NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
11356 | 1rfa | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H SER 55 HT2 SER 55 -13.696 7.361 3.370 2 2H SER 55 HT1 SER 55 -12.032 7.516 3.543 3 3H SER 55 HT3 SER 55 -12.939 8.824 2.930 4 HA SER 55 HA SER 55 -13.408 7.704 0.942 5 1HB SER 55 HB1 SER 55 -11.018 8.702 1.342 6 2HB SER 55 HB2 SER 55 -10.483 6.986 1.494 7 HG SER 55 HG1 SER 55 -10.395 7.935 -0.642 8 H ASN 56 HN ASN 56 -12.196 5.715 -0.378 9 HA ASN 56 HA ASN 56 -12.178 3.285 1.225 10 1HB ASN 56 HB1 ASN 56 -14.616 3.686 0.653 11 2HB ASN 56 HB2 ASN 56 -14.137 3.534 -1.106 12 1HD2 ASN 56 HD21 ASN 56 -13.774 0.204 1.334 13 2HD2 ASN 56 HD22 ASN 56 -13.669 1.782 2.041 14 H THR 57 HN THR 57 -10.594 5.260 -0.648 15 HA THR 57 HA THR 57 -9.591 3.138 -2.439 16 HB THR 57 HB THR 57 -9.400 4.630 -4.292 17 HG1 THR 57 HG1 THR 57 -10.565 6.769 -3.804 18 1HG2 THR 57 HG23 THR 57 -11.795 3.725 -3.879 19 2HG2 THR 57 HG21 THR 57 -12.171 5.299 -3.088 20 3HG2 THR 57 HG22 THR 57 -11.702 5.250 -4.838 21 H ILE 58 HN ILE 58 -7.323 3.367 -2.915 22 HA ILE 58 HA ILE 58 -5.986 5.612 -1.711 23 HB ILE 58 HB ILE 58 -4.561 3.095 -0.993 24 1HG1 ILE 58 HG11 ILE 58 -7.051 3.681 0.632 25 2HG1 ILE 58 HG12 ILE 58 -6.848 2.324 -0.512 26 1HG2 ILE 58 HG23 ILE 58 -5.139 5.694 0.521 27 2HG2 ILE 58 HG21 ILE 58 -4.207 4.328 1.171 28 3HG2 ILE 58 HG22 ILE 58 -3.610 5.191 -0.303 29 1HD1 ILE 58 HD1 ILE 58 -4.828 1.531 0.768 30 2HD1 ILE 58 HD2 ILE 58 -5.194 2.788 2.025 31 3HD1 ILE 58 HD3 ILE 58 -6.377 1.488 1.696 32 H ARG 59 HN ARG 59 -3.530 5.565 -2.480 33 HA ARG 59 HA ARG 59 -3.590 4.275 -5.117 34 1HB ARG 59 HB1 ARG 59 -2.161 6.661 -3.902 35 2HB ARG 59 HB2 ARG 59 -1.600 5.881 -5.405 36 1HG ARG 59 HG1 ARG 59 -2.891 7.589 -6.180 37 2HG ARG 59 HG2 ARG 59 -3.930 6.175 -6.396 38 1HD ARG 59 HD1 ARG 59 -5.509 7.599 -5.470 39 2HD ARG 59 HD2 ARG 59 -4.794 7.030 -3.907 40 HE ARG 59 HE ARG 59 -3.752 9.502 -5.345 41 1HH1 ARG 59 HH22 ARG 59 -6.217 8.384 -3.247 42 2HH1 ARG 59 HH21 ARG 59 -6.502 9.969 -2.615 43 1HH2 ARG 59 HH12 ARG 59 -3.490 11.316 -3.797 44 2HH2 ARG 59 HH11 ARG 59 -5.000 11.674 -3.044 45 H VAL 60 HN VAL 60 -1.557 3.385 -5.862 46 HA VAL 60 HA VAL 60 0.210 2.546 -3.647 47 HB VAL 60 HB VAL 60 -0.486 0.590 -5.842 48 1HG1 VAL 60 HG13 VAL 60 1.633 0.281 -4.538 49 2HG1 VAL 60 HG11 VAL 60 0.653 0.142 -3.038 50 3HG1 VAL 60 HG12 VAL 60 0.446 -1.073 -4.365 51 1HG2 VAL 60 HG23 VAL 60 -1.887 0.740 -3.122 52 2HG2 VAL 60 HG21 VAL 60 -2.637 0.982 -4.749 53 3HG2 VAL 60 HG22 VAL 60 -1.969 -0.631 -4.299 54 H PHE 61 HN PHE 61 2.105 3.449 -4.154 55 HA PHE 61 HA PHE 61 2.745 3.798 -6.998 56 1HB PHE 61 HB1 PHE 61 3.698 5.024 -4.403 57 2HB PHE 61 HB2 PHE 61 4.800 5.036 -5.892 58 HD1 PHE 61 HD2 PHE 61 1.220 5.666 -4.786 59 HD2 PHE 61 HD1 PHE 61 4.471 6.903 -7.281 60 HE1 PHE 61 HE2 PHE 61 -0.031 7.654 -5.439 61 HE2 PHE 61 HE1 PHE 61 3.234 8.941 -7.844 62 HZ PHE 61 HZ PHE 61 1.005 9.348 -6.880 63 H LEU 62 HN LEU 62 4.655 2.823 -7.946 64 HA LEU 62 HA LEU 62 5.162 0.345 -6.452 65 1HB LEU 62 HB1 LEU 62 5.683 1.174 -9.321 66 2HB LEU 62 HB2 LEU 62 6.359 -0.314 -8.628 67 HG LEU 62 HG LEU 62 4.136 -0.541 -9.922 68 1HD1 LEU 62 HD13 LEU 62 5.216 -2.367 -8.675 69 2HD1 LEU 62 HD11 LEU 62 4.400 -1.815 -7.156 70 3HD1 LEU 62 HD12 LEU 62 3.418 -2.410 -8.548 71 1HD2 LEU 62 HD23 LEU 62 2.902 1.288 -8.736 72 2HD2 LEU 62 HD21 LEU 62 2.088 -0.334 -8.646 73 3HD2 LEU 62 HD22 LEU 62 2.970 0.300 -7.220 74 HA PRO 63 HA PRO 63 9.209 1.593 -5.671 75 1HB PRO 63 HB1 PRO 63 10.184 -1.091 -6.523 76 2HB PRO 63 HB2 PRO 63 10.456 -0.248 -5.018 77 1HG PRO 63 HG1 PRO 63 8.695 -2.362 -5.394 78 2HG PRO 63 HG2 PRO 63 8.523 -1.238 -4.115 79 1HD PRO 63 HD1 PRO 63 6.699 -1.509 -6.304 80 2HD PRO 63 HD2 PRO 63 6.615 -0.364 -5.046 81 H ASN 64 HN ASN 64 8.271 0.041 -8.746 82 HA ASN 64 HA ASN 64 10.606 1.165 -10.058 83 1HB ASN 64 HB1 ASN 64 9.522 0.423 -12.194 84 2HB ASN 64 HB2 ASN 64 10.007 -0.871 -11.051 85 1HD2 ASN 64 HD21 ASN 64 6.054 -0.444 -11.958 86 2HD2 ASN 64 HD22 ASN 64 7.267 0.584 -12.650 87 H LYS 65 HN LYS 65 8.629 2.822 -8.478 88 HA LYS 65 HA LYS 65 8.118 4.918 -8.591 89 1HB LYS 65 HB1 LYS 65 8.930 5.143 -11.522 90 2HB LYS 65 HB2 LYS 65 8.959 6.410 -10.270 91 1HG LYS 65 HG1 LYS 65 10.766 3.915 -10.490 92 2HG LYS 65 HG2 LYS 65 11.243 5.582 -10.855 93 1HD LYS 65 HD1 LYS 65 10.515 4.351 -8.107 94 2HD LYS 65 HD2 LYS 65 12.112 4.889 -8.636 95 1HE LYS 65 HE1 LYS 65 9.669 6.746 -8.225 96 2HE LYS 65 HE2 LYS 65 11.021 6.511 -7.058 97 1HZ LYS 65 HZ2 LYS 65 11.292 7.509 -9.838 98 2HZ LYS 65 HZ3 LYS 65 11.335 8.447 -8.421 99 3HZ LYS 65 HZ1 LYS 65 12.549 7.296 -8.720 100 H GLN 66 HN GLN 66 6.600 2.631 -10.302 101 HA GLN 66 HA GLN 66 4.787 4.204 -11.611 102 1HB GLN 66 HB1 GLN 66 4.976 1.320 -11.182 103 2HB GLN 66 HB2 GLN 66 3.370 1.786 -11.170 104 1HG GLN 66 HG1 GLN 66 5.169 2.943 -13.364 105 2HG GLN 66 HG2 GLN 66 4.804 1.210 -13.427 106 1HE2 GLN 66 HE21 GLN 66 1.526 1.812 -14.704 107 2HE2 GLN 66 HE22 GLN 66 2.865 0.737 -14.500 108 H ARG 67 HN ARG 67 2.256 3.523 -11.221 109 HA ARG 67 HA ARG 67 1.535 3.983 -8.442 110 1HB ARG 67 HB1 ARG 67 0.255 6.040 -8.984 111 2HB ARG 67 HB2 ARG 67 2.007 6.249 -8.888 112 1HG ARG 67 HG1 ARG 67 1.005 5.595 -11.648 113 2HG ARG 67 HG2 ARG 67 0.295 7.052 -10.976 114 1HD ARG 