAL 122 HG21 VAL 122 6.766 4.239 0.666 945 2HG2 VAL 122 HG22 VAL 122 7.110 5.962 0.816 946 3HG2 VAL 122 HG23 VAL 122 5.785 5.412 -0.209 947 H TYR 123 HN TYR 123 2.568 6.729 0.323 948 HA TYR 123 HA TYR 123 0.697 5.959 2.462 949 1HB TYR 123 HB2 TYR 123 0.386 8.038 0.304 950 2HB TYR 123 HB1 TYR 123 -1.008 7.308 1.093 951 HD1 TYR 123 HD1 TYR 123 -0.513 10.217 1.111 952 HD2 TYR 123 HD2 TYR 123 0.821 7.209 3.807 953 HE1 TYR 123 HE1 TYR 123 -0.356 11.894 2.901 954 HE2 TYR 123 HE2 TYR 123 0.979 8.876 5.601 955 HH TYR 123 HH TYR 123 -0.055 12.222 5.099 956 H VAL 124 HN VAL 124 -0.533 4.247 2.012 957 HA VAL 124 HA VAL 124 -0.723 3.403 -0.799 958 HB VAL 124 HB VAL 124 -0.730 1.274 1.266 959 1HG1 VAL 124 HG11 VAL 124 -0.820 1.181 -1.359 960 2HG1 VAL 124 HG12 VAL 124 0.028 -0.053 -0.426 961 3HG1 VAL 124 HG13 VAL 124 0.934 1.252 -1.189 962 1HG2 VAL 124 HG21 VAL 124 1.182 3.022 1.747 963 2HG2 VAL 124 HG22 VAL 124 1.964 2.192 0.401 964 3HG2 VAL 124 HG23 VAL 124 1.486 1.286 1.836 965 H ILE 125 HN ILE 125 -2.823 3.390 -1.376 966 HA ILE 125 HA ILE 125 -4.810 2.476 0.592 967 HB ILE 125 HB ILE 125 -5.621 4.817 -1.038 968 1HG1 ILE 125 HG12 ILE 125 -4.136 5.392 1.491 969 2HG1 ILE 125 HG11 ILE 125 -3.223 5.192 -0.001 970 1HG2 ILE 125 HG21 ILE 125 -6.770 3.383 0.917 971 2HG2 ILE 125 HG22 ILE 125 -7.162 5.071 0.591 972 3HG2 ILE 125 HG23 ILE 125 -6.027 4.662 1.876 973 1HD1 ILE 125 HD11 ILE 125 -4.404 7.010 -1.025 974 2HD1 ILE 125 HD12 ILE 125 -3.768 7.539 0.533 975 3HD1 ILE 125 HD13 ILE 125 -5.479 7.144 0.366 976 H GLY 126 HN GLY 126 -6.401 1.182 -0.324 977 1HA GLY 126 HA2 GLY 126 -6.281 0.826 -3.250 978 2HA GLY 126 HA1 GLY 126 -6.869 -0.352 -2.091 979 H GLU 127 HN GLU 127 -8.541 -0.031 -4.141 980 HA GLU 127 HA GLU 127 -10.632 1.517 -2.945 981 1HB GLU 127 HB2 GLU 127 -11.290 2.674 -4.736 982 2HB GLU 127 HB1 GLU 127 -9.558 2.589 -5.064 983 1HG GLU 127 HG2 GLU 127 -10.121 0.536 -6.478 984 2HG GLU 127 HG1 GLU 127 -11.796 1.088 -6.370 985 H THR 128 HN THR 128 -11.874 0.235 -2.214 986 HA THR 128 HA THR 128 -13.966 -0.890 -3.288 987 HB THR 128 HB THR 128 -12.377 -2.354 -4.609 988 HG1 THR 128 HG1 THR 128 -14.384 -3.117 -4.687 989 1HG2 THR 128 HG21 THR 128 -12.280 -4.262 -2.360 990 2HG2 THR 128 HG22 THR 128 -11.171 -2.894 -2.267 991 3HG2 THR 128 HG23 THR 128 -11.118 -3.978 -3.656 992 HA PRO 129 HA PRO 129 -13.265 -2.050 1.231 993 1HB PRO 129 HB2 PRO 129 -13.732 0.567 2.297 994 2HB PRO 129 HB1 PRO 129 -12.280 -0.407 2.463 995 1HG PRO 129 HG2 PRO 129 -12.447 1.961 1.063 996 2HG PRO 129 HG1 PRO 129 -11.192 0.729 0.838 997 1HD PRO 129 HD2 PRO 129 -13.614 1.285 -0.792 998 2HD PRO 129 HD1 PRO 129 -12.014 0.719 -1.286 999 H ALA 130 HN ALA 130 -14.852 0.723 0.038 1000 HA ALA 130 HA ALA 130 -17.529 -0.402 0.452 1001 1HB ALA 130 HB1 ALA 130 -17.284 1.286 2.182 1002 2HB ALA 130 HB2 ALA 130 -18.364 1.897 0.929 1003 3HB ALA 130 HB3 ALA 130 -16.692 2.452 1.000 1004 H GLY 131 HN GLY 131 -15.129 0.540 -1.427 1005 1HA GLY 131 HA2 GLY 131 -15.217 0.501 -3.820 1006 2HA GLY 131 HA1 GLY 131 -16.802 1.260 -3.734 1007 H ASN 132 HN ASN 132 -14.031 1.980 -1.793 1008 HA ASN 132 HA ASN 132 -13.398 4.453 -3.163 1009 1HB ASN 132 HB2 ASN 132 -14.786 4.290 -0.559 1010 2HB ASN 132 HB1 ASN 132 -13.459 5.429 -0.657 1011 1HD2 ASN 132 HD21 ASN 132 -13.521 7.043 -2.301 1012 2HD2 ASN 132 HD22 ASN 132 -15.040 7.615 -2.880 1013 H LEU 133 HN LEU 133 -11.777 5.240 -0.616 1014 HA LEU 133 HA LEU 133 -9.840 3.129 -1.147 1015 1HB LEU 133 HB2 LEU 133 -9.504 6.027 -0.641 1016 2HB LEU 133 HB1 LEU 133 -8.189 4.926 -0.268 1017 HG LEU 133 HG LEU 133 -8.575 6.104 -2.700 1018 1HD1 LEU 133 HD11 LEU 133 -6.991 4.451 -3.580 1019 2HD1 LEU 133 HD12 LEU 133 -7.221 3.494 -2.115 1020 3HD1 LEU 133 HD13 LEU 133 -6.517 5.108 -2.016 1021 1HD2 LEU 133 HD21 LEU 133 -9.449 3.274 -3.135 1022 2HD2 LEU 133 HD22 LEU 133 -9.478 4.634 -4.260 1023 3HD2 LEU 133 HD23 LEU 133 -10.613 4.579 -2.910 1024 H ALA 134 HN ALA 134 -8.279 2.583 0.334 1025 HA ALA 134 HA ALA 134 -8.186 3.027 3.040 1026 1HB ALA 134 HB1 ALA 134 -9.818 0.555 2.507 1027 2HB ALA 134 HB2 ALA 134 -10.547 2.101 2.938 1028 3HB ALA 134 HB3 ALA 134 -9.448 1.302 4.061 1029 H GLY 135 HN GLY 135 -6.026 2.641 2.879 1030 1HA GLY 135 HA2 GLY 135 -5.224 -0.111 2.163 1031 2HA GLY 135 HA1 GLY 135 -4.359 1.272 1.502 1032 H ILE 136 HN ILE 136 -2.391 1.084 2.468 1033 HA ILE 136 HA ILE 136 -2.349 1.351 5.402 1034 HB ILE 136 HB ILE 136 -0.012 0.037 4.908 1035 1HG1 ILE 136 HG12 ILE 136 -1.998 -1.692 3.507 1036 2HG1 ILE 136 HG11 ILE 136 -1.205 -0.420 2.585 1037 1HG2 ILE 136 HG21 ILE 136 -0.787 -1.433 6.435 1038 2HG2 ILE 136 HG22 ILE 136 -2.313 -1.676 5.584 1039 3HG2 ILE 136 HG23 ILE 136 -2.076 -0.238 6.577 1040 1HD1 ILE 136 HD11 ILE 136 0.871 -1.656 3.917 1041 2HD1 ILE 136 HD12 ILE 136 0.420 -1.880 2.226 1042 3HD1 ILE 136 HD13 ILE 136 -0.196 -2.984 3.457 1043 H SER 137 HN SER 137 0.144 1.935 6.012 1044 HA SER 137 HA SER 137 1.449 3.452 3.917 1045 1HB SER 137 HB2 SER 137 0.419 5.407 4.215 1046 2HB SER 137 HB1 SER 137 -0.499 4.769 5.571 1047 HG SER 137 HG SER 137 2.139 5.809 5.698 1048 H THR 138 HN THR 138 3.443 4.471 4.531 1049 HA THR 138 HA THR 138 4.490 4.074 7.190 1050 HB THR 138 HB THR 138 4.742 1.827 6.007 1051 HG1 THR 138 HG1 THR 138 5.990 2.267 7.818 1052 1HG2 THR 138 HG21 THR 138 6.629 1.601 4.478 1053 2HG2 THR 138 HG22 THR 138 6.900 3.343 4.535 1054 3HG2 THR 138 HG23 THR 138 5.423 2.704 3.813 1055 H LYS 139 HN LYS 139 6.763 4.882 7.378 1056 HA LYS 139 HA LYS 139 7.193 7.091 5.471 1057 1HB LYS 139 HB2 LYS 139 6.855 7.857 7.735 1058 2HB LYS 139 HB1 LYS 139 8.068 6.743 8.341 1059 1HG LYS 139 HG2 LYS 139 8.866 9.062 8.241 1060 2HG LYS 139 HG1 LYS 139 9.820 7.971 7.236 1061 1HD LYS 139 HD2 LYS 139 9.430 9.256 5.469 1062 2HD LYS 139 HD1 LYS 139 7.695 8.995 5.653 1063 1HE LYS 139 HE2 LYS 139 8.631 11.402 5.673 1064 2HE LYS 139 HE1 LYS 139 7.401 10.948 6.852 1065 1HZ LYS 139 HZ1 LYS 139 9.665 12.163 7.508 1066 2HZ LYS 139 HZ2 LYS 139 10.169 10.557 7.662 1067 3HZ LYS 139 HZ3 LYS 139 8.848 11.117 8.558 1068 H VAL 140 HN VAL 140 9.277 7.536 4.683 1069 HA VAL 140 HA VAL 140 11.380 5.557 5.105 1070 HB VAL 140 HB VAL 140 11.218 6.103 2.302 1071 1HG1 VAL 140 HG11 VAL 140 11.336 3.740 4.092 1072 2HG1 VAL 140 HG12 VAL 140 12.396 4.213 2.766 1073 3HG1 VAL 140 HG13 VAL 140 10.831 3.475 2.423 1074 1HG2 VAL 140 HG21 VAL 140 9.151 5.267 1.636 1075 2HG2 VAL 140 HG22 VAL 140 8.746 6.323 2.990 1076 3HG2 VAL 140 HG23 VAL 140 8.808 4.576 3.222 1077 H VAL 141 HN VAL 141 13.337 6.551 5.204 1078 HA VAL 141 HA VAL 141 13.593 9.341 4.623 1079 HB VAL 141 HB VAL 141 14.969 8.445 6.375 1080 1HG1 VAL 141 HG11 VAL 141 16.854 6.841 4.958 1081 2HG1 VAL 141 HG12 VAL 141 15.228 6.222 4.665 1082 3HG1 VAL 141 HG13 VAL 141 15.821 6.401 6.317 1083 1HG2 VAL 141 HG21 VAL 141 16.419 9.372 3.939 1084 2HG2 VAL 141 HG22 VAL 141 17.334 8.880 5.364 1085 3HG2 VAL 141 HG23 VAL 141 16.163 10.195 5.477 1086 H GLU 142 HN GLU 142 13.153 9.681 2.446 1087 HA GLU 142 HA GLU 142 15.325 9.060 0.639 1088 1HB GLU 142 HB2 GLU 142 12.652 7.810 0.424 1089 2HB GLU 142 HB1 GLU 142 13.385 8.385 -1.067 1090 1HG GLU 142 HG2 GLU 142 14.342 6.263 0.805 1091 2HG GLU 142 HG1 GLU 142 14.062 6.180 -0.930 1092 H THR 143 HN THR 143 15.317 10.337 -1.290 1093 HA THR 143 HA THR 143 13.727 12.814 -1.033 1094 HB THR 143 HB THR 143 15.489 13.559 -2.847 1095 HG1 THR 143 HG1 THR 143 16.947 12.079 -3.211 1096 1HG2 THR 143 HG21 THR 143 16.037 14.840 -1.111 1097 2HG2 THR 143 HG22 THR 143 17.100 13.553 -0.541 1098 3HG2 THR 143 HG23 THR 143 15.431 13.631 0.018 Start of MODEL 5 1 1H MET 1 HT1 MET 1 -27.129 -3.870 -5.611 2 2H MET 1 HT2 MET 1 -28.617 -4.544 -5.175 3 3H MET 1 HT3 MET 1 -28.163 -3.033 -4.566 4 HA MET 1 HA MET 1 -28.405 -1.978 -6.623 5 1HB MET 1 HB2 MET 1 -27.943 -4.701 -7.555 6 2HB MET 1 HB1 MET 1 -29.244 -3.911 -8.435 7 1HG MET 1 HG2 MET 1 -27.172 -3.564 -9.589 8 2HG MET 1 HG1 MET 1 -27.735 -2.030 -8.926 9 1HE MET 1 HE1 MET 1 -24.546 -3.990 -9.494 10 2HE MET 1 HE2 MET 1 -25.464 -5.072 -8.446 11 3HE MET 1 HE3 MET 1 -23.963 -4.350 -7.868 12 H HIS 2 HN HIS 2 -30.123 -2.789 -4.437 13 HA HIS 2 HA HIS 2 -32.693 -3.263 -5.757 14 1HB HIS 2 HB2 HIS 2 -31.608 -4.169 -3.343 15 2HB HIS 2 HB1 HIS 2 -32.830 -2.990 -2.873 16 HD1 HIS 2 HD1 HIS 2 -34.506 -4.683 -1.986 17 HD2 HIS 2 HD2 HIS 2 -33.385 -5.394 -5.924 18 HE1 HIS 2 HE1 HIS 2 -36.097 -6.437 -2.832 19 HE2 HIS 2 HE2 HIS 2 -35.448 -6.795 -5.239 20 H HIS 3 HN HIS 3 -31.001 -0.917 -3.743 21 HA HIS 3 HA HIS 3 -33.265 0.933 -4.010 22 1HB HIS 3 HB2 HIS 3 -30.860 1.041 -2.176 23 2HB HIS 3 HB1 HIS 3 -32.147 2.242 -2.226 24 HD1 HIS 3 HD1 HIS 3 -32.851 -1.448 -2.375 25 HD2 HIS 3 HD2 HIS 3 -33.078 1.700 0.329 26 HE1 HIS 3 HE1 HIS 3 -34.150 -2.337 -0.415 27 HE2 HIS 3 HE2 HIS 3 -34.342 -0.392 1.174 28 H HIS 4 HN HIS 4 -32.807 3.182 -4.513 29 HA HIS 4 HA HIS 4 -31.010 3.403 -6.737 30 1HB HIS 4 HB2 HIS 4 -32.472 5.700 -5.450 31 2HB HIS 4 HB1 HIS 4 -31.988 5.515 -7.133 32 HD1 HIS 4 HD1 HIS 4 -33.186 2.732 -7.697 33 HD2 HIS 4 HD2 HIS 4 -35.187 5.782 -5.707 34 HE1 HIS 4 HE1 HIS 4 -35.631 2.223 -7.975 35 HE2 HIS 4 HE2 HIS 4 -36.826 4.116 -6.819 36 H HIS 5 HN HIS 5 -30.462 3.505 -3.517 37 HA HIS 5 HA HIS 5 -27.922 4.818 -3.847 38 1HB HIS 5 HB2 HIS 5 -30.062 6.408 -3.009 39 2HB HIS 5 HB1 HIS 5 -29.195 6.013 -1.528 40 HD1 HIS 5 HD1 HIS 5 -28.484 7.477 -4.961 41 HD2 HIS 5 HD2 HIS 5 -27.004 7.555 -1.079 42 HE1 HIS 5 HE1 HIS 5 -26.660 9.208 -4.971 43 HE2 HIS 5 HE2 HIS 5 -25.844 9.304 -2.590 44 H HIS 6 HN HIS 6 -26.498 3.651 -2.741 45 HA HIS 6 HA HIS 6 -27.150 2.645 -0.098 46 1HB HIS 6 HB2 HIS 6 -27.236 0.962 -2.436 47 2HB HIS 6 HB1 HIS 6 -25.951 0.430 -1.358 48 HD1 HIS 6 HD1 HIS 6 -28.189 -1.485 -1.664 49 HD2 HIS 6 HD2 HIS 6 -28.294 1.570 1.151 50 HE1 HIS 6 HE1 HIS 6 -29.838 -2.234 0.080 51 HE2 HIS 6 HE2 HIS 6 -29.836 -0.400 1.807 52 H HIS 7 HN HIS 7 -25.297 1.835 1.056 53 HA HIS 7 HA HIS 7 -22.676 2.301 -0.113 54 1HB HIS 7 HB2 HIS 7 -22.340 3.576 2.297 55 2HB HIS 7 HB1 HIS 7 -22.543 4.382 0.746 56 HD1 HIS 7 HD1 HIS 7 -25.016 2.889 3.240 57 HD2 HIS 7 HD2 HIS 7 -24.343 6.360 1.057 58 HE1 HIS 7 HE1 HIS 7 -26.939 4.412 3.790 59 HE2 HIS 7 HE2 HIS 7 -26.486 6.526 2.496 60 H GLY 8 HN GLY 8 -23.391 -0.122 0.353 61 1HA GLY 8 HA2 GLY 8 -23.332 -1.202 2.908 62 2HA GLY 8 HA1 GLY 8 -22.826 -2.049 1.456 63 H SER 9 HN SER 9 -21.848 -0.941 4.433 64 HA SER 9 HA SER 9 -19.118 -0.316 3.847 65 1HB SER 9 HB2 SER 9 -20.822 -0.462 6.214 66 2HB SER 9 HB1 SER 9 -19.197 -1.075 6.516 67 HG SER 9 HG SER 9 -19.009 1.061 6.844 68 H THR 10 HN THR 10 -18.514 -2.122 2.536 69 HA THR 10 HA THR 10 -18.002 -4.574 4.091 70 HB THR 10 HB THR 10 -17.880 -5.640 1.716 71 HG1 THR 10 HG1 THR 10 -19.732 -4.350 0.545 72 1HG2 THR 10 HG21 THR 10 -20.696 -5.110 2.137 73 2HG2 THR 10 HG22 THR 10 -19.865 -5.455 3.654 74 3HG2 THR 10 HG23 THR 10 -19.794 -6.614 2.326 75 H LYS 11 HN LYS 11 -15.942 -4.506 4.686 76 HA LYS 11 HA LYS 11 -13.691 -4.755 4.469 77 1HB LYS 11 HB2 LYS 11 -14.073 -5.736 2.230 78 2HB LYS 11 HB1 LYS 11 -14.046 -4.124 1.539 79 1HG LYS 11 HG2 LYS 11 -11.934 -5.269 1.207 80 2HG LYS 11 HG1 LYS 11 -11.735 -3.847 2.232 81 1HD LYS 11 HD2 LYS 11 -10.462 -5.562 3.233 82 2HD LYS 11 HD1 LYS 11 -11.925 -5.410 4.207 83 1HE LYS 11 HE2 LYS 11 -11.937 -7.354 1.967 84 2HE LYS 11 HE1 LYS 11 -10.999 -7.758 3.404 85 1HZ LYS 11 HZ1 LYS 11 -13.391 -8.526 3.348 86 2HZ LYS 11 HZ2 LYS 11 -13.828 -6.906 3.560 87 3HZ LYS 11 HZ3 LYS 11 -12.906 -7.694 4.739 88 H THR 12 HN THR 12 -15.073 -2.355 5.134 89 HA THR 12 HA THR 12 -13.646 -0.104 4.071 90 HB THR 12 HB THR 12 -14.524 0.791 6.489 91 HG1 THR 12 HG1 THR 12 -15.948 -0.564 7.265 92 1HG2 THR 12 HG21 THR 12 -14.995 1.740 4.233 93 2HG2 THR 12 HG22 THR 12 -16.400 1.755 5.299 94 3HG2 THR 12 HG23 THR 12 -16.271 0.540 4.027 95 H ASN 13 HN ASN 13 -12.847 1.373 6.185 96 HA ASN 13 HA ASN 13 -10.334 0.326 6.854 97 1HB ASN 13 HB2 ASN 13 -11.358 2.780 7.064 98 2HB ASN 13 HB1 ASN 13 -11.672 2.258 8.714 99 1HD2 ASN 13 HD21 ASN 13 -9.409 0.709 9.224 100 2HD2 ASN 13 HD22 ASN 13 -8.027 1.737 9.216 101 H SER 14 HN SER 14 -13.435 -0.449 7.991 102 HA SER 14 HA SER 14 -12.888 -1.141 10.666 103 1HB SER 14 HB2 SER 14 -15.182 -1.030 9.675 104 2HB SER 14 HB1 SER 14 -14.810 -2.478 8.736 105 HG SER 14 HG SER 14 -14.759 -3.668 10.580 106 H GLU 15 HN GLU 15 -13.141 -3.172 7.788 107 HA GLU 15 HA GLU 15 -11.741 -5.371 8.959 108 1HB GLU 15 HB2 GLU 15 -13.386 -5.673 7.132 109 2HB GLU 15 HB1 GLU 15 -12.354 -4.738 6.063 110 1HG GLU 15 HG2 GLU 15 -11.944 -6.961 5.519 111 2HG GLU 15 HG1 GLU 15 -10.568 -6.455 6.498 112 H ILE 16 HN ILE 16 -11.028 -2.989 6.462 113 HA ILE 16 HA ILE 16 -8.481 -3.570 5.780 114 HB ILE 16 HB ILE 16 -9.662 -0.819 6.169 115 1HG1 ILE 16 HG12 ILE 16 -10.964 -1.772 4.514 116 2HG1 ILE 16 HG11 ILE 16 -9.646 -1.122 3.536 117 1HG2 ILE 16 HG21 ILE 16 -6.992 -1.414 5.793 118 2HG2 ILE 16 HG22 ILE 16 -7.778 0.117 5.406 119 3HG2 ILE 16 HG23 ILE 16 -7.576 -1.112 4.157 120 1HD1 ILE 16 HD11 ILE 16 -8.587 -3.350 3.569 121 2HD1 ILE 16 HD12 ILE 16 -10.170 -3.332 2.794 122 3HD1 ILE 16 HD13 ILE 16 -9.995 -3.973 4.429 123 H LEU 17 HN LEU 17 -9.449 -1.663 8.607 124 HA LEU 17 HA LEU 17 -6.832 -1.090 9.478 125 1HB LEU 17 HB2 LEU 17 -7.805 -0.061 11.250 126 2HB LEU 17 HB1 LEU 17 -9.233 -0.197 10.238 127 HG LEU 17 HG LEU 17 -9.420 -2.521 11.591 128 1HD1 LEU 17 HD11 LEU 17 -8.226 -2.615 13.456 129 2HD1 LEU 17 HD12 LEU 17 -8.837 -1.041 13.966 130 3HD1 LEU 17 HD13 LEU 17 -7.390 -1.143 12.961 131 1HD2 LEU 17 HD21 LEU 17 -11.355 -1.441 11.835 132 2HD2 LEU 17 HD22 LEU 17 -10.572 0.139 11.785 133 3HD2 LEU 17 HD23 LEU 17 -10.660 -0.754 13.304 134 H GLU 18 HN GLU 18 -9.006 -3.796 10.059 135 HA GLU 18 HA GLU 18 -7.415 -5.002 12.077 136 1HB GLU 18 HB2 GLU 18 -9.656 -5.662 12.023 137 2HB GLU 18 HB1 GLU 18 -9.623 -5.958 10.291 138 1HG GLU 18 HG2 GLU 18 -9.080 -8.082 10.595 139 2HG GLU 18 HG1 GLU 18 -7.712 -7.633 11.614 140 H GLN 19 HN GLN 19 -7.923 -6.021 8.698 141 HA GLN 19 HA GLN 19 -6.176 -8.084 8.488 142 1HB GLN 19 HB2 GLN 19 -5.771 -6.916 6.094 143 2HB GLN 19 HB1 GLN 19 -7.216 -7.850 6.490 144 1HG GLN 19 HG2 GLN 19 -8.502 -5.953 6.825 145 2HG GLN 19 HG1 GLN 19 -7.100 -4.919 7.067 146 1HE2 GLN 19 HE21 GLN 19 -6.498 -3.662 5.409 147 2HE2 GLN 19 HE22 GLN 19 -7.037 -3.860 3.782 148 H LEU 20 HN LEU 20 -5.288 -4.784 7.491 149 HA LEU 20 HA LEU 20 -2.562 -5.519 7.215 150 1HB LEU 20 HB2 LEU 20 -3.991 -2.895 7.031 151 2HB LEU 20 HB1 LEU 20 -2.267 -3.040 6.770 152 HG LEU 20 HG LEU 20 -4.063 -4.790 5.176 153 1HD1 LEU 20 HD11 LEU 20 -3.530 -2.025 4.201 154 2HD1 LEU 20 HD12 LEU 20 -4.895 -2.306 5.281 155 3HD1 LEU 20 HD13 LEU 20 -4.800 -3.157 3.738 156 1HD2 LEU 20 HD21 LEU 20 -1.567 -4.868 5.086 157 2HD2 LEU 20 HD22 LEU 20 -1.599 -3.233 4.428 158 3HD2 LEU 20 HD23 LEU 20 -2.350 -4.556 3.537 159 H LYS 21 HN LYS 21 -4.130 -3.175 9.450 160 HA LYS 21 HA LYS 21 -1.819 -2.460 10.775 161 1HB LYS 21 HB2 LYS 21 -4.651 -2.629 11.764 162 2HB LYS 21 HB1 LYS 21 -3.347 -2.065 12.791 163 1HG LYS 21 HG2 LYS 21 -3.492 -0.791 10.148 164 2HG LYS 21 HG1 LYS 21 -4.864 -0.480 11.215 165 1HD LYS 21 HD2 LYS 21 -3.110 1.221 11.472 166 2HD LYS 21 HD1 LYS 21 -3.369 0.313 12.961 167 1HE LYS 21 HE2 LYS 21 -1.391 -0.974 12.606 168 2HE LYS 21 HE1 LYS 21 -1.199 -0.336 10.974 169 1HZ LYS 21 HZ1 LYS 21 -0.930 1.898 12.037 170 2HZ LYS 21 HZ2 LYS 21 0.322 0.805 12.349 171 3HZ LYS 21 HZ3 LYS 21 -0.844 1.113 13.535 172 H GLN 22 HN GLN 22 -3.764 -5.335 11.190 173 HA GLN 22 HA GLN 22 -2.228 -6.156 13.490 174 1HB GLN 22 HB2 GLN 22 -4.398 -7.574 11.944 175 2HB GLN 22 HB1 GLN 22 -3.604 -8.236 13.367 176 1HG GLN 22 HG2 GLN 22 -4.469 -6.504 14.751 177 2HG GLN 22 HG1 GLN 22 -5.063 -5.613 13.352 178 1HE2 GLN 22 HE21 GLN 22 -5.351 -9.089 13.799 179 2HE2 GLN 22 HE22 GLN 22 -7.068 -9.111 13.953 180 H ALA 23 HN ALA 23 -2.705 -7.352 10.163 181 HA ALA 23 HA ALA 23 -0.561 -9.263 10.450 182 1HB ALA 23 HB1 ALA 23 -1.644 -8.729 7.766 183 2HB ALA 23 HB2 ALA 23 -2.799 -9.291 8.975 184 3HB ALA 23 HB3 ALA 23 -1.371 -10.257 8.603 185 H SER 24 HN SER 24 -1.114 -6.561 8.140 186 HA SER 24 HA SER 24 1.386 -6.534 6.964 187 1HB SER 24 HB2 SER 24 0.826 -4.499 6.076 188 2HB SER 24 HB1 SER 24 -0.764 -4.995 6.647 189 HG SER 24 HG SER 24 -0.321 -2.896 7.337 190 H ASP 25 HN ASP 25 0.513 -5.343 10.152 191 HA ASP 25 HA ASP 25 2.734 -3.714 10.624 192 1HB ASP 25 HB2 ASP 25 0.779 -3.657 12.076 193 2HB ASP 25 HB1 ASP 25 1.108 -5.305 12.603 194 H GLY 26 HN GLY 26 2.442 -7.065 10.498 195 1HA GLY 26 HA2 GLY 26 4.643 -7.822 12.119 196 2HA GLY 26 HA1 GLY 26 3.913 -8.803 10.854 197 H LEU 27 HN LEU 27 4.318 -6.780 8.807 198 HA LEU 27 HA LEU 27 7.135 -7.307 8.271 199 1HB LEU 27 HB2 LEU 27 4.767 -6.564 6.577 200 2HB LEU 27 HB1 LEU 27 6.398 -6.442 5.964 201 HG LEU 27 HG LEU 27 5.927 -9.044 7.138 202 1HD1 LEU 27 HD11 LEU 27 3.594 -8.316 6.321 203 2HD1 LEU 27 HD12 LEU 27 4.219 -9.885 5.807 204 3HD1 LEU 27 HD13 LEU 27 4.268 -8.510 4.703 205 1HD2 LEU 27 HD21 LEU 27 7.726 -8.989 5.731 206 2HD2 LEU 27 HD22 LEU 27 6.953 -7.876 4.603 207 3HD2 LEU 27 HD23 LEU 27 6.490 -9.578 4.621 208 H LEU 28 HN LEU 28 7.537 -5.565 9.976 209 HA LEU 28 HA LEU 28 6.918 -2.865 9.482 210 1HB LEU 28 HB2 LEU 28 8.312 -4.318 11.438 211 2HB LEU 28 HB1 LEU 28 9.470 -3.167 10.798 212 HG LEU 28 HG LEU 28 7.123 -1.693 11.214 213 1HD1 LEU 28 HD11 LEU 28 7.394 -2.440 13.892 214 2HD1 LEU 28 HD12 LEU 28 7.217 -3.947 12.993 215 3HD1 LEU 28 HD13 LEU 28 5.997 -2.683 12.844 216 1HD2 LEU 28 HD21 LEU 28 8.547 -0.803 13.168 217 2HD2 LEU 28 HD22 LEU 28 9.170 -0.647 11.525 218 3HD2 LEU 28 HD23 LEU 28 9.777 -1.924 12.580 219 H PHE 29 HN PHE 29 7.575 -1.591 7.892 220 HA PHE 29 HA PHE 29 10.204 -2.125 6.676 221 1HB PHE 29 HB2 PHE 29 7.984 -2.638 5.362 222 2HB PHE 29 HB1 PHE 29 7.970 -0.898 5.109 223 HD1 PHE 29 HD1 PHE 29 11.080 -2.788 5.329 224 HD2 PHE 29 HD2 PHE 29 8.200 -1.083 2.702 225 HE1 PHE 29 HE1 PHE 29 12.637 -3.058 3.454 226 HE2 PHE 29 HE2 PHE 29 9.755 -1.355 0.815 227 HZ PHE 29 HZ PHE 29 11.897 -2.335 1.121 228 H MET 30 HN MET 30 11.396 -0.559 7.657 229 HA MET 30 HA MET 30 10.608 2.197 7.065 230 1HB MET 30 HB2 MET 30 10.599 1.148 9.620 231 2HB MET 30 HB1 MET 30 12.014 2.191 9.491 232 1HG MET 30 HG2 MET 30 9.645 3.294 8.225 233 2HG MET 30 HG1 MET 30 9.461 3.031 9.951 234 1HE MET 30 HE1 MET 30 10.908 4.728 7.119 235 2HE MET 30 HE2 MET 30 12.011 5.964 7.726 236 3HE MET 30 HE3 MET 30 10.267 6.206 7.840 237 H SER 31 HN SER 31 12.308 3.714 7.480 238 HA SER 31 HA SER 31 14.918 2.701 6.609 239 1HB SER 31 HB2 SER 31 12.929 4.246 5.257 240 2HB SER 31 HB1 SER 31 14.376 5.234 5.463 241 HG SER 31 HG SER 31 15.542 3.821 4.276 242 H GLU 32 HN GLU 32 13.385 5.824 7.348 243 HA GLU 32 HA GLU 32 15.685 6.813 8.710 244 1HB GLU 32 HB2 GLU 32 14.489 8.807 9.039 245 2HB GLU 32 HB1 GLU 32 13.864 8.194 7.512 246 1HG GLU 32 HG2 GLU 32 11.839 8.373 8.328 247 2HG GLU 32 HG1 GLU 32 12.221 7.112 9.499 248 H SER 33 HN SER 33 13.130 4.748 9.554 249 HA SER 33 HA SER 33 14.053 4.589 12.279 250 1HB SER 33 HB2 SER 33 11.547 6.085 11.629 251 2HB SER 33 HB1 SER 33 11.654 5.197 13.150 252 HG SER 33 HG SER 33 12.906 6.694 13.903 253 H GLU 34 HN GLU 34 11.031 3.808 12.822 254 HA GLU 34 HA GLU 34 11.017 1.247 11.417 255 1HB GLU 34 HB2 GLU 34 10.849 -0.049 13.327 256 2HB GLU 34 HB1 GLU 34 11.964 1.195 13.863 257 1HG GLU 34 HG2 GLU 34 9.743 2.357 14.672 258 2HG GLU 34 HG1 GLU 34 9.145 0.699 14.651 259 H TYR 35 HN TYR 35 9.185 1.354 10.203 260 HA TYR 35 HA TYR 35 6.719 2.233 11.556 261 1HB TYR 35 HB2 TYR 35 7.838 3.256 8.936 262 2HB TYR 35 HB1 TYR 35 6.116 3.388 9.343 263 HD1 TYR 35 HD1 TYR 35 8.697 5.436 9.017 264 HD2 TYR 35 HD2 TYR 35 6.169 4.080 12.145 265 HE1 TYR 35 HE1 TYR 35 9.123 7.519 10.265 266 HE2 TYR 35 HE2 TYR 35 6.561 6.136 13.405 267 HH TYR 35 HH TYR 35 7.769 8.033 13.506 268 HA PRO 36 HA PRO 36 5.206 -1.363 9.305 269 1HB PRO 36 HB2 PRO 36 3.092 -1.692 11.079 270 2HB PRO 36 HB1 PRO 36 4.702 -2.379 11.296 271 1HG PRO 36 HG2 PRO 36 3.444 -0.371 12.879 272 2HG PRO 36 HG1 PRO 36 5.094 -0.991 13.035 273 1HD PRO 36 HD2 PRO 36 4.117 1.480 11.712 274 2HD PRO 36 HD1 PRO 36 5.695 1.140 12.456 275 H PHE 37 HN PHE 37 3.429 -1.768 8.019 276 HA PHE 37 HA PHE 37 2.235 0.453 6.853 277 1HB PHE 37 HB2 PHE 37 1.134 -2.337 6.647 278 2HB PHE 37 HB1 PHE 37 1.132 -1.064 5.426 279 HD1 PHE 37 HD1 PHE 37 3.934 -0.121 5.587 280 HD2 PHE 37 HD2 PHE 37 2.311 -4.051 5.664 281 HE1 PHE 37 HE1 PHE 37 6.026 -1.005 