67 HD1 ARG 67 2.735 7.808 -10.353 115 2HD ARG 67 HD2 ARG 67 3.282 6.496 -11.462 116 HE ARG 67 HE ARG 67 1.490 8.870 -12.198 117 1HH1 ARG 67 HH22 ARG 67 2.431 5.696 -13.197 118 2HH1 ARG 67 HH21 ARG 67 2.139 6.029 -14.863 119 1HH2 ARG 67 HH12 ARG 67 1.565 9.461 -14.435 120 2HH2 ARG 67 HH11 ARG 67 1.541 8.143 -15.552 121 H THR 68 HN THR 68 -0.823 4.037 -8.216 122 HA THR 68 HA THR 68 -2.531 3.617 -10.358 123 HB THR 68 HB THR 68 -1.431 1.370 -10.622 124 HG1 THR 68 HG1 THR 68 -3.468 0.220 -10.196 125 1HG2 THR 68 HG23 THR 68 -0.806 1.008 -8.193 126 2HG2 THR 68 HG21 THR 68 -2.561 0.731 -7.836 127 3HG2 THR 68 HG22 THR 68 -1.672 -0.375 -8.953 128 H VAL 69 HN VAL 69 -4.747 2.683 -9.372 129 HA VAL 69 HA VAL 69 -4.855 3.624 -6.563 130 HB VAL 69 HB VAL 69 -5.946 5.339 -7.706 131 1HG1 VAL 69 HG13 VAL 69 -6.249 4.324 -9.943 132 2HG1 VAL 69 HG11 VAL 69 -7.523 3.220 -9.276 133 3HG1 VAL 69 HG12 VAL 69 -7.795 5.003 -9.321 134 1HG2 VAL 69 HG22 VAL 69 -7.039 4.551 -5.674 135 2HG2 VAL 69 HG23 VAL 69 -8.134 5.352 -6.860 136 3HG2 VAL 69 HG21 VAL 69 -8.167 3.563 -6.702 137 H VAL 70 HN VAL 70 -6.087 2.376 -5.197 138 HA VAL 70 HA VAL 70 -7.336 -0.018 -6.403 139 HB VAL 70 HB VAL 70 -6.511 -1.384 -4.528 140 1HG1 VAL 70 HG12 VAL 70 -5.269 -1.454 -6.668 141 2HG1 VAL 70 HG13 VAL 70 -4.227 -0.096 -6.108 142 3HG1 VAL 70 HG11 VAL 70 -4.191 -1.687 -5.235 143 1HG2 VAL 70 HG22 VAL 70 -4.760 1.027 -3.807 144 2HG2 VAL 70 HG23 VAL 70 -6.095 0.312 -2.813 145 3HG2 VAL 70 HG21 VAL 70 -4.609 -0.647 -3.140 146 H ASN 71 HN ASN 71 -8.926 -1.005 -4.892 147 HA ASN 71 HA ASN 71 -10.125 1.113 -3.191 148 1HB ASN 71 HB1 ASN 71 -11.512 -1.181 -4.677 149 2HB ASN 71 HB2 ASN 71 -12.300 -0.036 -3.513 150 1HD2 ASN 71 HD21 ASN 71 -12.823 1.250 -7.020 151 2HD2 ASN 71 HD22 ASN 71 -13.196 -0.227 -6.196 152 H VAL 72 HN VAL 72 -10.874 0.424 -1.128 153 HA VAL 72 HA VAL 72 -9.607 -2.116 -0.288 154 HB VAL 72 HB VAL 72 -10.538 0.269 1.333 155 1HG1 VAL 72 HG13 VAL 72 -9.138 -2.311 2.248 156 2HG1 VAL 72 HG11 VAL 72 -9.477 -0.862 3.258 157 3HG1 VAL 72 HG12 VAL 72 -10.856 -1.815 2.633 158 1HG2 VAL 72 HG23 VAL 72 -7.732 -0.851 0.704 159 2HG2 VAL 72 HG21 VAL 72 -8.399 0.735 0.183 160 3HG2 VAL 72 HG22 VAL 72 -8.088 0.397 1.946 161 H ARG 73 HN ARG 73 -10.866 -3.792 0.451 162 HA ARG 73 HA ARG 73 -13.803 -3.332 0.306 163 1HB ARG 73 HB1 ARG 73 -11.957 -5.472 -0.789 164 2HB ARG 73 HB2 ARG 73 -13.502 -6.004 -0.198 165 1HG ARG 73 HG1 ARG 73 -13.797 -5.604 -2.549 166 2HG ARG 73 HG2 ARG 73 -14.708 -4.355 -1.704 167 1HD ARG 73 HD1 ARG 73 -11.804 -3.705 -2.440 168 2HD ARG 73 HD2 ARG 73 -12.938 -3.929 -3.815 169 HE ARG 73 HE ARG 73 -13.295 -1.901 -1.555 170 1HH1 ARG 73 HH22 ARG 73 -14.852 -3.578 -4.172 171 2HH1 ARG 73 HH21 ARG 73 -16.106 -2.391 -4.318 172 1HH2 ARG 73 HH12 ARG 73 -14.662 -0.126 -2.030 173 2HH2 ARG 73 HH11 ARG 73 -16.006 -0.438 -3.090 174 H ASN 74 HN ASN 74 -14.645 -5.742 1.423 175 HA ASN 74 HA ASN 74 -13.379 -5.705 4.036 176 1HB ASN 74 HB1 ASN 74 -15.931 -5.887 3.772 177 2HB ASN 74 HB2 ASN 74 -15.652 -7.541 3.086 178 1HD2 ASN 74 HD21 ASN 74 -16.180 -8.183 6.668 179 2HD2 ASN 74 HD22 ASN 74 -17.022 -7.993 5.166 180 H GLY 75 HN GLY 75 -12.238 -7.505 4.853 181 1HA GLY 75 HA2 GLY 75 -10.858 -9.273 4.669 182 2HA GLY 75 HA1 GLY 75 -11.653 -9.715 3.119 183 H MET 76 HN MET 76 -9.699 -6.939 4.386 184 HA MET 76 HA MET 76 -8.336 -6.908 1.781 185 1HB MET 76 HB1 MET 76 -7.647 -4.524 2.892 186 2HB MET 76 HB2 MET 76 -8.866 -4.769 1.788 187 1HG MET 76 HG1 MET 76 -10.097 -3.657 3.379 188 2HG MET 76 HG2 MET 76 -10.615 -5.303 3.586 189 1HE MET 76 HE2 MET 76 -10.991 -2.915 5.764 190 2HE MET 76 HE3 MET 76 -11.496 -4.599 6.110 191 3HE MET 76 HE1 MET 76 -10.510 -3.697 7.308 192 H SER 77 HN SER 77 -7.136 -5.534 4.844 193 HA SER 77 HA SER 77 -5.027 -5.607 5.663 194 1HB SER 77 HB1 SER 77 -4.569 -8.344 4.518 195 2HB SER 77 HB2 SER 77 -3.881 -7.656 5.860 196 HG SER 77 HG1 SER 77 -6.600 -8.473 5.587 197 H LEU 78 HN LEU 78 -3.153 -4.902 5.111 198 HA LEU 78 HA LEU 78 -2.574 -3.948 2.793 199 1HB LEU 78 HB1 LEU 78 -0.864 -4.837 5.071 200 2HB LEU 78 HB2 LEU 78 0.038 -4.615 3.562 201 HG LEU 78 HG LEU 78 0.031 -2.571 4.943 202 1HD1 LEU 78 HD23 LEU 78 -0.092 -2.810 2.181 203 2HD1 LEU 78 HD21 LEU 78 -1.624 -1.965 2.461 204 3HD1 LEU 78 HD22 LEU 78 -0.263 -1.110 3.077 205 1HD2 LEU 78 HD12 LEU 78 -2.853 -2.435 4.054 206 2HD2 LEU 78 HD13 LEU 78 -2.181 -2.436 5.671 207 3HD2 LEU 78 HD11 LEU 78 -1.846 -1.019 4.585 208 H HIS 79 HN HSP 79 -0.947 -6.978 3.721 209 HA HIS 79 HA HSP 79 0.102 -7.466 1.305 210 1HB HIS 79 HB1 HSP 79 -0.491 -9.171 3.704 211 2HB HIS 79 HB2 HSP 79 -0.625 -10.123 2.249 212 HD1 HIS 79 HD1 HSP 79 1.665 -8.772 0.572 213 HD2 HIS 79 HD2 HSP 79 2.088 -9.967 4.554 214 HE1 HIS 79 HE1 HSP 79 4.143 -8.927 1.128 215 HE2 HIS 79 HE2 HSP 79 4.319 -9.937 3.382 216 H ASP 80 HN ASP 80 -3.068 -8.847 2.439 217 HA ASP 80 HA ASP 80 -3.444 -10.116 -0.075 218 1HB ASP 80 HB1 ASP 80 -5.281 -9.563 2.301 219 2HB ASP 80 HB2 ASP 80 -5.889 -10.327 0.794 220 H CYS 81 HN CYS 81 -4.111 -6.923 1.252 221 HA CYS 81 HA CYS 81 -5.998 -6.282 -0.764 222 1HB CYS 81 HB1 CYS 81 -5.334 -5.248 1.703 223 2HB CYS 81 HB2 CYS 81 -4.441 -4.137 0.716 224 HG1 CYS 81 HG1 CYS 81 -6.376 -3.626 -1.079 225 H LEU 82 HN LEU 82 -2.504 -6.056 -0.487 226 HA LEU 