4.640 282 HE2 PHE 37 HE2 PHE 37 4.380 -4.940 4.729 283 HZ PHE 37 HZ PHE 37 6.358 -3.315 4.339 284 H GLU 38 HN GLU 38 0.827 1.727 7.588 285 HA GLU 38 HA GLU 38 -1.266 0.810 9.453 286 1HB GLU 38 HB2 GLU 38 0.056 2.602 10.376 287 2HB GLU 38 HB1 GLU 38 -0.127 3.556 8.911 288 1HG GLU 38 HG2 GLU 38 -2.158 4.316 9.496 289 2HG GLU 38 HG1 GLU 38 -2.639 2.786 10.228 290 H VAL 39 HN VAL 39 -3.242 0.579 8.704 291 HA VAL 39 HA VAL 39 -3.865 1.330 6.025 292 HB VAL 39 HB VAL 39 -5.477 -0.153 6.121 293 1HG1 VAL 39 HG11 VAL 39 -3.673 -1.084 7.694 294 2HG1 VAL 39 HG12 VAL 39 -5.264 -1.845 7.732 295 3HG1 VAL 39 HG13 VAL 39 -4.799 -0.712 8.998 296 1HG2 VAL 39 HG21 VAL 39 -6.405 1.175 8.667 297 2HG2 VAL 39 HG22 VAL 39 -7.241 -0.173 7.894 298 3HG2 VAL 39 HG23 VAL 39 -7.071 1.361 7.044 299 H PHE 40 HN PHE 40 -5.478 2.758 5.303 300 HA PHE 40 HA PHE 40 -6.851 4.377 7.195 301 1HB PHE 40 HB2 PHE 40 -5.970 6.569 6.299 302 2HB PHE 40 HB1 PHE 40 -4.907 5.667 7.362 303 HD1 PHE 40 HD1 PHE 40 -4.989 4.098 4.245 304 HD2 PHE 40 HD2 PHE 40 -3.312 7.462 6.237 305 HE1 PHE 40 HE1 PHE 40 -3.209 4.207 2.554 306 HE2 PHE 40 HE2 PHE 40 -1.533 7.574 4.547 307 HZ PHE 40 HZ PHE 40 -1.446 6.086 2.752 308 H LEU 41 HN LEU 41 -8.641 5.267 6.469 309 HA LEU 41 HA LEU 41 -9.672 4.477 3.925 310 1HB LEU 41 HB2 LEU 41 -11.175 4.410 5.724 311 2HB LEU 41 HB1 LEU 41 -10.699 5.991 6.301 312 HG LEU 41 HG LEU 41 -12.063 5.802 3.657 313 1HD1 LEU 41 HD11 LEU 41 -13.325 5.363 6.343 314 2HD1 LEU 41 HD12 LEU 41 -13.541 4.444 4.854 315 3HD1 LEU 41 HD13 LEU 41 -14.230 6.059 5.000 316 1HD2 LEU 41 HD21 LEU 41 -11.786 8.008 3.960 317 2HD2 LEU 41 HD22 LEU 41 -11.449 7.819 5.682 318 3HD2 LEU 41 HD23 LEU 41 -13.116 7.876 5.112 319 H TRP 42 HN TRP 42 -9.942 5.693 2.069 320 HA TRP 42 HA TRP 42 -9.337 8.561 2.240 321 1HB TRP 42 HB2 TRP 42 -7.980 6.458 0.660 322 2HB TRP 42 HB1 TRP 42 -8.157 8.060 -0.036 323 HD1 TRP 42 HD1 TRP 42 -6.921 6.477 3.233 324 HE1 TRP 42 HE1 TRP 42 -4.902 7.853 4.086 325 HE3 TRP 42 HE3 TRP 42 -6.869 10.124 -0.332 326 HZ2 TRP 42 HZ2 TRP 42 -3.498 10.192 3.338 327 HZ3 TRP 42 HZ3 TRP 42 -5.171 11.898 -0.200 328 HH2 TRP 42 HH2 TRP 42 -3.520 11.930 1.602 329 H GLU 43 HN GLU 43 -10.653 9.818 1.193 330 HA GLU 43 HA GLU 43 -12.702 8.753 -0.536 331 1HB GLU 43 HB2 GLU 43 -12.096 11.515 0.503 332 2HB GLU 43 HB1 GLU 43 -13.402 11.193 -0.630 333 1HG GLU 43 HG2 GLU 43 -14.728 10.677 1.059 334 2HG GLU 43 HG1 GLU 43 -13.656 9.341 1.488 335 H GLY 44 HN GLY 44 -9.568 9.943 -0.876 336 1HA GLY 44 HA2 GLY 44 -9.955 10.918 -3.605 337 2HA GLY 44 HA1 GLY 44 -8.449 10.939 -2.694 338 H SER 45 HN SER 45 -9.418 8.048 -2.014 339 HA SER 45 HA SER 45 -7.646 6.643 -3.661 340 1HB SER 45 HB2 SER 45 -8.178 5.690 -1.553 341 2HB SER 45 HB1 SER 45 -9.908 5.784 -1.862 342 HG SER 45 HG SER 45 -9.738 4.125 -3.311 343 H ALA 46 HN ALA 46 -8.675 4.507 -4.796 344 HA ALA 46 HA ALA 46 -10.004 3.572 -6.420 345 1HB ALA 46 HB1 ALA 46 -11.778 5.671 -7.169 346 2HB ALA 46 HB2 ALA 46 -11.709 5.591 -5.409 347 3HB ALA 46 HB3 ALA 46 -12.140 4.156 -6.340 348 HA PRO 47 HA PRO 47 -8.243 5.331 -10.109 349 1HB PRO 47 HB2 PRO 47 -10.391 4.556 -11.880 350 2HB PRO 47 HB1 PRO 47 -8.824 3.778 -11.649 351 1HG PRO 47 HG2 PRO 47 -11.204 2.652 -10.907 352 2HG PRO 47 HG1 PRO 47 -9.652 2.277 -10.137 353 1HD PRO 47 HD2 PRO 47 -11.829 4.116 -9.218 354 2HD PRO 47 HD1 PRO 47 -10.841 2.980 -8.276 355 HA PRO 48 HA PRO 48 -10.697 9.117 -10.664 356 1HB PRO 48 HB2 PRO 48 -8.831 10.842 -9.965 357 2HB PRO 48 HB1 PRO 48 -9.514 9.768 -8.738 358 1HG PRO 48 HG2 PRO 48 -6.884 9.626 -10.120 359 2HG PRO 48 HG1 PRO 48 -7.301 9.184 -8.464 360 1HD PRO 48 HD2 PRO 48 -7.096 7.453 -10.710 361 2HD PRO 48 HD1 PRO 48 -7.662 7.039 -9.080 362 H VAL 49 HN VAL 49 -8.081 10.945 -11.319 363 HA VAL 49 HA VAL 49 -8.510 10.864 -14.175 364 HB VAL 49 HB VAL 49 -6.918 12.628 -12.329 365 1HG1 VAL 49 HG11 VAL 49 -6.861 13.413 -15.142 366 2HG1 VAL 49 HG12 VAL 49 -5.941 11.951 -14.791 367 3HG1 VAL 49 HG13 VAL 49 -5.583 13.443 -13.927 368 1HG2 VAL 49 HG21 VAL 49 -9.150 13.124 -14.292 369 2HG2 VAL 49 HG22 VAL 49 -8.312 14.388 -13.392 370 3HG2 VAL 49 HG23 VAL 49 -9.249 13.165 -12.532 371 H THR 50 HN THR 50 -6.110 10.010 -11.784 372 HA THR 50 HA THR 50 -4.884 8.107 -13.505 373 HB THR 50 HB THR 50 -2.581 9.506 -12.844 374 HG1 THR 50 HG1 THR 50 -3.683 11.493 -14.255 375 1HG2 THR 50 HG21 THR 50 -4.129 9.010 -15.338 376 2HG2 THR 50 HG22 THR 50 -2.511 8.472 -14.888 377 3HG2 THR 50 HG23 THR 50 -2.773 10.136 -15.411 378 H HIS 51 HN HIS 51 -3.558 6.663 -12.353 379 HA HIS 51 HA HIS 51 -4.077 6.478 -9.585 380 1HB HIS 51 HB2 HIS 51 -1.836 5.111 -11.095 381 2HB HIS 51 HB1 HIS 51 -2.582 4.579 -9.590 382 HD1 HIS 51 HD1 HIS 51 -5.534 4.737 -10.313 383 HD2 HIS 51 HD2 HIS 51 -2.631 3.205 -12.861 384 HE1 HIS 51 HE1 HIS 51 -6.765 3.224 -11.901 385 HE2 HIS 51 HE2 HIS 51 -4.986 2.294 -13.424 386 H GLU 52 HN GLU 52 -3.485 8.540 -8.824 387 HA GLU 52 HA GLU 52 -1.126 8.772 -7.444 388 1HB GLU 52 HB2 GLU 52 0.156 10.419 -8.753 389 2HB GLU 52 HB1 GLU 52 0.037 8.878 -9.590 390 1HG GLU 52 HG2 GLU 52 -2.138 10.274 -10.533 391 2HG GLU 52 HG1 GLU 52 -0.891 11.512 -10.383 392 H ILE 53 HN ILE 53 -4.036 9.862 -8.580 393 HA ILE 53 HA ILE 53 -4.118 12.586 -8.085 394 HB ILE 53 HB ILE 53 -5.999 10.512 -8.518 395 1HG1 ILE 53 HG12 ILE 53 -5.663 12.668 -9.769 396 2HG1 ILE 53 HG11 ILE 53 -7.343 12.265 -9.434 397 1HG2 ILE 53 HG21 ILE 53 -7.000 12.387 -6.396 398 2HG2 ILE 53 HG22 ILE 53 -6.451 10.744 -6.065 399 3HG2 ILE 53 HG23 ILE 53 -7.840 11.014 -7.118 400 1HD1 ILE 53 HD11 ILE 53 -7.652 14.131 -8.274 401 2HD1 ILE 53 HD12 ILE 53 -6.109 14.670 -8.936 402 3HD1 ILE 53 HD13 ILE 53 -6.167 13.900 -7.350 403 H VAL 54 HN VAL 54 -4.409 9.900 -5.841 404 HA VAL 54 HA VAL 54 -5.233 11.157 -3.562 405 HB VAL 54 HB VAL 54 -3.344 8.904 -4.035 406 1HG1 VAL 54 HG11 VAL 54 -3.175 8.531 -1.611 407 2HG1 VAL 54 HG12 VAL 54 -3.951 10.091 -1.338 408 3HG1 VAL 54 HG13 VAL 54 -2.378 10.014 -2.130 409 1HG2 VAL 54 HG21 VAL 54 -5.167 7.808 -2.558 410 2HG2 VAL 54 HG22 VAL 54 -5.547 8.211 -4.232 411 3HG2 VAL 54 HG23 VAL 54 -6.099 9.259 -2.926 412 H LEU 55 HN LEU 55 -2.150 11.350 -5.167 413 HA LEU 55 HA LEU 55 -0.645 12.527 -3.102 414 1HB LEU 55 HB2 LEU 55 -0.338 12.704 -6.099 415 2HB LEU 55 HB1 LEU 55 0.836 13.314 -4.961 416 HG LEU 55 HG LEU 55 0.059 10.431 -4.811 417 1HD1 LEU 55 HD11 LEU 55 0.824 9.942 -6.826 418 2HD1 LEU 55 HD12 LEU 55 2.383 10.645 -6.392 419 3HD1 LEU 55 HD13 LEU 55 1.140 11.646 -7.143 420 1HD2 LEU 55 HD21 LEU 55 2.267 12.156 -3.902 421 2HD2 LEU 55 HD22 LEU 55 2.727 10.548 -4.459 422 3HD2 LEU 55 HD23 LEU 55 1.557 10.732 -3.150 423 H GLN 56 HN GLN 56 -2.217 14.071 -5.912 424 HA GLN 56 HA GLN 56 -1.657 16.701 -5.361 425 1HB GLN 56 HB2 GLN 56 -4.432 16.507 -6.121 426 2HB GLN 56 HB1 GLN 56 -3.073 17.121 -7.035 427 1HG GLN 56 HG2 GLN 56 -3.877 14.233 -6.843 428 2HG GLN 56 HG1 GLN 56 -4.251 15.311 -8.182 429 1HE2 GLN 56 HE21 GLN 56 -3.015 13.062 -8.782 430 2HE2 GLN 56 HE22 GLN 56 -1.357 13.333 -9.160 431 H GLN 57 HN GLN 57 -3.818 14.579 -3.720 432 HA GLN 57 HA GLN 57 -5.174 16.684 -2.284 433 1HB GLN 57 HB2 GLN 57 -5.367 14.000 -1.143 434 2HB GLN 57 HB1 GLN 57 -6.633 15.104 -1.652 435 1HG GLN 57 HG2 GLN 57 -5.392 14.153 -3.993 436 2HG GLN 57 HG1 GLN 57 -5.660 12.762 -2.944 437 1HE2 GLN 57 HE21 GLN 57 -7.214 11.963 -4.380 438 2HE2 GLN 57 HE22 GLN 57 -8.799 12.645 -4.472 439 H THR 58 HN THR 58 -2.524 14.458 -1.696 440 HA THR 58 HA THR 58 -2.252 15.406 1.052 441 HB THR 58 HB THR 58 -0.242 13.528 -0.037 442 HG1 THR 58 HG1 THR 58 -2.985 13.046 -0.111 443 1HG2 THR 58 HG21 THR 58 -0.718 12.408 2.135 444 2HG2 THR 58 HG22 THR 58 -1.915 13.659 2.472 445 3HG2 THR 58 HG23 THR 58 -0.213 14.090 2.304 446 H GLY 59 HN GLY 59 0.365 14.583 -1.194 447 1HA GLY 59 HA2 GLY 59 1.497 17.265 -0.681 448 2HA GLY 59 HA1 GLY 59 2.476 15.809 -0.753 449 H HIS 60 HN HIS 60 0.655 14.938 -3.081 450 HA HIS 60 HA HIS 60 0.579 15.091 -5.358 451 1HB HIS 60 HB2 HIS 60 0.051 17.472 -5.027 452 2HB HIS 60 HB1 HIS 60 1.764 17.837 -4.922 453 HD1 HIS 60 HD1 HIS 60 -0.941 17.926 -7.224 454 HD2 HIS 60 HD2 HIS 60 3.110 17.062 -7.520 455 HE1 HIS 60 HE1 HIS 60 -0.367 18.223 -9.654 456 HE2 HIS 60 HE2 HIS 60 2.075 17.628 -9.820 457 H GLY 61 HN GLY 61 2.077 13.394 -5.550 458 1HA GLY 61 HA2 GLY 61 4.886 13.771 -5.378 459 2HA GLY 61 HA1 GLY 61 4.067 12.370 -6.046 460 H GLN 62 HN GLN 62 2.650 14.388 -7.922 461 HA GLN 62 HA GLN 62 4.358 13.976 -10.134 462 1HB GLN 62 HB2 GLN 62 2.510 16.208 -10.493 463 2HB GLN 62 HB1 GLN 62 2.624 14.694 -11.373 464 1HG GLN 62 HG2 GLN 62 1.225 15.084 -8.735 465 2HG GLN 62 HG1 GLN 62 0.446 14.988 -10.312 466 1HE2 GLN 62 HE21 GLN 62 -0.044 13.319 -8.080 467 2HE2 GLN 62 HE22 GLN 62 0.380 11.708 -8.528 468 H ASP 63 HN ASP 63 4.624 16.113 -7.616 469 HA ASP 63 HA ASP 63 6.560 17.732 -9.089 470 1HB ASP 63 HB2 ASP 63 4.026 18.698 -8.384 471 2HB ASP 63 HB1 ASP 63 5.124 19.372 -7.183 472 H ALA 64 HN ALA 64 5.565 16.063 -6.326 473 HA ALA 64 HA ALA 64 7.304 17.326 -4.416 474 1HB ALA 64 HB1 ALA 64 5.128 16.033 -3.975 475 2HB ALA 64 HB2 ALA 64 6.483 15.794 -2.871 476 3HB ALA 64 HB3 ALA 64 6.131 14.588 -4.109 477 HA PRO 65 HA PRO 65 11.203 15.339 -4.867 478 1HB PRO 65 HB2 PRO 65 11.436 14.071 -2.390 479 2HB PRO 65 HB1 PRO 65 11.973 15.706 -2.783 480 1HG PRO 65 HG2 PRO 65 9.476 14.800 -1.448 481 2HG PRO 65 HG1 PRO 65 10.441 16.253 -1.153 482 1HD PRO 65 HD2 PRO 65 8.122 16.363 -2.469 483 2HD PRO 65 HD1 PRO 65 9.499 17.373 -2.948 484 H PHE 66 HN PHE 66 8.424 13.463 -4.140 485 HA PHE 66 HA PHE 66 9.762 11.205 -5.342 486 1HB PHE 66 HB2 PHE 66 9.399 11.265 -2.632 487 2HB PHE 66 HB1 PHE 66 8.097 10.251 -3.221 488 HD1 PHE 66 HD1 PHE 66 11.689 10.617 -2.890 489 HD2 PHE 66 HD2 PHE 66 8.551 8.145 -4.384 490 HE1 PHE 66 HE1 PHE 66 13.292 8.774 -3.187 491 HE2 PHE 66 HE2 PHE 66 10.157 6.299 -4.677 492 HZ PHE 66 HZ PHE 66 12.526 6.611 -4.079 493 H LYS 67 HN LYS 67 8.033 9.300 -5.514 494 HA LYS 67 HA LYS 67 5.671 10.448 -6.784 495 1HB LYS 67 HB2 LYS 67 7.751 8.620 -7.879 496 2HB LYS 67 HB1 LYS 67 6.093 8.423 -8.427 497 1HG LYS 67 HG2 LYS 67 6.333 11.063 -8.765 498 2HG LYS 67 HG1 LYS 67 8.023 10.593 -8.961 499 1HD LYS 67 HD2 LYS 67 7.258 8.882 -10.626 500 2HD LYS 67 HD1 LYS 67 5.647 9.596 -10.525 501 1HE LYS 67 HE2 LYS 67 8.063 11.253 -11.170 502 2HE LYS 67 HE1 LYS 67 7.197 10.364 -12.422 503 1HZ LYS 67 HZ1 LYS 67 5.828 12.244 -10.592 504 2HZ LYS 67 HZ2 LYS 67 5.264 11.612 -12.056 505 3HZ LYS 67 HZ3 LYS 67 6.516 12.750 -12.052 506 H VAL 68 HN VAL 68 4.356 8.468 -7.672 507 HA VAL 68 HA VAL 68 3.576 6.951 -5.302 508 HB VAL 68 HB VAL 68 1.708 8.048 -6.086 509 1HG1 VAL 68 HG11 VAL 68 2.386 9.169 -7.972 510 2HG1 VAL 68 HG12 VAL 68 1.241 8.019 -8.663 511 3HG1 VAL 68 HG13 VAL 68 2.974 7.707 -8.762 512 1HG2 VAL 68 HG21 VAL 68 0.907 6.047 -7.961 513 2HG2 VAL 68 HG22 VAL 68 0.382 6.274 -6.292 514 3HG2 VAL 68 HG23 VAL 68 1.794 5.280 -6.645 515 H VAL 69 HN VAL 69 3.924 4.829 -5.131 516 HA VAL 69 HA VAL 69 4.536 3.315 -7.594 517 HB VAL 69 HB VAL 69 5.237 1.680 -5.433 518 1HG1 VAL 69 HG11 VAL 69 7.528 2.024 -6.281 519 2HG1 VAL 69 HG12 VAL 69 6.945 3.380 -7.248 520 3HG1 VAL 69 HG13 VAL 69 6.361 1.747 -7.574 521 1HG2 VAL 69 HG21 VAL 69 6.808 4.137 -4.976 522 2HG2 VAL 69 HG22 VAL 69 6.347 2.856 -3.854 523 3HG2 VAL 69 HG23 VAL 69 5.182 4.101 -4.298 524 H ASP 70 HN ASP 70 4.025 0.765 -6.643 525 HA ASP 70 HA ASP 70 1.152 0.950 -6.095 526 1HB ASP 70 HB2 ASP 70 2.671 -0.829 -7.957 527 2HB ASP 70 HB1 ASP 70 1.146 -1.382 -7.277 528 H ILE 71 HN ILE 71 0.178 -0.896 -5.079 529 HA ILE 71 HA ILE 71 0.983 -1.492 -2.571 530 HB ILE 71 HB ILE 71 -1.106 -2.125 -4.040 531 1HG1 ILE 71 HG12 ILE 71 -1.711 -2.409 -1.897 532 2HG1 ILE 71 HG11 ILE 71 -1.505 -4.130 -2.259 533 1HG2 ILE 71 HG21 ILE 71 -0.274 -3.743 -5.457 534 2HG2 ILE 71 HG22 ILE 71 -1.191 -4.655 -4.259 535 3HG2 ILE 71 HG23 ILE 71 0.567 -4.588 -4.158 536 1HD1 ILE 71 HD11 ILE 71 -0.321 -3.990 -0.323 537 2HD1 ILE 71 HD12 ILE 71 0.149 -2.308 -0.584 538 3HD1 ILE 71 HD13 ILE 71 0.972 -3.599 -1.459 539 H ASP 72 HN ASP 72 1.758 -3.323 -5.471 540 HA ASP 72 HA ASP 72 3.352 -5.215 -4.004 541 1HB ASP 72 HB2 ASP 72 2.314 -6.360 -5.669 542 2HB ASP 72 HB1 ASP 72 2.243 -4.959 -6.730 543 H SER 73 HN SER 73 3.828 -2.262 -5.720 544 HA SER 73 HA SER 73 6.590 -2.753 -6.334 545 1HB SER 73 HB2 SER 73 5.641 0.040 -6.273 546 2HB SER 73 HB1 SER 73 6.566 -0.815 -7.504 547 HG SER 73 HG SER 73 4.505 -0.387 -8.283 548 H PHE 74 HN PHE 74 4.993 -0.426 -4.025 549 HA PHE 74 HA PHE 74 7.478 0.273 -2.867 550 1HB PHE 74 HB2 PHE 74 5.466 1.635 -2.494 551 2HB PHE 74 HB1 PHE 74 4.755 0.323 -1.556 552 HD1 PHE 74 HD1 PHE 74 7.948 2.257 -1.642 553 HD2 PHE 74 HD2 PHE 74 4.873 0.509 0.723 554 HE1 PHE 74 HE1 PHE 74 8.999 3.159 0.388 555 HE2 PHE 74 HE2 PHE 74 5.922 1.406 2.758 556 HZ PHE 74 HZ PHE 74 8.073 2.611 2.599 557 H PHE 75 HN PHE 75 5.445 -2.446 -2.551 558 HA PHE 75 HA PHE 75 6.952 -3.384 -0.225 559 1HB PHE 75 HB2 PHE 75 4.360 -4.475 -1.339 560 2HB PHE 75 HB1 PHE 75 5.133 -4.933 0.180 561 HD1 PHE 75 HD1 PHE 75 3.864 -1.942 -1.605 562 HD2 PHE 75 HD2 PHE 75 4.458 -3.860 2.140 563 HE1 PHE 75 HE1 PHE 75 2.703 -0.094 -0.516 564 HE2 PHE 75 HE2 PHE 75 3.284 -2.009 3.294 565 HZ PHE 75 HZ PHE 75 2.396 -0.120 1.952 566 H SER 76 HN SER 76 7.253 -3.403 -3.373 567 HA SER 76 HA SER 76 7.737 -6.163 -3.982 568 1HB SER 76 HB2 SER 76 7.496 -4.899 -5.955 569 2HB SER 76 HB1 SER 76 8.431 -3.549 -5.315 570 HG SER 76 HG SER 76 9.350 -5.247 -6.938 571 H ARG 77 HN ARG 77 9.556 -3.322 -3.112 572 HA ARG 77 HA ARG 77 12.107 -4.490 -2.849 573 1HB ARG 77 HB2 ARG 77 12.091 -2.498 -0.955 574 2HB ARG 77 HB1 ARG 77 12.447 -2.257 -2.659 575 1HG ARG 77 HG2 ARG 77 10.364 -1.350 -3.103 576 2HG ARG 77 HG1 ARG 77 9.621 -2.126 -1.701 577 1HD ARG 77 HD2 ARG 77 9.766 -0.017 -0.886 578 2HD ARG 77 HD1 ARG 77 11.369 -0.592 -0.421 579 HE ARG 77 HE ARG 77 10.731 1.300 -2.543 580 1HH1 ARG 77 HH11 ARG 77 13.130 -0.631 -0.910 581 2HH1 ARG 77 HH12 ARG 77 14.468 0.287 -1.519 582 1HH2 ARG 77 HH21 ARG 77 12.485 2.513 -3.345 583 2HH2 ARG 77 HH22 ARG 77 14.101 2.073 -2.901 584 H ALA 78 HN ALA 78 9.222 -4.722 -1.079 585 HA ALA 78 HA ALA 78 10.429 -5.657 1.365 586 1HB ALA 78 HB1 ALA 78 8.416 -5.317 2.324 587 2HB ALA 78 HB2 ALA 78 7.551 -6.077 0.984 588 3HB ALA 78 HB3 ALA 78 8.061 -4.391 0.864 589 H THR 79 HN THR 79 10.836 -7.724 1.714 590 HA THR 79 HA THR 79 10.843 -10.013 1.533 591 HB THR 79 HB THR 79 8.651 -10.108 -0.469 592 HG1 THR 79 HG1 THR 79 7.126 -9.464 0.947 593 1HG2 THR 79 HG21 THR 79 8.640 -12.229 0.203 594 2HG2 THR 79 HG22 THR 79 8.241 -11.715 1.843 595 3HG2 THR 79 HG23 THR 79 9.928 -11.871 1.354 596 H THR 80 HN THR 80 11.453 -7.828 -0.831 597 HA THR 80 HA THR 80 11.811 -9.401 -3.129 598 HB THR 80 HB THR 80 11.877 -6.831 -2.919 599 HG1 THR 80 HG1 THR 80 13.882 -7.169 -4.600 600 1HG2 THR 80 HG21 THR 80 14.837 -7.228 -2.674 601 2HG2 THR 80 HG22 THR 80 13.833 -7.007 -1.240 602 3HG2 THR 80 HG23 THR 80 13.894 -5.751 -2.477 603 HA PRO 81 HA PRO 81 15.253 -12.055 -2.351 604 1HB PRO 81 HB2 PRO 81 16.102 -11.043 -5.018 605 2HB PRO 81 HB1 PRO 81 16.026 -12.702 -4.401 606 1HG PRO 81 HG2 PRO 81 14.107 -11.914 -5.993 607 2HG PRO 81 HG1 PRO 81 13.698 -12.771 -4.490 608 1HD PRO 81 HD2 PRO 81 13.591 -9.848 -5.098 609 2HD PRO 81 HD1 PRO 81 12.391 -10.856 -4.267 610 H GLN 82 HN GLN 82 16.441 -11.311 -0.804 611 HA GLN 82 HA GLN 82 17.838 -8.914 -0.695 612 1HB GLN 82 HB2 GLN 82 18.907 -11.359 0.648 613 2HB GLN 82 HB1 GLN 82 18.804 -9.715 1.241 614 1HG GLN 82 HG2 GLN 82 16.873 -10.116 2.241 615 2HG GLN 82 HG1 GLN 82 16.180 -10.752 0.749 616 1HE2 GLN 82 HE21 GLN 82 17.037 -13.006 0.190 617 2HE2 GLN 82 HE22 GLN 82 17.077 -14.140 1.492 618 H ASP 83 HN ASP 83 18.979 -12.159 -1.484 619 HA ASP 83 HA ASP 83 20.577 -11.421 -3.601 620 1HB ASP 83 HB2 ASP 83 21.769 -10.616 -1.200 621 2HB ASP 83 HB1 ASP 83 22.619 -12.093 -1.661 622 H TRP 84 HN TRP 84 19.972 -13.646 -0.973 623 HA TRP 84 HA TRP 84 21.244 -15.739 -2.544 624 1HB TRP 84 HB2 TRP 84 20.785 -17.007 -0.242 625 2HB TRP 84 HB1 TRP 84 22.203 -16.007 -0.521 626 HD1 TRP 84 HD1 TRP 84 18.733 -15.774 1.182 627 HE1 TRP 84 HE1 TRP 84 18.917 -13.976 3.029 628 HE3 TRP 84 HE3 TRP 84 23.442 -14.160 0.211 629 HZ2 TRP 84 HZ2 TRP 84 20.854 -12.098 3.936 630 HZ3 TRP 84 HZ3 TRP 84 24.396 -12.386 1.567 631 HH2 TRP 84 HH2 TRP 84 23.142 -11.358 3.405 632 H TYR 85 HN TYR 85 18.195 -14.990 -0.886 633 HA TYR 85 HA TYR 85 16.377 -16.545 -0.684 634 1HB TYR 85 HB2 TYR 85 15.043 -15.925 -2.820 635 2HB TYR 85 HB1 TYR 85 15.533 -14.652 -1.732 636 HD1 TYR 85 HD1 TYR 85 18.006 -13.825 -2.267 637 HD2 TYR 85 HD2 TYR 85 15.275 -15.488 -4.997 638 HE1 TYR 85 HE1 TYR 85 19.191 -12.690 -4.096 639 HE2 TYR 85 HE2 TYR 85 16.424 -14.375 -6.863 640 HH TYR 85 HH TYR 85 19.324 -12.392 -6.311 641 H GLU 86 HN GLU 86 15.661 -17.056 -3.868 642 HA GLU 86 HA GLU 86 17.204 -19.442 -4.320 643 1HB GLU 86 HB2 GLU 86 14.476 -20.248 -4.650 644 2HB GLU 86 HB1 GLU 86 15.721 -20.981 -3.650 645 1HG GLU 86 HG2 GLU 86 15.082 -19.024 -2.019 646 2HG GLU 86 HG1 GLU 86 13.576 -19.070 -2.930 647 H ASP 87 HN ASP 87 17.247 -19.920 -6.518 648 HA ASP 87 HA ASP 87 16.828 -17.959 -8.349 649 1HB ASP 87 HB2 ASP 87 16.773 -20.955 -8.676 650 2HB ASP 87 HB1 ASP 87 16.577 -19.885 -10.061 651 H GLU 88 HN GLU 88 14.431 -20.075 -6.993 652 HA GLU 88 HA GLU 88 12.400 -19.277 -8.902 653 1HB GLU 88 HB2 GLU 88 10.903 -20.705 -7.569 654 2HB GLU 88 HB1 GLU 88 12.352 -21.566 -8.065 655 1HG GLU 88 HG2 GLU 88 13.220 -21.608 -5.923 656 2HG GLU 88 HG1 GLU 88 12.228 -20.250 -5.388 657 H GLU 89 HN GLU 89 13.286 -18.726 -5.546 658 HA GLU 89 HA GLU 89 11.106 -17.249 -4.685 659 1HB GLU 89 HB2 GLU 89 13.730 -17.775 -3.739 660 2HB GLU 89 HB1 GLU 89 13.401 -16.052 -3.574 661 1HG GLU 89 HG2 GLU 89 11.254 -16.683 -2.430 662 2HG GLU 89 HG1 GLU 89 11.835 -18.348 -2.420 663 H ASN 90 HN ASN 90 13.454 -16.326 -7.030 664 HA ASN 90 HA ASN 90 13.577 -13.610 -6.464 665 1HB ASN 90 HB2 ASN 90 13.176 -14.397 -9.349 666 2HB ASN 90 HB1 ASN 90 14.327 -13.259 -8.662 667 1HD2 ASN 90 HD21 ASN 90 14.877 -15.476 -6.645 668 2HD2 ASN 90 HD22 ASN 90 16.029 -16.463 -7.432 669 H ALA 91 HN ALA 91 11.415 -15.289 -8.679 670 HA ALA 91 HA ALA 91 9.448 -13.174 -8.527 671 1HB ALA 91 HB1 ALA 91 9.488 -13.920 -10.690 672 2HB ALA 91 HB2 ALA 91 8.204 -14.942 -10.044 673 3HB ALA 91 HB3 ALA 91 9.836 -15.585 -10.226 674 H VAL 92 HN VAL 92 10.179 -16.093 -6.865 675 HA VAL 92 HA VAL 92 7.423 -16.672 -6.174 676 HB VAL 92 HB VAL 92 10.047 -17.919 -5.404 677 1HG1 VAL 92 HG11 VAL 92 8.658 -19.547 -4.049 678 2HG1 VAL 92 HG12 VAL 92 7.374 -18.339 -4.092 679 3HG1 VAL 92 HG13 VAL 92 8.919 -17.957 -3.332 680 1HG2 VAL 92 HG21 VAL 92 9.005 -18.563 -7.529 681 2HG2 VAL 92 HG22 VAL 92 7.547 -19.043 -6.660 682 3HG2 VAL 92 HG23 VAL 92 9.060 -19.909 -6.391 683 H VAL 93 HN VAL 93 10.344 -15.419 -4.590 684 HA VAL 93 HA VAL 93 9.171 -15.000 -2.093 685 HB VAL 93 HB VAL 93 11.675 -14.709 -2.923 686 1HG1 VAL 93 HG11 VAL 93 11.618 -12.839 -4.261 687 2HG1 VAL 93 HG12 VAL 93 12.165 -12.184 -2.718 688 3HG1 VAL 93 HG13 VAL 93 10.482 -11.990 -3.210 689 1HG2 VAL 93 HG21 VAL 93 10.583 -14.609 -0.560 690 2HG2 VAL 93 HG22 VAL 93 10.872 -12.874 -0.713 691 3HG2 VAL 93 HG23 VAL 93 12.223 -14.008 -0.813 692 H ALA 94 HN ALA 94 9.108 -13.227 -5.108 693 HA ALA 94 HA ALA 94 7.887 -10.847 -4.094 694 1HB ALA 94 HB1 ALA 94 7.124 -11.030 -6.739 695 2HB ALA 94 HB2 ALA 94 8.634 -11.939 -6.696 696 3HB ALA 94 HB3 ALA 94 8.596 -10.266 -6.140 697 H LYS 95 HN LYS 95 6.728 -13.991 -5.161 698 HA LYS 95 HA LYS 95 4.036 -13.423 -5.596 699 1HB LYS 95 HB2 LYS 95 5.125 -15.898 -4.234 700 2HB LYS 95 HB1 LYS 95 3.555 -15.746 -5.005 701 1HG LYS 95 HG2 LYS 95 6.260 -15.815 -6.299 702 2HG LYS 95 HG1 LYS 95 4.922 -16.945 -6.497 703 1HD LYS 95 HD2 LYS 95 4.104 -14.270 -7.191 704 2HD LYS 95 HD1 LYS 95 5.547 -14.738 -8.095 705 1HE LYS 95 HE2 LYS 95 3.710 -15.427 -9.410 706 2HE LYS 95 HE1 LYS 95 4.338 -16.890 -8.653 707 1HZ LYS 95 HZ1 LYS 95 2.365 -15.697 -7.011 708 2HZ LYS 95 HZ2 LYS 95 2.389 -17.243 -7.695 709 3HZ LYS 95 HZ3 LYS 95 1.745 -15.943 -8.566 710 H PHE 96 HN PHE 96 5.880 -13.780 -2.639 711 HA PHE 96 HA PHE 96 3.630 -13.788 -0.896 712 1HB PHE 96 HB2 PHE 96 6.216 -14.360 -0.466 713 2HB PHE 96 HB1 PHE 96 6.218 -12.685 0.080 714 HD1 PHE 96 HD1 PHE 96 3.675 -12.364 1.395 715 HD2 PHE 96 HD2 PHE 96 6.305 -15.716 1.399 716 HE1 PHE 96 HE1 PHE 96 2.771 -13.068 3.572 717 HE2 PHE 96 HE2 PHE 96 5.401 -16.423 3.576 718 HZ PHE 96 HZ PHE 96 3.637 -15.103 4.664 719 H GLN 97 HN GLN 97 5.923 -11.262 -1.914 720 HA GLN 97 HA GLN 97 4.923 -9.062 -0.614 721 1HB GLN 97 HB2 GLN 97 5.614 -9.032 -3.552 722 2HB GLN 97 HB1 GLN 97 5.875 -7.765 -2.375 723 1HG GLN 97 HG2 GLN 97 7.641 -8.959 -1.344 724 2HG GLN 97 HG1 GLN 97 7.282 -10.407 -2.270 725 1HE2 GLN 97 HE21 GLN 97 9.647 -10.074 -2.580 726 2HE2 GLN 97 HE22 GLN 97 10.104 -9.198 -3.987 727 H LYS 98 HN LYS 98 3.612 -10.893 -3.230 728 HA LYS 98 HA LYS 98 1.495 -9.089 -3.940 729 1HB LYS 98 HB2 LYS 98 2.245 -11.913 -4.606 730 2HB LYS 98 HB1 LYS 98 0.642 -11.315 -5.025 731 1HG LYS 98 HG2 LYS 98 2.070 -9.331 -6.053 732 2HG LYS 98 HG1 LYS 98 3.286 -10.609 -6.148 733 1HD LYS 98 HD2 LYS 98 0.599 -11.382 -7.032 734 2HD LYS 98 HD1 LYS 98 1.382 -10.150 -8.025 735 1HE LYS 98 HE2 LYS 98 3.338 -11.591 -8.292 736 2HE LYS 98 HE1 LYS 98 2.585 -12.814 -7.271 737 1HZ LYS 98 HZ1 LYS 98 1.395 -13.575 -8.973 738 2HZ LYS 98 HZ2 LYS 98 2.386 -12.649 -9.983 739 3HZ LYS 98 HZ3 LYS 98 0.906 -12.027 -9.452 740 H LEU 99 HN LEU 99 1.636 -12.251 -2.332 741 HA LEU 99 HA LEU 99 -0.980 -12.490 -1.542 742 1HB LEU 99 HB2 LEU 99 1.601 -13.562 -0.599 743 2HB LEU 99 HB1 LEU 99 0.301 -13.602 0.576 744 HG LEU 99 HG LEU 99 0.403 -15.718 -0.569 745 1HD1 LEU 99 HD11 LEU 99 -1.901 -15.596 -1.778 746 2HD1 LEU 99 HD12 LEU 99 -1.933 -13.952 -1.141 747 3HD1 LEU 99 HD13 LEU 99 -1.799 -15.322 -0.038 748 1HD2 LEU 99 HD21 LEU 99 0.547 -13.993 -2.979 749 2HD2 LEU 99 HD22 LEU 99 -0.291 -15.539 -3.121 750 3HD2 LEU 99 HD23 LEU 99 1.394 -15.493 -2.605 751 H LEU 100 HN LEU 100 1.407 -10.335 -0.489 752 HA LEU 100 HA LEU 100 0.382 -9.695 2.080 753 1HB LEU 100 HB2 LEU 100 2.540 -8.969 1.867 754 2HB LEU 100 HB1 LEU 100 2.324 -8.635 0.165 755 HG LEU 100 HG LEU 100 0.789 -6.766 1.636 756 1HD1 LEU 100 HD11 LEU 100 3.652 -7.040 2.502 757 2HD1 LEU 100 HD12 LEU 100 2.212 -7.084 3.520 758 3HD1 LEU 100 HD13 LEU 100 2.692 -5.579 2.734 759 1HD2 LEU 100 HD21 LEU 100 1.759 -6.590 -0.678 760 2HD2 LEU 100 HD22 LEU 100 3.316 -6.278 0.090 761 3HD2 LEU 100 HD23 LEU 100 1.970 -5.168 0.346 762 H GLU 101 HN GLU 101 0.304 -7.910 -1.018 763 HA GLU 101 HA GLU 101 -1.485 -5.964 -0.139 764 1HB GLU 101 HB2 GLU 101 -1.791 -5.370 -2.383 765 2HB GLU 101 HB1 GLU 101 -0.128 -5.912 -2.229 766 1HG GLU 101 HG2 GLU 101 -1.733 -8.119 -3.024 767 2HG GLU 101 HG1 GLU 101 -2.117 -6.748 -4.053 768 H VAL 102 HN VAL 102 -2.055 -9.102 -1.515 769 HA VAL 102 HA VAL 102 -4.875 -8.672 -1.777 770 HB VAL 102 HB VAL 102 -3.241 -9.958 -3.233 771 1HG1 VAL 102 HG11 VAL 102 -4.017 -12.293 -1.494 772 2HG1 VAL 102 HG12 VAL 102 -2.522 -11.395 -1.230 773 3HG1 VAL 102 HG13 VAL 102 -2.796 -12.216 -2.766 774 1HG2 VAL 102 HG21 VAL 102 -5.375 -11.811 -3.209 775 2HG2 VAL 102 HG22 VAL 102 -5.156 -10.409 -4.254 776 3HG2 VAL 102 HG23 VAL 102 -6.039 -10.246 -2.736 777 H ILE 103 HN ILE 103 -2.775 -10.275 0.562 778 HA ILE 103 HA ILE 103 -5.156 -11.318 1.940 779 HB ILE 103 HB ILE 103 -2.235 -11.865 2.441 780 1HG1 ILE 103 HG12 ILE 103 -3.195 -12.946 0.439 781 2HG1 ILE 103 HG11 ILE 103 -2.758 -14.121 1.675 782 1HG2 ILE 103 HG21 ILE 103 -4.180 -13.583 3.780 783 2HG2 ILE 103 HG22 ILE 103 -4.195 -11.915 4.352 784 3HG2 ILE 103 HG23 ILE 103 -2.699 -12.849 4.397 785 1HD1 ILE 103 HD11 ILE 103 -5.436 -13.316 0.680 786 2HD1 ILE 103 HD12 ILE 103 -5.281 -13.842 2.357 787 3HD1 ILE 103 HD13 ILE 103 -4.795 -14.918 1.046 788 H LYS 104 HN LYS 104 -2.562 -9.015 2.260 789 HA LYS 104 HA LYS 104 -3.206 -8.359 4.996 790 1HB LYS 104 HB2 LYS 104 -1.278 -7.138 3.026 791 2HB LYS 104 HB1 LYS 104 -1.562 -6.463 4.624 792 1HG LYS 104 HG2 LYS 104 0.443 -8.041 4.251 793 2HG LYS 104 HG1 LYS 104 -0.541 -8.228 5.705 794 1HD LYS 104 HD2 LYS 104 -1.824 -10.007 4.521 795 2HD LYS 104 HD1 LYS 104 -0.689 -9.863 3.181 796 1HE LYS 104 HE2 LYS 104 1.049 -10.802 4.369 797 2HE LYS 104 HE1 LYS 104 0.381 -10.318 5.928 798 1HZ LYS 104 HZ1 LYS 104 -0.726 -12.457 4.188 799 2HZ LYS 104 HZ2 LYS 104 -1.298 -12.020 5.720 800 3HZ LYS 104 HZ3 LYS 104 0.235 -12.715 5.558 801 H SER 105 HN SER 105 -3.233 -6.495 1.924 802 HA SER 105 HA SER 105 -4.895 -4.474 3.113 803 1HB SER 105 HB2 SER 105 -3.421 -4.813 0.638 804 2HB SER 105 HB1 SER 105 -5.026 -4.138 0.362 805 HG SER 105 HG SER 105 -4.494 -2.578 2.015 806 H ASN 106 HN ASN 106 -5.223 -7.200 1.039 807 HA ASN 106 HA ASN 106 -6.896 -8.513 0.428 808 1HB ASN 106 HB2 ASN 106 -8.512 -7.007 2.484 809 2HB ASN 106 HB1 ASN 106 -9.017 -8.498 1.695 810 1HD2 ASN 106 HD21 ASN 106 -6.509 -7.091 3.709 811 2HD2 ASN 106 HD22 ASN 106 -6.113 -8.543 4.554 812 H LEU 107 HN LEU 107 -7.731 -5.139 0.694 813 HA LEU 107 HA LEU 107 -9.775 -5.261 -1.331 814 1HB LEU 107 HB2 LEU 107 -9.673 -2.734 -1.151 815 2HB LEU 107 HB1 LEU 107 -10.231 -3.618 0.253 816 HG LEU 107 HG LEU 107 -7.983 -3.337 1.275 817 1HD1 LEU 107 HD11 LEU 107 -6.402 -1.801 0.326 818 2HD1 LEU 107 HD12 LEU 107 -7.486 -1.453 -1.021 819 3HD1 LEU 107 HD13 LEU 107 -6.753 -3.051 -0.868 820 1HD2 LEU 107 HD21 LEU 107 -9.217 -0.726 0.438 821 2HD2 LEU 107 HD22 LEU 107 -8.338 -1.080 1.925 822 3HD2 LEU 107 HD23 LEU 107 -9.924 -1.799 1.644 823 H LYS 108 HN LYS 108 -9.523 -3.467 -3.111 824 HA LYS 108 HA LYS 108 -7.788 -4.400 -4.975 825 1HB LYS 108 HB2 LYS 108 -9.185 -2.880 -5.958 826 2HB LYS 108 HB1 LYS 108 -9.110 -1.768 -4.595 827 1HG LYS 108 HG2 LYS 108 -7.648 -0.526 -5.702 828 2HG LYS 108 HG1 LYS 108 -6.531 -1.877 -5.725 829 1HD LYS 108 HD2 LYS 108 -7.885 -2.734 -7.710 830 2HD LYS 108 HD1 LYS 108 -8.510 -1.084 -7.815 831 1HE LYS 108 HE2 LYS 108 -5.597 -1.288 -7.527 832 2HE LYS 108 HE1 LYS 108 -6.233 -1.985 -9.015 833 1HZ LYS 108 HZ1 LYS 108 -5.639 0.380 -9.227 834 2HZ LYS 108 HZ2 LYS 108 -6.813 0.772 -8.073 835 3HZ LYS 108 HZ3 LYS 108 -7.275 0.093 -9.552 836 H ASN 109 HN ASN 109 -5.746 -4.577 -5.050 837 HA ASN 109 HA ASN 109 -3.838 -3.984 -3.322 838 1HB ASN 109 HB2 ASN 109 -3.536 -3.711 -6.317 839 2HB ASN 109 HB1 ASN 109 -2.271 -4.104 -5.166 840 1HD2 ASN 109 HD21 ASN 109 -4.566 -5.541 -3.709 841 2HD2 ASN 109 HD22 ASN 109 -4.571 -7.079 -4.460 842 HA PRO 110 HA PRO 110 -4.492 0.515 -2.910 843 1HB PRO 110 HB2 PRO 110 -2.165 -0.083 -1.127 844 2HB PRO 110 HB1 PRO 110 -3.550 0.982 -0.842 845 1HG PRO 110 HG2 PRO 110 -3.445 -1.453 0.248 846 2HG PRO 110 HG1 PRO 110 -4.972 -0.787 -0.361 847 1HD PRO 110 HD2 PRO 110 -3.255 -2.922 -1.499 848 2HD PRO 110 HD1 PRO 110 -5.004 -2.673 -1.658 849 H GLN 111 HN GLN 111 -3.267 2.293 -3.377 850 HA GLN 111 HA GLN 111 -0.903 1.727 -5.032 851 1HB GLN 111 HB2 GLN 111 -1.908 4.422 -5.326 852 2HB GLN 111 HB1 GLN 111 -1.712 3.175 -6.546 853 1HG GLN 111 HG2 GLN 111 -4.072 2.984 -4.743 854 2HG GLN 111 HG1 GLN 111 -4.072 4.242 -5.974 855 1HE2 GLN 111 HE21 GLN 111 -3.931 0.803 -5.390 856 2HE2 GLN 111 HE22 GLN 111 -4.428 0.314 -6.972 857 H VAL 112 HN VAL 112 1.034 2.341 -4.210 858 HA VAL 112 HA VAL 112 1.066 3.881 -1.805 859 HB VAL 112 HB VAL 112 2.661 2.388 -1.552 860 1HG1 VAL 112 HG11 VAL 112 2.241 1.600 -3.964 861 2HG1 VAL 112 HG12 VAL 112 3.672 1.084 -3.075 862 3HG1 VAL 112 HG13 VAL 112 3.791 2.388 -4.258 863 1HG2 VAL 112 HG21 VAL 112 4.034 4.679 -2.841 864 2HG2 VAL 112 HG22 VAL 112 4.958 3.295 -2.257 865 3HG2 VAL 112 HG23 VAL 112 3.969 4.231 -1.138 866 H TYR 113 HN TYR 113 1.847 5.891 -1.469 867 HA TYR 113 HA TYR 113 2.622 7.501 -3.824 868 1HB TYR 113 HB2 TYR 113 1.003 8.505 -1.475 869 2HB TYR 113 HB1 TYR 113 1.297 9.319 -3.009 870 HD1 TYR 113 HD1 TYR 113 -0.810 6.990 -1.216 871 HD2 TYR 113 HD2 TYR 113 0.210 8.423 -5.087 872 HE1 TYR 113 HE1 TYR 113 -2.910 6.072 -2.105 873 HE2 TYR 113 HE2 TYR 113 -1.895 7.527 -5.996 874 HH TYR 113 HH TYR 113 -4.107 5.650 -3.943 875 H ARG 114 HN ARG 114 4.695 8.141 -3.542 876 HA ARG 114 HA ARG 114 5.567 8.661 -0.784 877 1HB ARG 114 HB2 ARG 114 7.690 8.226 -2.718 878 2HB ARG 114 HB1 ARG 114 7.469 7.529 -1.129 879 1HG ARG 114 HG2 ARG 114 6.089 5.794 -1.981 880 2HG ARG 114 HG1 ARG 114 5.993 6.571 -3.562 881 1HD ARG 114 HD2 ARG 114 7.573 4.632 -3.430 882 2HD ARG 114 HD1 ARG 114 8.285 6.139 -4.009 883 HE ARG 114 HE ARG 114 8.892 6.281 -1.436 884 1HH1 ARG 114 HH11 ARG 114 9.090 3.574 -3.617 885 2HH1 ARG 114 HH12 ARG 114 10.406 2.826 -2.777 886 1HH2 ARG 114 HH21 ARG 114 10.629 5.300 -0.319 887 2HH2 ARG 114 HH22 ARG 114 11.280 3.805 -0.903 888 H LEU 115 HN LEU 115 6.037 10.649 -0.370 889 HA LEU 115 HA LEU 115 7.228 12.338 -2.442 890 1HB LEU 115 HB2 LEU 115 5.319 13.722 -0.686 891 2HB LEU 115 HB1 LEU 115 5.700 13.989 -2.371 892 HG LEU 115 HG LEU 115 4.321 11.887 -2.846 893 1HD1 LEU 115 HD11 LEU 115 4.242 11.799 -0.054 894 2HD1 LEU 115 HD12 LEU 115 3.302 10.817 -1.178 895 3HD1 LEU 115 HD13 LEU 115 2.632 12.321 -0.547 896 1HD2 LEU 115 HD21 LEU 115 2.187 13.434 -2.176 897 2HD2 LEU 115 HD22 LEU 115 3.180 13.659 -3.616 898 3HD2 LEU 115 HD23 LEU 115 3.495 14.617 -2.169 899 H GLY 116 HN GLY 116 9.160 12.866 -1.521 900 1HA GLY 116 HA2 GLY 116 9.414 14.571 0.578 901 2HA GLY 116 HA1 GLY 116 9.406 12.992 1.340 902 H GLU 117 HN GLU 117 11.357 15.339 0.371 903 HA GLU 117 HA GLU 117 13.399 13.623 -0.741 904 1HB GLU 117 HB2 GLU 117 14.708 15.911 -0.648 905 2HB GLU 117 HB1 GLU 117 13.491 15.636 -1.887 906 1HG GLU 117 HG2 GLU 117 11.979 17.071 -0.916 907 2HG GLU 117 HG1 GLU 117 12.702 16.918 0.686 908 H VAL 118 HN VAL 118 14.365 12.440 0.707 909 HA VAL 118 HA VAL 118 16.170 12.248 2.262 910 HB VAL 118 HB VAL 118 14.806 14.544 3.669 911 1HG1 VAL 118 HG11 VAL 118 16.260 12.350 4.838 912 2HG1 VAL 118 HG12 VAL 118 15.451 13.705 5.626 913 3HG1 VAL 118 HG13 VAL 118 17.121 13.870 5.084 914 1HG2 VAL 118 HG21 VAL 118 17.208 14.195 2.040 915 2HG2 VAL 118 HG22 VAL 118 17.502 15.035 3.564 916 3HG2 VAL 118 HG23 VAL 118 16.304 15.660 2.429 917 H GLU 119 HN GLU 119 12.829 12.857 3.282 918 HA GLU 119 HA GLU 119 12.670 10.123 4.301 919 1HB GLU 119 HB2 GLU 119 11.422 12.287 5.928 920 2HB GLU 119 HB1 GLU 119 11.947 10.691 6.379 921 1HG GLU 119 HG2 GLU 119 14.303 11.807 5.755 922 2HG GLU 119 HG1 GLU 119 13.395 13.174 6.372 923 H LEU 120 HN LEU 120 11.489 9.874 2.349 924 HA LEU 120 HA LEU 120 9.206 11.420 1.746 925 1HB LEU 120 HB2 LEU 120 8.889 9.912 -0.062 926 2HB LEU 120 HB1 LEU 120 10.617 10.160 0.119 927 HG LEU 120 HG LEU 120 10.548 7.958 1.514 928 1HD1 LEU 120 HD11 LEU 120 8.517 7.084 1.743 929 2HD1 LEU 120 HD12 LEU 120 8.628 6.640 0.040 930 3HD1 LEU 120 HD13 LEU 120 7.832 8.143 0.511 931 1HD2 LEU 120 HD21 LEU 120 11.541 8.409 -0.790 932 2HD2 LEU 120 HD22 LEU 120 10.068 7.686 -1.437 933 3HD2 LEU 120 HD23 LEU 120 11.133 6.738 -0.397 934 H ASP 121 HN ASP 121 7.077 10.970 1.971 935 HA ASP 121 HA ASP 121 6.383 9.001 4.029 936 1HB ASP 121 HB2 ASP 121 5.583 11.682 3.567 937 2HB ASP 121 HB1 ASP 121 4.170 10.673 3.274 938 H VAL 122 HN VAL 122 5.558 7.128 3.353 939 HA VAL 122 HA VAL 122 4.432 6.979 0.661 940 HB VAL 122 HB VAL 122 5.718 5.013 2.472 941 1HG1 VAL 122 HG11 VAL 122 4.697 3.270 0.726 942 2HG1 VAL 122 HG12 VAL 122 3.344 4.397 0.811 943 3HG1 VAL 122 HG13 VAL 122 3.937 3.618 2.279 944 1HG2 VAL 122 HG21 VAL 122 6.023 4.438 -0.279 945 2HG2 VAL 122 HG22 VAL 122 7.211 5.105 0.840 946 3HG2 VAL 122 HG23 VAL 122 6.162 6.185 -0.078 947 H TYR 123 HN TYR 123 2.361 6.753 0.272 948 HA TYR 123 HA TYR 123 0.571 5.891 2.448 949 1HB TYR 123 HB2 TYR 123 0.214 8.044 0.373 950 2HB TYR 123 HB1 TYR 123 -1.174 7.258 1.125 951 HD1 TYR 123 HD1 TYR 123 -1.838 9.556 1.936 952 HD2 TYR 123 HD2 TYR 123 1.774 7.685 3.175 953 HE1 TYR 123 HE1 TYR 123 -1.686 11.119 3.826 954 HE2 TYR 123 HE2 TYR 123 1.937 9.245 5.068 955 HH TYR 123 HH TYR 123 0.432 10.664 6.421 956 H VAL 124 HN VAL 124 -0.694 4.182 1.949 957 HA VAL 124 HA VAL 124 -0.955 3.487 -0.898 958 HB VAL 124 HB VAL 124 -1.072 1.167 0.860 959 1HG1 VAL 124 HG11 VAL 124 1.032 1.236 -1.134 960 2HG1 VAL 124 HG12 VAL 124 -0.530 1.730 -1.787 961 3HG1 VAL 124 HG13 VAL 124 -0.360 0.163 -0.997 962 1HG2 VAL 124 HG21 VAL 124 1.234 2.999 1.096 963 2HG2 VAL 124 HG22 VAL 124 1.609 1.290 0.880 964 3HG2 VAL 124 HG23 VAL 124 0.608 1.807 2.236 965 H ILE 125 HN ILE 125 -3.029 3.573 -1.478 966 HA ILE 125 HA ILE 125 -5.035 2.640 0.482 967 HB ILE 125 HB ILE 125 -5.611 4.954 -1.365 968 1HG1 ILE 125 HG12 ILE 125 -5.207 5.746 1.385 969 2HG1 ILE 125 HG11 ILE 125 -3.736 5.042 0.719 970 1HG2 ILE 125 HG21 ILE 125 -7.037 5.125 1.024 971 2HG2 ILE 125 HG22 ILE 125 -7.036 3.412 0.608 972 3HG2 ILE 125 HG23 ILE 125 -7.645 4.598 -0.545 973 1HD1 ILE 125 HD11 ILE 125 -3.374 6.781 -0.640 974 2HD1 ILE 125 HD12 ILE 125 -4.433 7.631 0.484 975 3HD1 ILE 125 HD13 ILE 125 -5.085 6.978 -1.019 976 H GLY 126 HN GLY 126 -6.376 1.219 -0.330 977 1HA GLY 126 HA2 GLY 126 -6.397 0.665 -3.194 978 2HA GLY 126 HA1 GLY 126 -6.892 -0.431 -1.901 979 H GLU 127 HN GLU 127 -8.767 -0.594 -3.450 980 HA GLU 127 HA GLU 127 -10.760 1.244 -2.404 981 1HB GLU 127 HB2 GLU 127 -11.740 1.717 -4.562 982 2HB GLU 127 HB1 GLU 127 -10.051 2.212 -4.543 983 1HG GLU 127 HG2 GLU 127 -9.399 0.436 -5.926 984 2HG GLU 127 HG1 GLU 127 -10.905 -0.438 -5.639 985 H THR 128 HN THR 128 -11.639 -0.342 -1.223 986 HA THR 128 HA THR 128 -13.690 -1.774 -2.500 987 HB THR 128 HB THR 128 -11.894 -3.674 -1.046 988 HG1 THR 128 HG1 THR 128 -10.619 -2.738 -2.735 989 1HG2 THR 128 HG21 THR 128 -14.384 -3.951 -2.018 990 2HG2 THR 128 HG22 THR 128 -13.232 -5.283 -1.919 991 3HG2 THR 128 HG23 THR 128 -13.456 -4.423 -3.442 992 HA PRO 129 HA PRO 129 -14.067 -1.380 2.214 993 1HB PRO 129 HB2 PRO 129 -14.494 1.434 2.382 994 2HB PRO 129 HB1 PRO 129 -13.141 0.521 3.041 995 1HG PRO 129 HG2 PRO 129 -12.964 2.394 1.011 996 2HG PRO 129 HG1 PRO 129 -11.753 1.152 1.366 997 1HD PRO 129 HD2 PRO 129 -13.867 1.194 -0.732 998 2HD PRO 129 HD1 PRO 129 -12.221 0.545 -0.793 999 H ALA 130 HN ALA 130 -15.241 0.969 0.017 1000 HA ALA 130 HA ALA 130 -18.007 0.061 0.216 1001 1HB ALA 130 HB1 ALA 130 -17.880 2.801 -0.627 1002 2HB ALA 130 HB2 ALA 130 -17.050 2.637 0.920 1003 3HB ALA 130 HB3 ALA 130 -18.727 2.116 0.759 1004 H GLY 131 HN GLY 131 -15.186 0.419 -1.355 1005 1HA GLY 131 HA2 GLY 131 -15.065 -0.598 -3.614 1006 2HA GLY 131 HA1 GLY 131 -16.343 0.533 -4.059 1007 H ASN 132 HN ASN 132 -14.182 1.737 -1.763 1008 HA ASN 132 HA ASN 132 -11.931 2.693 -2.972 1009 1HB ASN 132 HB2 ASN 132 -12.868 3.772 -4.754 1010 2HB ASN 132 HB1 ASN 132 -14.371 4.104 -3.913 1011 1HD2 ASN 132 HD21 ASN 132 -11.107 4.725 -2.911 1012 2HD2 ASN 132 HD22 ASN 132 -11.241 6.432 -2.845 1013 H LEU 133 HN LEU 133 -11.037 3.030 -0.949 1014 HA LEU 133 HA LEU 133 -10.949 5.279 0.384 1015 1HB LEU 133 HB2 LEU 133 -13.617 4.266 0.766 1016 2HB LEU 133 HB1 LEU 133 -12.757 4.423 2.289 1017 HG LEU 133 HG LEU 133 -12.350 6.832 1.723 1018 1HD1 LEU 133 HD11 LEU 133 -13.782 7.907 0.123 1019 2HD1 LEU 133 HD12 LEU 133 -14.533 6.369 -0.297 1020 3HD1 LEU 133 HD13 LEU 133 -12.842 6.663 -0.702 1021 1HD2 LEU 133 HD21 LEU 133 -14.028 7.126 3.141 1022 2HD2 LEU 133 HD22 LEU 133 -14.562 5.475 2.806 1023 3HD2 LEU 133 HD23 LEU 133 -15.202 6.823 1.859 1024 H ALA 134 HN ALA 134 -9.272 2.973 0.389 1025 HA ALA 134 HA ALA 134 -8.540 2.910 3.097 1026 1HB ALA 134 HB1 ALA 134 -9.171 0.435 3.506 1027 2HB ALA 134 HB2 ALA 134 -10.406 0.732 2.284 1028 3HB ALA 134 HB3 ALA 134 -10.375 1.697 3.761 1029 H GLY 135 HN GLY 135 -6.600 2.016 3.446 1030 1HA GLY 135 HA2 GLY 135 -5.491 -0.135 1.919 1031 2HA GLY 135 HA1 GLY 135 -4.826 1.415 1.413 1032 H ILE 136 HN ILE 136 -2.713 1.062 2.246 1033 HA ILE 136 HA ILE 136 -2.546 1.146 5.188 1034 HB ILE 136 HB ILE 136 -0.182 -0.057 4.336 1035 1HG1 ILE 136 HG12 ILE 136 -2.147 -2.029 3.448 1036 2HG1 ILE 136 HG11 ILE 136 -2.054 -0.629 2.385 1037 1HG2 ILE 136 HG21 ILE 136 -1.378 -2.083 5.516 1038 2HG2 ILE 136 HG22 ILE 136 -2.566 -0.844 5.913 1039 3HG2 ILE 136 HG23 ILE 136 -0.888 -0.649 6.416 1040 1HD1 ILE 136 HD11 ILE 136 -0.439 -1.857 1.419 1041 2HD1 ILE 136 HD12 ILE 136 -0.088 -2.759 2.892 1042 3HD1 ILE 136 HD13 ILE 136 0.554 -1.130 2.681 1043 H SER 137 HN SER 137 0.044 1.623 5.671 1044 HA SER 137 HA SER 137 1.234 3.390 3.728 1045 1HB SER 137 HB2 SER 137 1.087 5.462 5.033 1046 2HB SER 137 HB1 SER 137 -0.510 4.878 4.577 1047 HG SER 137 HG SER 137 -0.982 4.627 6.610 1048 H THR 138 HN THR 138 3.269 4.275 4.335 1049 HA THR 138 HA THR 138 4.436 3.634 6.885 1050 HB THR 138 HB THR 138 4.725 1.753 4.715 1051 HG1 THR 138 HG1 THR 138 6.096 1.520 7.151 1052 1HG2 THR 138 HG21 THR 138 7.360 2.678 5.849 1053 2HG2 THR 138 HG22 THR 138 6.773 3.170 4.261 1054 3HG2 THR 138 HG23 THR 138 7.080 1.467 4.598 1055 H LYS 139 HN LYS 139 6.723 4.396 7.028 1056 HA LYS 139 HA LYS 139 7.173 6.639 5.157 1057 1HB LYS 139 HB2 LYS 139 7.158 6.539 8.032 1058 2HB LYS 139 HB1 LYS 139 8.735 7.065 7.454 1059 1HG LYS 139 HG2 LYS 139 7.255 8.629 5.925 1060 2HG LYS 139 HG1 LYS 139 6.087 8.384 7.225 1061 1HD LYS 139 HD2 LYS 139 7.151 10.154 8.140 1062 2HD LYS 139 HD1 LYS 139 8.295 8.919 8.670 1063 1HE LYS 139 HE2 LYS 139 8.805 9.913 5.972 1064 2HE LYS 139 HE1 LYS 139 8.921 11.157 7.216 1065 1HZ LYS 139 HZ1 LYS 139 10.238 8.964 8.231 1066 2HZ LYS 139 HZ2 LYS 139 10.940 10.384 7.636 1067 3HZ LYS 139 HZ3 LYS 139 10.726 9.053 6.613 1068 H VAL 140 HN VAL 140 9.581 7.294 5.076 1069 HA VAL 140 HA VAL 140 11.557 5.273 5.424 1070 HB VAL 140 HB VAL 140 11.696 5.602 2.644 1071 1HG1 VAL 140 HG11 VAL 140 10.806 3.019 3.017 1072 2HG1 VAL 140 HG12 VAL 140 11.502 3.438 4.582 1073 3HG1 VAL 140 HG13 VAL 140 12.481 3.562 3.120 1074 1HG2 VAL 140 HG21 VAL 140 9.194 6.129 2.927 1075 2HG2 VAL 140 HG22 VAL 140 9.020 4.403 3.245 1076 3HG2 VAL 140 HG23 VAL 140 9.675 4.953 1.703 1077 H VAL 141 HN VAL 141 13.470 6.333 5.615 1078 HA VAL 141 HA VAL 141 13.730 9.077 4.858 1079 HB VAL 141 HB VAL 141 15.001 8.236 6.763 1080 1HG1 VAL 141 HG11 VAL 141 16.895 6.729 6.508 1081 2HG1 VAL 141 HG12 VAL 141 16.521 6.540 4.795 1082 3HG1 VAL 141 HG13 VAL 141 15.391 5.957 6.016 1083 1HG2 VAL 141 HG21 VAL 141 16.565 9.285 4.443 1084 2HG2 VAL 141 HG22 VAL 141 17.357 8.936 5.980 1085 3HG2 VAL 141 HG23 VAL 141 16.048 10.115 5.911 1086 H GLU 142 HN GLU 142 13.425 9.295 2.664 1087 HA GLU 142 HA GLU 142 15.679 8.576 0.990 1088 1HB GLU 142 HB2 GLU 142 12.946 7.424 0.648 1089 2HB GLU 142 HB1 GLU 142 13.861 7.843 -0.793 1090 1HG GLU 142 HG2 GLU 142 15.353 6.296 1.198 1091 2HG GLU 142 HG1 GLU 142 13.980 5.458 0.477 1092 H THR 143 HN THR 143 15.632 9.707 -1.102 1093 HA THR 143 HA THR 143 13.923 12.122 -1.045 1094 HB THR 143 HB THR 143 15.669 13.517 -1.364 1095 HG1 THR 143 HG1 THR 143 16.239 12.894 -3.413 1096 1HG2 THR 143 HG21 THR 143 16.414 11.444 0.319 1097 2HG2 THR 143 HG22 THR 143 17.201 13.017 0.189 1098 3HG2 THR 143 HG23 THR 143 17.807 11.649 -0.744 Start of MODEL 6 1 1H MET 1 HT1 MET 1 -18.150 -15.895 1.217 2 2H MET 1 HT2 MET 1 -17.490 -17.217 2.041 3 3H MET 1 HT3 MET 1 -17.779 -15.768 2.863 4 HA MET 1 HA MET 1 -19.953 -16.155 3.138 5 1HB MET 1 HB2 MET 1 -19.889 -16.300 0.444 6 2HB MET 1 HB1 MET 1 -20.313 -17.965 0.817 7 1HG MET 1 HG2 MET 1 -22.407 -17.414 1.276 8 2HG MET 1 HG1 MET 1 -21.901 -16.119 2.360 9 1HE MET 1 HE1 MET 1 -23.690 -13.441 0.678 10 2HE MET 1 HE2 MET 1 -22.179 -13.418 1.587 11 3HE MET 1 HE3 MET 1 -23.482 -14.504 2.070 12 H HIS 2 HN HIS 2 -17.473 -18.137 3.304 13 HA HIS 2 HA HIS 2 -18.929 -20.598 3.905 14 1HB HIS 2 HB2 HIS 2 -16.260 -19.964 3.045 15 2HB HIS 2 HB1 HIS 2 -16.190 -20.895 4.536 16 HD1 HIS 2 HD1 HIS 2 -15.741 -21.613 1.267 17 HD2 HIS 2 HD2 HIS 2 -18.502 -23.085 4.002 18 HE1 HIS 2 HE1 HIS 2 -16.471 -23.839 0.354 19 HE2 HIS 2 HE2 HIS 2 -18.225 -24.657 1.968 20 H HIS 3 HN HIS 3 -18.389 -17.841 5.490 21 HA HIS 3 HA HIS 3 -17.669 -19.046 8.056 22 1HB HIS 3 HB2 HIS 3 -17.613 -16.308 6.925 23 2HB HIS 3 HB1 HIS 3 -17.986 -16.431 8.641 24 HD1 HIS 3 HD1 HIS 3 -15.220 -15.810 6.636 25 HD2 HIS 3 HD2 HIS 3 -15.871 -18.419 9.803 26 HE1 HIS 3 HE1 HIS 3 -12.937 -16.357 7.536 27 HE2 HIS 3 HE2 HIS 3 -13.351 -17.998 9.402 28 H HIS 4 HN HIS 4 -18.949 -17.576 9.884 29 HA HIS 4 HA HIS 4 -21.780 -18.211 9.395 30 1HB HIS 4 HB2 HIS 4 -20.006 -18.770 11.591 31 2HB HIS 4 HB1 HIS 4 -21.360 -17.795 12.155 32 HD1 HIS 4 HD1 HIS 4 -22.697 -19.660 9.470 33 HD2 HIS 4 HD2 HIS 4 -21.673 -20.576 13.392 34 HE1 HIS 4 HE1 HIS 4 -23.968 -21.756 10.025 35 HE2 HIS 4 HE2 HIS 4 -23.268 -22.338 12.374 36 H HIS 5 HN HIS 5 -23.366 -16.832 10.526 37 HA HIS 5 HA HIS 5 -24.356 -14.815 10.860 38 1HB HIS 5 HB2 HIS 5 -21.828 -14.696 12.280 39 2HB HIS 5 HB1 HIS 5 -22.330 -13.101 11.730 40 HD1 HIS 5 HD1 HIS 5 -23.448 -15.936 13.938 41 HD2 HIS 5 HD2 HIS 5 -24.462 -11.995 13.096 42 HE1 HIS 5 HE1 HIS 5 -25.122 -15.282 15.697 43 HE2 HIS 5 HE2 HIS 5 -25.752 -12.905 15.146 44 H HIS 6 HN HIS 6 -24.874 -14.207 8.807 45 HA HIS 6 HA HIS 6 -22.900 -12.912 7.119 46 1HB HIS 6 HB2 HIS 6 -25.829 -13.152 6.478 47 2HB HIS 6 HB1 HIS 6 -24.463 -13.075 5.371 48 HD1 HIS 6 HD1 HIS 6 -22.940 -15.393 7.148 49 HD2 HIS 6 HD2 HIS 6 -26.642 -15.573 5.266 50 HE1 HIS 6 HE1 HIS 6 -23.387 -17.840 6.775 51 HE2 HIS 6 HE2 HIS 6 -25.639 -17.927 5.649 52 H HIS 7 HN HIS 7 -22.937 -10.776 6.466 53 HA HIS 7 HA HIS 7 -24.845 -9.014 7.851 54 1HB HIS 7 HB2 HIS 7 -21.864 -8.625 7.537 55 2HB HIS 7 HB1 HIS 7 -22.966 -7.348 8.043 56 HD1 HIS 7 HD1 HIS 7 -20.581 -9.025 9.646 57 HD2 HIS 7 HD2 HIS 7 -24.689 -9.041 10.263 58 HE1 HIS 7 HE1 HIS 7 -20.899 -9.769 12.026 59 HE2 HIS 7 HE2 HIS 7 -23.391 -9.725 12.394 60 H GLY 8 HN GLY 8 -22.203 -8.576 5.490 61 1HA GLY 8 HA2 GLY 8 -23.739 -8.227 3.212 62 2HA GLY 8 HA1 GLY 8 -23.669 -6.655 3.992 63 H SER 9 HN SER 9 -22.645 -6.330 1.748 64 HA SER 9 HA SER 9 -19.967 -7.244 1.373 65 1HB SER 9 HB2 SER 9 -20.447 -4.871 -0.141 66 2HB SER 9 HB1 SER 9 -20.390 -6.539 -0.710 67 HG SER 9 HG SER 9 -22.594 -6.720 -0.259 68 H THR 10 HN THR 10 -18.673 -6.680 3.084 69 HA THR 10 HA THR 10 -18.231 -3.791 3.456 70 HB THR 10 HB THR 10 -17.730 -5.748 5.675 71 HG1 THR 10 HG1 THR 10 -20.147 -4.319 5.591 72 1HG2 THR 10 HG21 THR 10 -16.913 -3.801 6.473 73 2HG2 THR 10 HG22 THR 10 -18.609 -3.419 6.772 74 3HG2 THR 10 HG23 THR 10 -17.817 -2.830 5.311 75 H LYS 11 HN LYS 11 -16.089 -3.157 4.028 76 HA LYS 11 HA LYS 11 -13.871 -4.781 4.294 77 1HB LYS 11 HB2 LYS 11 -14.410 -5.547 1.994 78 2HB LYS 11 HB1 LYS 11 -14.239 -3.895 1.428 79 1HG LYS 11 HG2 LYS 11 -12.277 -5.325 0.977 80 2HG LYS 11 HG1 LYS 11 -11.911 -3.886 1.935 81 1HD LYS 11 HD2 LYS 11 -10.873 -5.301 3.326 82 2HD LYS 11 HD1 LYS 11 -12.492 -5.754 3.857 83 1HE LYS 11 HE2 LYS 11 -10.654 -7.503 2.974 84 2HE LYS 11 HE1 LYS 11 -12.394 -7.764 2.855 85 1HZ LYS 11 HZ1 LYS 11 -10.946 -6.391 0.685 86 2HZ LYS 11 HZ2 LYS 11 -12.399 -7.255 0.616 87 3HZ LYS 11 HZ3 LYS 11 -10.932 -8.080 0.777 88 H THR 12 HN THR 12 -15.122 -2.271 4.994 89 HA THR 12 HA THR 12 -13.597 -0.064 4.059 90 HB THR 12 HB THR 12 -14.433 0.334 6.784 91 HG1 THR 12 HG1 THR 12 -16.532 -0.573 5.075 92 1HG2 THR 12 HG21 THR 12 -14.383 1.754 4.436 93 2HG2 THR 12 HG22 THR 12 -15.170 2.279 5.924 94 3HG2 THR 12 HG23 THR 12 -16.110 1.478 4.664 95 H ASN 13 HN ASN 13 -12.690 1.212 6.300 96 HA ASN 13 HA ASN 13 -10.150 0.049 6.751 97 1HB ASN 13 HB2 ASN 13 -11.118 2.521 7.140 98 2HB ASN 13 HB1 ASN 13 -11.379 1.909 8.769 99 1HD2 ASN 13 HD21 ASN 13 -9.275 0.559 9.498 100 2HD2 ASN 13 HD22 ASN 13 -7.827 1.479 9.344 101 H SER 14 HN SER 14 -13.242 -0.640 7.944 102 HA SER 14 HA SER 14 -12.742 -1.492 10.563 103 1HB SER 14 HB2 SER 14 -14.793 -1.950 8.480 104 2HB SER 14 HB1 SER 14 -14.636 -3.252 9.661 105 HG SER 14 HG SER 14 -14.603 -0.986 11.009 106 H GLU 15 HN GLU 15 -12.763 -3.176 7.487 107 HA GLU 15 HA GLU 15 -11.476 -5.518 8.591 108 1HB GLU 15 HB2 GLU 15 -13.235 -5.199 6.561 109 2HB GLU 15 HB1 GLU 15 -11.719 -5.162 5.664 110 1HG GLU 15 HG2 GLU 15 -11.265 -7.324 6.061 111 2HG GLU 15 HG1 GLU 15 -12.019 -7.301 7.653 112 H ILE 16 HN ILE 16 -10.832 -2.876 6.392 113 HA ILE 16 HA ILE 16 -8.308 -3.559 5.525 114 HB ILE 16 HB ILE 16 -9.697 -0.909 5.774 115 1HG1 ILE 16 HG12 ILE 16 -10.492 -1.490 3.754 116 2HG1 ILE 16 HG11 ILE 16 -8.854 -1.559 3.146 117 1HG2 ILE 16 HG21 ILE 16 -6.853 -1.368 5.409 118 2HG2 ILE 16 HG22 ILE 16 -7.729 0.137 5.695 119 3HG2 ILE 16 HG23 ILE 16 -7.577 -0.498 4.056 120 1HD1 ILE 16 HD11 ILE 16 -10.125 -3.603 2.709 121 2HD1 ILE 16 HD12 ILE 16 -10.288 -3.852 4.447 122 3HD1 ILE 16 HD13 ILE 16 -8.693 -3.891 3.697 123 H LEU 17 HN LEU 17 -9.277 -2.240 8.581 124 HA LEU 17 HA LEU 17 -6.563 -1.523 9.310 125 1HB LEU 17 HB2 LEU 17 -7.473 -0.376 11.012 126 2HB LEU 17 HB1 LEU 17 -8.994 -0.621 10.171 127 HG LEU 17 HG LEU 17 -9.011 -2.848 11.628 128 1HD1 LEU 17 HD11 LEU 17 -6.784 -2.317 12.621 129 2HD1 LEU 17 HD12 LEU 17 -8.069 -2.546 13.806 130 3HD1 LEU 17 HD13 LEU 17 -7.523 -0.919 13.402 131 1HD2 LEU 17 HD21 LEU 17 -10.245 -0.332 11.713 132 2HD2 LEU 17 HD22 LEU 17 -9.818 -0.731 13.377 133 3HD2 LEU 17 HD23 LEU 17 -10.812 -1.839 12.431 134 H GLU 18 HN GLU 18 -8.929 -4.046 9.946 135 HA GLU 18 HA GLU 18 -7.603 -5.454 11.929 136 1HB GLU 18 HB2 GLU 18 -9.736 -6.194 11.618 137 2HB GLU 18 HB1 GLU 18 -9.640 -6.077 9.869 138 1HG GLU 18 HG2 GLU 18 -8.025 -8.084 10.057 139 2HG GLU 18 HG1 GLU 18 -8.726 -8.286 11.664 140 H GLN 19 HN GLN 19 -7.578 -6.305 8.448 141 HA GLN 19 HA GLN 19 -5.604 -8.271 8.715 142 1HB GLN 19 HB2 GLN 19 -5.378 -7.713 6.122 143 2HB GLN 19 HB1 GLN 19 -6.703 -8.654 6.783 144 1HG GLN 19 HG2 GLN 19 -7.302 -6.856 5.110 145 2HG GLN 19 HG1 GLN 19 -8.212 -6.865 6.617 146 1HE2 GLN 19 HE21 GLN 19 -6.847 -4.830 4.466 147 2HE2 GLN 19 HE22 GLN 19 -6.430 -3.515 5.497 148 H LEU 20 HN LEU 20 -5.160 -4.938 7.340 149 HA LEU 20 HA LEU 20 -2.401 -5.388 6.931 150 1HB LEU 20 HB2 LEU 20 -4.102 -2.929 6.902 151 2HB LEU 20 HB1 LEU 20 -2.379 -2.866 6.598 152 HG LEU 20 HG LEU 20 -4.088 -4.706 4.977 153 1HD1 LEU 20 HD11 LEU 20 -4.689 -2.012 5.178 154 2HD1 LEU 20 HD12 LEU 20 -5.136 -3.088 3.854 155 3HD1 LEU 20 HD13 LEU 20 -3.672 -2.114 3.742 156 1HD2 LEU 20 HD21 LEU 20 -1.905 -5.040 4.399 157 2HD2 LEU 20 HD22 LEU 20 -1.438 -3.379 4.758 158 3HD2 LEU 20 HD23 LEU 20 -2.325 -3.746 3.278 159 H LYS 21 HN LYS 21 -4.115 -3.493 9.444 160 HA LYS 21 HA LYS 21 -1.731 -2.591 10.657 161 1HB LYS 21 HB2 LYS 21 -4.561 -2.792 11.647 162 2HB LYS 21 HB1 LYS 21 -3.262 -2.249 12.698 163 1HG LYS 21 HG2 LYS 21 -3.280 -0.881 10.128 164 2HG LYS 21 HG1 LYS 21 -4.777 -0.670 11.042 165 1HD LYS 21 HD2 LYS 21 -3.241 1.099 11.619 166 2HD LYS 21 HD1 LYS 21 -3.439 0.026 13.006 167 1HE LYS 21 HE2 LYS 21 -1.320 -1.123 11.773 168 2HE LYS 21 HE1 LYS 21 -1.067 0.570 11.350 169 1HZ LYS 21 HZ1 LYS 21 -1.372 -0.530 14.092 170 2HZ LYS 21 HZ2 LYS 21 -1.226 1.115 13.723 171 3HZ LYS 21 HZ3 LYS 21 0.055 0.057 13.399 172 H GLN 22 HN GLN 22 -3.665 -5.494 11.168 173 HA GLN 22 HA GLN 22 -2.058 -6.219 13.448 174 1HB GLN 22 HB2 GLN 22 -3.710 -7.624 14.011 175 2HB GLN 22 HB1 GLN 22 -4.634 -6.777 12.782 176 1HG GLN 22 HG2 GLN 22 -4.923 -8.681 11.704 177 2HG GLN 22 HG1 GLN 22 -3.182 -8.817 11.473 178 1HE2 GLN 22 HE21 GLN 22 -5.860 -10.274 12.746 179 2HE2 GLN 22 HE22 GLN 22 -5.091 -11.373 13.834 180 H ALA 23 HN ALA 23 -2.406 -7.340 10.097 181 HA ALA 23 HA ALA 23 -0.367 -9.372 10.529 182 1HB ALA 23 HB1 ALA 23 -1.349 -8.932 7.794 183 2HB ALA 23 HB2 ALA 23 -2.570 -9.389 8.982 184 3HB ALA 23 HB3 ALA 23 -1.167 -10.425 8.716 185 H SER 24 HN SER 24 -0.798 -6.859 8.010 186 HA SER 24 HA SER 24 1.742 -6.924 6.946 187 1HB SER 24 HB2 SER 24 0.331 -4.297 7.327 188 2HB SER 24 HB1 SER 24 1.285 -4.855 5.953 189 HG SER 24 HG SER 24 -1.104 -6.149 6.704 190 H ASP 25 HN ASP 25 0.816 -5.671 10.045 191 HA ASP 25 HA ASP 25 3.052 -3.946 10.407 192 1HB ASP 25 HB2 ASP 25 0.736 -4.147 11.704 193 2HB ASP 25 HB1 ASP 25 1.708 -5.160 12.766 194 H GLY 26 HN GLY 26 3.019 -7.138 10.014 195 1HA GLY 26 HA2 GLY 26 4.874 -7.896 12.106 196 2HA GLY 26 HA1 GLY 26 4.289 -8.926 10.807 197 H LEU 27 HN LEU 27 4.997 -6.792 8.825 198 HA LEU 27 HA LEU 27 7.870 -7.360 8.706 199 1HB LEU 27 HB2 LEU 27 5.759 -6.951 6.609 200 2HB LEU 27 HB1 LEU 27 7.456 -6.789 6.234 201 HG LEU 27 HG LEU 27 7.168 -9.259 7.570 202 1HD1 LEU 27 HD11 LEU 27 5.493 -9.669 5.253 203 2HD1 LEU 27 HD12 LEU 27 4.727 -8.592 6.423 204 3HD1 LEU 27 HD13 LEU 27 5.264 -10.198 6.921 205 1HD2 LEU 27 HD21 LEU 27 7.585 -10.009 5.063 206 2HD2 LEU 27 HD22 LEU 27 8.842 -9.232 6.025 207 3HD2 LEU 27 HD23 LEU 27 7.909 -8.287 4.865 208 H LEU 28 HN LEU 28 8.440 -5.528 9.988 209 HA LEU 28 HA LEU 28 7.549 -2.913 9.476 210 1HB LEU 28 HB2 LEU 28 9.205 -4.103 11.345 211 2HB LEU 28 HB1 LEU 28 10.297 -3.054 10.450 212 HG LEU 28 HG LEU 28 8.024 -1.491 10.978 213 1HD1 LEU 28 HD11 LEU 28 7.091 -2.475 12.764 214 2HD1 LEU 28 HD12 LEU 28 8.456 -1.779 13.637 215 3HD1 LEU 28 HD13 LEU 28 8.518 -3.458 13.097 216 1HD2 LEU 28 HD21 LEU 28 10.669 -1.165 11.004 217 2HD2 LEU 28 HD22 LEU 28 10.388 -1.280 12.741 218 3HD2 LEU 28 HD23 LEU 28 9.561 -0.044 11.795 219 H PHE 29 HN PHE 29 8.048 -1.477 7.960 220 HA PHE 29 HA PHE 29 10.119 -2.195 6.030 221 1HB PHE 29 HB2 PHE 29 7.680 -1.454 5.434 222 2HB PHE 29 HB1 PHE 29 8.293 0.170 5.729 223 HD1 PHE 29 HD1 PHE 29 9.081 -2.914 3.795 224 HD2 PHE 29 HD2 PHE 29 9.295 1.331 4.007 225 HE1 PHE 29 HE1 PHE 29 10.005 -2.851 1.516 226 HE2 PHE 29 HE2 PHE 29 10.218 1.401 1.728 227 HZ PHE 29 HZ PHE 29 10.574 -0.691 0.479 228 H MET 30 HN MET 30 12.001 -1.623 6.947 229 HA MET 30 HA MET 30 12.275 1.168 7.831 230 1HB MET 30 HB2 MET 30 14.414 -0.737 8.530 231 2HB MET 30 HB1 MET 30 13.634 0.497 9.506 232 1HG MET 30 HG2 MET 30 11.883 -0.920 10.106 233 2HG MET 30 HG1 MET 30 12.247 -2.060 8.813 234 1HE MET 30 HE1 MET 30 14.144 -0.207 11.609 235 2HE MET 30 HE2 MET 30 15.513 -0.817 10.680 236 3HE MET 30 HE3 MET 30 15.193 -1.447 12.296 237 H SER 31 HN SER 31 12.559 1.974 5.833 238 HA SER 31 HA SER 31 14.755 1.095 4.164 239 1HB SER 31 HB2 SER 31 12.496 1.845 3.326 240 2HB SER 31 HB1 SER 31 12.931 3.479 3.828 241 HG SER 31 HG SER 31 13.690 3.509 1.835 242 H GLU 32 HN GLU 32 13.764 4.341 5.220 243 HA GLU 32 HA GLU 32 16.584 4.985 5.663 244 1HB GLU 32 HB2 GLU 32 14.594 7.177 5.629 245 2HB GLU 32 HB1 GLU 32 16.179 7.065 4.861 246 1HG GLU 32 HG2 GLU 32 13.933 5.426 3.797 247 2HG GLU 32 HG1 GLU 32 13.989 7.157 3.443 248 H SER 33 HN SER 33 13.751 4.152 7.118 249 HA SER 33 HA SER 33 14.735 4.455 9.754 250 1HB SER 33 HB2 SER 33 13.453 6.743 8.807 251 2HB SER 33 HB1 SER 33 12.213 5.912 9.745 252 HG SER 33 HG SER 33 13.268 7.057 11.243 253 H GLU 34 HN GLU 34 13.478 3.262 11.247 254 HA GLU 34 HA GLU 34 11.968 1.162 10.098 255 1HB GLU 34 HB2 GLU 34 12.232 0.148 12.097 256 2HB GLU 34 HB1 GLU 34 13.341 1.466 12.427 257 1HG GLU 34 HG2 GLU 34 10.469 1.830 13.099 258 2HG GLU 34 HG1 GLU 34 11.452 0.783 14.119 259 H TYR 35 HN TYR 35 9.927 1.186 9.464 260 HA TYR 35 HA TYR 35 7.907 2.542 11.023 261 1HB TYR 35 HB2 TYR 35 8.834 3.530 8.351 262 2HB TYR 35 HB1 TYR 35 7.133 3.695 8.791 263 HD1 TYR 35 HD1 TYR 35 10.404 5.089 9.105 264 HD2 TYR 35 HD2 TYR 35 6.595 4.902 10.992 265 HE1 TYR 35 HE1 TYR 35 10.936 7.130 10.368 266 HE2 TYR 35 HE2 TYR 35 7.117 6.946 12.259 267 HH TYR 35 HH TYR 35 9.225 9.071 11.536 268 HA PRO 36 HA PRO 36 5.788 -0.959 9.151 269 1HB PRO 36 HB2 PRO 36 3.899 -0.988 11.218 270 2HB PRO 36 HB1 PRO 36 5.415 -1.888 11.189 271 1HG PRO 36 HG2 PRO 36 4.728 0.223 12.938 272 2HG PRO 36 HG1 PRO 36 6.317 -0.535 12.758 273 1HD PRO 36 HD2 PRO 36 5.288 2.008 11.607 274 2HD PRO 36 HD1 PRO 36 6.942 1.566 12.080 275 H PHE 37 HN PHE 37 3.858 -1.333 8.158 276 HA PHE 37 HA PHE 37 2.594 0.844 6.976 277 1HB PHE 37 HB2 PHE 37 1.368 -1.896 7.139 278 2HB PHE 37 HB1 PHE 37 1.310 -0.737 5.810 279 HD1 PHE 37 HD1 PHE 37 4.082 0.043 5.461 280 HD2 PHE 37 HD2 PHE 37 2.424 -3.765 6.363 281 HE1 PHE 37 HE1 PHE 37 6.018 -1.048 4.408 282 HE2 PHE 37 HE2 PHE 37 4.339 -4.861 5.324 283 HZ PHE 37 HZ PHE 37 6.270 -3.398 4.441 284 H GLU 38 HN GLU 38 0.560 1.640 7.078 285 HA GLU 38 HA GLU 38 -1.139 1.052 9.398 286 1HB GLU 38 HB2 GLU 38 0.464 3.454 9.057 287 2HB GLU 38 HB1 GLU 38 -1.252 3.830 9.154 288 1HG GLU 38 HG2 GLU 38 -1.378 2.550 11.258 289 2HG GLU 38 HG1 GLU 38 0.364 2.288 11.170 290 H VAL 39 HN VAL 39 -3.110 0.706 8.655 291 HA VAL 39 HA VAL 39 -3.806 1.462 5.986 292 HB VAL 39 HB VAL 39 -5.348 -0.098 6.081 293 1HG1 VAL 39 HG11 VAL 39 -5.093 -1.753 7.853 294 2HG1 VAL 39 HG12 VAL 39 -4.280 -0.568 8.864 295 3HG1 VAL 39 HG13 VAL 39 -3.517 -1.122 7.379 296 1HG2 VAL 39 HG21 VAL 39 -7.051 -0.277 7.875 297 2HG2 VAL 39 HG22 VAL 39 -6.964 1.330 7.154 298 3HG2 VAL 39 HG23 VAL 39 -6.243 1.033 8.735 299 H PHE 40 HN PHE 40 -5.515 2.807 5.318 300 HA PHE 40 HA PHE 40 -7.014 4.307 7.166 301 1HB PHE 40 HB2 PHE 40 -6.130 6.555 6.701 302 2HB PHE 40 HB1 PHE 40 -4.974 5.530 7.531 303 HD1 PHE 40 HD1 PHE 40 -4.591 4.125 4.552 304 HD2 PHE 40 HD2 PHE 40 -4.103 7.971 6.305 305 HE1 PHE 40 HE1 PHE 40 -2.897 4.676 2.864 306 HE2 PHE 40 HE2 PHE 40 -2.409 8.529 4.613 307 HZ PHE 40 HZ PHE 40 -1.806 6.878 2.891 308 H LEU 41 HN LEU 41 -8.723 5.339 6.301 309 HA LEU 41 HA LEU 41 -9.472 4.609 3.649 310 1HB LEU 41 HB2 LEU 41 -11.583 5.042 4.319 311 2HB LEU 41 HB1 LEU 41 -10.853 4.979 5.910 312 HG LEU 41 HG LEU 41 -10.912 7.636 4.596 313 1HD1 LEU 41 HD11 LEU 41 -13.261 6.054 4.734 314 2HD1 LEU 41 HD12 LEU 41 -13.096 7.745 4.259 315 3HD1 LEU 41 HD13 LEU 41 -13.381 7.326 5.948 316 1HD2 LEU 41 HD21 LEU 41 -11.875 7.900 7.119 317 2HD2 LEU 41 HD22 LEU 41 -10.166 7.973 6.687 318 3HD2 LEU 41 HD23 LEU 41 -10.860 6.467 7.287 319 H TRP 42 HN TRP 42 -9.833 5.855 1.858 320 HA TRP 42 HA TRP 42 -9.242 8.722 1.991 321 1HB TRP 42 HB2 TRP 42 -7.672 6.679 0.537 322 2HB TRP 42 HB1 TRP 42 -7.995 8.183 -0.318 323 HD1 TRP 42 HD1 TRP 42 -6.590 7.058 3.086 324 HE1 TRP 42 HE1 TRP 42 -4.763 8.715 3.783 325 HE3 TRP 42 HE3 TRP 42 -6.954 10.328 -0.810 326 HZ2 TRP 42 HZ2 TRP 42 -3.610 11.113 2.803 327 HZ3 TRP 42 HZ3 TRP 42 -5.457 12.278 -0.864 328 HH2 TRP 42 HH2 TRP 42 -3.819 12.662 0.908 329 H GLU 43 HN GLU 43 -10.680 9.876 0.911 330 HA GLU 43 HA GLU 43 -12.678 8.607 -0.714 331 1HB GLU 43 HB2 GLU 43 -12.682 10.854 0.802 332 2HB GLU 43 HB1 GLU 43 -12.422 11.557 -0.790 333 1HG GLU 43 HG2 GLU 43 -14.654 9.637 -0.190 334 2HG GLU 43 HG1 GLU 43 -14.811 11.387 -0.028 335 H GLY 44 HN GLY 44 -9.766 10.482 -1.216 336 1HA GLY 44 HA2 GLY 44 -10.162 10.924 -4.023 337 2HA GLY 44 HA1 GLY 44 -8.655 11.129 -3.138 338 H SER 45 HN SER 45 -9.292 8.253 -2.158 339 HA SER 45 HA SER 45 -7.493 6.892 -3.806 340 1HB SER 45 HB2 SER 45 -8.007 6.232 -1.484 341 2HB SER 45 HB1 SER 45 -9.599 5.690 -2.006 342 HG SER 45 HG SER 45 -7.505 4.679 -3.475 343 H ALA 46 HN ALA 46 -8.374 4.570 -4.693 344 HA ALA 46 HA ALA 46 -9.767 3.407 -6.133 345 1HB ALA 46 HB1 ALA 46 -11.473 5.580 -5.420 346 2HB ALA 46 HB2 ALA 46 -11.899 3.985 -6.035 347 3HB ALA 46 HB3 ALA 46 -11.576 5.304 -7.159 348 HA PRO 47 HA PRO 47 -7.863 4.484 -9.985 349 1HB PRO 47 HB2 PRO 47 -9.776 3.794 -11.836 350 2HB PRO 47 HB1 PRO 47 -8.707 2.635 -11.039 351 1HG PRO 47 HG2 PRO 47 -11.535 3.363 -10.389 352 2HG PRO 47 HG1 PRO 47 -10.767 1.764 -10.413 353 1HD PRO 47 HD2 PRO 47 -11.214 3.073 -8.113 354 2HD PRO 47 HD1 PRO 47 -9.760 2.080 -8.349 355 HA PRO 48 HA PRO 48 -9.971 8.442 -10.690 356 1HB PRO 48 HB2 PRO 48 -7.910 10.026 -10.237 357 2HB PRO 48 HB1 PRO 48 -8.627 9.118 -8.898 358 1HG PRO 48 HG2 PRO 48 -6.096 8.612 -10.389 359 2HG PRO 48 HG1 PRO 48 -6.466 8.346 -8.682 360 1HD PRO 48 HD2 PRO 48 -6.542 6.426 -10.774 361 2HD PRO 48 HD1 PRO 48 -7.079 6.207 -9.096 362 H VAL 49 HN VAL 49 -7.688 10.284 -11.660 363 HA VAL 49 HA VAL 49 -8.125 9.856 -14.470 364 HB VAL 49 HB VAL 49 -6.619 11.923 -12.876 365 1HG1 VAL 49 HG11 VAL 49 -6.887 11.927 -15.874 366 2HG1 VAL 49 HG12 VAL 49 -5.437 11.395 -15.023 367 3HG1 VAL 49 HG13 VAL 49 -5.990 13.062 -14.866 368 1HG2 VAL 49 HG21 VAL 49 -8.479 13.112 -14.577 369 2HG2 VAL 49 HG22 VAL 49 -8.632 12.868 -12.837 370 3HG2 VAL 49 HG23 VAL 49 -9.282 11.670 -13.956 371 H THR 50 HN THR 50 -5.666 9.329 -12.095 372 HA THR 50 HA THR 50 -4.232 7.528 -13.776 373 HB THR 50 HB THR 50 -2.103 9.180 -13.037 374 HG1 THR 50 HG1 THR 50 -2.695 11.186 -14.023 375 1HG2 THR 50 HG21 THR 50 -3.423 8.964 -15.746 376 2HG2 THR 50 HG22 THR 50 -2.291 7.791 -15.072 377 3HG2 THR 50 HG23 THR 50 -1.753 9.432 -15.427 378 H HIS 51 HN HIS 51 -3.042 6.113 -12.521 379 HA HIS 51 HA HIS 51 -3.579 5.988 -9.779 380 1HB HIS 51 HB2 HIS 51 -1.157 4.709 -11.036 381 2HB HIS 51 HB1 HIS 51 -2.140 4.112 -9.703 382 HD1 HIS 51 HD1 HIS 51 -4.925 4.422 -11.105 383 HD2 HIS 51 HD2 HIS 51 -1.568 2.647 -12.794 384 HE1 HIS 51 HE1 HIS 51 -5.804 2.879 -12.886 385 HE2 HIS 51 HE2 HIS 51 -3.750 1.905 -13.969 386 H GLU 52 HN GLU 52 -3.112 8.084 -9.009 387 HA GLU 52 HA GLU 52 -0.860 8.441 -7.514 388 1HB GLU 52 HB2 GLU 52 0.484 10.072 -8.772 389 2HB GLU 52 HB1 GLU 52 0.451 8.512 -9.579 390 1HG GLU 52 HG2 GLU 52 -1.253 9.353 -11.123 391 2HG GLU 52 HG1 GLU 52 -1.196 10.921 -10.320 392 H ILE 53 HN ILE 53 -3.715 9.457 -8.863 393 HA ILE 53 HA ILE 53 -3.860 12.191 -8.492 394 HB ILE 53 HB ILE 53 -5.700 10.084 -8.905 395 1HG1 ILE 53 HG12 ILE 53 -5.410 12.148 -10.261 396 2HG1 ILE 53 HG11 ILE 53 -7.091 11.816 -9.854 397 1HG2 ILE 53 HG21 ILE 53 -6.677 11.984 -6.787 398 2HG2 ILE 53 HG22 ILE 53 -6.315 10.275 -6.545 399 3HG2 ILE 53 HG23 ILE 53 -7.635 10.754 -7.613 400 1HD1 ILE 53 HD11 ILE 53 -5.698 13.565 -7.962 401 2HD1 ILE 53 HD12 ILE 53 -7.306 13.702 -8.674 402 3HD1 ILE 53 HD13 ILE 53 -5.890 14.221 -9.588 403 H VAL 54 HN VAL 54 -4.224 9.624 -6.114 404 HA VAL 54 HA VAL 54 -5.148 11.026 -3.946 405 HB VAL 54 HB VAL 54 -3.238 8.733 -4.158 406 1HG1 VAL 54 HG11 VAL 54 -3.784 10.387 -1.775 407 2HG1 VAL 54 HG12 VAL 54 -2.365 9.428 -2.195 408 3HG1 VAL 54 HG13 VAL 54 -3.807 8.638 -1.557 409 1HG2 VAL 54 HG21 VAL 54 -5.037 7.426 -3.452 410 2HG2 VAL 54 HG22 VAL 54 -5.773 8.611 -4.531 411 3HG2 VAL 54 HG23 VAL 54 -5.900 8.812 -2.783 412 H LEU 55 HN LEU 55 -2.000 11.104 -5.420 413 HA LEU 55 HA LEU 55 -0.582 12.400 -3.349 414 1HB LEU 55 HB2 LEU 55 -0.139 12.237 -6.320 415 2HB LEU 55 HB1 LEU 55 0.956 13.083 -5.254 416 HG LEU 55 HG LEU 55 0.333 10.240 -4.630 417 1HD1 LEU 55 HD11 LEU 55 2.615 10.303 -6.307 418 2HD1 LEU 55 HD12 LEU 55 1.265 11.034 -7.175 419 3HD1 LEU 55 HD13 LEU 55 1.111 9.406 -6.520 420 1HD2 LEU 55 HD21 LEU 55 3.109 10.996 -4.585 421 2HD2 LEU 55 HD22 LEU 55 2.074 10.464 -3.258 422 3HD2 LEU 55 HD23 LEU 55 2.139 12.170 -3.693 423 H GLN 56 HN GLN 56 -1.962 13.728 -6.358 424 HA GLN 56 HA GLN 56 -1.428 16.391 -6.013 425 1HB GLN 56 HB2 GLN 56 -4.166 16.122 -6.888 426 2HB GLN 56 HB1 GLN 56 -2.764 16.671 -7.779 427 1HG GLN 56 HG2 GLN 56 -3.578 13.806 -7.394 428 2HG GLN 56 HG1 GLN 56 -3.861 14.767 -8.838 429 1HE2 GLN 56 HE21 GLN 56 -2.600 12.482 -9.177 430 2HE2 GLN 56 HE22 GLN 56 -0.917 12.721 -9.460 431 H GLN 57 HN GLN 57 -3.705 14.450 -4.296 432 HA GLN 57 HA GLN 57 -5.133 16.687 -3.178 433 1HB GLN 57 HB2 GLN 57 -5.343 14.147 -1.738 434 2HB GLN 57 HB1 GLN 57 -6.600 15.176 -2.407 435 1HG GLN 57 HG2 GLN 57 -5.292 14.028 -4.600 436 2HG GLN 57 HG1 GLN 57 -5.516 12.737 -3.424 437 1HE2 GLN 57 HE21 GLN 57 -6.989 11.743 -4.830 438 2HE2 GLN 57 HE22 GLN 57 -8.607 12.329 -4.999 439 H THR 58 HN THR 58 -2.466 14.635 -2.196 440 HA THR 58 HA THR 58 -2.364 15.947 0.416 441 HB THR 58 HB THR 58 -0.240 14.027 -0.080 442 HG1 THR 58 HG1 THR 58 -1.978 12.270 0.061 443 1HG2 THR 58 HG21 THR 58 -0.878 13.196 2.036 444 2HG2 THR 58 HG22 THR 58 -2.513 13.837 1.883 445 3HG2 THR 58 HG23 THR 58 -1.155 14.936 2.122 446 H GLY 59 HN GLY 59 0.399 14.797 -1.471 447 1HA GLY 59 HA2 GLY 59 1.510 17.540 -1.346 448 2HA GLY 59 HA1 GLY 59 2.483 16.105 -1.062 449 H HIS 60 HN HIS 60 0.543 15.085 -3.356 450 HA HIS 60 HA HIS 60 0.761 14.583 -5.543 451 1HB HIS 60 HB2 HIS 60 1.900 16.961 -6.618 452 2HB HIS 60 HB1 HIS 60 0.260 16.364 -6.777 453 HD1 HIS 60 HD1 HIS 60 -0.870 16.869 -4.012 454 HD2 HIS 60 HD2 HIS 60 1.605 19.565 -5.980 455 HE1 HIS 60 HE1 HIS 60 -1.347 19.107 -2.969 456 HE2 HIS 60 HE2 HIS 60 0.214 20.710 -4.127 457 H GLY 61 HN GLY 61 2.297 13.050 -5.709 458 1HA GLY 61 HA2 GLY 61 5.072 13.516 -5.368 459 2HA GLY 61 HA1 GLY 61 4.344 12.086 -6.089 460 H GLN 62 HN GLN 62 3.040 14.415 -7.845 461 HA GLN 62 HA GLN 62 4.926 14.066 -10.013 462 1HB GLN 62 HB2 GLN 62 2.789 15.932 -10.590 463 2HB GLN 62 HB1 GLN 62 3.150 14.386 -11.343 464 1HG GLN 62 HG2 GLN 62 1.584 14.739 -8.793 465 2HG GLN 62 HG1 GLN 62 0.885 14.498 -10.393 466 1HE2 GLN 62 HE21 GLN 62 0.317 12.829 -8.297 467 2HE2 GLN 62 HE22 GLN 62 1.004 11.274 -8.594 468 H ASP 63 HN ASP 63 4.946 15.967 -7.456 469 HA ASP 63 HA ASP 63 6.567 17.990 -8.731 470 1HB ASP 63 HB2 ASP 63 3.993 18.656 -8.613 471 2HB ASP 63 HB1 ASP 63 4.432 19.085 -6.963 472 H ALA 64 HN ALA 64 5.667 16.082 -6.104 473 HA ALA 64 HA ALA 64 7.145 17.615 -4.125 474 1HB ALA 64 HB1 ALA 64 6.490 15.511 -2.717 475 2HB ALA 64 HB2 ALA 64 5.363 15.224 -4.043 476 3HB ALA 64 HB3 ALA 64 5.276 16.725 -3.121 477 HA PRO 65 HA PRO 65 11.082 15.694 -4.141 478 1HB PRO 65 HB2 PRO 65 11.119 14.512 -1.627 479 2HB PRO 65 HB1 PRO 65 11.683 16.127 -2.048 480 1HG PRO 65 