82 HA LEU 82 -2.294 -4.417 -2.902 227 1HB LEU 82 HB1 LEU 82 -0.326 -5.801 -0.961 228 2HB LEU 82 HB2 LEU 82 0.260 -5.009 -2.340 229 HG LEU 82 HG LEU 82 -0.586 -4.100 0.264 230 1HD1 LEU 82 HD11 LEU 82 0.184 -2.354 -2.263 231 2HD1 LEU 82 HD12 LEU 82 0.276 -1.735 -0.573 232 3HD1 LEU 82 HD13 LEU 82 1.423 -3.009 -1.145 233 1HD2 LEU 82 HD22 LEU 82 -2.334 -2.845 -1.756 234 2HD2 LEU 82 HD23 LEU 82 -2.680 -3.645 -0.168 235 3HD2 LEU 82 HD21 LEU 82 -1.871 -2.059 -0.167 236 H MET 83 HN MET 83 -1.927 -7.657 -1.790 237 HA MET 83 HA MET 83 -0.728 -8.716 -4.056 238 1HB MET 83 HB1 MET 83 -1.284 -9.860 -1.777 239 2HB MET 83 HB2 MET 83 -2.983 -9.726 -2.117 240 1HG MET 83 HG1 MET 83 -3.235 -11.336 -3.553 241 2HG MET 83 HG2 MET 83 -1.596 -11.230 -4.209 242 1HE MET 83 HE2 MET 83 0.562 -12.343 -3.224 243 2HE MET 83 HE3 MET 83 0.427 -11.293 -1.774 244 3HE MET 83 HE1 MET 83 0.707 -13.053 -1.585 245 H LYS 84 HN LYS 84 -3.905 -7.486 -3.607 246 HA LYS 84 HA LYS 84 -4.927 -8.178 -6.174 247 1HB LYS 84 HB1 LYS 84 -5.041 -5.634 -4.416 248 2HB LYS 84 HB2 LYS 84 -5.751 -5.618 -6.069 249 1HG LYS 84 HG1 LYS 84 -7.534 -6.014 -4.649 250 2HG LYS 84 HG2 LYS 84 -7.141 -7.521 -5.529 251 1HD LYS 84 HD1 LYS 84 -6.260 -8.566 -3.546 252 2HD LYS 84 HD2 LYS 84 -6.012 -7.015 -2.744 253 1HE LYS 84 HE1 LYS 84 -8.435 -6.705 -2.368 254 2HE LYS 84 HE2 LYS 84 -8.816 -8.161 -3.378 255 1HZ LYS 84 HZ2 LYS 84 -6.927 -8.565 -1.217 256 2HZ LYS 84 HZ3 LYS 84 -8.543 -8.206 -0.753 257 3HZ LYS 84 HZ1 LYS 84 -8.202 -9.529 -1.762 258 H ALA 85 HN ALA 85 -3.515 -5.249 -5.144 259 HA ALA 85 HA ALA 85 -3.101 -4.017 -7.528 260 1HB ALA 85 HB3 ALA 85 -2.534 -3.097 -5.091 261 2HB ALA 85 HB1 ALA 85 -0.992 -4.060 -5.171 262 3HB ALA 85 HB2 ALA 85 -1.211 -2.689 -6.277 263 H LEU 86 HN LEU 86 -0.494 -5.850 -5.866 264 HA LEU 86 HA LEU 86 1.403 -5.332 -7.985 265 1HB LEU 86 HB1 LEU 86 1.247 -7.464 -5.769 266 2HB LEU 86 HB2 LEU 86 2.647 -7.122 -6.571 267 HG LEU 86 HG LEU 86 0.976 -4.914 -5.114 268 1HD1 LEU 86 HD22 LEU 86 2.648 -6.872 -3.684 269 2HD1 LEU 86 HD23 LEU 86 2.058 -5.251 -3.048 270 3HD1 LEU 86 HD21 LEU 86 0.891 -6.494 -3.569 271 1HD2 LEU 86 HD11 LEU 86 2.683 -3.987 -6.491 272 2HD2 LEU 86 HD12 LEU 86 2.926 -3.650 -4.757 273 3HD2 LEU 86 HD13 LEU 86 3.951 -4.918 -5.578 274 H LYS 87 HN LYS 87 -0.557 -8.030 -6.915 275 HA LYS 87 HA LYS 87 0.049 -9.833 -8.734 276 1HB LYS 87 HB1 LYS 87 -2.416 -9.129 -7.313 277 2HB LYS 87 HB2 LYS 87 -2.981 -9.290 -8.884 278 1HG LYS 87 HG1 LYS 87 -1.200 -11.569 -7.962 279 2HG LYS 87 HG2 LYS 87 -2.760 -11.382 -7.149 280 1HD LYS 87 HD1 LYS 87 -3.885 -11.398 -9.469 281 2HD LYS 87 HD2 LYS 87 -2.309 -11.663 -10.199 282 1HE LYS 87 HE1 LYS 87 -3.394 -13.840 -10.039 283 2HE LYS 87 HE2 LYS 87 -2.070 -13.824 -8.804 284 1HZ LYS 87 HZ1 LYS 87 -3.722 -13.221 -7.159 285 2HZ LYS 87 HZ2 LYS 87 -4.947 -13.265 -8.325 286 3HZ LYS 87 HZ3 LYS 87 -4.110 -14.688 -7.923 287 H VAL 88 HN VAL 88 -2.344 -7.338 -9.403 288 HA VAL 88 HA VAL 88 -2.676 -7.651 -12.078 289 HB VAL 88 HB VAL 88 -2.332 -4.913 -10.689 290 1HG1 VAL 88 HG12 VAL 88 -3.832 -5.496 -13.228 291 2HG1 VAL 88 HG13 VAL 88 -3.839 -3.958 -12.247 292 3HG1 VAL 88 HG11 VAL 88 -2.317 -4.495 -12.973 293 1HG2 VAL 88 HG22 VAL 88 -4.467 -6.928 -10.337 294 2HG2 VAL 88 HG23 VAL 88 -3.954 -5.504 -9.335 295 3HG2 VAL 88 HG21 VAL 88 -5.027 -5.248 -10.741 296 H ARG 89 HN ARG 89 -0.052 -5.909 -10.446 297 HA ARG 89 HA ARG 89 1.042 -4.896 -12.850 298 1HB ARG 89 HB1 ARG 89 2.339 -5.100 -10.095 299 2HB ARG 89 HB2 ARG 89 2.691 -3.918 -11.325 300 1HG ARG 89 HG1 ARG 89 -0.208 -3.870 -10.717 301 2HG ARG 89 HG2 ARG 89 0.615 -3.984 -9.210 302 1HD ARG 89 HD1 ARG 89 0.572 -1.666 -9.456 303 2HD ARG 89 HD2 ARG 89 2.121 -1.957 -10.386 304 HE ARG 89 HE ARG 89 -0.592 -1.979 -11.758 305 1HH1 ARG 89 HH22 ARG 89 1.533 0.220 -10.307 306 2HH1 ARG 89 HH21 ARG 89 0.988 1.527 -11.309 307 1HH2 ARG 89 HH12 ARG 89 -0.794 -0.516 -13.536 308 2HH2 ARG 89 HH11 ARG 89 -0.349 1.106 -13.133 309 H GLY 90 HN GLY 90 1.702 -7.700 -10.751 310 1HA GLY 90 HA2 GLY 90 2.653 -9.622 -11.687 311 2HA GLY 90 HA1 GLY 90 3.661 -8.641 -12.795 312 H LEU 91 HN LEU 91 3.039 -7.797 -9.384 313 HA LEU 91 HA LEU 91 5.941 -8.217 -8.889 314 1HB LEU 91 HB1 LEU 91 3.911 -6.145 -7.877 315 2HB LEU 91 HB2 LEU 91 5.400 -6.483 -6.990 316 HG LEU 91 HG LEU 91 4.913 -4.777 -9.321 317 1HD1 LEU 91 HD23 LEU 91 6.168 -4.078 -7.294 318 2HD1 LEU 91 HD21 LEU 91 7.482 -5.249 -7.704 319 3HD1 LEU 91 HD22 LEU 91 7.132 -3.860 -8.804 320 1HD2 LEU 91 HD12 LEU 91 7.097 -6.847 -9.818 321 2HD2 LEU 91 HD13 LEU 91 5.593 -6.504 -10.814 322 3HD2 LEU 91 HD11 LEU 91 6.891 -5.291 -10.689 323 H GLN 92 HN GLN 92 6.280 -8.421 -6.367 324 HA GLN 92 HA GLN 92 4.026 -9.940 -5.255 325 1HB GLN 92 HB1 GLN 92 5.287 -11.659 -4.396 326 2HB GLN 92 HB2 GLN 92 5.807 -11.525 -6.051 327 1HG GLN 92 HG1 GLN 92 7.779 -10.001 -5.293 328 2HG GLN 92 HG2 GLN 92 7.399 -10.463 -3.630 329 1HE2 GLN 92 HE21 GLN 92 8.829 -13.821 -4.290 330 2HE2 GLN 92 HE22 GLN 92 7.602 -13.193 -3.379 331 HA PRO 93 HA PRO 93 5.072 -7.066 -2.234 332 1HB PRO 93 HB1 PRO 93 3.323 -7.805 -0.287 333 2HB PRO 93 HB2 PRO 93 2.856 -6.928 -1.688 334 1HG PRO 93 HG1 PRO 93 2.413 -9.813 -1.106 335 2HG PRO 93 HG2 PRO 93 1.445 -8.721 -2.090 336 1HD PRO 93 HD1 PRO 93 3.170 -10.651 -3.089 337 2HD PRO 93 HD2 PRO 93 2.698 -9.223 -3.980 338 H GLU 94 HN GLU 94 5.411 -10.482 -1.727 339 HA GLU 94 HA GLU 94 5.874 -10.497 0.980 340 1HB GLU 94 HB1 GLU 94 7.331 -12.408 -0.915 341 2HB GLU 94 HB2 GLU 94 6.961 -12.676 0.786 342 1HG GLU 94 HG1 GLU 94 5.201 -13.887 0.004 343 2HG GLU 94 HG2 GLU 94 4.382 -12.272 -0.060 344 H CYS 95 HN CYS 95 7.989 -9.413 -1.613 345 HA CYS 95 HA CYS 95 10.310 -9.654 0.189 346 1HB CYS 95 HB1 CYS 95 10.150 -10.598 -2.316 347 2HB CYS 95 HB2 CYS 95 10.418 -8.911 -2.763 348 HG1 CYS 95 HG1 CYS 95 12.580 -8.633 -1.177 349 H CYS 96 HN CYS 96 7.952 -7.495 -0.197 350 HA CYS 96 HA CYS 96 9.791 -5.186 -0.483 351 1HB CYS 96 HB1 CYS 96 6.802 -5.377 -1.065 352 2HB CYS 96 HB2 CYS 96 7.833 -4.002 -1.342 353 HG1 CYS 96 HG1 CYS 96 7.403 -6.629 -3.106 354 H ALA 97 HN ALA 97 8.868 -3.202 0.546 355 HA ALA 97 HA ALA 97 7.313 -3.816 2.974 356 1HB ALA 97 HB1 ALA 97 9.437 -1.635 2.826 357 2HB ALA 97 HB2 ALA 97 8.196 -1.772 4.083 358 3HB ALA 97 HB3 ALA 97 9.396 -3.086 3.970 359 H VAL 98 HN VAL 98 5.424 -2.698 3.008 360 HA VAL 98 HA VAL 98 5.027 -0.700 0.908 361 HB VAL 98 HB VAL 98 3.348 -2.424 0.919 362 1HG1 VAL 98 HG12 VAL 98 3.559 -2.194 3.885 363 2HG1 VAL 98 HG13 VAL 98 1.967 -2.510 3.236 364 3HG1 VAL 98 HG11 VAL 98 3.357 -3.638 2.802 365 1HG2 VAL 98 HG22 VAL 98 2.545 0.002 0.752 366 2HG2 VAL 98 HG23 VAL 98 1.353 -1.255 1.146 367 3HG2 VAL 98 HG21 VAL 98 1.965 -0.221 2.477 368 H PHE 99 HN PHE 99 3.947 1.308 1.453 369 HA PHE 99 HA PHE 99 4.278 2.189 4.232 370 1HB PHE 99 HB1 PHE 99 5.784 3.272 1.780 371 2HB PHE 99 HB2 PHE 99 5.397 4.329 3.095 372 HD1 PHE 99 HD2 PHE 99 7.003 1.218 1.775 373 HD2 PHE 99 HD1 PHE 99 6.934 3.729 5.260 374 HE1 PHE 99 HE2 PHE 99 9.299 0.624 2.289 375 HE2 PHE 99 HE1 PHE 99 9.141 3.017 5.791 376 HZ PHE 99 HZ PHE 99 10.471 2.048 3.962 377 H ARG 100 HN ARG 100 3.395 4.396 4.479 378 HA ARG 100 HA ARG 100 1.367 5.305 2.415 379 1HB ARG 100 HB1 ARG 100 0.040 5.111 3.954 380 2HB ARG 100 HB2 ARG 100 1.319 5.214 5.214 381 1HG ARG 100 HG1 ARG 100 1.728 7.566 4.793 382 2HG ARG 100 HG2 ARG 100 0.280 7.600 3.715 383 1HD ARG 100 HD1 ARG 100 -0.705 6.401 6.037 384 2HD ARG 100 HD2 ARG 100 0.704 7.176 6.722 385 HE ARG 100 HE ARG 100 -1.701 8.401 5.137 386 1HH1 ARG 100 HH22 ARG 100 1.298 9.145 6.778 387 2HH1 ARG 100 HH21 ARG 100 0.953 10.852 6.884 388 1HH2 ARG 100 HH12 ARG 100 -2.365 10.532 5.753 389 2HH2 ARG 100 HH11 ARG 100 -1.107 11.655 6.212 390 H LEU 101 HN LEU 101 1.807 7.342 1.597 391 HA LEU 101 HA LEU 101 4.597 7.877 1.558 392 1HB LEU 101 HB1 LEU 101 2.180 9.520 0.437 393 2HB LEU 101 HB2 LEU 101 3.884 9.883 0.048 394 HG LEU 101 HG LEU 101 2.305 7.383 -0.756 395 1HD1 LEU 101 HD22 LEU 101 1.995 9.506 -2.122 396 2HD1 LEU 101 HD23 LEU 101 3.750 9.425 -2.518 397 3HD1 LEU 101 HD21 LEU 101 2.665 8.077 -3.019 398 1HD2 LEU 101 HD13 LEU 101 5.293 7.918 -1.099 399 2HD2 LEU 101 HD11 LEU 101 4.504 6.586 -0.167 400 3HD2 LEU 101 HD12 LEU 101 4.343 6.670 -1.978 401 H LEU 102 HN LEU 102 5.330 10.288 1.696 402 HA LEU 102 HA LEU 102 4.791 11.048 4.367 403 1HB LEU 102 HB1 LEU 102 6.464 12.956 3.508 404 2HB LEU 102 HB2 LEU 102 6.971 11.378 4.159 405 HG LEU 102 HG LEU 102 7.127 10.433 1.879 406 1HD1 LEU 102 HD23 LEU 102 5.370 11.997 0.849 407 2HD1 LEU 102 HD21 LEU 102 6.602 13.274 0.838 408 3HD1 LEU 102 HD22 LEU 102 6.893 11.751 -0.119 409 1HD2 LEU 102 HD11 LEU 102 9.130 11.356 2.877 410 2HD2 LEU 102 HD12 LEU 102 9.093 11.619 1.095 411 3HD2 LEU 102 HD13 LEU 102 8.737 12.992 2.217 412 H HIS 103 HN HSP 103 2.517 11.689 4.216 413 HA HIS 103 HA HSP 103 2.060 14.114 2.661 414 1HB HIS 103 HB1 HSP 103 0.244 12.404 4.407 415 2HB HIS 103 HB2 HSP 103 -0.265 13.945 3.624 416 HD1 HIS 103 HD1 HSP 103 -1.768 11.460 2.848 417 HD2 HIS 103 HD2 HSP 103 1.588 12.886 0.746 418 HE1 HIS 103 HE1 HSP 103 -1.972 10.673 0.466 419 HE2 HIS 103 HE2 HSP 103 -0.002 11.599 -0.802 420 H GLU 104 HN GLU 104 3.221 13.184 5.799 421 HA GLU 104 HA GLU 104 3.031 16.008 6.588 422 1HB GLU 104 HB1 GLU 104 2.451 13.801 8.618 423 2HB GLU 104 HB2 GLU 104 2.289 15.543 8.823 424 1HG GLU 104 HG1 GLU 104 0.049 14.912 8.593 425 2HG GLU 104 HG2 GLU 104 0.451 15.453 6.924 426 H HIS 105 HN HSP 105 5.186 14.200 5.474 427 HA HIS 105 HA HSP 105 7.007 14.534 7.719 428 1HB HIS 105 HB1 HSP 105 7.714 12.012 6.470 429 2HB HIS 105 HB2 HSP 105 7.466 12.382 8.191 430 HD1 HIS 105 HD1 HSP 105 4.656 12.475 8.721 431 HD2 HIS 105 HD2 HSP 105 6.111 10.002 5.671 432 HE1 HIS 105 HE1 HSP 105 2.899 10.696 8.291 433 HE2 HIS 105 HE2 HSP 105 3.803 9.253 6.419 434 H LYS 106 HN LYS 106 9.304 14.474 6.891 435 HA LYS 106 HA LYS 106 9.443 14.523 3.940 436 1HB LYS 106 HB1 LYS 106 10.554 16.327 6.094 437 2HB LYS 106 HB2 LYS 106 11.574 15.996 4.702 438 1HG LYS 106 HG1 LYS 106 10.502 17.931 4.038 439 2HG LYS 106 HG2 LYS 106 9.655 16.664 3.139 440 1HD LYS 106 HD1 LYS 106 8.084 16.879 5.462 441 2HD LYS 106 HD2 LYS 106 8.743 18.508 5.385 442 1HE LYS 106 HE1 LYS 106 6.612 18.495 4.197 443 2HE LYS 106 HE2 LYS 106 7.934 18.698 2.962 444 1HZ LYS 106 HZ2 LYS 106 6.993 16.005 3.664 445 2HZ LYS 106 HZ3 LYS 106 6.043 16.992 2.643 446 3HZ LYS 106 HZ1 LYS 106 7.645 16.601 2.219 447 H GLY 107 HN GLY 107 10.924 13.219 3.099 448 1HA GLY 107 HA2 GLY 107 12.802 12.040 2.884 449 2HA GLY 107 HA1 GLY 107 13.296 12.571 