HG2 PRO 65 9.063 15.255 -0.925 481 2HG PRO 65 HG1 PRO 65 10.020 16.702 -0.547 482 1HD PRO 65 HD2 PRO 65 7.860 16.874 -2.095 483 2HD PRO 65 HD1 PRO 65 9.329 17.776 -2.536 484 H PHE 66 HN PHE 66 8.333 13.679 -3.888 485 HA PHE 66 HA PHE 66 9.919 11.530 -4.943 486 1HB PHE 66 HB2 PHE 66 9.381 11.366 -2.262 487 2HB PHE 66 HB1 PHE 66 8.201 10.321 -3.002 488 HD1 PHE 66 HD1 PHE 66 11.717 10.913 -2.379 489 HD2 PHE 66 HD2 PHE 66 8.897 8.322 -4.250 490 HE1 PHE 66 HE1 PHE 66 13.467 9.205 -2.637 491 HE2 PHE 66 HE2 PHE 66 10.649 6.616 -4.512 492 HZ PHE 66 HZ PHE 66 12.934 7.051 -3.706 493 H LYS 67 HN LYS 67 8.305 9.503 -5.244 494 HA LYS 67 HA LYS 67 6.059 10.563 -6.781 495 1HB LYS 67 HB2 LYS 67 7.758 8.199 -7.549 496 2HB LYS 67 HB1 LYS 67 6.533 8.994 -8.528 497 1HG LYS 67 HG2 LYS 67 8.318 11.023 -7.914 498 2HG LYS 67 HG1 LYS 67 9.340 9.617 -8.218 499 1HD LYS 67 HD2 LYS 67 9.030 10.742 -10.300 500 2HD LYS 67 HD1 LYS 67 8.065 9.265 -10.349 501 1HE LYS 67 HE2 LYS 67 6.071 10.580 -9.739 502 2HE LYS 67 HE1 LYS 67 7.049 12.047 -9.770 503 1HZ LYS 67 HZ1 LYS 67 6.865 12.165 -11.964 504 2HZ LYS 67 HZ2 LYS 67 5.700 10.943 -11.880 505 3HZ LYS 67 HZ3 LYS 67 7.316 10.549 -12.180 506 H VAL 68 HN VAL 68 4.876 8.486 -7.711 507 HA VAL 68 HA VAL 68 3.731 7.192 -5.371 508 HB VAL 68 HB VAL 68 2.012 8.074 -6.608 509 1HG1 VAL 68 HG11 VAL 68 2.119 7.574 -9.249 510 2HG1 VAL 68 HG12 VAL 68 3.843 7.645 -8.878 511 3HG1 VAL 68 HG13 VAL 68 2.805 9.018 -8.500 512 1HG2 VAL 68 HG21 VAL 68 2.154 5.480 -8.104 513 2HG2 VAL 68 HG22 VAL 68 0.740 6.318 -7.464 514 3HG2 VAL 68 HG23 VAL 68 1.861 5.514 -6.366 515 H VAL 69 HN VAL 69 4.058 5.186 -4.857 516 HA VAL 69 HA VAL 69 5.302 3.319 -6.762 517 HB VAL 69 HB VAL 69 5.180 2.021 -4.303 518 1HG1 VAL 69 HG11 VAL 69 7.476 3.659 -5.362 519 2HG1 VAL 69 HG12 VAL 69 7.025 2.063 -5.962 520 3HG1 VAL 69 HG13 VAL 69 7.569 2.258 -4.295 521 1HG2 VAL 69 HG21 VAL 69 6.118 3.615 -2.696 522 2HG2 VAL 69 HG22 VAL 69 4.507 4.106 -3.210 523 3HG2 VAL 69 HG23 VAL 69 5.928 4.912 -3.879 524 H ASP 70 HN ASP 70 4.463 0.892 -5.895 525 HA ASP 70 HA ASP 70 1.524 1.074 -6.037 526 1HB ASP 70 HB2 ASP 70 3.253 0.045 -8.016 527 2HB ASP 70 HB1 ASP 70 2.424 -1.335 -7.302 528 H ILE 71 HN ILE 71 0.338 -0.753 -5.309 529 HA ILE 71 HA ILE 71 0.712 -1.571 -2.773 530 HB ILE 71 HB ILE 71 -1.244 -1.919 -4.300 531 1HG1 ILE 71 HG12 ILE 71 -2.197 -3.092 -2.664 532 2HG1 ILE 71 HG11 ILE 71 -1.232 -4.526 -3.023 533 1HG2 ILE 71 HG21 ILE 71 0.243 -3.281 -5.915 534 2HG2 ILE 71 HG22 ILE 71 -1.459 -3.689 -5.721 535 3HG2 ILE 71 HG23 ILE 71 -0.226 -4.643 -4.898 536 1HD1 ILE 71 HD11 ILE 71 -0.643 -2.277 -1.111 537 2HD1 ILE 71 HD12 ILE 71 0.614 -3.382 -1.663 538 3HD1 ILE 71 HD13 ILE 71 -0.781 -4.006 -0.782 539 H ASP 72 HN ASP 72 1.661 -3.581 -5.551 540 HA ASP 72 HA ASP 72 3.157 -5.327 -3.815 541 1HB ASP 72 HB2 ASP 72 1.968 -6.487 -5.479 542 2HB ASP 72 HB1 ASP 72 2.438 -5.345 -6.734 543 H SER 73 HN SER 73 3.681 -2.528 -5.688 544 HA SER 73 HA SER 73 6.435 -3.032 -6.296 545 1HB SER 73 HB2 SER 73 4.489 -0.987 -6.913 546 2HB SER 73 HB1 SER 73 6.039 -0.274 -6.465 547 HG SER 73 HG SER 73 5.349 -1.769 -8.677 548 H PHE 74 HN PHE 74 4.897 -0.609 -4.068 549 HA PHE 74 HA PHE 74 7.373 0.072 -2.898 550 1HB PHE 74 HB2 PHE 74 5.346 1.470 -2.708 551 2HB PHE 74 HB1 PHE 74 4.631 0.255 -1.655 552 HD1 PHE 74 HD1 PHE 74 7.428 2.661 -1.945 553 HD2 PHE 74 HD2 PHE 74 5.110 0.194 0.634 554 HE1 PHE 74 HE1 PHE 74 8.481 3.721 0.006 555 HE2 PHE 74 HE2 PHE 74 6.159 1.249 2.590 556 HZ PHE 74 HZ PHE 74 7.847 3.016 2.279 557 H PHE 75 HN PHE 75 5.255 -2.582 -2.484 558 HA PHE 75 HA PHE 75 6.652 -3.404 -0.047 559 1HB PHE 75 HB2 PHE 75 4.084 -4.449 -1.256 560 2HB PHE 75 HB1 PHE 75 4.810 -5.020 0.248 561 HD1 PHE 75 HD1 PHE 75 3.464 -1.959 -1.391 562 HD2 PHE 75 HD2 PHE 75 4.352 -3.978 2.243 563 HE1 PHE 75 HE1 PHE 75 2.246 -0.209 -0.138 564 HE2 PHE 75 HE2 PHE 75 3.167 -2.263 3.511 565 HZ PHE 75 HZ PHE 75 2.240 -0.212 2.238 566 H SER 76 HN SER 76 7.050 -3.586 -3.173 567 HA SER 76 HA SER 76 7.595 -6.369 -3.622 568 1HB SER 76 HB2 SER 76 7.515 -4.082 -5.259 569 2HB SER 76 HB1 SER 76 9.213 -4.556 -5.243 570 HG SER 76 HG SER 76 8.177 -5.655 -6.891 571 H ARG 77 HN ARG 77 9.402 -3.443 -2.941 572 HA ARG 77 HA ARG 77 11.958 -4.516 -2.621 573 1HB ARG 77 HB2 ARG 77 11.822 -2.543 -0.675 574 2HB ARG 77 HB1 ARG 77 12.279 -2.297 -2.352 575 1HG ARG 77 HG2 ARG 77 9.382 -2.219 -1.707 576 2HG ARG 77 HG1 ARG 77 10.381 -0.872 -1.167 577 1HD ARG 77 HD2 ARG 77 10.055 -1.878 -3.988 578 2HD ARG 77 HD1 ARG 77 9.481 -0.347 -3.329 579 HE ARG 77 HE ARG 77 12.247 -0.460 -2.969 580 1HH1 ARG 77 HH11 ARG 77 9.935 -0.283 -5.572 581 2HH1 ARG 77 HH12 ARG 77 11.014 0.545 -6.644 582 1HH2 ARG 77 HH21 ARG 77 13.671 0.628 -4.374 583 2HH2 ARG 77 HH22 ARG 77 13.138 1.062 -5.964 584 H ALA 78 HN ALA 78 9.101 -4.919 -0.883 585 HA ALA 78 HA ALA 78 10.377 -5.877 1.536 586 1HB ALA 78 HB1 ALA 78 8.012 -4.558 1.138 587 2HB ALA 78 HB2 ALA 78 8.433 -5.473 2.585 588 3HB ALA 78 HB3 ALA 78 7.489 -6.236 1.302 589 H THR 79 HN THR 79 11.332 -7.772 0.972 590 HA THR 79 HA THR 79 11.183 -10.123 1.062 591 HB THR 79 HB THR 79 8.678 -10.041 -0.600 592 HG1 THR 79 HG1 THR 79 8.946 -10.125 2.242 593 1HG2 THR 79 HG21 THR 79 9.173 -12.230 -0.688 594 2HG2 THR 79 HG22 THR 79 8.629 -12.271 0.988 595 3HG2 THR 79 HG23 THR 79 10.347 -12.112 0.622 596 H THR 80 HN THR 80 11.306 -7.928 -1.461 597 HA THR 80 HA THR 80 11.589 -9.591 -3.702 598 HB THR 80 HB THR 80 11.307 -7.143 -3.870 599 HG1 THR 80 HG1 THR 80 13.754 -7.658 -5.135 600 1HG2 THR 80 HG21 THR 80 13.085 -6.780 -1.990 601 2HG2 THR 80 HG22 THR 80 12.932 -5.599 -3.292 602 3HG2 THR 80 HG23 THR 80 14.228 -6.795 -3.333 603 HA PRO 81 HA PRO 81 15.542 -11.494 -3.105 604 1HB PRO 81 HB2 PRO 81 15.648 -11.758 -6.027 605 2HB PRO 81 HB1 PRO 81 15.502 -13.019 -4.800 606 1HG PRO 81 HG2 PRO 81 13.434 -12.437 -6.379 607 2HG PRO 81 HG1 PRO 81 13.189 -12.794 -4.669 608 1HD PRO 81 HD2 PRO 81 13.367 -10.135 -5.983 609 2HD PRO 81 HD1 PRO 81 12.115 -10.740 -4.886 610 H GLN 82 HN GLN 82 17.303 -10.359 -2.638 611 HA GLN 82 HA GLN 82 18.130 -7.948 -3.563 612 1HB GLN 82 HB2 GLN 82 20.330 -9.919 -3.277 613 2HB GLN 82 HB1 GLN 82 20.134 -8.342 -2.535 614 1HG GLN 82 HG2 GLN 82 19.844 -9.560 -0.675 615 2HG GLN 82 HG1 GLN 82 18.188 -9.677 -1.266 616 1HE2 GLN 82 HE21 GLN 82 18.743 -11.444 -3.424 617 2HE2 GLN 82 HE22 GLN 82 19.105 -12.991 -2.746 618 H ASP 83 HN ASP 83 18.686 -11.094 -4.978 619 HA ASP 83 HA ASP 83 18.435 -10.603 -7.572 620 1HB ASP 83 HB2 ASP 83 20.812 -9.240 -6.692 621 2HB ASP 83 HB1 ASP 83 21.250 -10.518 -7.825 622 H TRP 84 HN TRP 84 20.233 -12.205 -5.101 623 HA TRP 84 HA TRP 84 20.718 -14.439 -6.927 624 1HB TRP 84 HB2 TRP 84 22.321 -15.119 -4.979 625 2HB TRP 84 HB1 TRP 84 22.796 -13.907 -6.166 626 HD1 TRP 84 HD1 TRP 84 21.223 -14.019 -2.620 627 HE1 TRP 84 HE1 TRP 84 22.031 -11.887 -1.382 628 HE3 TRP 84 HE3 TRP 84 23.739 -11.837 -6.431 629 HZ2 TRP 84 HZ2 TRP 84 23.553 -9.550 -2.010 630 HZ3 TRP 84 HZ3 TRP 84 24.810 -9.696 -6.093 631 HH2 TRP 84 HH2 TRP 84 24.740 -8.546 -3.924 632 H TYR 85 HN TYR 85 18.413 -13.668 -4.749 633 HA TYR 85 HA TYR 85 18.269 -15.481 -2.744 634 1HB TYR 85 HB2 TYR 85 16.301 -14.094 -4.396 635 2HB TYR 85 HB1 TYR 85 15.701 -15.624 -3.772 636 HD1 TYR 85 HD1 TYR 85 18.129 -14.144 -1.595 637 HD2 TYR 85 HD2 TYR 85 14.014 -14.028 -2.678 638 HE1 TYR 85 HE1 TYR 85 17.603 -13.056 0.541 639 HE2 TYR 85 HE2 TYR 85 13.480 -12.937 -0.541 640 HH TYR 85 HH TYR 85 15.870 -11.644 1.512 641 H GLU 86 HN GLU 86 16.140 -16.349 -5.345 642 HA GLU 86 HA GLU 86 17.619 -18.743 -5.995 643 1HB GLU 86 HB2 GLU 86 14.847 -19.394 -5.253 644 2HB GLU 86 HB1 GLU 86 16.325 -20.306 -4.999 645 1HG GLU 86 HG2 GLU 86 16.851 -18.639 -3.157 646 2HG GLU 86 HG1 GLU 86 15.174 -18.118 -3.311 647 H ASP 87 HN ASP 87 17.157 -19.384 -8.061 648 HA ASP 87 HA ASP 87 15.953 -17.639 -9.807 649 1HB ASP 87 HB2 ASP 87 16.712 -20.505 -9.928 650 2HB ASP 87 HB1 ASP 87 15.551 -19.967 -11.140 651 H GLU 88 HN GLU 88 14.523 -19.993 -7.737 652 HA GLU 88 HA GLU 88 11.924 -19.817 -8.998 653 1HB GLU 88 HB2 GLU 88 11.238 -21.269 -7.028 654 2HB GLU 88 HB1 GLU 88 12.393 -21.974 -8.150 655 1HG GLU 88 HG2 GLU 88 14.157 -21.777 -6.657 656 2HG GLU 88 HG1 GLU 88 13.328 -20.559 -5.690 657 H GLU 89 HN GLU 89 13.439 -18.937 -5.933 658 HA GLU 89 HA GLU 89 11.211 -17.656 -4.808 659 1HB GLU 89 HB2 GLU 89 14.020 -17.949 -4.219 660 2HB GLU 89 HB1 GLU 89 13.415 -16.373 -3.765 661 1HG GLU 89 HG2 GLU 89 13.169 -17.733 -1.869 662 2HG GLU 89 HG1 GLU 89 11.559 -17.534 -2.554 663 H ASN 90 HN ASN 90 13.377 -16.606 -7.286 664 HA ASN 90 HA ASN 90 13.322 -13.880 -6.816 665 1HB ASN 90 HB2 ASN 90 13.930 -15.586 -9.058 666 2HB ASN 90 HB1 ASN 90 12.959 -14.227 -9.617 667 1HD2 ASN 90 HD21 ASN 90 15.447 -14.530 -7.109 668 2HD2 ASN 90 HD22 ASN 90 16.475 -13.293 -7.738 669 H ALA 91 HN ALA 91 11.165 -15.857 -8.774 670 HA ALA 91 HA ALA 91 9.108 -13.819 -8.766 671 1HB ALA 91 HB1 ALA 91 7.973 -15.138 -10.367 672 2HB ALA 91 HB2 ALA 91 8.912 -16.573 -9.959 673 3HB ALA 91 HB3 ALA 91 9.684 -15.221 -10.788 674 H VAL 92 HN VAL 92 9.996 -16.547 -6.869 675 HA VAL 92 HA VAL 92 7.285 -17.150 -6.027 676 HB VAL 92 HB VAL 92 9.988 -18.200 -5.274 677 1HG1 VAL 92 HG11 VAL 92 9.381 -18.345 -3.121 678 2HG1 VAL 92 HG12 VAL 92 8.324 -19.647 -3.665 679 3HG1 VAL 92 HG13 VAL 92 7.686 -18.014 -3.478 680 1HG2 VAL 92 HG21 VAL 92 9.305 -20.097 -6.283 681 2HG2 VAL 92 HG22 VAL 92 8.154 -19.019 -7.071 682 3HG2 VAL 92 HG23 VAL 92 7.659 -19.960 -5.665 683 H VAL 93 HN VAL 93 10.147 -15.580 -4.741 684 HA VAL 93 HA VAL 93 9.144 -14.917 -2.251 685 HB VAL 93 HB VAL 93 11.528 -14.457 -3.532 686 1HG1 VAL 93 HG11 VAL 93 10.112 -11.833 -3.192 687 2HG1 VAL 93 HG12 VAL 93 10.874 -12.483 -4.643 688 3HG1 VAL 93 HG13 VAL 93 11.868 -11.981 -3.275 689 1HG2 VAL 93 HG21 VAL 93 11.796 -12.953 -1.286 690 2HG2 VAL 93 HG22 VAL 93 11.863 -14.715 -1.330 691 3HG2 VAL 93 HG23 VAL 93 10.359 -13.900 -0.903 692 H ALA 94 HN ALA 94 8.898 -13.306 -5.401 693 HA ALA 94 HA ALA 94 7.560 -10.965 -4.507 694 1HB ALA 94 HB1 ALA 94 7.853 -10.445 -6.651 695 2HB ALA 94 HB2 ALA 94 6.647 -11.645 -7.111 696 3HB ALA 94 HB3 ALA 94 8.347 -12.100 -7.005 697 H LYS 95 HN LYS 95 6.477 -14.240 -5.252 698 HA LYS 95 HA LYS 95 3.737 -13.819 -5.488 699 1HB LYS 95 HB2 LYS 95 4.961 -16.120 -3.953 700 2HB LYS 95 HB1 LYS 95 3.395 -16.089 -4.746 701 1HG LYS 95 HG2 LYS 95 6.101 -16.114 -6.050 702 2HG LYS 95 HG1 LYS 95 4.890 -17.394 -6.061 703 1HD LYS 95 HD2 LYS 95 4.000 -14.783 -7.096 704 2HD LYS 95 HD1 LYS 95 5.233 -15.608 -8.055 705 1HE LYS 95 HE2 LYS 95 3.349 -16.511 -8.983 706 2HE LYS 95 HE1 LYS 95 3.634 -17.676 -7.690 707 1HZ LYS 95 HZ1 LYS 95 1.356 -16.160 -8.124 708 2HZ LYS 95 HZ2 LYS 95 2.070 -15.530 -6.727 709 3HZ LYS 95 HZ3 LYS 95 1.681 -17.174 -6.809 710 H PHE 96 HN PHE 96 5.829 -13.894 -2.666 711 HA PHE 96 HA PHE 96 3.747 -13.813 -0.741 712 1HB PHE 96 HB2 PHE 96 6.316 -14.294 -0.428 713 2HB PHE 96 HB1 PHE 96 6.422 -12.548 -0.223 714 HD1 PHE 96 HD1 PHE 96 4.472 -11.624 1.430 715 HD2 PHE 96 HD2 PHE 96 6.198 -15.515 1.502 716 HE1 PHE 96 HE1 PHE 96 3.832 -11.861 3.795 717 HE2 PHE 96 HE2 PHE 96 5.560 -15.759 3.865 718 HZ PHE 96 HZ PHE 96 4.375 -13.931 5.015 719 H GLN 97 HN GLN 97 5.882 -11.228 -1.976 720 HA GLN 97 HA GLN 97 4.764 -9.019 -0.826 721 1HB GLN 97 HB2 GLN 97 5.542 -9.277 -3.743 722 2HB GLN 97 HB1 GLN 97 5.541 -7.805 -2.803 723 1HG GLN 97 HG2 GLN 97 7.440 -8.387 -1.630 724 2HG GLN 97 HG1 GLN 97 7.237 -10.103 -1.970 725 1HE2 GLN 97 HE21 GLN 97 9.325 -10.283 -2.687 726 2HE2 GLN 97 HE22 GLN 97 9.815 -9.685 -4.225 727 H LYS 98 HN LYS 98 3.470 -11.093 -3.268 728 HA LYS 98 HA LYS 98 1.309 -9.398 -4.113 729 1HB LYS 98 HB2 LYS 98 2.221 -12.194 -4.592 730 2HB LYS 98 HB1 LYS 98 0.549 -11.789 -4.973 731 1HG LYS 98 HG2 LYS 98 1.814 -9.746 -6.183 732 2HG LYS 98 HG1 LYS 98 3.039 -11.011 -6.325 733 1HD LYS 98 HD2 LYS 98 0.260 -11.785 -6.946 734 2HD LYS 98 HD1 LYS 98 1.044 -10.689 -8.087 735 1HE LYS 98 HE2 LYS 98 2.952 -12.657 -7.484 736 2HE LYS 98 HE1 LYS 98 1.430 -13.519 -7.716 737 1HZ LYS 98 HZ1 LYS 98 1.368 -13.008 -9.894 738 2HZ LYS 98 HZ2 LYS 98 3.042 -12.839 -9.710 739 3HZ LYS 98 HZ3 LYS 98 2.047 -11.471 -9.684 740 H LEU 99 HN LEU 99 1.434 -12.514 -2.403 741 HA LEU 99 HA LEU 99 -1.199 -12.623 -1.606 742 1HB LEU 99 HB2 LEU 99 1.324 -13.842 -0.627 743 2HB LEU 99 HB1 LEU 99 -0.055 -13.897 0.453 744 HG LEU 99 HG LEU 99 -0.137 -15.941 -0.675 745 1HD1 LEU 99 HD11 LEU 99 -2.277 -15.847 -1.264 746 2HD1 LEU 99 HD12 LEU 99 -1.914 -14.849 -2.671 747 3HD1 LEU 99 HD13 LEU 99 -2.168 -14.095 -1.098 748 1HD2 LEU 99 HD21 LEU 99 0.417 -14.442 -3.230 749 2HD2 LEU 99 HD22 LEU 99 0.099 -16.172 -3.109 750 3HD2 LEU 99 HD23 LEU 99 1.540 -15.485 -2.359 751 H LEU 100 HN LEU 100 1.310 -10.613 -0.581 752 HA LEU 100 HA LEU 100 0.431 -9.967 2.023 753 1HB LEU 100 HB2 LEU 100 2.569 -9.237 1.705 754 2HB LEU 100 HB1 LEU 100 2.271 -8.913 0.011 755 HG LEU 100 HG LEU 100 0.791 -6.996 1.371 756 1HD1 LEU 100 HD11 LEU 100 2.404 -7.780 3.281 757 2HD1 LEU 100 HD12 LEU 100 2.080 -6.066 3.022 758 3HD1 LEU 100 HD13 LEU 100 3.570 -6.784 2.409 759 1HD2 LEU 100 HD21 LEU 100 1.856 -6.660 -0.765 760 2HD2 LEU 100 HD22 LEU 100 3.450 -6.815 -0.023 761 3HD2 LEU 100 HD23 LEU 100 2.422 -5.440 0.377 762 H GLU 101 HN GLU 101 0.185 -8.111 -1.041 763 HA GLU 101 HA GLU 101 -1.570 -6.203 -0.007 764 1HB GLU 101 HB2 GLU 101 -1.963 -5.518 -2.186 765 2HB GLU 101 HB1 GLU 101 -0.309 -6.119 -2.178 766 1HG GLU 101 HG2 GLU 101 -1.724 -8.320 -2.936 767 2HG GLU 101 HG1 GLU 101 -2.655 -7.012 -3.664 768 H VAL 102 HN VAL 102 -2.173 -9.319 -1.411 769 HA VAL 102 HA VAL 102 -4.995 -8.870 -1.567 770 HB VAL 102 HB VAL 102 -3.369 -10.251 -3.043 771 1HG1 VAL 102 HG11 VAL 102 -4.362 -12.491 -1.290 772 2HG1 VAL 102 HG12 VAL 102 -2.790 -11.735 -1.042 773 3HG1 VAL 102 HG13 VAL 102 -3.147 -12.545 -2.568 774 1HG2 VAL 102 HG21 VAL 102 -5.933 -9.934 -3.159 775 2HG2 VAL 102 HG22 VAL 102 -6.003 -11.581 -2.532 776 3HG2 VAL 102 HG23 VAL 102 -5.186 -11.253 -4.060 777 H ILE 103 HN ILE 103 -2.819 -10.421 0.717 778 HA ILE 103 HA ILE 103 -5.128 -11.474 2.208 779 HB ILE 103 HB ILE 103 -2.179 -11.979 2.536 780 1HG1 ILE 103 HG12 ILE 103 -4.376 -13.963 1.974 781 2HG1 ILE 103 HG11 ILE 103 -3.531 -13.112 0.686 782 1HG2 ILE 103 HG21 ILE 103 -2.975 -13.691 4.253 783 2HG2 ILE 103 HG22 ILE 103 -4.483 -12.778 4.287 784 3HG2 ILE 103 HG23 ILE 103 -2.969 -11.998 4.748 785 1HD1 ILE 103 HD11 ILE 103 -1.394 -14.038 1.642 786 2HD1 ILE 103 HD12 ILE 103 -2.489 -15.210 0.909 787 3HD1 ILE 103 HD13 ILE 103 -2.400 -15.063 2.665 788 H LYS 104 HN LYS 104 -2.642 -9.071 2.314 789 HA LYS 104 HA LYS 104 -3.097 -8.365 5.079 790 1HB LYS 104 HB2 LYS 104 -1.311 -7.260 2.929 791 2HB LYS 104 HB1 LYS 104 -1.562 -6.400 4.447 792 1HG LYS 104 HG2 LYS 104 0.471 -7.942 4.251 793 2HG LYS 104 HG1 LYS 104 -0.522 -8.061 5.706 794 1HD LYS 104 HD2 LYS 104 -1.753 -9.948 4.578 795 2HD LYS 104 HD1 LYS 104 -0.520 -9.892 3.322 796 1HE LYS 104 HE2 LYS 104 0.858 -9.940 5.778 797 2HE LYS 104 HE1 LYS 104 -0.423 -11.148 5.901 798 1HZ LYS 104 HZ1 LYS 104 0.376 -12.059 3.754 799 2HZ LYS 104 HZ2 LYS 104 1.511 -12.182 5.003 800 3HZ LYS 104 HZ3 LYS 104 1.684 -10.988 3.817 801 H SER 105 HN SER 105 -3.338 -6.581 1.992 802 HA SER 105 HA SER 105 -4.956 -4.528 3.161 803 1HB SER 105 HB2 SER 105 -4.570 -3.451 1.194 804 2HB SER 105 HB1 SER 105 -3.516 -4.806 0.770 805 HG SER 105 HG SER 105 -5.122 -4.405 -0.813 806 H ASN 106 HN ASN 106 -5.453 -7.243 1.061 807 HA ASN 106 HA ASN 106 -7.126 -8.653 0.717 808 1HB ASN 106 HB2 ASN 106 -8.584 -7.103 2.873 809 2HB ASN 106 HB1 ASN 106 -9.199 -8.568 2.115 810 1HD2 ASN 106 HD21 ASN 106 -6.185 -7.443 3.578 811 2HD2 ASN 106 HD22 ASN 106 -5.937 -8.838 4.555 812 H LEU 107 HN LEU 107 -8.128 -5.354 1.236 813 HA LEU 107 HA LEU 107 -10.168 -5.307 -0.775 814 1HB LEU 107 HB2 LEU 107 -10.712 -3.308 0.101 815 2HB LEU 107 HB1 LEU 107 -9.592 -3.720 1.379 816 HG LEU 107 HG LEU 107 -8.386 -2.388 -0.946 817 1HD1 LEU 107 HD11 LEU 107 -10.802 -1.378 -0.013 818 2HD1 LEU 107 HD12 LEU 107 -9.599 -0.535 -0.991 819 3HD1 LEU 107 HD13 LEU 107 -9.559 -0.399 0.767 820 1HD2 LEU 107 HD21 LEU 107 -6.849 -1.800 0.567 821 2HD2 LEU 107 HD22 LEU 107 -7.637 -2.981 1.615 822 3HD2 LEU 107 HD23 LEU 107 -8.068 -1.276 1.730 823 H LYS 108 HN LYS 108 -9.854 -3.489 -2.549 824 HA LYS 108 HA LYS 108 -8.124 -4.432 -4.393 825 1HB LYS 108 HB2 LYS 108 -9.285 -2.798 -5.440 826 2HB LYS 108 HB1 LYS 108 -9.384 -1.811 -3.989 827 1HG LYS 108 HG2 LYS 108 -7.691 -0.513 -4.677 828 2HG LYS 108 HG1 LYS 108 -6.678 -1.918 -4.953 829 1HD LYS 108 HD2 LYS 108 -7.983 -2.279 -7.081 830 2HD LYS 108 HD1 LYS 108 -8.565 -0.625 -6.873 831 1HE LYS 108 HE2 LYS 108 -6.172 0.100 -6.737 832 2HE LYS 108 HE1 LYS 108 -5.709 -1.549 -7.159 833 1HZ LYS 108 HZ1 LYS 108 -7.291 -1.134 -9.159 834 2HZ LYS 108 HZ2 LYS 108 -5.713 -0.525 -9.195 835 3HZ LYS 108 HZ3 LYS 108 -7.004 0.501 -8.820 836 H ASN 109 HN ASN 109 -6.053 -4.367 -4.840 837 HA ASN 109 HA ASN 109 -4.149 -3.936 -2.905 838 1HB ASN 109 HB2 ASN 109 -3.669 -3.639 -5.871 839 2HB ASN 109 HB1 ASN 109 -2.555 -4.222 -4.640 840 1HD2 ASN 109 HD21 ASN 109 -4.707 -5.680 -3.306 841 2HD2 ASN 109 HD22 ASN 109 -4.925 -7.103 -4.239 842 HA PRO 110 HA PRO 110 -4.678 0.544 -2.615 843 1HB PRO 110 HB2 PRO 110 -2.305 0.101 -0.869 844 2HB PRO 110 HB1 PRO 110 -3.766 1.042 -0.555 845 1HG PRO 110 HG2 PRO 110 -3.398 -1.367 0.555 846 2HG PRO 110 HG1 PRO 110 -5.002 -0.837 0.017 847 1HD PRO 110 HD2 PRO 110 -3.136 -2.794 -1.216 848 2HD PRO 110 HD1 PRO 110 -4.910 -2.760 -1.227 849 H GLN 111 HN GLN 111 -3.438 2.341 -3.196 850 HA GLN 111 HA GLN 111 -1.125 1.652 -4.893 851 1HB GLN 111 HB2 GLN 111 -2.126 4.386 -5.152 852 2HB GLN 111 HB1 GLN 111 -1.845 3.178 -6.397 853 1HG GLN 111 HG2 GLN 111 -4.244 2.892 -4.662 854 2HG GLN 111 HG1 GLN 111 -4.248 4.131 -5.913 855 1HE2 GLN 111 HE21 GLN 111 -2.882 0.862 -5.830 856 2HE2 GLN 111 HE22 GLN 111 -3.746 0.280 -7.209 857 H VAL 112 HN VAL 112 0.859 2.328 -4.298 858 HA VAL 112 HA VAL 112 1.059 3.755 -1.805 859 HB VAL 112 HB VAL 112 3.468 2.954 -3.338 860 1HG1 VAL 112 HG11 VAL 112 4.446 2.809 -1.243 861 2HG1 VAL 112 HG12 VAL 112 2.904 2.560 -0.427 862 3HG1 VAL 112 HG13 VAL 112 3.327 4.156 -1.047 863 1HG2 VAL 112 HG21 VAL 112 1.570 1.138 -3.289 864 2HG2 VAL 112 HG22 VAL 112 2.094 0.949 -1.615 865 3HG2 VAL 112 HG23 VAL 112 3.242 0.705 -2.932 866 H TYR 113 HN TYR 113 2.105 5.697 -1.422 867 HA TYR 113 HA TYR 113 2.914 7.301 -3.751 868 1HB TYR 113 HB2 TYR 113 1.263 8.462 -1.514 869 2HB TYR 113 HB1 TYR 113 1.589 9.149 -3.102 870 HD1 TYR 113 HD1 TYR 113 -0.617 7.074 -1.147 871 HD2 TYR 113 HD2 TYR 113 0.501 8.085 -5.126 872 HE1 TYR 113 HE1 TYR 113 -2.738 6.145 -1.978 873 HE2 TYR 113 HE2 TYR 113 -1.626 7.171 -5.973 874 HH TYR 113 HH TYR 113 -4.050 5.839 -3.742 875 H ARG 114 HN ARG 114 5.001 8.011 -3.397 876 HA ARG 114 HA ARG 114 5.762 8.547 -0.604 877 1HB ARG 114 HB2 ARG 114 7.843 8.229 -2.699 878 2HB ARG 114 HB1 ARG 114 7.930 7.860 -0.989 879 1HG ARG 114 HG2 ARG 114 7.211 5.752 -1.276 880 2HG ARG 114 HG1 ARG 114 6.107 6.186 -2.579 881 1HD ARG 114 HD2 ARG 114 7.580 5.396 -4.041 882 2HD ARG 114 HD1 ARG 114 8.716 6.639 -3.531 883 HE ARG 114 HE ARG 114 8.863 3.864 -2.952 884 1HH1 ARG 114 HH11 ARG 114 9.558 7.011 -1.619 885 2HH1 ARG 114 HH12 ARG 114 10.816 6.432 -0.579 886 1HH2 ARG 114 HH21 ARG 114 10.511 3.098 -1.582 887 2HH2 ARG 114 HH22 ARG 114 11.358 4.209 -0.558 888 H LEU 115 HN LEU 115 6.200 10.564 -0.126 889 HA LEU 115 HA LEU 115 7.119 12.354 -2.282 890 1HB LEU 115 HB2 LEU 115 5.197 13.256 -0.152 891 2HB LEU 115 HB1 LEU 115 5.685 14.111 -1.600 892 HG LEU 115 HG LEU 115 4.533 11.901 -2.678 893 1HD1 LEU 115 HD11 LEU 115 2.464 11.462 -1.496 894 2HD1 LEU 115 HD12 LEU 115 2.925 12.587 -0.218 895 3HD1 LEU 115 HD13 LEU 115 3.839 11.097 -0.455 896 1HD2 LEU 115 HD21 LEU 115 2.454 13.744 -2.309 897 2HD2 LEU 115 HD22 LEU 115 3.554 13.619 -3.681 898 3HD2 LEU 115 HD23 LEU 115 3.944 14.685 -2.332 899 H GLY 116 HN GLY 116 9.171 12.846 -1.668 900 1HA GLY 116 HA2 GLY 116 9.839 14.529 0.213 901 2HA GLY 116 HA1 GLY 116 9.723 13.049 1.128 902 H GLU 117 HN GLU 117 11.983 14.961 0.357 903 HA GLU 117 HA GLU 117 13.788 12.766 -0.299 904 1HB GLU 117 HB2 GLU 117 15.275 14.339 -1.462 905 2HB GLU 117 HB1 GLU 117 13.688 14.232 -2.191 906 1HG GLU 117 HG2 GLU 117 13.217 16.385 -1.840 907 2HG GLU 117 HG1 GLU 117 13.944 16.377 -0.234 