4.520 450 H LYS 108 HN LYS 108 10.167 11.117 4.653 451 HA LYS 108 HA LYS 108 11.181 8.432 5.047 452 1HB LYS 108 HB1 LYS 108 10.199 10.115 7.358 453 2HB LYS 108 HB2 LYS 108 10.171 8.323 7.315 454 1HG LYS 108 HG1 LYS 108 12.769 8.702 6.594 455 2HG LYS 108 HG2 LYS 108 12.535 10.182 7.545 456 1HD LYS 108 HD1 LYS 108 11.652 8.574 9.432 457 2HD LYS 108 HD2 LYS 108 12.036 7.214 8.350 458 1HE LYS 108 HE1 LYS 108 14.466 7.876 8.357 459 2HE LYS 108 HE2 LYS 108 14.075 9.261 9.455 460 1HZ LYS 108 HZ2 LYS 108 13.600 6.386 10.021 461 2HZ LYS 108 HZ3 LYS 108 14.849 7.346 10.652 462 3HZ LYS 108 HZ1 LYS 108 13.233 7.684 11.050 463 H LYS 109 HN LYS 109 9.561 7.064 4.595 464 HA LYS 109 HA LYS 109 6.869 8.147 4.057 465 1HB LYS 109 HB1 LYS 109 8.553 5.885 3.117 466 2HB LYS 109 HB2 LYS 109 7.310 5.299 3.541 467 1HG LYS 109 HG1 LYS 109 6.691 7.698 1.784 468 2HG LYS 109 HG2 LYS 109 8.382 7.343 1.495 469 1HD LYS 109 HD1 LYS 109 6.028 5.422 1.045 470 2HD LYS 109 HD2 LYS 109 6.846 6.273 -0.188 471 1HE LYS 109 HE1 LYS 109 8.375 4.363 1.712 472 2HE LYS 109 HE2 LYS 109 7.586 3.781 0.201 473 1HZ LYS 109 HZ3 LYS 109 8.893 5.525 -0.968 474 2HZ LYS 109 HZ1 LYS 109 9.777 5.745 0.484 475 3HZ LYS 109 HZ2 LYS 109 9.777 4.237 -0.357 476 H ALA 110 HN ALA 110 5.149 6.706 4.937 477 HA ALA 110 HA ALA 110 5.814 6.259 7.790 478 1HB ALA 110 HB3 ALA 110 3.060 6.591 6.554 479 2HB ALA 110 HB1 ALA 110 3.395 6.014 8.241 480 3HB ALA 110 HB2 ALA 110 3.876 7.669 7.771 481 H ARG 111 HN ARG 111 6.069 4.071 8.396 482 HA ARG 111 HA ARG 111 5.735 2.255 6.130 483 1HB ARG 111 HB1 ARG 111 7.970 2.476 7.236 484 2HB ARG 111 HB2 ARG 111 7.217 2.009 8.774 485 1HG ARG 111 HG1 ARG 111 6.638 0.096 6.580 486 2HG ARG 111 HG2 ARG 111 8.350 0.258 6.907 487 1HD ARG 111 HD1 ARG 111 7.955 -0.188 9.355 488 2HD ARG 111 HD2 ARG 111 6.225 -0.192 9.096 489 HE ARG 111 HE ARG 111 6.467 -2.277 7.662 490 1HH1 ARG 111 HH22 ARG 111 9.583 -0.882 8.334 491 2HH1 ARG 111 HH21 ARG 111 10.459 -2.241 7.690 492 1HH2 ARG 111 HH12 ARG 111 7.617 -4.277 7.349 493 2HH2 ARG 111 HH11 ARG 111 9.331 -4.158 7.086 494 H LEU 112 HN LEU 112 4.620 0.427 6.332 495 HA LEU 112 HA LEU 112 2.609 0.470 8.517 496 1HB LEU 112 HB1 LEU 112 2.335 -0.299 5.565 497 2HB LEU 112 HB2 LEU 112 1.042 -0.405 6.777 498 HG LEU 112 HG LEU 112 2.472 2.165 6.047 499 1HD1 LEU 112 HD13 LEU 112 1.304 1.316 4.055 500 2HD1 LEU 112 HD11 LEU 112 -0.217 1.130 5.005 501 3HD1 LEU 112 HD12 LEU 112 0.476 2.775 4.714 502 1HD2 LEU 112 HD22 LEU 112 1.586 2.337 8.241 503 2HD2 LEU 112 HD23 LEU 112 0.664 3.368 7.096 504 3HD2 LEU 112 HD21 LEU 112 -0.047 1.801 7.666 505 H ASP 113 HN ASP 113 1.258 -1.704 8.052 506 HA ASP 113 HA ASP 113 3.270 -3.773 8.484 507 1HB ASP 113 HB1 ASP 113 1.671 -3.303 10.433 508 2HB ASP 113 HB2 ASP 113 0.348 -3.951 9.364 509 H TRP 114 HN TRP 114 3.183 -5.567 7.098 510 HA TRP 114 HA TRP 114 1.729 -5.463 5.122 511 1HB TRP 114 HB1 TRP 114 3.527 -7.543 6.421 512 2HB TRP 114 HB2 TRP 114 2.370 -8.372 5.378 513 HD1 TRP 114 HD1 TRP 114 5.721 -7.880 4.754 514 HE1 TRP 114 HE1 TRP 114 6.342 -6.714 2.517 515 HE3 TRP 114 HE3 TRP 114 1.213 -6.365 3.642 516 HZ2 TRP 114 HZ2 TRP 114 4.741 -5.594 0.280 517 HZ3 TRP 114 HZ3 TRP 114 0.670 -5.249 1.481 518 HH2 TRP 114 HH2 TRP 114 2.337 -5.068 -0.225 519 H ASN 115 HN ASN 115 0.409 -6.232 8.027 520 HA ASN 115 HA ASN 115 -1.965 -7.339 6.611 521 1HB ASN 115 HB1 ASN 115 -0.641 -8.197 8.955 522 2HB ASN 115 HB2 ASN 115 -1.802 -7.115 9.643 523 1HD2 ASN 115 HD21 ASN 115 -4.698 -9.020 8.509 524 2HD2 ASN 115 HD22 ASN 115 -4.148 -7.390 8.742 525 H THR 116 HN THR 116 -0.887 -4.429 6.747 526 HA THR 116 HA THR 116 -2.100 -3.453 8.866 527 HB THR 116 HB THR 116 -0.254 -2.298 7.142 528 HG1 THR 116 HG1 THR 116 -1.181 -1.238 9.490 529 1HG2 THR 116 HG23 THR 116 -2.542 -0.730 6.611 530 2HG2 THR 116 HG21 THR 116 -2.354 -0.284 8.337 531 3HG2 THR 116 HG22 THR 116 -1.043 0.091 7.145 532 H ASP 117 HN ASP 117 -4.017 -2.086 9.172 533 HA ASP 117 HA ASP 117 -6.246 -2.571 7.423 534 1HB ASP 117 HB1 ASP 117 -7.162 -0.590 8.854 535 2HB ASP 117 HB2 ASP 117 -6.958 -2.248 9.574 536 H ALA 118 HN ALA 118 -5.373 -1.926 5.407 537 HA ALA 118 HA ALA 118 -4.535 0.611 4.567 538 1HB ALA 118 HB2 ALA 118 -6.510 -1.371 3.249 539 2HB ALA 118 HB3 ALA 118 -5.430 -0.176 2.403 540 3HB ALA 118 HB1 ALA 118 -4.726 -1.583 3.268 541 H ALA 119 HN ALA 119 -7.629 -0.387 5.869 542 HA ALA 119 HA ALA 119 -9.237 1.704 4.676 543 1HB ALA 119 HB3 ALA 119 -8.979 -0.397 7.006 544 2HB ALA 119 HB1 ALA 119 -10.476 0.682 6.924 545 3HB ALA 119 HB2 ALA 119 -10.088 -0.503 5.615 546 H SER 120 HN SER 120 -6.707 1.655 7.102 547 HA SER 120 HA SER 120 -7.848 4.082 8.341 548 1HB SER 120 HB1 SER 120 -6.881 2.352 9.859 549 2HB SER 120 HB2 SER 120 -5.294 2.584 9.055 550 HG SER 120 HG1 SER 120 -5.764 4.929 9.575 551 H LEU 121 HN LEU 121 -5.821 3.029 5.764 552 HA LEU 121 HA LEU 121 -4.339 5.611 5.740 553 1HB LEU 121 HB1 LEU 121 -3.927 3.146 3.967 554 2HB LEU 121 HB2 LEU 121 -2.917 4.550 4.028 555 HG LEU 121 HG LEU 121 -1.666 3.089 5.368 556 1HD1 LEU 121 HD22 LEU 121 -2.217 5.107 6.777 557 2HD1 LEU 121 HD23 LEU 121 -3.610 4.245 7.446 558 3HD1 LEU 121 HD21 LEU 121 -1.946 3.587 7.767 559 1HD2 LEU 121 HD11 LEU 121 -4.368 1.910 6.099 560 2HD2 LEU 121 HD12 LEU 121 -2.848 1.094 5.551 561 3HD2 