908 H VAL 118 HN VAL 118 14.154 12.388 1.704 909 HA VAL 118 HA VAL 118 16.176 12.750 3.275 910 HB VAL 118 HB VAL 118 14.683 15.304 3.714 911 1HG1 VAL 118 HG11 VAL 118 15.587 13.633 5.822 912 2HG1 VAL 118 HG12 VAL 118 14.923 15.264 5.919 913 3HG1 VAL 118 HG13 VAL 118 16.659 15.029 5.724 914 1HG2 VAL 118 HG21 VAL 118 17.505 15.452 4.058 915 2HG2 VAL 118 HG22 VAL 118 16.510 16.173 2.793 916 3HG2 VAL 118 HG23 VAL 118 17.161 14.548 2.584 917 H GLU 119 HN GLU 119 12.680 13.385 4.127 918 HA GLU 119 HA GLU 119 12.507 10.855 5.532 919 1HB GLU 119 HB2 GLU 119 11.773 13.271 7.128 920 2HB GLU 119 HB1 GLU 119 11.949 11.615 7.605 921 1HG GLU 119 HG2 GLU 119 14.337 11.715 7.260 922 2HG GLU 119 HG1 GLU 119 14.147 13.407 6.835 923 H LEU 120 HN LEU 120 11.004 10.819 3.535 924 HA LEU 120 HA LEU 120 8.654 12.388 3.538 925 1HB LEU 120 HB2 LEU 120 8.062 11.308 1.564 926 2HB LEU 120 HB1 LEU 120 9.789 11.445 1.504 927 HG LEU 120 HG LEU 120 9.437 8.956 2.636 928 1HD1 LEU 120 HD11 LEU 120 7.654 7.869 1.767 929 2HD1 LEU 120 HD12 LEU 120 7.625 8.853 0.305 930 3HD1 LEU 120 HD13 LEU 120 6.958 9.488 1.807 931 1HD2 LEU 120 HD21 LEU 120 10.953 8.662 1.037 932 2HD2 LEU 120 HD22 LEU 120 10.398 10.095 0.171 933 3HD2 LEU 120 HD23 LEU 120 9.629 8.534 -0.122 934 H ASP 121 HN ASP 121 6.675 11.337 2.964 935 HA ASP 121 HA ASP 121 5.984 9.221 4.908 936 1HB ASP 121 HB2 ASP 121 4.993 11.838 4.846 937 2HB ASP 121 HB1 ASP 121 3.723 10.876 4.095 938 H VAL 122 HN VAL 122 4.942 7.472 4.052 939 HA VAL 122 HA VAL 122 4.275 7.579 1.186 940 HB VAL 122 HB VAL 122 5.570 5.517 2.862 941 1HG1 VAL 122 HG11 VAL 122 3.980 4.587 0.500 942 2HG1 VAL 122 HG12 VAL 122 3.313 4.552 2.131 943 3HG1 VAL 122 HG13 VAL 122 4.765 3.627 1.752 944 1HG2 VAL 122 HG21 VAL 122 6.099 5.177 0.138 945 2HG2 VAL 122 HG22 VAL 122 7.132 5.922 1.358 946 3HG2 VAL 122 HG23 VAL 122 6.020 6.917 0.415 947 H TYR 123 HN TYR 123 2.253 7.209 0.547 948 HA TYR 123 HA TYR 123 0.348 6.157 2.537 949 1HB TYR 123 HB2 TYR 123 -0.043 8.167 0.323 950 2HB TYR 123 HB1 TYR 123 -1.388 7.364 1.134 951 HD1 TYR 123 HD1 TYR 123 -1.776 10.039 1.399 952 HD2 TYR 123 HD2 TYR 123 1.116 7.747 3.516 953 HE1 TYR 123 HE1 TYR 123 -1.719 11.751 3.161 954 HE2 TYR 123 HE2 TYR 123 1.180 9.454 5.283 955 HH TYR 123 HH TYR 123 0.540 12.222 5.197 956 H VAL 124 HN VAL 124 -1.093 4.603 1.935 957 HA VAL 124 HA VAL 124 -1.038 3.644 -0.830 958 HB VAL 124 HB VAL 124 -1.157 1.500 1.204 959 1HG1 VAL 124 HG11 VAL 124 -0.887 1.672 -1.531 960 2HG1 VAL 124 HG12 VAL 124 -0.626 0.230 -0.549 961 3HG1 VAL 124 HG13 VAL 124 0.738 1.258 -0.985 962 1HG2 VAL 124 HG21 VAL 124 1.483 2.811 0.559 963 2HG2 VAL 124 HG22 VAL 124 1.230 1.375 1.550 964 3HG2 VAL 124 HG23 VAL 124 0.642 2.943 2.103 965 H ILE 125 HN ILE 125 -3.148 3.656 -1.506 966 HA ILE 125 HA ILE 125 -5.169 2.675 0.398 967 HB ILE 125 HB ILE 125 -5.729 5.155 -1.221 968 1HG1 ILE 125 HG12 ILE 125 -5.502 5.949 1.429 969 2HG1 ILE 125 HG11 ILE 125 -4.109 4.900 1.191 970 1HG2 ILE 125 HG21 ILE 125 -7.486 3.552 -0.159 971 2HG2 ILE 125 HG22 ILE 125 -7.677 5.296 0.011 972 3HG2 ILE 125 HG23 ILE 125 -7.027 4.346 1.347 973 1HD1 ILE 125 HD11 ILE 125 -3.743 7.344 0.754 974 2HD1 ILE 125 HD12 ILE 125 -4.779 7.163 -0.662 975 3HD1 ILE 125 HD13 ILE 125 -3.272 6.253 -0.548 976 H GLY 126 HN GLY 126 -6.504 1.324 -0.472 977 1HA GLY 126 HA2 GLY 126 -6.604 1.014 -3.375 978 2HA GLY 126 HA1 GLY 126 -7.086 -0.184 -2.175 979 H GLU 127 HN GLU 127 -9.053 -0.348 -3.435 980 HA GLU 127 HA GLU 127 -11.015 1.456 -2.348 981 1HB GLU 127 HB2 GLU 127 -11.966 2.186 -4.399 982 2HB GLU 127 HB1 GLU 127 -10.238 2.497 -4.499 983 1HG GLU 127 HG2 GLU 127 -10.025 1.203 -6.293 984 2HG GLU 127 HG1 GLU 127 -10.919 -0.107 -5.520 985 H THR 128 HN THR 128 -11.895 -0.208 -1.285 986 HA THR 128 HA THR 128 -13.918 -1.584 -2.679 987 HB THR 128 HB THR 128 -12.071 -3.498 -1.310 988 HG1 THR 128 HG1 THR 128 -10.826 -2.512 -2.962 989 1HG2 THR 128 HG21 THR 128 -14.501 -3.979 -2.036 990 2HG2 THR 128 HG22 THR 128 -13.253 -5.153 -2.451 991 3HG2 THR 128 HG23 THR 128 -13.843 -4.023 -3.671 992 HA PRO 129 HA PRO 129 -14.320 -1.430 2.062 993 1HB PRO 129 HB2 PRO 129 -14.724 1.438 2.225 994 2HB PRO 129 HB1 PRO 129 -13.481 0.475 3.007 995 1HG PRO 129 HG2 PRO 129 -12.899 2.295 1.095 996 2HG PRO 129 HG1 PRO 129 -11.946 0.813 1.328 997 1HD PRO 129 HD2 PRO 129 -14.148 1.337 -0.646 998 2HD PRO 129 HD1 PRO 129 -12.541 0.643 -0.915 999 H ALA 130 HN ALA 130 -15.528 1.047 -0.001 1000 HA ALA 130 HA ALA 130 -18.281 0.109 0.145 1001 1HB ALA 130 HB1 ALA 130 -18.661 2.709 -0.412 1002 2HB ALA 130 HB2 ALA 130 -17.209 2.854 0.578 1003 3HB ALA 130 HB3 ALA 130 -18.656 2.095 1.241 1004 H GLY 131 HN GLY 131 -15.434 0.933 -1.388 1005 1HA GLY 131 HA2 GLY 131 -15.369 -0.025 -3.736 1006 2HA GLY 131 HA1 GLY 131 -16.614 1.177 -4.058 1007 H ASN 132 HN ASN 132 -14.317 2.149 -1.704 1008 HA ASN 132 HA ASN 132 -12.075 3.052 -2.922 1009 1HB ASN 132 HB2 ASN 132 -12.972 4.154 -4.711 1010 2HB ASN 132 HB1 ASN 132 -14.388 4.681 -3.830 1011 1HD2 ASN 132 HD21 ASN 132 -11.073 4.934 -2.822 1012 2HD2 ASN 132 HD22 ASN 132 -10.991 6.647 -2.838 1013 H LEU 133 HN LEU 133 -11.269 3.136 -0.869 1014 HA LEU 133 HA LEU 133 -10.801 5.358 0.401 1015 1HB LEU 133 HB2 LEU 133 -12.404 5.823 2.156 1016 2HB LEU 133 HB1 LEU 133 -13.133 5.941 0.564 1017 HG LEU 133 HG LEU 133 -13.702 3.341 1.336 1018 1HD1 LEU 133 HD11 LEU 133 -13.859 3.167 3.541 1019 2HD1 LEU 133 HD12 LEU 133 -14.833 4.635 3.627 1020 3HD1 LEU 133 HD13 LEU 133 -13.073 4.739 3.685 1021 1HD2 LEU 133 HD21 LEU 133 -15.247 5.907 1.331 1022 2HD2 LEU 133 HD22 LEU 133 -16.007 4.379 1.777 1023 3HD2 LEU 133 HD23 LEU 133 -15.298 4.577 0.173 1024 H ALA 134 HN ALA 134 -9.450 2.956 0.375 1025 HA ALA 134 HA ALA 134 -8.817 2.729 3.134 1026 1HB ALA 134 HB1 ALA 134 -10.214 0.313 2.020 1027 2HB ALA 134 HB2 ALA 134 -10.937 1.473 3.134 1028 3HB ALA 134 HB3 ALA 134 -9.552 0.509 3.643 1029 H GLY 135 HN GLY 135 -6.807 2.047 3.411 1030 1HA GLY 135 HA2 GLY 135 -5.584 -0.019 1.848 1031 2HA GLY 135 HA1 GLY 135 -5.000 1.570 1.385 1032 H ILE 136 HN ILE 136 -2.880 1.192 2.157 1033 HA ILE 136 HA ILE 136 -2.638 1.223 5.102 1034 HB ILE 136 HB ILE 136 -0.262 0.124 4.092 1035 1HG1 ILE 136 HG12 ILE 136 -2.398 -1.752 3.229 1036 2HG1 ILE 136 HG11 ILE 136 -2.040 -0.405 2.154 1037 1HG2 ILE 136 HG21 ILE 136 -1.279 -0.272 6.285 1038 2HG2 ILE 136 HG22 ILE 136 -0.845 -1.776 5.471 1039 3HG2 ILE 136 HG23 ILE 136 -2.528 -1.251 5.516 1040 1HD1 ILE 136 HD11 ILE 136 0.086 -2.246 3.195 1041 2HD1 ILE 136 HD12 ILE 136 0.178 -1.113 1.845 1042 3HD1 ILE 136 HD13 ILE 136 -0.817 -2.564 1.715 1043 H SER 137 HN SER 137 -0.033 1.736 5.491 1044 HA SER 137 HA SER 137 1.154 3.505 3.614 1045 1HB SER 137 HB2 SER 137 0.927 5.605 5.078 1046 2HB SER 137 HB1 SER 137 -0.438 5.152 4.064 1047 HG SER 137 HG SER 137 -1.491 5.291 5.883 1048 H THR 138 HN THR 138 3.240 3.913 4.048 1049 HA THR 138 HA THR 138 4.174 3.442 6.806 1050 HB THR 138 HB THR 138 4.641 1.653 4.689 1051 HG1 THR 138 HG1 THR 138 6.202 0.854 6.416 1052 1HG2 THR 138 HG21 THR 138 7.161 3.161 5.407 1053 2HG2 THR 138 HG22 THR 138 6.402 3.093 3.816 1054 3HG2 THR 138 HG23 THR 138 7.100 1.636 4.524 1055 H LYS 139 HN LYS 139 6.442 4.285 7.145 1056 HA LYS 139 HA LYS 139 6.767 6.762 5.569 1057 1HB LYS 139 HB2 LYS 139 6.471 6.597 8.244 1058 2HB LYS 139 HB1 LYS 139 8.221 6.463 8.126 1059 1HG LYS 139 HG2 LYS 139 7.624 8.565 6.446 1060 2HG LYS 139 HG1 LYS 139 6.519 8.780 7.804 1061 1HD LYS 139 HD2 LYS 139 8.174 9.295 9.217 1062 2HD LYS 139 HD1 LYS 139 9.243 8.049 8.570 1063 1HE LYS 139 HE2 LYS 139 10.008 9.443 6.860 1064 2HE LYS 139 HE1 LYS 139 8.693 10.595 7.085 1065 1HZ LYS 139 HZ1 LYS 139 11.235 10.573 8.294 1066 2HZ LYS 139 HZ2 LYS 139 10.061 10.419 9.500 1067 3HZ LYS 139 HZ3 LYS 139 10.009 11.732 8.436 1068 H VAL 140 HN VAL 140 8.970 7.544 5.401 1069 HA VAL 140 HA VAL 140 11.116 5.587 5.309 1070 HB VAL 140 HB VAL 140 11.072 7.168 2.893 1071 1HG1 VAL 140 HG11 VAL 140 12.427 5.457 2.464 1072 2HG1 VAL 140 HG12 VAL 140 10.979 4.491 2.175 1073 3HG1 VAL 140 HG13 VAL 140 11.738 4.490 3.768 1074 1HG2 VAL 140 HG21 VAL 140 9.205 6.416 1.737 1075 2HG2 VAL 140 HG22 VAL 140 8.555 6.727 3.347 1076 3HG2 VAL 140 HG23 VAL 140 8.926 5.076 2.850 1077 H VAL 141 HN VAL 141 12.990 6.746 5.915 1078 HA VAL 141 HA VAL 141 12.530 9.553 6.231 1079 HB VAL 141 HB VAL 141 14.565 7.650 7.163 1080 1HG1 VAL 141 HG11 VAL 141 15.810 10.102 7.682 1081 2HG1 VAL 141 HG12 VAL 141 15.525 10.052 5.946 1082 3HG1 VAL 141 HG13 VAL 141 16.424 8.755 6.725 1083 1HG2 VAL 141 HG21 VAL 141 12.778 9.677 8.181 1084 2HG2 VAL 141 HG22 VAL 141 14.378 9.766 8.918 1085 3HG2 VAL 141 HG23 VAL 141 13.463 8.260 8.976 1086 H GLU 142 HN GLU 142 12.118 10.084 4.143 1087 HA GLU 142 HA GLU 142 14.306 11.123 2.692 1088 1HB GLU 142 HB2 GLU 142 12.932 8.746 1.738 1089 2HB GLU 142 HB1 GLU 142 12.851 10.067 0.578 1090 1HG GLU 142 HG2 GLU 142 15.461 9.376 1.835 1091 2HG GLU 142 HG1 GLU 142 14.827 8.384 0.529 1092 H THR 143 HN THR 143 13.291 13.241 3.159 1093 HA THR 143 HA THR 143 11.223 14.105 1.470 1094 HB THR 143 HB THR 143 10.104 13.264 3.695 1095 HG1 THR 143 HG1 THR 143 8.513 14.998 3.295 1096 1HG2 THR 143 HG21 THR 143 10.346 16.140 4.427 1097 2HG2 THR 143 HG22 THR 143 11.626 15.034 4.924 1098 3HG2 THR 143 HG23 THR 143 9.964 14.752 5.445 Start of MODEL 7 1 1H MET 1 HT1 MET 1 -31.776 -2.371 11.388 2 2H MET 1 HT2 MET 1 -32.626 -2.492 9.930 3 3H MET 1 HT3 MET 1 -30.971 -2.142 9.918 4 HA MET 1 HA MET 1 -30.759 -4.384 11.166 5 1HB MET 1 HB2 MET 1 -33.503 -4.236 10.776 6 2HB MET 1 HB1 MET 1 -32.971 -5.350 9.524 7 1HG MET 1 HG2 MET 1 -33.195 -6.890 11.124 8 2HG MET 1 HG1 MET 1 -31.618 -6.311 11.656 9 1HE MET 1 HE1 MET 1 -34.380 -7.678 13.514 10 2HE MET 1 HE2 MET 1 -33.602 -7.029 14.958 11 3HE MET 1 HE3 MET 1 -32.625 -7.754 13.681 12 H HIS 2 HN HIS 2 -32.464 -4.471 8.059 13 HA HIS 2 HA HIS 2 -30.255 -5.771 6.789 14 1HB HIS 2 HB2 HIS 2 -31.665 -5.655 4.751 15 2HB HIS 2 HB1 HIS 2 -32.521 -6.340 6.129 16 HD1 HIS 2 HD1 HIS 2 -32.200 -2.994 4.349 17 HD2 HIS 2 HD2 HIS 2 -34.921 -5.174 6.610 18 HE1 HIS 2 HE1 HIS 2 -34.320 -1.642 4.338 19 HE2 HIS 2 HE2 HIS 2 -35.934 -2.949 5.765 20 H HIS 3 HN HIS 3 -29.132 -5.000 4.903 21 HA HIS 3 HA HIS 3 -28.550 -2.143 5.090 22 1HB HIS 3 HB2 HIS 3 -26.862 -4.243 4.962 23 2HB HIS 3 HB1 HIS 3 -26.993 -3.864 3.247 24 HD1 HIS 3 HD1 HIS 3 -26.133 -1.495 2.498 25 HD2 HIS 3 HD2 HIS 3 -25.357 -2.474 6.461 26 HE1 HIS 3 HE1 HIS 3 -24.409 0.163 3.275 27 HE2 HIS 3 HE2 HIS 3 -24.041 -0.379 5.708 28 H HIS 4 HN HIS 4 -30.923 -3.430 3.698 29 HA HIS 4 HA HIS 4 -32.167 -3.130 1.817 30 1HB HIS 4 HB2 HIS 4 -30.894 -0.678 2.392 31 2HB HIS 4 HB1 HIS 4 -30.789 -0.888 0.647 32 HD1 HIS 4 HD1 HIS 4 -32.886 0.626 3.012 33 HD2 HIS 4 HD2 HIS 4 -33.591 -1.761 -0.316 34 HE1 HIS 4 HE1 HIS 4 -35.273 1.073 2.356 35 HE2 HIS 4 HE2 HIS 4 -35.654 -0.327 0.297 36 H HIS 5 HN HIS 5 -31.372 -2.012 -0.707 37 HA HIS 5 HA HIS 5 -30.029 -4.334 -1.795 38 1HB HIS 5 HB2 HIS 5 -31.854 -2.329 -2.767 39 2HB HIS 5 HB1 HIS 5 -30.462 -2.439 -3.838 40 HD1 HIS 5 HD1 HIS 5 -29.935 -5.440 -3.802 41 HD2 HIS 5 HD2 HIS 5 -33.732 -3.775 -4.086 42 HE1 HIS 5 HE1 HIS 5 -31.367 -7.209 -4.870 43 HE2 HIS 5 HE2 HIS 5 -33.682 -6.218 -4.936 44 H HIS 6 HN HIS 6 -28.154 -3.341 -0.325 45 HA HIS 6 HA HIS 6 -26.223 -2.286 -2.217 46 1HB HIS 6 HB2 HIS 6 -27.520 -0.516 -0.506 47 2HB HIS 6 HB1 HIS 6 -25.992 -0.843 0.303 48 HD1 HIS 6 HD1 HIS 6 -27.424 1.371 -2.084 49 HD2 HIS 6 HD2 HIS 6 -23.724 -0.473 -1.666 50 HE1 HIS 6 HE1 HIS 6 -25.840 2.713 -3.504 51 HE2 HIS 6 HE2 HIS 6 -23.590 1.630 -3.166 52 H HIS 7 HN HIS 7 -26.903 -4.641 -0.331 53 HA HIS 7 HA HIS 7 -24.674 -4.743 1.483 54 1HB HIS 7 HB2 HIS 7 -26.879 -5.868 1.894 55 2HB HIS 7 HB1 HIS 7 -26.483 -7.001 0.605 56 HD1 HIS 7 HD1 HIS 7 -24.186 -5.789 3.371 57 HD2 HIS 7 HD2 HIS 7 -26.013 -9.272 2.029 58 HE1 HIS 7 HE1 HIS 7 -23.251 -7.634 4.802 59 HE2 HIS 7 HE2 HIS 7 -24.455 -9.714 4.045 60 H GLY 8 HN GLY 8 -22.730 -5.716 1.215 61 1HA GLY 8 HA2 GLY 8 -21.691 -7.698 -0.050 62 2HA GLY 8 HA1 GLY 8 -22.167 -6.781 -1.471 63 H SER 9 HN SER 9 -21.487 -4.215 -0.780 64 HA SER 9 HA SER 9 -18.658 -4.287 -1.146 65 1HB SER 9 HB2 SER 9 -20.306 -1.837 -0.517 66 2HB SER 9 HB1 SER 9 -18.785 -1.920 -1.404 67 HG SER 9 HG SER 9 -19.902 -3.068 -3.042 68 H THR 10 HN THR 10 -17.987 -5.372 0.786 69 HA THR 10 HA THR 10 -17.790 -3.545 3.084 70 HB THR 10 HB THR 10 -17.545 -6.110 4.152 71 HG1 THR 10 HG1 THR 10 -19.974 -6.058 2.710 72 1HG2 THR 10 HG21 THR 10 -18.685 -4.855 5.615 73 2HG2 THR 10 HG22 THR 10 -20.131 -5.311 4.713 74 3HG2 THR 10 HG23 THR 10 -19.302 -3.798 4.343 75 H LYS 11 HN LYS 11 -15.781 -3.027 3.537 76 HA LYS 11 HA LYS 11 -13.629 -4.598 4.026 77 1HB LYS 11 HB2 LYS 11 -13.811 -5.364 1.644 78 2HB LYS 11 HB1 LYS 11 -13.490 -3.714 1.137 79 1HG LYS 11 HG2 LYS 11 -11.526 -5.216 1.048 80 2HG LYS 11 HG1 LYS 11 -11.301 -3.777 2.050 81 1HD LYS 11 HD2 LYS 11 -10.506 -5.298 3.527 82 2HD LYS 11 HD1 LYS 11 -12.221 -5.488 3.898 83 1HE LYS 11 HE2 LYS 11 -10.716 -7.162 1.908 84 2HE LYS 11 HE1 LYS 11 -11.010 -7.626 3.583 85 1HZ LYS 11 HZ1 LYS 11 -12.666 -8.066 1.426 86 2HZ LYS 11 HZ2 LYS 11 -13.424 -6.845 2.318 87 3HZ LYS 11 HZ3 LYS 11 -13.035 -8.314 3.059 88 H THR 12 HN THR 12 -14.832 -2.225 4.778 89 HA THR 12 HA THR 12 -13.422 0.093 3.952 90 HB THR 12 HB THR 12 -14.180 0.566 6.591 91 HG1 THR 12 HG1 THR 12 -15.785 -0.741 7.031 92 1HG2 THR 12 HG21 THR 12 -15.496 1.084 3.937 93 2HG2 THR 12 HG22 THR 12 -14.635 2.208 4.988 94 3HG2 THR 12 HG23 THR 12 -16.237 1.626 5.442 95 H ASN 13 HN ASN 13 -12.512 1.370 6.094 96 HA ASN 13 HA ASN 13 -9.962 0.248 6.578 97 1HB ASN 13 HB2 ASN 13 -10.270 2.640 6.837 98 2HB ASN 13 HB1 ASN 13 -11.580 2.402 7.983 99 1HD2 ASN 13 HD21 ASN 13 -8.702 0.461 8.218 100 2HD2 ASN 13 HD22 ASN 13 -8.076 1.241 9.626 101 H SER 14 HN SER 14 -13.080 -0.360 7.736 102 HA SER 14 HA SER 14 -12.713 -1.249 10.347 103 1HB SER 14 HB2 SER 14 -14.934 -1.111 9.348 104 2HB SER 14 HB1 SER 14 -14.501 -2.315 8.129 105 HG SER 14 HG SER 14 -15.738 -3.041 10.056 106 H GLU 15 HN GLU 15 -12.682 -3.119 7.343 107 HA GLU 15 HA GLU 15 -11.334 -5.353 8.580 108 1HB GLU 15 HB2 GLU 15 -11.936 -4.823 5.672 109 2HB GLU 15 HB1 GLU 15 -11.468 -6.365 6.368 110 1HG GLU 15 HG2 GLU 15 -13.604 -6.057 7.815 111 2HG GLU 15 HG1 GLU 15 -14.067 -4.912 6.556 112 H ILE 16 HN ILE 16 -10.650 -2.723 6.374 113 HA ILE 16 HA ILE 16 -8.099 -3.458 5.573 114 HB ILE 16 HB ILE 16 -9.455 -0.779 5.705 115 1HG1 ILE 16 HG12 ILE 16 -10.332 -1.696 3.812 116 2HG1 ILE 16 HG11 ILE 16 -8.787 -1.284 3.107 117 1HG2 ILE 16 HG21 ILE 16 -7.624 0.373 5.118 118 2HG2 ILE 16 HG22 ILE 16 -6.992 -0.938 4.124 119 3HG2 ILE 16 HG23 ILE 16 -6.754 -0.963 5.870 120 1HD1 ILE 16 HD11 ILE 16 -9.529 -3.569 2.595 121 2HD1 ILE 16 HD12 ILE 16 -9.448 -3.953 4.313 122 3HD1 ILE 16 HD13 ILE 16 -7.981 -3.516 3.436 123 H LEU 17 HN LEU 17 -9.199 -2.123 8.542 124 HA LEU 17 HA LEU 17 -6.534 -1.379 9.420 125 1HB LEU 17 HB2 LEU 17 -7.520 -0.464 11.310 126 2HB LEU 17 HB1 LEU 17 -8.784 -0.255 10.110 127 HG LEU 17 HG LEU 17 -9.682 -2.515 11.060 128 1HD1 LEU 17 HD11 LEU 17 -9.069 -3.148 13.172 129 2HD1 LEU 17 HD12 LEU 17 -8.532 -1.529 13.620 130 3HD1 LEU 17 HD13 LEU 17 -7.522 -2.538 12.584 131 1HD2 LEU 17 HD21 LEU 17 -9.901 0.187 12.350 132 2HD2 LEU 17 HD22 LEU 17 -10.908 -1.181 12.823 133 3HD2 LEU 17 HD23 LEU 17 -10.986 -0.558 11.175 134 H GLU 18 HN GLU 18 -8.819 -3.961 9.612 135 HA GLU 18 HA GLU 18 -7.699 -5.426 11.727 136 1HB GLU 18 HB2 GLU 18 -9.656 -6.423 11.375 137 2HB GLU 18 HB1 GLU 18 -9.802 -5.674 9.794 138 1HG GLU 18 HG2 GLU 18 -8.616 -7.496 8.762 139 2HG GLU 18 HG1 GLU 18 -8.292 -8.223 10.339 140 H GLN 19 HN GLN 19 -7.448 -6.128 8.225 141 HA GLN 19 HA GLN 19 -5.526 -8.144 8.571 142 1HB GLN 19 HB2 GLN 19 -5.262 -7.659 5.989 143 2HB GLN 19 HB1 GLN 19 -6.654 -8.492 6.650 144 1HG GLN 19 HG2 GLN 19 -7.063 -6.667 4.917 145 2HG GLN 19 HG1 GLN 19 -8.061 -6.670 6.365 146 1HE2 GLN 19 HE21 GLN 19 -6.636 -4.613 4.326 147 2HE2 GLN 19 HE22 GLN 19 -6.213 -3.331 5.399 148 H LEU 20 HN LEU 20 -4.974 -4.728 7.431 149 HA LEU 20 HA LEU 20 -2.189 -5.342 7.029 150 1HB LEU 20 HB2 LEU 20 -3.831 -2.864 6.742 151 2HB LEU 20 HB1 LEU 20 -2.090 -2.838 6.543 152 HG LEU 20 HG LEU 20 -3.668 -4.800 4.967 153 1HD1 LEU 20 HD11 LEU 20 -4.815 -3.285 3.824 154 2HD1 LEU 20 HD12 LEU 20 -3.350 -2.358 3.511 155 3HD1 LEU 20 HD13 LEU 20 -4.284 -2.060 4.977 156 1HD2 LEU 20 HD21 LEU 20 -1.141 -3.219 4.584 157 2HD2 LEU 20 HD22 LEU 20 -1.907 -4.125 3.280 158 3HD2 LEU 20 HD23 LEU 20 -1.328 -4.967 4.717 159 H LYS 21 HN LYS 21 -4.005 -3.984 9.666 160 HA LYS 21 HA LYS 21 -1.598 -2.773 10.766 161 1HB LYS 21 HB2 LYS 21 -4.477 -2.814 11.604 162 2HB LYS 21 HB1 LYS 21 -3.223 -2.288 12.712 163 1HG LYS 21 HG2 LYS 21 -3.051 -1.037 10.070 164 2HG LYS 21 HG1 LYS 21 -4.553 -0.691 10.940 165 1HD LYS 21 HD2 LYS 21 -3.006 1.010 11.536 166 2HD LYS 21 HD1 LYS 21 -3.146 -0.067 12.927 167 1HE LYS 21 HE2 LYS 21 -1.085 -1.225 12.167 168 2HE LYS 21 HE1 LYS 21 -0.925 -0.023 10.886 169 1HZ LYS 21 HZ1 LYS 21 0.445 0.651 12.680 170 2HZ LYS 21 HZ2 LYS 21 -0.792 0.436 13.813 171 3HZ LYS 21 HZ3 LYS 21 -0.893 1.689 12.681 172 H GLN 22 HN GLN 22 -3.524 -5.596 11.061 173 HA GLN 22 HA GLN 22 -2.308 -6.421 13.538 174 1HB GLN 22 HB2 GLN 22 -4.289 -7.458 13.659 175 2HB GLN 22 HB1 GLN 22 -4.591 -7.186 11.955 176 1HG GLN 22 HG2 GLN 22 -4.152 -9.284 11.428 177 2HG GLN 22 HG1 GLN 22 -2.671 -9.296 12.377 178 1HE2 GLN 22 HE21 GLN 22 -5.720 -10.554 12.082 179 2HE2 GLN 22 HE22 GLN 22 -5.911 -11.201 13.671 180 H ALA 23 HN ALA 23 -2.305 -7.581 10.166 181 HA ALA 23 HA ALA 23 -0.084 -9.362 10.823 182 1HB ALA 23 HB1 ALA 23 -1.638 -10.581 9.662 183 2HB ALA 23 HB2 ALA 23 -0.535 -10.102 8.374 184 3HB ALA 23 HB3 ALA 23 -2.058 -9.240 8.598 185 H SER 24 HN SER 24 -0.858 -6.935 8.286 186 HA SER 24 HA SER 24 1.682 -6.946 7.106 187 1HB SER 24 HB2 SER 24 -0.576 -5.717 6.433 188 2HB SER 24 HB1 SER 24 0.204 -4.358 7.241 189 HG SER 24 HG SER 24 1.455 -5.901 5.222 190 H ASP 25 HN ASP 25 0.761 -5.834 10.184 191 HA ASP 25 HA ASP 25 2.804 -3.822 10.438 192 1HB ASP 25 HB2 ASP 25 0.554 -4.033 11.749 193 2HB ASP 25 HB1 ASP 25 1.471 -5.123 12.786 194 H GLY 26 HN GLY 26 2.970 -7.015 10.140 195 1HA GLY 26 HA2 GLY 26 5.001 -7.519 12.175 196 2HA GLY 26 HA1 GLY 26 4.334 -8.702 11.053 197 H LEU 27 HN LEU 27 4.683 -7.129 8.697 198 HA LEU 27 HA LEU 27 7.522 -7.555 8.284 199 1HB LEU 27 HB2 LEU 27 5.267 -6.905 6.384 200 2HB LEU 27 HB1 LEU 27 6.918 -7.208 5.905 201 HG LEU 27 HG LEU 27 6.027 -9.411 7.481 202 1HD1 LEU 27 HD11 LEU 27 4.052 -10.086 6.582 203 2HD1 LEU 27 HD12 LEU 27 4.330 -9.243 5.057 204 3HD1 LEU 27 HD13 LEU 27 3.812 -8.342 6.482 205 1HD2 LEU 27 HD21 LEU 27 7.541 -8.902 5.193 206 2HD2 LEU 27 HD22 LEU 27 6.219 -9.939 4.657 207 3HD2 LEU 27 HD23 LEU 27 7.271 -10.462 5.973 208 H LEU 28 HN LEU 28 6.899 -5.449 9.951 209 HA LEU 28 HA LEU 28 6.867 -2.967 8.520 210 1HB LEU 28 HB2 LEU 28 6.719 -1.965 10.564 211 2HB LEU 28 HB1 LEU 28 5.940 -3.504 10.849 212 HG LEU 28 HG LEU 28 8.690 -3.784 11.503 213 1HD1 LEU 28 HD11 LEU 28 9.269 -1.981 12.719 214 2HD1 LEU 28 HD12 LEU 28 7.612 -1.640 13.215 215 3HD1 LEU 28 HD13 LEU 28 8.164 -1.176 11.601 216 1HD2 LEU 28 HD21 LEU 28 7.776 -4.891 13.203 217 2HD2 LEU 28 HD22 LEU 28 6.201 -4.482 12.522 218 3HD2 LEU 28 HD23 LEU 28 6.919 -3.457 13.765 219 H PHE 29 HN PHE 29 8.808 -3.237 7.135 220 HA PHE 29 HA PHE 29 11.189 -2.630 8.780 221 1HB PHE 29 HB2 PHE 29 12.397 -3.830 6.778 222 2HB PHE 29 HB1 PHE 29 11.675 -4.788 8.071 223 HD1 PHE 29 HD1 PHE 29 10.397 -6.605 7.420 224 HD2 PHE 29 HD2 PHE 29 10.640 -3.224 4.847 225 HE1 PHE 29 HE1 PHE 29 9.014 -7.813 5.763 226 HE2 PHE 29 HE2 PHE 29 9.248 -4.398 3.183 227 HZ PHE 29 HZ PHE 29 8.374 -6.665 3.685 228 H MET 30 HN MET 30 10.477 -0.267 8.128 229 HA MET 30 HA MET 30 12.254 0.459 6.182 230 1HB MET 30 HB2 MET 30 9.763 -0.263 5.031 231 2HB MET 30 HB1 MET 30 10.159 1.426 4.699 232 1HG MET 30 HG2 MET 30 12.424 -0.353 4.518 233 2HG MET 30 HG1 MET 30 11.149 -0.736 3.352 234 1HE MET 30 HE1 MET 30 13.707 1.627 4.706 235 2HE MET 30 HE2 MET 30 14.100 2.686 3.352 236 3HE MET 30 HE3 MET 30 14.467 0.964 3.257 237 H SER 31 HN SER 31 12.020 2.310 5.003 238 HA SER 31 HA SER 31 11.595 4.593 4.896 239 1HB SER 31 HB2 SER 31 10.837 5.846 6.696 240 2HB SER 31 HB1 SER 31 10.118 4.274 7.055 241 HG SER 31 HG SER 31 11.606 5.612 8.647 242 H GLU 32 HN GLU 32 12.719 6.181 6.927 