LEU 121 HD13 LEU 121 -3.006 1.704 7.253 562 H ILE 122 HN ILE 122 -6.941 4.166 4.912 563 HA ILE 122 HA ILE 122 -7.512 4.638 2.389 564 HB ILE 122 HB ILE 122 -9.151 3.877 4.347 565 1HG1 ILE 122 HG11 ILE 122 -11.049 4.019 2.586 566 2HG1 ILE 122 HG12 ILE 122 -9.639 4.434 1.497 567 1HG2 ILE 122 HG22 ILE 122 -9.744 6.138 5.150 568 2HG2 ILE 122 HG23 ILE 122 -10.397 6.523 3.489 569 3HG2 ILE 122 HG21 ILE 122 -11.174 5.255 4.450 570 1HD1 ILE 122 HD2 ILE 122 -8.510 2.352 2.628 571 2HD1 ILE 122 HD3 ILE 122 -10.295 1.841 2.652 572 3HD1 ILE 122 HD1 ILE 122 -9.501 2.294 1.138 573 H GLY 123 HN GLY 123 -8.232 6.158 1.054 574 1HA GLY 123 HA2 GLY 123 -8.259 8.206 0.086 575 2HA GLY 123 HA1 GLY 123 -8.634 8.835 1.731 576 H GLU 124 HN GLU 124 -5.636 7.118 0.679 577 HA GLU 124 HA GLU 124 -4.160 9.660 0.966 578 1HB GLU 124 HB1 GLU 124 -3.343 6.975 2.166 579 2HB GLU 124 HB2 GLU 124 -2.444 8.496 2.259 580 1HG GLU 124 HG1 GLU 124 -5.306 8.308 3.392 581 2HG GLU 124 HG2 GLU 124 -3.978 7.596 4.262 582 H GLU 125 HN GLU 125 -1.655 8.359 0.707 583 HA GLU 125 HA GLU 125 -1.855 6.967 -1.888 584 1HB GLU 125 HB1 GLU 125 -0.009 9.292 -1.267 585 2HB GLU 125 HB2 GLU 125 0.311 8.117 -2.546 586 1HG GLU 125 HG1 GLU 125 -1.136 8.799 -4.041 587 2HG GLU 125 HG2 GLU 125 -2.434 9.043 -2.851 588 H LEU 126 HN LEU 126 -0.804 5.091 -1.714 589 HA LEU 126 HA LEU 126 1.186 4.954 0.339 590 1HB LEU 126 HB1 LEU 126 -0.512 2.827 -1.063 591 2HB LEU 126 HB2 LEU 126 0.957 2.332 -0.256 592 HG LEU 126 HG LEU 126 -0.136 3.872 1.752 593 1HD1 LEU 126 HD23 LEU 126 -2.517 2.935 0.272 594 2HD1 LEU 126 HD21 LEU 126 -2.461 3.283 2.050 595 3HD1 LEU 126 HD22 LEU 126 -2.032 4.580 0.901 596 1HD2 LEU 126 HD13 LEU 126 0.779 1.528 1.957 597 2HD2 LEU 126 HD11 LEU 126 -0.806 1.735 2.822 598 3HD2 LEU 126 HD12 LEU 126 -0.746 0.890 1.231 599 H GLN 127 HN GLN 127 2.955 3.216 -0.089 600 HA GLN 127 HA GLN 127 3.768 3.225 -2.898 601 1HB GLN 127 HB1 GLN 127 5.080 5.021 -1.154 602 2HB GLN 127 HB2 GLN 127 6.032 3.614 -0.966 603 1HG GLN 127 HG1 GLN 127 5.859 3.652 -3.769 604 2HG GLN 127 HG2 GLN 127 5.767 5.456 -3.342 605 1HE2 GLN 127 HE21 GLN 127 9.275 3.514 -2.590 606 2HE2 GLN 127 HE22 GLN 127 7.874 2.585 -3.027 607 H VAL 128 HN VAL 128 5.396 1.476 -3.250 608 HA VAL 128 HA VAL 128 5.764 -0.209 -0.851 609 HB VAL 128 HB VAL 128 5.134 -1.096 -3.676 610 1HG1 VAL 128 HG12 VAL 128 6.352 -2.755 -1.377 611 2HG1 VAL 128 HG13 VAL 128 5.689 -3.418 -2.923 612 3HG1 VAL 128 HG11 VAL 128 7.151 -2.387 -2.972 613 1HG2 VAL 128 HG23 VAL 128 3.236 -0.872 -2.031 614 2HG2 VAL 128 HG21 VAL 128 3.510 -2.541 -2.650 615 3HG2 VAL 128 HG22 VAL 128 4.055 -2.097 -0.977 616 H ASP 129 HN ASP 129 7.878 -0.957 -0.557 617 HA ASP 129 HA ASP 129 9.802 0.004 -2.547 618 1HB ASP 129 HB1 ASP 129 9.280 1.324 -0.031 619 2HB ASP 129 HB2 ASP 129 10.729 0.326 0.296 620 H PHE 130 HN PHE 130 12.134 -0.732 -1.028 621 HA PHE 130 HA PHE 130 11.974 -3.547 -1.331 622 1HB PHE 130 HB1 PHE 130 14.294 -3.486 -0.192 623 2HB PHE 130 HB2 PHE 130 14.138 -2.654 -1.770 624 HD1 PHE 130 HD2 PHE 130 14.407 -2.150 1.904 625 HD2 PHE 130 HD1 PHE 130 14.134 -0.206 -1.901 626 HE1 PHE 130 HE2 PHE 130 15.020 -0.022 2.939 627 HE2 PHE 130 HE1 PHE 130 14.749 1.912 -0.846 628 HZ PHE 130 HZ PHE 130 15.187 2.020 1.572 629 H LEU 131 HN LEU 131 12.685 -5.036 0.568 630 HA LEU 131 HA LEU 131 10.776 -4.728 2.616 631 1HB LEU 131 HB1 LEU 131 11.734 -6.820 3.533 632 2HB LEU 131 HB2 LEU 131 11.026 -6.886 1.961 633 HG LEU 131 HG LEU 131 13.004 -6.826 0.660 634 1HD1 LEU 131 HD21 LEU 131 14.514 -5.426 2.057 635 2HD1 LEU 131 HD22 LEU 131 14.659 -6.812 3.251 636 3HD1 LEU 131 HD23 LEU 131 15.267 -6.974 1.576 637 1HD2 LEU 131 HD13 LEU 131 12.175 -9.020 1.504 638 2HD2 LEU 131 HD11 LEU 131 13.952 -8.976 1.170 639 3HD2 LEU 131 HD12 LEU 131 13.341 -8.909 2.870 640 H ASP 132 HN ASP 132 13.070 -6.077 4.346 641 HA ASP 132 HA ASP 132 13.962 -3.504 5.547 642 1HB ASP 132 HB1 ASP 132 12.945 -5.992 7.014 643 2HB ASP 132 HB2 ASP 132 13.776 -4.578 7.787 No H/Q in entry = 643 Start of MODEL 2 1 1H SER 55 HT1 SER 55 -13.568 7.644 3.107 2 2H SER 55 HT3 SER 55 -11.909 7.773 3.340 3 3H SER 55 HT2 SER 55 -12.760 9.069 2.628 4 HA SER 55 HA SER 55 -13.174 7.878 0.683 5 1HB SER 55 HB1 SER 55 -10.738 8.789 1.188 6 2HB SER 55 HB2 SER 55 -10.304 7.052 1.371 7 HG SER 55 HG1 SER 55 -11.270 8.474 -0.873 8 H ASN 56 HN ASN 56 -11.980 5.789 -0.503 9 HA ASN 56 HA ASN 56 -12.083 3.445 1.202 10 1HB ASN 56 HB1 ASN 56 -14.503 3.893 0.544 11 2HB ASN 56 HB2 ASN 56 -13.977 3.572 -1.181 12 1HD2 ASN 56 HD21 ASN 56 -13.768 0.471 1.561 13 2HD2 ASN 56 HD22 ASN 56 -13.639 2.106 2.123 14 H THR 57 HN THR 57 -10.330 5.232 -0.621 15 HA THR 57 HA THR 57 -9.402 3.035 -2.344 16 HB THR 57 HB THR 57 -9.102 4.417 -4.262 17 HG1 THR 57 HG1 THR 57 -10.192 6.539 -2.716 18 1HG2 THR 57 HG21 THR 57 -11.514 3.631 -3.954 19 2HG2 THR 57 HG22 THR 57 -11.882 5.212 -3.157 20 3HG2 THR 57 HG23 THR 57 -11.361 5.170 -4.886 21 H ILE 58 HN ILE 58 -7.137 3.090 -2.684 22 HA ILE 58 HA ILE 58 -5.741 5.394 -1.628 23 HB ILE 58 HB ILE 58 -4.333 2.895 -0.880 24 1HG1 ILE 58 HG11 ILE 58 -6.749 3.636 0.802 25 2HG1 ILE 58 HG12 ILE 58 -6.604 2.200 -0.247 26 1HG2 ILE 58 HG23 ILE 58 -3.377 5.109 -0.370 27 2HG2 ILE 58 HG21 ILE 58 -4.825 5.512 0.655 28 3HG2 ILE 58 HG22 ILE 