243 HA GLU 32 HA GLU 32 15.466 6.141 6.376 244 1HB GLU 32 HB2 GLU 32 15.414 7.580 8.517 245 2HB GLU 32 HB1 GLU 32 14.445 8.153 7.154 246 1HG GLU 32 HG2 GLU 32 12.596 8.034 8.355 247 2HG GLU 32 HG1 GLU 32 12.898 6.316 8.702 248 H SER 33 HN SER 33 13.497 4.015 7.861 249 HA SER 33 HA SER 33 15.575 2.577 9.179 250 1HB SER 33 HB2 SER 33 14.870 4.345 10.825 251 2HB SER 33 HB1 SER 33 13.255 3.639 10.807 252 HG SER 33 HG SER 33 15.462 2.842 12.163 253 H GLU 34 HN GLU 34 13.186 1.559 10.843 254 HA GLU 34 HA GLU 34 11.996 -0.217 8.885 255 1HB GLU 34 HB2 GLU 34 13.124 -1.786 10.062 256 2HB GLU 34 HB1 GLU 34 13.351 -0.722 11.438 257 1HG GLU 34 HG2 GLU 34 10.668 -1.297 11.545 258 2HG GLU 34 HG1 GLU 34 11.386 -2.805 10.980 259 H TYR 35 HN TYR 35 9.858 0.504 8.629 260 HA TYR 35 HA TYR 35 8.388 1.064 11.110 261 1HB TYR 35 HB2 TYR 35 8.478 2.730 8.628 262 2HB TYR 35 HB1 TYR 35 7.071 2.775 9.685 263 HD1 TYR 35 HD1 TYR 35 9.934 4.427 8.919 264 HD2 TYR 35 HD2 TYR 35 7.881 2.961 12.331 265 HE1 TYR 35 HE1 TYR 35 11.106 6.077 10.298 266 HE2 TYR 35 HE2 TYR 35 9.039 4.614 13.743 267 HH TYR 35 HH TYR 35 10.602 7.258 12.575 268 HA PRO 36 HA PRO 36 5.208 -1.547 9.479 269 1HB PRO 36 HB2 PRO 36 3.360 -0.575 11.439 270 2HB PRO 36 HB1 PRO 36 4.375 -2.016 11.527 271 1HG PRO 36 HG2 PRO 36 4.682 0.174 13.159 272 2HG PRO 36 HG1 PRO 36 5.990 -0.960 12.760 273 1HD PRO 36 HD2 PRO 36 5.357 1.701 11.514 274 2HD PRO 36 HD1 PRO 36 6.928 1.049 12.043 275 H PHE 37 HN PHE 37 3.315 -1.633 8.413 276 HA PHE 37 HA PHE 37 2.538 0.764 7.058 277 1HB PHE 37 HB2 PHE 37 1.335 -1.979 6.768 278 2HB PHE 37 HB1 PHE 37 1.403 -0.683 5.569 279 HD1 PHE 37 HD1 PHE 37 4.072 0.228 5.462 280 HD2 PHE 37 HD2 PHE 37 2.651 -3.717 6.182 281 HE1 PHE 37 HE1 PHE 37 6.179 -0.693 4.589 282 HE2 PHE 37 HE2 PHE 37 4.739 -4.641 5.321 283 HZ PHE 37 HZ PHE 37 6.627 -2.987 4.627 284 H GLU 38 HN GLU 38 1.047 2.070 7.622 285 HA GLU 38 HA GLU 38 -1.085 1.260 9.485 286 1HB GLU 38 HB2 GLU 38 0.096 3.943 8.779 287 2HB GLU 38 HB1 GLU 38 -1.400 3.781 9.685 288 1HG GLU 38 HG2 GLU 38 0.315 2.133 11.050 289 2HG GLU 38 HG1 GLU 38 1.355 3.468 10.553 290 H VAL 39 HN VAL 39 -3.053 0.983 8.738 291 HA VAL 39 HA VAL 39 -3.647 1.606 5.989 292 HB VAL 39 HB VAL 39 -5.260 0.072 6.097 293 1HG1 VAL 39 HG11 VAL 39 -3.439 -1.139 7.009 294 2HG1 VAL 39 HG12 VAL 39 -4.849 -1.592 7.968 295 3HG1 VAL 39 HG13 VAL 39 -3.678 -0.442 8.610 296 1HG2 VAL 39 HG21 VAL 39 -5.919 1.051 8.876 297 2HG2 VAL 39 HG22 VAL 39 -6.761 -0.263 8.055 298 3HG2 VAL 39 HG23 VAL 39 -6.812 1.369 7.389 299 H PHE 40 HN PHE 40 -5.391 2.908 5.251 300 HA PHE 40 HA PHE 40 -6.877 4.408 7.159 301 1HB PHE 40 HB2 PHE 40 -6.125 6.664 6.240 302 2HB PHE 40 HB1 PHE 40 -5.063 5.840 7.370 303 HD1 PHE 40 HD1 PHE 40 -5.208 4.572 4.000 304 HD2 PHE 40 HD2 PHE 40 -3.228 7.328 6.564 305 HE1 PHE 40 HE1 PHE 40 -3.362 4.742 2.388 306 HE2 PHE 40 HE2 PHE 40 -1.382 7.503 4.956 307 HZ PHE 40 HZ PHE 40 -1.433 6.337 2.898 308 H LEU 41 HN LEU 41 -8.661 5.351 6.434 309 HA LEU 41 HA LEU 41 -9.709 4.538 3.904 310 1HB LEU 41 HB2 LEU 41 -11.163 4.478 5.762 311 2HB LEU 41 HB1 LEU 41 -10.730 6.100 6.260 312 HG LEU 41 HG LEU 41 -12.103 5.775 3.642 313 1HD1 LEU 41 HD11 LEU 41 -14.289 5.823 4.812 314 2HD1 LEU 41 HD12 LEU 41 -13.446 5.519 6.332 315 3HD1 LEU 41 HD13 LEU 41 -13.408 4.313 5.045 316 1HD2 LEU 41 HD21 LEU 41 -12.265 7.983 3.850 317 2HD2 LEU 41 HD22 LEU 41 -11.366 7.889 5.364 318 3HD2 LEU 41 HD23 LEU 41 -13.128 7.801 5.377 319 H TRP 42 HN TRP 42 -9.924 5.744 2.025 320 HA TRP 42 HA TRP 42 -9.332 8.624 2.183 321 1HB TRP 42 HB2 TRP 42 -8.023 6.495 0.600 322 2HB TRP 42 HB1 TRP 42 -8.202 8.086 -0.117 323 HD1 TRP 42 HD1 TRP 42 -6.960 6.586 3.186 324 HE1 TRP 42 HE1 TRP 42 -4.874 7.922 3.951 325 HE3 TRP 42 HE3 TRP 42 -6.813 10.049 -0.554 326 HZ2 TRP 42 HZ2 TRP 42 -3.383 10.167 3.062 327 HZ3 TRP 42 HZ3 TRP 42 -5.040 11.755 -0.538 328 HH2 TRP 42 HH2 TRP 42 -3.361 11.813 1.237 329 H GLU 43 HN GLU 43 -10.661 9.887 1.129 330 HA GLU 43 HA GLU 43 -12.707 8.786 -0.589 331 1HB GLU 43 HB2 GLU 43 -12.163 11.548 0.480 332 2HB GLU 43 HB1 GLU 43 -13.445 11.221 -0.679 333 1HG GLU 43 HG2 GLU 43 -13.795 9.319 1.324 334 2HG GLU 43 HG1 GLU 43 -13.389 10.812 2.174 335 H GLY 44 HN GLY 44 -9.584 9.690 -1.019 336 1HA GLY 44 HA2 GLY 44 -10.018 10.722 -3.749 337 2HA GLY 44 HA1 GLY 44 -8.525 10.878 -2.831 338 H SER 45 HN SER 45 -9.202 7.970 -2.005 339 HA SER 45 HA SER 45 -7.364 6.651 -3.630 340 1HB SER 45 HB2 SER 45 -8.197 6.001 -1.308 341 2HB SER 45 HB1 SER 45 -9.552 5.239 -2.130 342 HG SER 45 HG SER 45 -7.687 3.863 -1.705 343 H ALA 46 HN ALA 46 -8.183 4.378 -4.629 344 HA ALA 46 HA ALA 46 -9.462 3.233 -6.170 345 1HB ALA 46 HB1 ALA 46 -11.450 4.390 -7.234 346 2HB ALA 46 HB2 ALA 46 -11.185 5.686 -6.071 347 3HB ALA 46 HB3 ALA 46 -11.545 4.056 -5.507 348 HA PRO 47 HA PRO 47 -7.494 4.545 -9.914 349 1HB PRO 47 HB2 PRO 47 -9.697 3.506 -11.550 350 2HB PRO 47 HB1 PRO 47 -8.029 2.940 -11.434 351 1HG PRO 47 HG2 PRO 47 -10.095 1.528 -10.437 352 2HG PRO 47 HG1 PRO 47 -8.491 1.522 -9.680 353 1HD PRO 47 HD2 PRO 47 -10.957 3.024 -8.888 354 2HD PRO 47 HD1 PRO 47 -9.766 2.196 -7.863 355 HA PRO 48 HA PRO 48 -10.024 8.187 -10.882 356 1HB PRO 48 HB2 PRO 48 -8.168 10.008 -10.277 357 2HB PRO 48 HB1 PRO 48 -9.002 9.102 -9.009 358 1HG PRO 48 HG2 PRO 48 -6.219 8.870 -9.956 359 2HG PRO 48 HG1 PRO 48 -6.918 8.399 -8.400 360 1HD PRO 48 HD2 PRO 48 -6.381 6.753 -10.717 361 2HD PRO 48 HD1 PRO 48 -6.950 6.255 -9.111 362 H VAL 49 HN VAL 49 -7.728 10.231 -11.652 363 HA VAL 49 HA VAL 49 -8.033 9.934 -14.463 364 HB VAL 49 HB VAL 49 -6.347 11.735 -12.734 365 1HG1 VAL 49 HG11 VAL 49 -6.548 12.221 -15.661 366 2HG1 VAL 49 HG12 VAL 49 -5.364 11.054 -15.076 367 3HG1 VAL 49 HG13 VAL 49 -5.306 12.723 -14.515 368 1HG2 VAL 49 HG21 VAL 49 -8.301 12.813 -12.669 369 2HG2 VAL 49 HG22 VAL 49 -8.968 11.858 -13.993 370 3HG2 VAL 49 HG23 VAL 49 -7.966 13.268 -14.340 371 H THR 50 HN THR 50 -5.501 9.295 -12.117 372 HA THR 50 HA THR 50 -4.342 7.224 -13.697 373 HB THR 50 HB THR 50 -2.452 9.508 -13.155 374 HG1 THR 50 HG1 THR 50 -2.899 10.389 -15.080 375 1HG2 THR 50 HG21 THR 50 -2.395 7.077 -14.938 376 2HG2 THR 50 HG22 THR 50 -1.377 7.409 -13.535 377 3HG2 THR 50 HG23 THR 50 -1.193 8.366 -15.007 378 H HIS 51 HN HIS 51 -2.760 6.023 -12.449 379 HA HIS 51 HA HIS 51 -3.291 6.007 -9.686 380 1HB HIS 51 HB2 HIS 51 -0.801 4.858 -10.951 381 2HB HIS 51 HB1 HIS 51 -1.634 4.301 -9.505 382 HD1 HIS 51 HD1 HIS 51 -1.744 4.124 -13.228 383 HD2 HIS 51 HD2 HIS 51 -3.887 2.686 -9.972 384 HE1 HIS 51 HE1 HIS 51 -3.266 2.354 -14.156 385 HE2 HIS 51 HE2 HIS 51 -4.603 1.544 -12.180 386 H GLU 52 HN GLU 52 -2.984 8.194 -9.057 387 HA GLU 52 HA GLU 52 -0.670 8.795 -7.700 388 1HB GLU 52 HB2 GLU 52 0.335 10.577 -9.133 389 2HB GLU 52 HB1 GLU 52 0.523 8.956 -9.787 390 1HG GLU 52 HG2 GLU 52 -1.498 9.426 -11.214 391 2HG GLU 52 HG1 GLU 52 -1.371 11.105 -10.690 392 H ILE 53 HN ILE 53 -3.711 9.537 -8.878 393 HA ILE 53 HA ILE 53 -3.997 12.268 -8.461 394 HB ILE 53 HB ILE 53 -5.740 10.058 -8.848 395 1HG1 ILE 53 HG12 ILE 53 -5.663 11.963 -10.323 396 2HG1 ILE 53 HG11 ILE 53 -7.286 11.826 -9.655 397 1HG2 ILE 53 HG21 ILE 53 -6.296 10.325 -6.453 398 2HG2 ILE 53 HG22 ILE 53 -7.662 10.604 -7.532 399 3HG2 ILE 53 HG23 ILE 53 -6.824 11.972 -6.800 400 1HD1 ILE 53 HD11 ILE 53 -7.179 13.896 -8.905 401 2HD1 ILE 53 HD12 ILE 53 -5.589 14.059 -9.652 402 3HD1 ILE 53 HD13 ILE 53 -5.727 13.520 -7.978 403 H VAL 54 HN VAL 54 -4.227 9.624 -6.129 404 HA VAL 54 HA VAL 54 -5.138 10.966 -3.929 405 HB VAL 54 HB VAL 54 -3.164 8.749 -4.217 406 1HG1 VAL 54 HG11 VAL 54 -4.185 9.292 -1.513 407 2HG1 VAL 54 HG12 VAL 54 -2.946 10.393 -2.109 408 3HG1 VAL 54 HG13 VAL 54 -2.624 8.663 -2.033 409 1HG2 VAL 54 HG21 VAL 54 -5.564 8.324 -2.634 410 2HG2 VAL 54 HG22 VAL 54 -4.935 7.409 -4.003 411 3HG2 VAL 54 HG23 VAL 54 -5.909 8.852 -4.281 412 H LEU 55 HN LEU 55 -2.028 11.097 -5.472 413 HA LEU 55 HA LEU 55 -0.534 12.311 -3.448 414 1HB LEU 55 HB2 LEU 55 -0.266 12.555 -6.442 415 2HB LEU 55 HB1 LEU 55 0.921 13.119 -5.299 416 HG LEU 55 HG LEU 55 0.107 10.224 -5.435 417 1HD1 LEU 55 HD11 LEU 55 1.544 11.707 -7.400 418 2HD1 LEU 55 HD12 LEU 55 1.157 9.987 -7.366 419 3HD1 LEU 55 HD13 LEU 55 2.640 10.573 -6.610 420 1HD2 LEU 55 HD21 LEU 55 1.470 11.374 -3.486 421 2HD2 LEU 55 HD22 LEU 55 2.807 11.193 -4.625 422 3HD2 LEU 55 HD23 LEU 55 1.906 9.777 -4.089 423 H GLN 56 HN GLN 56 -2.051 13.873 -6.267 424 HA GLN 56 HA GLN 56 -1.553 16.501 -5.670 425 1HB GLN 56 HB2 GLN 56 -4.268 16.338 -6.571 426 2HB GLN 56 HB1 GLN 56 -2.847 16.879 -7.436 427 1HG GLN 56 HG2 GLN 56 -3.698 14.012 -7.185 428 2HG GLN 56 HG1 GLN 56 -4.078 15.057 -8.549 429 1HE2 GLN 56 HE21 GLN 56 -2.838 12.796 -9.090 430 2HE2 GLN 56 HE22 GLN 56 -1.182 13.062 -9.479 431 H GLN 57 HN GLN 57 -3.722 14.368 -4.067 432 HA GLN 57 HA GLN 57 -5.200 16.498 -2.785 433 1HB GLN 57 HB2 GLN 57 -5.436 13.893 -1.513 434 2HB GLN 57 HB1 GLN 57 -6.673 14.921 -2.218 435 1HG GLN 57 HG2 GLN 57 -5.267 13.873 -4.386 436 2HG GLN 57 HG1 GLN 57 -5.460 12.542 -3.255 437 1HE2 GLN 57 HE21 GLN 57 -6.803 11.534 -4.749 438 2HE2 GLN 57 HE22 GLN 57 -8.456 12.014 -4.936 439 H THR 58 HN THR 58 -2.425 14.538 -2.074 440 HA THR 58 HA THR 58 -2.327 15.598 0.660 441 HB THR 58 HB THR 58 -0.206 13.729 0.054 442 HG1 THR 58 HG1 THR 58 -1.746 12.890 -1.440 443 1HG2 THR 58 HG21 THR 58 -1.139 12.567 2.005 444 2HG2 THR 58 HG22 THR 58 -2.555 13.618 1.951 445 3HG2 THR 58 HG23 THR 58 -0.965 14.295 2.308 446 H GLY 59 HN GLY 59 0.406 14.575 -1.347 447 1HA GLY 59 HA2 GLY 59 1.518 17.306 -1.065 448 2HA GLY 59 HA1 GLY 59 2.496 15.861 -0.878 449 H HIS 60 HN HIS 60 0.402 15.149 -3.233 450 HA HIS 60 HA HIS 60 0.607 14.735 -5.442 451 1HB HIS 60 HB2 HIS 60 1.721 17.093 -6.484 452 2HB HIS 60 HB1 HIS 60 0.027 16.639 -6.432 453 HD1 HIS 60 HD1 HIS 60 2.556 18.812 -4.738 454 HD2 HIS 60 HD2 HIS 60 -1.504 17.966 -4.500 455 HE1 HIS 60 HE1 HIS 60 1.585 20.590 -3.248 456 HE2 HIS 60 HE2 HIS 60 -0.849 19.986 -3.024 457 H GLY 61 HN GLY 61 2.152 13.159 -5.658 458 1HA GLY 61 HA2 GLY 61 4.900 13.473 -5.346 459 2HA GLY 61 HA1 GLY 61 4.133 12.236 -6.329 460 H GLN 62 HN GLN 62 2.862 14.143 -8.127 461 HA GLN 62 HA GLN 62 5.032 14.476 -9.965 462 1HB GLN 62 HB2 GLN 62 2.973 15.901 -11.073 463 2HB GLN 62 HB1 GLN 62 3.242 14.179 -11.297 464 1HG GLN 62 HG2 GLN 62 1.616 15.128 -8.983 465 2HG GLN 62 HG1 GLN 62 0.901 15.065 -10.594 466 1HE2 GLN 62 HE21 GLN 62 0.249 13.540 -8.215 467 2HE2 GLN 62 HE22 GLN 62 0.438 11.877 -8.639 468 H ASP 63 HN ASP 63 4.440 16.115 -7.322 469 HA ASP 63 HA ASP 63 5.626 18.575 -8.333 470 1HB ASP 63 HB2 ASP 63 2.886 18.425 -7.794 471 2HB ASP 63 HB1 ASP 63 3.576 19.182 -6.361 472 H ALA 64 HN ALA 64 5.570 16.098 -6.216 473 HA ALA 64 HA ALA 64 6.757 17.615 -3.996 474 1HB ALA 64 HB1 ALA 64 5.258 15.041 -4.170 475 2HB ALA 64 HB2 ALA 64 5.044 16.396 -3.061 476 3HB ALA 64 HB3 ALA 64 6.400 15.286 -2.850 477 HA PRO 65 HA PRO 65 10.788 15.878 -4.442 478 1HB PRO 65 HB2 PRO 65 10.711 14.425 -1.896 479 2HB PRO 65 HB1 PRO 65 11.773 15.740 -2.405 480 1HG PRO 65 HG2 PRO 65 9.807 16.072 -0.585 481 2HG PRO 65 HG1 PRO 65 10.327 17.361 -1.682 482 1HD PRO 65 HD2 PRO 65 7.896 15.666 -1.774 483 2HD PRO 65 HD1 PRO 65 8.117 17.351 -2.276 484 H PHE 66 HN PHE 66 8.221 13.703 -3.656 485 HA PHE 66 HA PHE 66 9.656 11.682 -5.122 486 1HB PHE 66 HB2 PHE 66 9.389 11.462 -2.432 487 2HB PHE 66 HB1 PHE 66 8.116 10.437 -3.062 488 HD1 PHE 66 HD1 PHE 66 11.703 10.976 -2.868 489 HD2 PHE 66 HD2 PHE 66 8.630 8.449 -4.411 490 HE1 PHE 66 HE1 PHE 66 13.384 9.259 -3.397 491 HE2 PHE 66 HE2 PHE 66 10.313 6.732 -4.929 492 HZ PHE 66 HZ PHE 66 12.689 7.134 -4.427 493 H LYS 67 HN LYS 67 8.073 9.679 -5.399 494 HA LYS 67 HA LYS 67 5.694 10.745 -6.726 495 1HB LYS 67 HB2 LYS 67 7.393 8.453 -7.680 496 2HB LYS 67 HB1 LYS 67 6.089 9.253 -8.553 497 1HG LYS 67 HG2 LYS 67 7.568 11.370 -8.353 498 2HG LYS 67 HG1 LYS 67 8.865 10.222 -8.011 499 1HD LYS 67 HD2 LYS 67 9.107 9.932 -10.203 500 2HD LYS 67 HD1 LYS 67 7.503 9.199 -10.238 501 1HE LYS 67 HE2 LYS 67 7.579 12.148 -10.213 502 2HE LYS 67 HE1 LYS 67 8.196 11.375 -11.672 503 1HZ LYS 67 HZ1 LYS 67 5.951 10.010 -11.326 504 2HZ LYS 67 HZ2 LYS 67 6.029 11.436 -12.234 505 3HZ LYS 67 HZ3 LYS 67 5.483 11.481 -10.633 506 H VAL 68 HN VAL 68 4.503 8.661 -7.648 507 HA VAL 68 HA VAL 68 3.540 7.267 -5.293 508 HB VAL 68 HB VAL 68 1.766 8.139 -6.496 509 1HG1 VAL 68 HG11 VAL 68 1.831 7.381 -9.127 510 2HG1 VAL 68 HG12 VAL 68 3.531 7.704 -8.777 511 3HG1 VAL 68 HG13 VAL 68 2.321 8.956 -8.500 512 1HG2 VAL 68 HG21 VAL 68 0.540 6.285 -6.614 513 2HG2 VAL 68 HG22 VAL 68 2.030 5.358 -6.446 514 3HG2 VAL 68 HG23 VAL 68 1.405 5.738 -8.051 515 H VAL 69 HN VAL 69 3.980 5.288 -4.810 516 HA VAL 69 HA VAL 69 5.204 3.455 -6.756 517 HB VAL 69 HB VAL 69 5.401 2.206 -4.296 518 1HG1 VAL 69 HG11 VAL 69 7.396 4.045 -5.604 519 2HG1 VAL 69 HG12 VAL 69 7.137 2.345 -5.998 520 3HG1 VAL 69 HG13 VAL 69 7.763 2.797 -4.412 521 1HG2 VAL 69 HG21 VAL 69 6.187 3.831 -2.697 522 2HG2 VAL 69 HG22 VAL 69 4.569 4.295 -3.218 523 3HG2 VAL 69 HG23 VAL 69 5.978 5.136 -3.872 524 H ASP 70 HN ASP 70 4.525 1.007 -5.711 525 HA ASP 70 HA ASP 70 1.577 1.068 -5.673 526 1HB ASP 70 HB2 ASP 70 3.166 0.151 -7.787 527 2HB ASP 70 HB1 ASP 70 2.539 -1.299 -7.009 528 H ILE 71 HN ILE 71 0.479 -0.731 -4.808 529 HA ILE 71 HA ILE 71 1.117 -1.628 -2.328 530 HB ILE 71 HB ILE 71 -0.959 -1.996 -3.901 531 1HG1 ILE 71 HG12 ILE 71 -1.664 -2.463 -1.812 532 2HG1 ILE 71 HG11 ILE 71 -1.481 -4.156 -2.307 533 1HG2 ILE 71 HG21 ILE 71 -0.355 -3.536 -5.456 534 2HG2 ILE 71 HG22 ILE 71 -1.113 -4.575 -4.249 535 3HG2 ILE 71 HG23 ILE 71 0.641 -4.453 -4.326 536 1HD1 ILE 71 HD11 ILE 71 0.954 -3.826 -1.395 537 2HD1 ILE 71 HD12 ILE 71 -0.387 -4.130 -0.289 538 3HD1 ILE 71 HD13 ILE 71 0.227 -2.488 -0.505 539 H ASP 72 HN ASP 72 1.866 -3.271 -5.356 540 HA ASP 72 HA ASP 72 3.360 -5.305 -3.966 541 1HB ASP 72 HB2 ASP 72 3.596 -6.344 -6.146 542 2HB ASP 72 HB1 ASP 72 1.914 -5.864 -5.898 543 H SER 73 HN SER 73 3.914 -2.335 -5.661 544 HA SER 73 HA SER 73 6.655 -2.789 -6.253 545 1HB SER 73 HB2 SER 73 4.746 -0.725 -6.725 546 2HB SER 73 HB1 SER 73 6.200 -0.003 -6.032 547 HG SER 73 HG SER 73 5.985 -0.457 -8.461 548 H PHE 74 HN PHE 74 5.187 -0.605 -3.720 549 HA PHE 74 HA PHE 74 7.725 -0.166 -2.543 550 1HB PHE 74 HB2 PHE 74 5.747 1.279 -2.041 551 2HB PHE 74 HB1 PHE 74 5.072 -0.046 -1.089 552 HD1 PHE 74 HD1 PHE 74 7.153 2.815 -1.027 553 HD2 PHE 74 HD2 PHE 74 6.571 -0.976 0.826 554 HE1 PHE 74 HE1 PHE 74 8.360 3.618 0.956 555 HE2 PHE 74 HE2 PHE 74 7.789 -0.187 2.814 556 HZ PHE 74 HZ PHE 74 8.911 1.955 2.794 557 H PHE 75 HN PHE 75 5.217 -2.533 -1.976 558 HA PHE 75 HA PHE 75 6.752 -3.779 0.129 559 1HB PHE 75 HB2 PHE 75 4.131 -4.655 -1.097 560 2HB PHE 75 HB1 PHE 75 4.832 -5.227 0.418 561 HD1 PHE 75 HD1 PHE 75 3.549 -2.142 -1.255 562 HD2 PHE 75 HD2 PHE 75 4.398 -4.133 2.409 563 HE1 PHE 75 HE1 PHE 75 2.374 -0.345 -0.013 564 HE2 PHE 75 HE2 PHE 75 3.255 -2.368 3.654 565 HZ PHE 75 HZ PHE 75 2.357 -0.325 2.345 566 H SER 76 HN SER 76 7.262 -3.623 -2.921 567 HA SER 76 HA SER 76 7.601 -6.388 -3.715 568 1HB SER 76 HB2 SER 76 7.530 -4.087 -5.193 569 2HB SER 76 HB1 SER 76 9.271 -4.329 -5.054 570 HG SER 76 HG SER 76 9.092 -6.263 -6.076 571 H ARG 77 HN ARG 77 9.684 -3.655 -2.916 572 HA ARG 77 HA ARG 77 12.105 -5.041 -2.660 573 1HB ARG 77 HB2 ARG 77 12.395 -3.139 -0.754 574 2HB ARG 77 HB1 ARG 77 12.572 -2.817 -2.471 575 1HG ARG 77 HG2 ARG 77 10.760 -1.492 -2.525 576 2HG ARG 77 HG1 ARG 77 9.819 -2.583 -1.510 577 1HD ARG 77 HD2 ARG 77 10.059 -0.587 -0.278 578 2HD ARG 77 HD1 ARG 77 11.167 -1.752 0.446 579 HE ARG 77 HE ARG 77 11.899 0.582 -1.166 580 1HH1 ARG 77 HH11 ARG 77 12.851 -2.173 0.741 581 2HH1 ARG 77 HH12 ARG 77 14.484 -1.633 0.944 582 1HH2 ARG 77 HH21 ARG 77 14.046 1.305 -0.902 583 2HH2 ARG 77 HH22 ARG 77 15.163 0.345 0.009 584 H ALA 78 HN ALA 78 9.247 -5.237 -0.977 585 HA ALA 78 HA ALA 78 10.313 -6.306 1.502 586 1HB ALA 78 HB1 ALA 78 8.254 -4.772 1.300 587 2HB ALA 78 HB2 ALA 78 8.106 -6.212 2.308 588 3HB ALA 78 HB3 ALA 78 7.423 -6.202 0.685 589 H THR 79 HN THR 79 11.176 -8.255 1.036 590 HA THR 79 HA THR 79 10.932 -10.587 1.008 591 HB THR 79 HB THR 79 8.539 -10.339 -0.798 592 HG1 THR 79 HG1 THR 79 8.537 -10.587 2.046 593 1HG2 THR 79 HG21 THR 79 9.803 -12.516 -0.577 594 2HG2 THR 79 HG22 THR 79 8.089 -12.585 -0.174 595 3HG2 THR 79 HG23 THR 79 9.296 -12.543 1.111 596 H THR 80 HN THR 80 11.237 -8.309 -1.411 597 HA THR 80 HA THR 80 11.608 -9.889 -3.706 598 HB THR 80 HB THR 80 12.178 -7.113 -2.940 599 HG1 THR 80 HG1 THR 80 11.326 -8.435 -5.315 600 1HG2 THR 80 HG21 THR 80 13.663 -6.754 -4.942 601 2HG2 THR 80 HG22 THR 80 13.904 -8.500 -4.989 602 3HG2 THR 80 HG23 THR 80 14.431 -7.574 -3.583 603 HA PRO 81 HA PRO 81 15.422 -12.009 -2.911 604 1HB PRO 81 HB2 PRO 81 15.593 -12.048 -5.874 605 2HB PRO 81 HB1 PRO 81 15.578 -13.398 -4.734 606 1HG PRO 81 HG2 PRO 81 13.418 -12.946 -6.154 607 2HG PRO 81 HG1 PRO 81 13.252 -13.238 -4.419 608 1HD PRO 81 HD2 PRO 81 13.311 -10.618 -5.828 609 2HD PRO 81 HD1 PRO 81 12.088 -11.229 -4.701 610 H GLN 82 HN GLN 82 17.270 -11.125 -2.330 611 HA GLN 82 HA GLN 82 18.269 -8.671 -3.089 612 1HB GLN 82 HB2 GLN 82 20.126 -10.970 -2.510 613 2HB GLN 82 HB1 GLN 82 20.301 -9.279 -2.060 614 1HG GLN 82 HG2 GLN 82 19.456 -9.739 -0.077 615 2HG GLN 82 HG1 GLN 82 17.939 -10.210 -0.840 616 1HE2 GLN 82 HE21 GLN 82 18.894 -12.464 -2.223 617 2HE2 GLN 82 HE22 GLN 82 19.263 -13.690 -1.064 618 H ASP 83 HN ASP 83 18.595 -11.818 -4.531 619 HA ASP 83 HA ASP 83 18.732 -11.147 -7.120 620 1HB ASP 83 HB2 ASP 83 21.110 -10.214 -5.955 621 2HB ASP 83 HB1 ASP 83 21.562 -11.679 -6.828 622 H TRP 84 HN TRP 84 19.926 -13.247 -4.612 623 HA TRP 84 HA TRP 84 20.148 -15.400 -6.570 624 1HB TRP 84 HB2 TRP 84 21.193 -16.576 -4.454 625 2HB TRP 84 HB1 TRP 84 22.121 -15.476 -5.455 626 HD1 TRP 84 HD1 TRP 84 20.470 -15.692 -1.998 627 HE1 TRP 84 HE1 TRP 84 21.442 -13.788 -0.549 628 HE3 TRP 84 HE3 TRP 84 23.104 -13.263 -5.588 629 HZ2 TRP 84 HZ2 TRP 84 23.129 -11.530 -0.919 630 HZ3 TRP 84 HZ3 TRP 84 24.358 -11.270 -4.998 631 HH2 TRP 84 HH2 TRP 84 24.386 -10.398 -2.709 632 H TYR 85 HN TYR 85 18.557 -14.656 -3.472 633 HA TYR 85 HA TYR 85 17.283 -16.245 -2.209 634 1HB TYR 85 HB2 TYR 85 15.971 -14.567 -4.213 635 2HB TYR 85 HB1 TYR 85 14.952 -15.893 -3.662 636 HD1 TYR 85 HD1 TYR 85 17.465 -14.531 -1.394 637 HD2 TYR 85 HD2 TYR 85 13.407 -14.256 -2.635 638 HE1 TYR 85 HE1 TYR 85 16.940 -13.250 0.635 639 HE2 TYR 85 HE2 TYR 85 12.873 -12.971 -0.606 640 HH TYR 85 HH TYR 85 14.572 -11.377 1.065 641 H GLU 86 HN GLU 86 15.387 -16.900 -5.014 642 HA GLU 86 HA GLU 86 16.656 -19.450 -5.488 643 1HB GLU 86 HB2 GLU 86 15.239 -20.669 -4.241 644 2HB GLU 86 HB1 GLU 86 14.331 -19.246 -3.810 645 1HG GLU 86 HG2 GLU 86 12.862 -19.524 -5.597 646 2HG GLU 86 HG1 GLU 86 13.910 -20.714 -6.370 647 H ASP 87 HN ASP 87 16.457 -19.988 -7.590 648 HA ASP 87 HA ASP 87 15.931 -18.150 -9.497 649 1HB ASP 87 HB2 ASP 87 15.272 -21.070 -9.929 650 2HB ASP 87 HB1 ASP 87 15.840 -19.909 -11.126 651 H GLU 88 HN GLU 88 13.597 -20.391 -8.134 652 HA GLU 88 HA GLU 88 11.437 -19.276 -9.691 653 1HB GLU 88 HB2 GLU 88 10.296 -20.905 -7.763 654 2HB GLU 88 HB1 GLU 88 10.680 -21.362 -9.415 655 1HG GLU 88 HG2 GLU 88 12.751 -21.549 -7.293 656 2HG GLU 88 HG1 GLU 88 11.518 -22.802 -7.430 657 H GLU 89 HN GLU 89 12.881 -18.794 -6.646 658 HA GLU 89 HA GLU 89 10.670 -17.736 -5.223 659 1HB GLU 89 HB2 GLU 89 13.546 -17.939 -4.813 660 2HB GLU 89 HB1 GLU 89 12.874 -16.447 -4.198 661 1HG GLU 89 HG2 GLU 89 11.152 -17.871 -3.000 662 2HG GLU 89 HG1 GLU 89 12.170 -19.252 -3.409 663 H ASN 90 HN ASN 90 12.903 -16.473 -7.568 664 HA ASN 90 HA ASN 90 12.631 -13.822 -6.933 665 1HB ASN 90 HB2 ASN 90 12.555 -14.782 -9.804 666 2HB ASN 90 HB1 ASN 90 13.256 -13.291 -9.184 667 1HD2 ASN 90 HD21 ASN 90 14.632 -14.398 -6.986 668 2HD2 ASN 90 HD22 ASN 90 15.943 -15.342 -7.598 669 H ALA 91 HN ALA 91 10.658 -15.982 -8.865 670 HA ALA 91 HA ALA 91 8.461 -14.075 -9.013 671 1HB ALA 91 HB1 ALA 91 8.314 -15.090 -10.997 672 2HB ALA 91 HB2 ALA 91 7.524 -16.396 -10.114 673 3HB ALA 91 HB3 ALA 91 9.251 -16.483 -10.460 674 H VAL 92 HN VAL 92 9.478 -16.718 -7.019 675 HA VAL 92 HA VAL 92 6.792 -17.367 -6.125 676 HB VAL 92 HB VAL 92 9.531 -18.440 -5.450 677 1HG1 VAL 92 HG11 VAL 92 7.884 -19.903 -3.835 678 2HG1 VAL 92 HG12 VAL 92 7.248 -18.274 -3.615 679 3HG1 VAL 92 HG13 VAL 92 8.949 -18.608 -3.289 680 1HG2 VAL 92 HG21 VAL 92 8.845 -20.229 -6.594 681 2HG2 VAL 92 HG22 VAL 92 7.515 -19.220 -7.162 682 3HG2 VAL 92 HG23 VAL 92 7.289 -20.273 -5.766 683 H VAL 93 HN VAL 93 9.739 -16.011 -4.772 684 HA VAL 93 HA VAL 93 8.756 -15.295 -2.308 685 HB VAL 93 HB VAL 93 11.165 -14.999 -3.576 686 1HG1 VAL 93 HG11 VAL 93 11.710 -12.580 -3.381 687 2HG1 VAL 93 HG12 VAL 93 9.988 -12.254 -3.186 688 3HG1 VAL 93 HG13 VAL 93 10.586 -12.965 -4.686 689 1HG2 VAL 93 HG21 VAL 93 11.146 -13.370 -1.224 690 2HG2 VAL 93 HG22 VAL 93 11.773 -15.003 -1.444 691 3HG2 VAL 93 HG23 VAL 93 10.086 -14.760 -0.987 692 H ALA 94 HN ALA 94 8.613 -13.640 -5.439 693 HA ALA 94 HA ALA 94 7.431 -11.223 -4.548 694 1HB ALA 94 HB1 ALA 94 6.627 -11.053 -6.921 695 2HB ALA 94 HB2 ALA 94 7.298 -12.659 -7.205 696 3HB ALA 94 HB3 ALA 94 8.360 -11.325 -6.754 697 H LYS 95 HN LYS 95 6.101 -14.412 -5.379 698 HA LYS 95 HA LYS 95 3.399 -13.819 -5.535 699 1HB LYS 95 HB2 LYS 95 4.530 -16.213 -4.067 700 2HB LYS 95 HB1 LYS 95 2.924 -16.073 -4.762 701 1HG LYS 95 HG2 LYS 95 5.548 -16.334 -6.192 702 2HG LYS 95 HG1 LYS 95 4.170 -17.433 -6.218 703 1HD LYS 95 HD2 LYS 95 3.474 -14.748 -7.092 704 2HD LYS 95 HD1 LYS 95 4.747 -15.476 -8.076 705 1HE LYS 95 HE2 LYS 95 3.372 -17.370 -8.569 706 2HE LYS 95 HE1 LYS 95 2.148 -16.854 -7.410 707 1HZ LYS 95 HZ1 LYS 95 2.896 -15.246 -9.785 708 2HZ LYS 95 HZ2 LYS 95 1.554 -15.041 -8.777 709 3HZ LYS 95 HZ3 LYS 95 1.644 -16.383 -9.802 710 H PHE 96 HN PHE 96 5.535 -13.961 -2.777 711 HA PHE 96 HA PHE 96 3.492 -13.800 -0.796 712 1HB PHE 96 HB2 PHE 96 6.001 -14.474 -0.519 713 2HB PHE 96 HB1 PHE 96 6.276 -12.743 -0.366 714 HD1 PHE 96 HD1 PHE 96 4.428 -11.619 1.301 715 HD2 PHE 96 HD2 PHE 96 5.881 -15.617 1.461 716 HE1 PHE 96 HE1 PHE 96 3.840 -11.735 3.687 717 HE2 PHE 96 HE2 PHE 96 5.294 -15.739 3.846 718 HZ PHE 96 HZ PHE 96 4.290 -13.810 4.967 719 H GLN 97 HN GLN 97 5.706 -11.381 -2.191 720 HA GLN 97 HA GLN 97 4.830 -9.085 -0.980 721 1HB GLN 97 HB2 GLN 97 5.358 -9.378 -3.950 722 2HB GLN 97 HB1 GLN 97 5.563 -7.929 -2.991 723 1HG GLN 97 HG2 GLN 97 7.452 -8.796 -1.890 724 2HG GLN 97 HG1 GLN 97 7.143 -10.423 -2.489 725 1HE2 GLN 97 HE21 GLN 97 9.204 -10.547 -3.320 726 2HE2 GLN 97 HE22 GLN 97 9.643 -9.737 -4.773 727 H LYS 98 HN LYS 98 3.279 -11.084 -3.334 728 HA LYS 98 HA LYS 98 1.117 -9.302 -3.983 729 1HB LYS 98 HB2 LYS 98 1.782 -12.181 -4.541 730 2HB LYS 98 HB1 LYS 98 0.180 -11.549 -4.912 731 1HG LYS 98 HG2 LYS 98 1.602 -9.681 -6.138 732 2HG LYS 98 HG1 LYS 98 2.789 -10.987 -6.202 733 1HD LYS 98 HD2 LYS 98 0.210 -12.006 -6.906 734 2HD LYS 98 HD1 LYS 98 0.562 -10.578 -7.882 735 1HE LYS 98 HE2 LYS 98 2.896 -12.242 -7.690 736 2HE LYS 98 HE1 LYS 98 1.522 -13.195 -8.250 737 1HZ LYS 98 HZ1 LYS 98 1.147 -11.544 -9.985 738 2HZ LYS 98 HZ2 LYS 98 2.697 -12.209 -10.101 739 3HZ LYS 98 HZ3 LYS 98 2.487 -10.658 -9.456 740 H LEU 99 HN LEU 99 1.417 -12.370 -2.229 741 HA LEU 99 HA LEU 99 -1.121 -12.602 -1.226 742 1HB LEU 99 HB2 LEU 99 1.501 -13.677 -0.588 743 2HB LEU 99 HB1 LEU 99 0.514 -13.483 0.847 744 HG LEU 99 HG LEU 99 0.238 -15.718 0.041 745 1HD1 LEU 99 HD11 LEU 99 -2.163 -15.809 -0.336 746 2HD1 LEU 99 HD12 LEU 99 -2.180 -14.086 -0.712 747 3HD1 LEU 99 HD13 LEU 99 -1.767 -14.629 0.914 748 1HD2 LEU 99 HD21 LEU 99 0.342 -16.268 -2.105 749 2HD2 LEU 99 HD22 LEU 99 0.564 -14.561 -2.490 750 3HD2 LEU 99 HD23 LEU 99 -1.056 -15.260 -2.478 751 H LEU 100 HN LEU 100 1.289 -10.350 -0.463 752 HA LEU 100 HA LEU 100 0.346 -9.635 2.136 753 1HB LEU 100 HB2 LEU 100 2.528 -9.000 1.837 754 2HB LEU 100 HB1 LEU 100 2.254 -8.622 0.152 755 HG LEU 100 HG LEU 100 0.806 -6.796 1.782 756 1HD1 LEU 100 HD11 LEU 100 2.977 -7.576 3.166 757 2HD1 LEU 100 HD12 LEU 100 2.296 -5.952 3.243 758 3HD1 LEU 100 HD13 LEU 100 3.670 -6.282 2.187 759 1HD2 LEU 100 HD21 LEU 100 2.625 -5.303 0.516 760 2HD2 LEU 100 HD22 LEU 100 1.182 -5.944 -0.269 761 3HD2 LEU 100 HD23 LEU 100 2.727 -6.777 -0.445 762 H GLU 101 HN GLU 101 0.199 -7.973 -1.046 763 HA GLU 101 HA GLU 101 -1.551 -5.976 -0.142 764 1HB GLU 101 HB2 GLU 101 -1.945 -5.428 -2.401 765 2HB GLU 101 HB1 GLU 101 -0.256 -5.893 -2.258 766 1HG GLU 101 HG2 GLU 101 -1.510 -8.228 -2.988 767 2HG GLU 101 HG1 GLU 101 -2.383 -6.990 -3.886 768 H VAL 102 HN VAL 102 -2.140 -9.118 -1.490 769 HA VAL 102 HA VAL 102 -4.965 -8.697 -1.673 770 HB VAL 102 HB VAL 102 -3.410 -9.945 -3.216 771 1HG1 VAL 102 HG11 VAL 102 -2.635 -11.388 -1.160 772 2HG1 VAL 102 HG12 VAL 102 -2.748 -12.108 -2.767 773 3HG1 VAL 102 HG13 VAL 102 -4.032 -12.377 -1.588 774 1HG2 VAL 102 HG21 VAL 102 -6.108 -10.062 -2.815 775 2HG2 VAL 102 HG22 VAL 102 -5.664 -11.768 -2.760 776 3HG2 VAL 102 HG23 VAL 102 -5.255 -10.797 -4.173 777 H ILE 103 HN ILE 103 -2.792 -10.392 0.553 778 HA ILE 103 HA ILE 103 -5.157 -11.360 2.000 779 HB ILE 103 HB ILE 103 -2.671 -12.562 1.534 780 1HG1 ILE 103 HG12 ILE 103 -4.829 -13.692 1.629 781 2HG1 ILE 103 HG11 ILE 103 -3.686 -14.456 2.727 782 1HG2 ILE 103 HG21 ILE 103 -1.684 -11.465 3.430 783 2HG2 ILE 103 HG22 ILE 103 -1.953 -13.160 3.835 784 3HG2 ILE 103 HG23 ILE 103 -3.044 -11.920 4.455 785 1HD1 ILE 103 HD11 ILE 103 -6.157 -13.961 3.447 786 2HD1 ILE 103 HD12 ILE 103 -5.500 -12.363 3.803 787 3HD1 ILE 103 HD13 ILE 103 -4.823 -13.790 4.588 788 H LYS 104 HN LYS 104 -2.474 -9.136 2.310 789 HA LYS 104 HA LYS 104 -3.088 -8.591 5.098 790 1HB LYS 104 HB2 LYS 104 -1.089 -7.316 3.226 791 2HB LYS 104 HB1 LYS 104 -1.339 -6.804 4.890 792 1HG LYS 104 HG2 LYS 104 -0.042 -9.254 3.836 793 2HG LYS 104 HG1 LYS 104 0.418 -8.219 5.189 794 1HD LYS 104 HD2 LYS 104 -1.374 -9.147 6.543 795 2HD LYS 104 HD1 LYS 104 -1.929 -10.123 5.176 796 1HE LYS 104 HE2 LYS 104 0.393 -11.151 5.183 797 2HE LYS 104 HE1 LYS 104 0.625 -10.382 6.748 798 1HZ LYS 104 HZ1 LYS 104 -0.479 -12.026 7.707 799 2HZ LYS 104 HZ2 LYS 104 -0.621 -12.807 6.214 800 3HZ LYS 104 HZ3 LYS 104 -1.835 -11.750 6.733 801 H SER 105 HN SER 105 -3.398 -6.911 1.969 802 HA SER 105 HA SER 105 -4.830 -4.745 3.290 803 1HB SER 105 HB2 SER 105 -3.366 -4.969 0.869 804 2HB SER 105 HB1 SER 105 -5.047 -4.667 0.435 805 HG SER 105 HG SER 105 -5.010 -2.832 1.745 806 H ASN 106 HN ASN 106 -5.324 -7.326 1.048 807 HA ASN 106 HA ASN 106 -7.034 -8.657 0.580 808 1HB ASN 106 HB2 ASN 106 -8.521 -7.143 2.734 809 2HB ASN 106 HB1 ASN 106 -9.138 -8.572 1.913 810 1HD2 ASN 106 HD21 ASN 106 -6.193 -7.528 3.574 811 2HD2 ASN 106 HD22 ASN 106 -6.006 -8.964 4.505 812 H LEU 107 HN LEU 107 -7.920 -5.329 1.122 813 HA LEU 107 HA LEU 107 -9.939 -5.247 -0.905 814 1HB LEU 107 HB2 LEU 107 -10.447 -3.259 -0.023 815 2HB LEU 107 HB1 LEU 107 -9.303 -3.660 1.237 816 HG LEU 107 HG LEU 107 -8.084 -2.394 -1.094 817 1HD1 LEU 107 HD11 LEU 107 -8.933 -0.126 -0.306 818 2HD1 LEU 107 HD12 LEU 107 -10.242 -1.023 0.461 819 3HD1 LEU 107 HD13 LEU 107 -10.023 -1.104 -1.287 820 1HD2 LEU 107 HD21 LEU 107 -7.974 -1.312 1.661 821 2HD2 LEU 107 HD22 LEU 107 -6.689 -1.493 0.464 822 3HD2 LEU 107 HD23 LEU 107 -7.260 -2.897 1.366 823 H LYS 108 HN LYS 108 -9.645 -3.540 -2.694 824 HA LYS 108 HA LYS 108 -7.932 -4.474 -4.551 825 1HB LYS 108 HB2 LYS 108 -9.194 -2.928 -5.595 826 2HB LYS 108 HB1 LYS 108 -9.313 -1.916 -4.163 827 1HG LYS 108 HG2 LYS 108 -7.758 -0.529 -4.953 828 2HG LYS 108 HG1 LYS 108 -6.638 -1.864 -5.177 829 1HD LYS 108 HD2 LYS 108 -8.005 -2.431 -7.245 830 2HD LYS 108 HD1 LYS 108 -8.614 -0.778 -7.127 831 1HE LYS 108 HE2 LYS 108 -6.121 -0.122 -6.985 832 2HE LYS 108 HE1 LYS 108 -5.815 -1.741 -7.609 833 1HZ LYS 108 HZ1 LYS 108 -7.793 -0.607 -9.201 834 2HZ LYS 108 HZ2 LYS 108 -6.195 -0.959 -9.630 835 3HZ LYS 108 HZ3 LYS 108 -6.589 0.569 -9.021 836 H ASN 109 HN ASN 109 -5.868 -4.530 -4.851 837 HA ASN 109 HA ASN 109 -3.934 -3.997 -3.060 838 1HB ASN 109 HB2 ASN 109 -3.580 -3.651 -6.041 839 2HB ASN 109 HB1 ASN 109 -2.380 -4.167 -4.868 840 1HD2 ASN 109 HD21 ASN 109 -4.666 -5.638 -3.524 841 2HD2 ASN 109 HD22 ASN 109 -4.744 -7.109 -4.398 842 HA PRO 110 HA PRO 110 -4.560 0.498 -2.694 843 1HB PRO 110 HB2 PRO 110 -2.241 -0.013 -0.892 844 2HB PRO 110 HB1 PRO 110 -3.681 0.975 -0.611 845 1HG PRO 110 HG2 PRO 110 -3.421 -1.453 0.485 846 2HG PRO 110 HG1 PRO 110 -4.990 -0.865 -0.092 847 1HD PRO 110 HD2 PRO 110 -3.177 -2.896 -1.272 848 2HD PRO 110 HD1 PRO 110 -4.943 -2.765 -1.367 849 H GLN 111 HN GLN 111 -3.291 2.275 -3.202 850 HA GLN 111 HA GLN 111 -0.929 1.586 -4.825 851 1HB GLN 111 HB2 GLN 111 -1.944 4.308 -5.145 852 2HB GLN 111 HB1 GLN 111 -1.617 3.087 -6.365 853 1HG GLN 111 HG2 GLN 111 -4.051 2.712 -4.716 854 2HG GLN 111 HG1 GLN 111 -4.062 4.037 -5.878 855 1HE2 GLN 111 HE21 GLN 111 -2.980 0.660 -5.748 856 2HE2 GLN 111 HE22 GLN 111 -3.659 0.202 -7.271 857 H VAL 112 HN VAL 112 1.023 2.196 -4.115 858 HA VAL 112 HA VAL 112 1.213 3.669 -1.662 859 HB VAL 112 HB VAL 112 3.581 2.895 -3.319 860 1HG1 VAL 112 HG11 VAL 112 4.754 2.967 -1.335 861 2HG1 VAL 112 HG12 VAL 112 3.315 2.687 -0.354 862 3HG1 VAL 112 HG13 VAL 112 3.583 4.263 -1.098 863 1HG2 VAL 112 HG21 VAL 112 2.398 1.019 -1.324 864 2HG2 VAL 112 HG22 VAL 112 3.479 0.686 -2.677 865 3HG2 VAL 112 HG23 VAL 112 1.776 1.037 -2.974 866 H TYR 113 HN TYR 113 2.172 5.690 -1.317 867 HA TYR 113 HA TYR 113 2.820 7.321 -3.695 868 1HB TYR 113 HB2 TYR 113 1.121 8.291 -1.389 869 2HB TYR 113 HB1 TYR 113 1.464 9.133 -2.894 870 HD1 TYR 113 HD1 TYR 113 -0.770 6.926 -1.193 871 HD2 TYR 113 HD2 TYR 113 0.553 8.102 -5.060 872 HE1 TYR 113 HE1 TYR 113 -2.810 5.955 -2.166 873 HE2 TYR 113 HE2 TYR 113 -1.483 7.144 -6.052 874 HH TYR 113 HH TYR 113 -3.800 5.333 -4.112 875 H ARG 114 HN ARG 114 4.898 8.095 -3.401 876 HA ARG 114 HA ARG 114 5.696 8.699 -0.634 877 1HB ARG 114 HB2 ARG 114 7.663 8.351 -2.856 878 2HB ARG 114 HB1 ARG 114 7.938 8.247 -1.134 879 1HG ARG 114 HG2 ARG 114 7.282 6.082 -1.028 880 2HG ARG 114 HG1 ARG 114 6.160 6.234 -2.381 881 1HD ARG 114 HD2 ARG 114 7.833 4.979 -3.335 882 2HD ARG 114 HD1 ARG 114 8.359 6.608 -3.755 883 HE ARG 114 HE ARG 114 9.942 6.465 -1.908 884 1HH1 ARG 114 HH11 ARG 114 8.490 3.493 -3.002 885 2HH1 ARG 114 HH12 ARG 114 9.763 2.493 -2.385 886 1HH2 ARG 114 HH21 ARG 114 11.621 5.157 -1.091 887 2HH2 ARG 114 HH22 ARG 114 11.543 3.439 -1.297 888 H LEU 115 HN LEU 115 5.749 10.750 -0.214 889 HA LEU 115 HA LEU 115 6.873 12.607 -2.196 890 1HB LEU 115 HB2 LEU 115 4.670 13.729 -0.595 891 2HB LEU 115 HB1 LEU 115 5.113 14.015 -2.263 892 HG LEU 115 HG LEU 115 4.089 11.706 -2.742 893 1HD1 LEU 115 HD11 LEU 115 3.487 12.050 0.106 894 2HD1 LEU 115 HD12 LEU 115 3.509 10.589 -0.883 895 3HD1 LEU 115 HD13 LEU 115 2.088 11.633 -0.884 896 1HD2 LEU 115 HD21 LEU 115 2.329 13.992 -1.861 897 2HD2 LEU 115 HD22 LEU 115 1.870 12.690 -2.957 898 3HD2 LEU 115 HD23 LEU 115 3.116 13.844 -3.432 899 H GLY 116 HN GLY 116 8.599 13.432 -1.198 900 1HA GLY 116 HA2 GLY 116 8.637 15.104 0.918 901 2HA GLY 116 HA1 GLY 116 8.734 13.522 1.683 902 H GLU 117 HN GLU 117 10.677 15.790 1.384 903 HA GLU 117 HA GLU 117 12.749 14.362 -0.082 904 1HB GLU 117 HB2 GLU 117 13.947 16.711 0.440 905 2HB GLU 117 HB1 GLU 117 12.919 16.446 -0.961 906 1HG GLU 117 HG2 GLU 117 11.104 17.552 0.021 907 2HG GLU 117 HG1 GLU 117 11.829 17.489 1.628 908 H VAL 118 HN VAL 118 13.788 13.023 1.142 909 HA VAL 118 HA VAL 118 15.644 12.584 2.522 910 HB VAL 118 HB VAL 118 14.524 14.697 4.370 911 1HG1 VAL 118 HG11 VAL 118 15.758 12.500 5.259 912 2HG1 VAL 118 HG12 VAL 118 15.969 14.083 6.005 913 3HG1 VAL 118 HG13 VAL 118 17.172 13.476 4.867 914 1HG2 VAL 118 HG21 VAL 118 16.201 14.924 2.148 915 2HG2 VAL 118 HG22 VAL 118 17.275 15.005 3.544 916 3HG2 VAL 118 HG23 VAL 118 15.930 16.135 3.401 917 H GLU 119 HN GLU 119 12.518 13.263 4.031 918 HA GLU 119 HA GLU 119 12.275 10.452 4.753 919 1HB GLU 119 HB2 GLU 119 11.386 12.379 6.789 920 2HB GLU 119 HB1 GLU 119 12.055 10.768 6.959 921 1HG GLU 119 HG2 GLU 119 14.298 11.702 6.464 922 2HG GLU 119 HG1 GLU 119 13.573 13.305 6.440 923 H LEU 120 HN LEU 120 10.920 10.723 2.897 924 HA LEU 120 HA LEU 120 8.648 12.395 2.950 925 1HB LEU 120 HB2 LEU 120 7.962 11.157 0.985 926 2HB LEU 120 HB1 LEU 120 9.662 11.582 0.890 927 HG LEU 120 HG LEU 120 10.048 9.188 1.850 928 1HD1 LEU 120 HD11 LEU 120 8.256 7.661 0.801 929 2HD1 LEU 120 HD12 LEU 120 7.215 9.083 0.860 930 3HD1 LEU 120 HD13 LEU 120 7.900 8.429 2.349 931 1HD2 LEU 120 HD21 LEU 120 9.170 9.726 -0.985 932 2HD2 LEU 120 HD22 LEU 120 10.079 8.311 -0.457 933 3HD2 LEU 120 HD23 LEU 120 10.794 9.920 -0.330 934 H ASP 121 HN ASP 121 6.500 11.413 2.573 935 HA ASP 121 HA ASP 121 5.927 9.370 4.605 936 1HB ASP 121 HB2 ASP 121 3.927 11.402 3.630 937 2HB ASP 121 HB1 ASP 121 3.887 10.448 5.110 938 H VAL 122 HN VAL 122 5.092 7.526 3.863 939 HA VAL 122 HA VAL 122 4.256 7.433 1.066 940 HB VAL 122 HB VAL 122 5.461 5.474 2.908 941 1HG1 VAL 122 HG11 VAL 122 3.866 4.308 0.687 942 2HG1 VAL 122 HG12 VAL 122 3.068 4.638 2.219 943 3HG1 VAL 122 HG13 VAL 122 4.456 3.552 2.163 944 1HG2 VAL 122 HG21 VAL 122 6.837 6.275 1.212 945 2HG2 VAL 122 HG22 VAL 122 5.574 6.110 -0.008 946 3HG2 VAL 122 HG23 VAL 122 6.345 4.672 0.663 947 H TYR 123 HN TYR 123 2.280 6.913 0.411 948 HA TYR 123 HA TYR 123 0.292 6.177 2.449 949 1HB TYR 123 HB2 TYR 123 -0.123 7.979 0.056 950 2HB TYR 123 HB1 TYR 123 -1.383 7.443 1.167 951 HD1 TYR 123 HD1 TYR 123 -1.921 8.804 2.982 952 HD2 TYR 123 HD2 TYR 123 1.880 9.268 1.133 953 HE1 TYR 123 HE1 TYR 123 -1.471 10.752 4.414 954 HE2 TYR 123 HE2 TYR 123 2.342 11.217 2.558 955 HH TYR 123 HH TYR 123 0.101 12.206 5.105 956 H VAL 124 HN VAL 124 -1.079 4.558 1.906 957 HA VAL 124 HA VAL 124 -1.023 3.567 -0.847 958 HB VAL 124 HB VAL 124 -1.147 1.459 1.218 959 1HG1 VAL 124 HG11 VAL 124 -0.777 0.234 -0.593 960 2HG1 VAL 124 HG12 VAL 124 0.786 1.017 -0.823 961 3HG1 VAL 124 HG13 VAL 124 -0.662 1.706 -1.557 962 1HG2 VAL 124 HG21 VAL 124 1.013 1.484 1.961 963 2HG2 VAL 124 HG22 VAL 124 0.746 3.220 1.804 964 3HG2 VAL 124 HG23 VAL 124 1.609 2.343 0.541 965 H ILE 125 HN ILE 125 -3.086 3.524 -1.545 966 HA ILE 125 HA ILE 125 -5.136 2.647 0.368 967 HB ILE 125 HB ILE 125 -5.918 4.926 -1.372 968 1HG1 ILE 125 HG12 ILE 125 -4.949 5.870 1.195 969 2HG1 ILE 125 HG11 ILE 125 -3.646 5.198 0.221 970 1HG2 ILE 125 HG21 ILE 125 -7.005 3.433 0.727 971 2HG2 ILE 125 HG22 ILE 125 -7.697 4.861 -0.043 972 3HG2 ILE 125 HG23 ILE 125 -6.691 5.035 1.395 973 1HD1 ILE 125 HD11 ILE 125 -3.673 6.910 -1.196 974 2HD1 ILE 125 HD12 ILE 125 -4.563 7.744 0.075 975 3HD1 ILE 125 HD13 ILE 125 -5.433 6.968 -1.249 976 H GLY 126 HN GLY 126 -6.475 1.292 -0.449 977 1HA GLY 126 HA2 GLY 126 -6.505 0.798 -3.324 978 2HA GLY 126 HA1 GLY 126 -7.005 -0.328 -2.062 979 H GLU 127 HN GLU 127 -8.926 -0.509 -3.461 980 HA GLU 127 HA GLU 127 -10.885 1.381 -2.490 981 1HB GLU 127 HB2 GLU 127 -11.822 1.924 -4.614 982 2HB GLU 127 HB1 GLU 127 -10.095 2.260 -4.676 983 1HG GLU 127 HG2 GLU 127 -9.719 0.709 -6.259 984 2HG GLU 127 HG1 GLU 127 -10.889 -0.416 -5.565 985 H THR 128 HN THR 128 -11.866 -0.112 -1.313 986 HA THR 128 HA THR 128 -13.948 -1.478 -2.571 987 HB THR 128 HB THR 128 -12.813 -3.672 -1.171 988 HG1 THR 128 HG1 THR 128 -10.802 -2.547 -1.723 989 1HG2 THR 128 HG21 THR 128 -13.628 -3.049 -3.981 990 2HG2 THR 128 HG22 THR 128 -14.340 -4.182 -2.833 991 3HG2 THR 128 HG23 THR 128 -12.813 -4.572 -3.622 992 HA PRO 129 HA PRO 129 -14.271 -1.117 2.158 993 1HB PRO 129 HB2 PRO 129 -14.595 1.749 2.223 994 2HB PRO 129 HB1 PRO 129 -13.356 0.786 3.013 995 1HG PRO 129 HG2 PRO 129 -12.822 2.543 1.015 996 2HG PRO 129 HG1 PRO 129 -11.833 1.110 1.344 997 1HD PRO 129 HD2 PRO 129 -13.975 1.498 -0.710 998 2HD PRO 129 HD1 PRO 129 -12.384 0.741 -0.868 999 H ALA 130 HN ALA 130 -15.365 1.313 -0.021 1000 HA ALA 130 HA ALA 130 -18.153 0.465 0.182 1001 1HB ALA 130 HB1 ALA 130 -18.910 2.583 0.492 1002 2HB ALA 130 HB2 ALA 130 -17.667 3.281 -0.546 1003 3HB ALA 130 HB3 ALA 130 -17.291 2.874 1.129 1004 H GLY 131 HN GLY 131 -15.332 0.749 -1.431 1005 1HA GLY 131 HA2 GLY 131 -15.345 -0.250 -3.720 1006 2HA GLY 131 HA1 GLY 131 -16.520 1.002 -4.114 1007 H ASN 132 HN ASN 132 -14.276 1.984 -1.823 1008 HA ASN 132 HA ASN 132 -11.933 2.746 -2.949 1009 1HB ASN 132 HB2 ASN 132 -12.703 3.862 -4.790 1010 2HB ASN 132 HB1 ASN 132 -14.180 4.381 -4.012 1011 1HD2 ASN 132 HD21 ASN 132 -10.927 4.649 -2.828 1012 2HD2 ASN 132 HD22 ASN 132 -10.862 6.363 -2.812 1013 H LEU 133 HN LEU 133 -11.057 3.103 -0.948 1014 HA LEU 133 HA LEU 133 -10.962 5.367 0.394 1015 1HB LEU 133 HB2 LEU 133 -13.629 4.328 0.730 1016 2HB LEU 133 HB1 LEU 133 -12.784 4.444 2.265 1017 HG LEU 133 HG LEU 133 -12.397 6.865 1.778 1018 1HD1 LEU 133 HD11 LEU 133 -13.793 7.993 0.199 1019 2HD1 LEU 133 HD12 LEU 133 -14.570 6.479 -0.262 1020 3HD1 LEU 133 HD13 LEU 133 -12.876 6.758 -0.663 1021 1HD2 LEU 133 HD21 LEU 133 -15.253 6.817 1.877 1022 2HD2 LEU 133 HD22 LEU 133 -14.099 7.128 3.173 1023 3HD2 LEU 133 HD23 LEU 133 -14.595 5.472 2.810 1024 H ALA 134 HN ALA 134 -9.311 2.999 0.344 1025 HA ALA 134 HA ALA 134 -8.593 2.913 3.075 1026 1HB ALA 134 HB1 ALA 134 -9.235 0.608 3.662 1027 2HB ALA 134 HB2 ALA 134 -10.175 0.524 2.173 1028 3HB ALA 134 HB3 ALA 134 -10.614 1.681 3.430 1029 H GLY 135 HN GLY 135 -6.599 2.134 3.407 1030 1HA GLY 135 HA2 GLY 135 -5.445 0.009 1.855 1031 2HA GLY 135 HA1 GLY 135 -4.801 1.579 1.404 1032 H ILE 136 HN ILE 136 -2.728 1.408 2.219 1033 HA ILE 136 HA ILE 136 -2.473 1.311 5.148 1034 HB ILE 136 HB ILE 136 -0.123 0.168 4.101 1035 1HG1 ILE 136 HG12 ILE 136 -1.791 -1.970 3.375 1036 2HG1 ILE 136 HG11 ILE 136 -2.438 -0.569 2.535 1037 1HG2 ILE 136 HG21 ILE 136 -1.105 -1.867 5.380 1038 2HG2 ILE 136 HG22 ILE 136 -2.374 -0.731 5.833 1039 3HG2 ILE 136 HG23 ILE 136 -0.696 -0.392 6.254 1040 1HD1 ILE 136 HD11 ILE 136 -0.791 -0.602 1.062 1041 2HD1 ILE 136 HD12 ILE 136 -0.323 -2.160 1.740 1042 3HD1 ILE 136 HD13 ILE 136 0.433 -0.681 2.329 1043 H SER 137 HN SER 137 0.199 1.730 5.481 1044 HA SER 137 HA SER 137 1.341 3.560 3.610 1045 1HB SER 137 HB2 SER 137 1.174 5.632 4.966 1046 2HB SER 137 HB1 SER 137 -0.376 5.078 4.344 1047 HG SER 137 HG SER 137 0.609 5.041 6.970 1048 H THR 138 HN THR 138 3.410 4.376 4.173 1049 HA THR 138 HA THR 138 4.471 3.653 6.798 1050 HB THR 138 HB THR 138 4.815 1.616 5.432 1051 HG1 THR 138 HG1 THR 138 6.364 2.408 7.082 1052 1HG2 THR 138 HG21 THR 138 6.590 3.389 3.751 1053 2HG2 THR 138 HG22 THR 138 5.048 2.700 3.243 1054 3HG2 THR 138 HG23 THR 138 6.414 1.640 3.596 1055 H LYS 139 HN LYS 139 6.769 4.438 7.082 1056 HA LYS 139 HA LYS 139 7.046 7.060 5.775 1057 1HB LYS 139 HB2 LYS 139 7.192 7.433 8.051 1058 2HB LYS 139 HB1 LYS 139 7.901 5.866 8.375 1059 1HG LYS 139 HG2 LYS 139 9.446 7.635 8.921 1060 2HG LYS 139 HG1 LYS 139 10.064 6.685 7.577 1061 1HD LYS 139 HD2 LYS 139 10.343 8.572 6.464 1062 2HD LYS 139 HD1 LYS 139 8.585 8.741 6.408 1063 1HE LYS 139 HE2 LYS 139 9.813 10.726 7.266 1064 2HE LYS 139 HE1 LYS 139 8.583 10.090 8.359 1065 1HZ LYS 139 HZ1 LYS 139 11.523 9.735 8.564 1066 2HZ LYS 139 HZ2 LYS 139 10.415 8.888 9.520 1067 3HZ LYS 139 HZ3 LYS 139 10.515 10.573 9.633 1068 H VAL 140 HN VAL 140 9.341 7.707 5.073 1069 HA VAL 140 HA VAL 140 11.189 5.583 4.503 1070 HB VAL 140 HB VAL 140 10.377 7.024 2.083 1071 1HG1 VAL 140 HG11 VAL 140 12.255 5.548 1.964 1072 2HG1 VAL 140 HG12 VAL 140 10.935 4.825 1.045 1073 3HG1 VAL 140 HG13 VAL 140 11.322 4.222 2.656 1074 1HG2 VAL 140 HG21 VAL 140 8.538 5.663 1.514 1075 2HG2 VAL 140 HG22 VAL 140 8.232 6.197 3.168 1076 3HG2 VAL 140 HG23 VAL 140 8.831 4.566 2.864 1077 H VAL 141 HN VAL 141 13.232 6.303 4.470 1078 HA VAL 141 HA VAL 141 13.749 9.149 4.407 1079 HB VAL 141 HB VAL 141 15.222 7.728 5.749 1080 1HG1 VAL 141 HG11 VAL 141 16.133 6.479 3.159 1081 2HG1 VAL 141 HG12 VAL 141 15.079 5.698 4.335 1082 3HG1 VAL 141 HG13 VAL 141 16.735 6.115 4.774 1083 1HG2 VAL 141 HG21 VAL 141 17.371 8.356 4.082 1084 2HG2 VAL 141 HG22 VAL 141 16.698 9.342 5.381 1085 3HG2 VAL 141 HG23 VAL 141 16.128 9.557 3.727 1086 H GLU 142 HN GLU 142 13.046 9.860 2.373 1087 HA GLU 142 HA GLU 142 14.892 9.289 0.224 1088 1HB GLU 142 HB2 GLU 142 12.064 8.389 0.205 1089 2HB GLU 142 HB1 GLU 142 12.768 8.972 -1.298 1090 1HG GLU 142 HG2 GLU 142 13.613 6.637 0.381 1091 2HG GLU 142 HG1 GLU 142 13.080 6.655 -1.298 1092 H THR 143 HN THR 143 14.888 10.845 -1.425 1093 HA THR 143 HA THR 143 13.132 13.164 -1.029 1094 HB THR 143 HB THR 143 14.814 14.384 -0.215 1095 HG1 THR 143 HG1 THR 143 16.473 14.104 -2.434 1096 1HG2 THR 143 HG21 THR 143 17.229 13.553 -0.308 1097 2HG2 THR 143 HG22 THR 143 16.572 12.077 -1.015 1098 3HG2 THR 143 HG23 THR 143 16.080 12.573 0.604
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