58 -3.731 4.189 1.138 29 1HD1 ILE 58 HD2 ILE 58 -4.519 1.498 1.023 30 2HD1 ILE 58 HD3 ILE 58 -4.895 2.810 2.214 31 3HD1 ILE 58 HD1 ILE 58 -6.062 1.468 1.960 32 H ARG 59 HN ARG 59 -3.512 5.495 -2.599 33 HA ARG 59 HA ARG 59 -3.543 3.969 -5.114 34 1HB ARG 59 HB1 ARG 59 -2.511 6.705 -4.366 35 2HB ARG 59 HB2 ARG 59 -2.163 5.881 -5.911 36 1HG ARG 59 HG1 ARG 59 -4.248 6.150 -6.733 37 2HG ARG 59 HG2 ARG 59 -5.044 5.778 -5.320 38 1HD ARG 59 HD1 ARG 59 -3.616 8.520 -5.558 39 2HD ARG 59 HD2 ARG 59 -5.328 8.272 -6.080 40 HE ARG 59 HE ARG 59 -4.280 7.901 -3.237 41 1HH1 ARG 59 HH22 ARG 59 -6.899 7.208 -5.411 42 2HH1 ARG 59 HH21 ARG 59 -7.998 6.871 -4.108 43 1HH2 ARG 59 HH12 ARG 59 -5.795 7.925 -1.582 44 2HH2 ARG 59 HH11 ARG 59 -7.383 7.312 -1.939 45 H VAL 60 HN VAL 60 -1.907 2.648 -5.530 46 HA VAL 60 HA VAL 60 0.212 2.549 -3.439 47 HB VAL 60 HB VAL 60 -0.305 0.309 -5.386 48 1HG1 VAL 60 HG11 VAL 60 1.844 0.384 -4.086 49 2HG1 VAL 60 HG12 VAL 60 0.888 0.290 -2.569 50 3HG1 VAL 60 HG13 VAL 60 0.813 -1.070 -3.763 51 1HG2 VAL 60 HG23 VAL 60 -1.686 0.611 -2.668 52 2HG2 VAL 60 HG21 VAL 60 -2.478 0.617 -4.294 53 3HG2 VAL 60 HG22 VAL 60 -1.653 -0.870 -3.708 54 H PHE 61 HN PHE 61 1.962 3.623 -4.090 55 HA PHE 61 HA PHE 61 2.591 3.716 -6.965 56 1HB PHE 61 HB1 PHE 61 3.550 5.212 -4.494 57 2HB PHE 61 HB2 PHE 61 4.532 5.201 -6.058 58 HD1 PHE 61 HD2 PHE 61 1.031 5.673 -4.662 59 HD2 PHE 61 HD1 PHE 61 3.918 6.917 -7.565 60 HE1 PHE 61 HE2 PHE 61 -0.417 7.516 -5.315 61 HE2 PHE 61 HE1 PHE 61 2.488 8.824 -8.134 62 HZ PHE 61 HZ PHE 61 0.351 9.165 -6.958 63 H LEU 62 HN LEU 62 4.522 2.672 -7.813 64 HA LEU 62 HA LEU 62 5.271 0.653 -5.903 65 1HB LEU 62 HB1 LEU 62 5.149 0.941 -8.927 66 2HB LEU 62 HB2 LEU 62 6.473 -0.094 -8.346 67 HG LEU 62 HG LEU 62 4.790 -1.466 -7.036 68 1HD1 LEU 62 HD11 LEU 62 2.721 0.135 -8.581 69 2HD1 LEU 62 HD12 LEU 62 2.442 -1.396 -7.641 70 3HD1 LEU 62 HD13 LEU 62 2.968 0.089 -6.788 71 1HD2 LEU 62 HD22 LEU 62 5.874 -2.189 -9.017 72 2HD2 LEU 62 HD23 LEU 62 4.258 -2.878 -8.717 73 3HD2 LEU 62 HD21 LEU 62 4.452 -1.585 -9.989 74 HA PRO 63 HA PRO 63 9.297 1.960 -5.647 75 1HB PRO 63 HB1 PRO 63 10.495 -0.645 -6.263 76 2HB PRO 63 HB2 PRO 63 10.524 0.246 -4.768 77 1HG PRO 63 HG1 PRO 63 9.031 -2.063 -5.309 78 2HG PRO 63 HG2 PRO 63 8.710 -1.009 -3.987 79 1HD PRO 63 HD1 PRO 63 6.989 -1.393 -6.246 80 2HD PRO 63 HD2 PRO 63 6.736 -0.383 -4.972 81 H ASN 64 HN ASN 64 8.242 0.176 -8.503 82 HA ASN 64 HA ASN 64 10.534 1.023 -10.048 83 1HB ASN 64 HB1 ASN 64 7.849 -0.044 -11.080 84 2HB ASN 64 HB2 ASN 64 9.428 0.008 -11.960 85 1HD2 ASN 64 HD21 ASN 64 10.584 -3.026 -10.483 86 2HD2 ASN 64 HD22 ASN 64 10.862 -1.737 -11.604 87 H LYS 65 HN LYS 65 8.545 2.910 -8.533 88 HA LYS 65 HA LYS 65 7.932 4.982 -8.853 89 1HB LYS 65 HB1 LYS 65 8.669 4.899 -11.808 90 2HB LYS 65 HB2 LYS 65 8.511 6.326 -10.753 91 1HG LYS 65 HG1 LYS 65 10.630 4.117 -10.398 92 2HG LYS 65 HG2 LYS 65 10.899 5.605 -11.316 93 1HD LYS 65 HD1 LYS 65 11.639 6.527 -9.372 94 2HD LYS 65 HD2 LYS 65 9.929 6.631 -8.886 95 1HE LYS 65 HE1 LYS 65 10.103 4.421 -7.724 96 2HE LYS 65 HE2 LYS 65 11.824 4.264 -8.275 97 1HZ LYS 65 HZ2 LYS 65 12.309 6.294 -7.090 98 2HZ LYS 65 HZ3 LYS 65 10.699 6.415 -6.566 99 3HZ LYS 65 HZ1 LYS 65 11.663 5.111 -6.058 100 H GLN 66 HN GLN 66 6.644 2.359 -10.257 101 HA GLN 66 HA GLN 66 4.620 3.573 -11.649 102 1HB GLN 66 HB1 GLN 66 5.362 0.818 -11.080 103 2HB GLN 66 HB2 GLN 66 3.632 0.977 -10.920 104 1HG GLN 66 HG1 GLN 66 5.168 2.177 -13.336 105 2HG GLN 66 HG2 GLN 66 4.968 0.422 -13.209 106 1HE2 GLN 66 HE21 GLN 66 1.633 0.601 -14.429 107 2HE2 GLN 66 HE22 GLN 66 3.165 -0.192 -14.433 108 H ARG 67 HN ARG 67 2.147 2.695 -11.158 109 HA ARG 67 HA ARG 67 1.607 2.863 -8.415 110 1HB ARG 67 HB1 ARG 67 0.137 4.976 -8.663 111 2HB ARG 67 HB2 ARG 67 1.879 5.273 -8.655 112 1HG ARG 67 HG1 ARG 67 0.802 4.766 -11.399 113 2HG ARG 67 HG2 ARG 67 -0.018 6.092 -10.596 114 1HD ARG 67 HD1 ARG 67 2.245 7.159 -10.051 115 2HD ARG 67 HD2 ARG 67 3.034 5.873 -11.034 116 HE ARG 67 HE ARG 67 1.001 7.929 -12.046 117 1HH1 ARG 67 HH22 ARG 67 2.427 4.865 -12.746 118 2HH1 ARG 67 HH21 ARG 67 2.234 5.045 -14.448 119 1HH2 ARG 67 HH12 ARG 67 1.173 8.386 -14.313 120 2HH2 ARG 67 HH11 ARG 67 1.414 7.011 -15.332 121 H THR 68 HN THR 68 -0.818 2.911 -8.031 122 HA THR 68 HA THR 68 -2.566 2.627 -10.206 123 HB THR 68 HB THR 68 -1.565 0.342 -10.467 124 HG1 THR 68 HG1 THR 68 -3.632 -0.732 -9.987 125 1HG2 THR 68 HG21 THR 68 -0.983 0.039 -7.960 126 2HG2 THR 68 HG22 THR 68 -2.737 -0.286 -7.689 127 3HG2 THR 68 HG23 THR 68 -1.778 -1.365 -8.774 128 H VAL 69 HN VAL 69 -4.838 2.088 -9.295 129 HA VAL 69 HA VAL 69 -4.874 3.093 -6.507 130 HB VAL 69 HB VAL 69 -5.991 4.720 -7.731 131 1HG1 VAL 69 HG11 VAL 69 -7.573 2.495 -9.149 132 2HG1 VAL 69 HG12 VAL 69 -7.864 4.269 -9.299 133 3HG1 VAL 69 HG13 VAL 69 -6.319 3.569 -9.900 134 1HG2 VAL 69 HG23 VAL 69 -7.050 4.065 -5.644 135 2HG2 VAL 69 HG21 VAL 69 -8.159 4.793 -6.866 136 3HG2 VAL 69 HG22 VAL 69 -8.196 3.019 -6.586 137 H VAL 70 HN VAL 70 -6.063 1.955 -5.012 138 HA VAL 70 HA VAL 70 -7.207 -0.605 -5.991 139 HB VAL 70 HB VAL 70 -6.479 -1.654 -3.878 140 1HG1 VAL 70 HG11 VAL 70 -5.127 -2.018 -5.912 141 2HG1 VAL 70 HG12 VAL 70 -4.147 -0.556 -5.526 142 3HG1 VAL 70 HG13 VAL 70 -4.120 -1.983 -4.410 143 1HG2 VAL 70 HG21 VAL 70 -6.190 0.360 -2.464 144 2HG2 VAL 70 HG22 VAL 70 -4.714 -0.672 -2.498 145 3HG2 VAL 70 HG23 VAL 70 -4.754 0.849 -3.462 146 H ASN 71 HN ASN 71 -8.834 -1.476 -4.455 147 HA ASN 71 HA ASN 71 -10.224 0.752 -3.075 148 1HB ASN 71 HB1 ASN 71 -11.479 -1.714 -4.392 149 2HB ASN 71 HB2 ASN 71 -12.345 -0.466 -3.419 150 1HD2 ASN 71 HD21 ASN 71 -11.467 0.351 -7.327 151 2HD2 ASN 71 HD22 ASN 71 -11.043 -1.162 -6.605 152 H VAL 72 HN VAL 72 -11.066 0.211 -1.001 153 HA VAL 72 HA VAL 72 -9.725 -2.193 0.113 154 HB VAL 72 HB VAL 72 -10.478 0.444 1.409 155 1HG1 VAL 72 HG13 VAL 72 -10.668 -1.418 3.034 156 2HG1 VAL 72 HG11 VAL 72 -8.955 -1.939 2.605 157 3HG1 VAL 72 HG12 VAL 72 -9.272 -0.363 3.387 158 1HG2 VAL 72 HG23 VAL 72 -7.752 -0.768 0.639 159 2HG2 VAL 72 HG21 VAL 72 -8.487 0.754 0.018 160 3HG2 VAL 72 HG22 VAL 72 -7.964 0.621 1.753 161 H ARG 73 HN ARG 73 -11.094 -3.818 0.596 162 HA ARG 73 HA ARG 73 -13.919 -3.122 0.806 163 1HB ARG 73 HB1 ARG 73 -12.801 -4.990 -0.771 164 2HB ARG 73 HB2 ARG 73 -12.682 -5.939 0.667 165 1HG ARG 73 HG1 ARG 73 -14.794 -6.239 -0.889 166 2HG ARG 73 HG2 ARG 73 -15.093 -6.190 0.838 167 1HD ARG 73 HD1 ARG 73 -15.194 -3.582 -0.811 168 2HD ARG 73 HD2 ARG 73 -16.561 -4.754 -0.899 169 HE ARG 73 HE ARG 73 -16.609 -4.667 1.697 170 1HH1 ARG 73 HH22 ARG 73 -16.515 -2.123 -0.689 171 2HH1 ARG 73 HH21 ARG 73 -17.555 -1.100 0.240 172 1HH2 ARG 73 HH12 ARG 73 -17.462 -3.120 3.116 173 2HH2 ARG 73 HH11 ARG 73 -18.070 -1.652 2.425 174 H ASN 74 HN ASN 74 -14.237 -5.873 2.180 175 HA ASN 74 HA ASN 74 -13.467 -4.950 4.884 176 1HB ASN 74 HB1 ASN 74 -15.129 -6.921 5.511 177 2HB ASN 74 HB2 ASN 74 -15.693 -5.247 5.218 178 1HD2 ASN 74 HD21 ASN 74 -16.438 -8.155 2.337 179 2HD2 ASN 74 HD22 ASN 74 -15.095 -8.351 3.408 180 H GLY 75 HN GLY 75 -11.729 -5.964 5.741 181 1HA GLY 75 HA2 GLY 75 -10.689 -7.999 6.294 182 2HA GLY 75 HA1 GLY 75 -11.083 -8.677 4.687 183 H MET 76 HN MET 76 -10.395 -7.122 2.866 184 HA MET 76 HA MET 76 -8.543 -6.749 1.643 185 1HB MET 76 HB1 MET 76 -7.766 -4.296 2.687 186 2HB MET 76 HB2 MET 76 -8.851 -4.559 1.458 187 1HG MET 76 HG1 MET 76 -10.313 -3.430 2.842 188 2HG MET 76 HG2 MET 76 -10.705 -5.004 3.371 189 1HE MET 76 HE3 MET 76 -11.221 -2.306 5.093 190 2HE MET 76 HE1 MET 76 -11.527 -3.918 5.811 191 3HE MET 76 HE2 MET 76 -10.595 -2.691 6.728 192 H SER 77 HN SER 77 -7.233 -5.319 4.636 193 HA SER 77 HA SER 77 -5.102 -5.384 5.440 194 1HB SER 77 HB1 SER 77 -4.788 -8.158 4.342 195 2HB SER 77 HB2 SER 77 -4.017 -7.481 5.638 196 HG SER 77 HG1 SER 77 -6.874 -7.584 5.687 197 H LEU 78 HN LEU 78 -3.193 -4.788 4.922 198 HA LEU 78 HA LEU 78 -2.590 -3.836 2.601 199 1HB LEU 78 HB1 LEU 78 -0.882 -4.792 4.859 200 2HB LEU 78 HB2 LEU 78 -0.002 -4.502 3.340 201 HG LEU 78 HG LEU 78 -0.001 -2.515 4.802 202 1HD1 LEU 78 HD22 LEU 78 -0.063 -2.636 2.073 203 2HD1 LEU 78 HD23 LEU 78 -1.633 -1.859 2.336 204 3HD1 LEU 78 HD21 LEU 78 -0.320 -0.969 2.994 205 1HD2 LEU 78 HD12 LEU 78 -2.888 -2.320 3.878 206 2HD2 LEU 78 HD13 LEU 78 -2.281 -2.461 5.518 207 3HD2 LEU 78 HD11 LEU 78 -1.897 -0.965 4.535 208 H HIS 79 HN HSP 79 -1.021 -6.899 3.521 209 HA HIS 79 HA HSP 79 0.010 -7.411 1.127 210 1HB HIS 79 HB1 HSP 79 -0.589 -9.126 3.485 211 2HB HIS 79 HB2 HSP 79 -0.816 -10.055 2.037 212 HD1 HIS 79 HD1 HSP 79 1.469 -8.789 0.276 213 HD2 HIS 79 HD2 HSP 79 1.985 -9.929 4.261 214 HE1 HIS 79 HE1 HSP 79 3.962 -8.859 0.801 215 HE2 HIS 79 HE2 HSP 79 4.199 -9.815 3.061 216 H ASP 80 HN ASP 80 -3.227 -8.688 2.194 217 HA ASP 80 HA ASP 80 -3.604 -9.911 -0.346 218 1HB ASP 80 HB1 ASP 80 -5.444 -9.361 2.025 219 2HB ASP 80 HB2 ASP 80 -6.065 -10.063 0.486 220 H CYS 81 HN CYS 81 -4.179 -6.722 1.033 221 HA CYS 81 HA CYS 81 -5.987 -5.973 -1.023 222 1HB CYS 81 HB1 CYS 81 -5.390 -5.029 1.487 223 2HB CYS 81 HB2 CYS 81 -4.386 -3.935 0.566 224 HG1 CYS 81 HG1 CYS 81 -6.262 -3.305 -1.281 225 H LEU 82 HN LEU 82 -2.494 -5.847 -0.618 226 HA LEU 82 HA LEU 82 -2.162 -4.221 -3.018 227 1HB LEU 82 HB1 LEU 82 -0.258 -5.657 -1.051 228 2HB LEU 82 HB2 LEU 82 0.350 -4.803 -2.385 229 HG LEU 82 HG LEU 82 -0.877 -3.981 0.207 230 1HD1 LEU 82 HD12 LEU 82 1.200 -2.835 -1.785 231 2HD1 LEU 82 HD13 LEU 82 0.375 -1.626 -0.777 232 3HD1 LEU 82 HD11 LEU 82 1.308 -2.887 0.065 233 1HD2 LEU 82 HD22 LEU 82 -1.849 -2.487 -2.140 234 2HD2 LEU 82 HD23 LEU 82 -2.704 -3.244 -0.772 235 3HD2 LEU 82 HD21 LEU 82 -1.727 -1.783 -0.427 236 H MET 83 HN MET 83 -2.169 -7.452 -2.000 237 HA MET 83 HA MET 83 -0.918 -8.524 -4.279 238 1HB MET 83 HB1 MET 83 -1.598 -9.693 -2.030 239 2HB MET 83 HB2 MET 83 -3.276 -9.468 -2.422 240 1HG MET 83 HG1 MET 83 -3.546 -11.051 -3.871 241 2HG MET 83 HG2 MET 83 -1.902 -10.958 -4.529 242 1HE MET 83 HE2 MET 83 0.242 -12.112 -3.528 243 2HE MET 83 HE3 MET 83 0.089 -11.131 -2.030 244 3HE MET 83 HE1 MET 83 0.345 -12.895 -1.918 245 H LYS 84 HN LYS 84 -3.922 -7.070 -3.938 246 HA LYS 84 HA LYS 84 -4.867 -7.576 -6.490 247 1HB LYS 84 HB1 LYS 84 -4.779 -4.992 -4.787 248 2HB LYS 84 HB2 LYS 84 -5.478 -4.938 -6.440 249 1HG LYS 84 HG1 LYS 84 -7.246 -5.166 -4.862 250 2HG LYS 84 HG2 LYS 84 -7.093 -6.580 -5.948 251 1HD LYS 84 HD1 LYS 84 -6.216 -7.987 -4.208 252 2HD LYS 84 HD2 LYS 84 -5.830 -6.617 -3.177 253 1HE LYS 84 HE1 LYS 84 -8.196 -6.208 -2.642 254 2HE LYS 84 HE2 LYS 84 -8.739 -7.364 -3.928 255 1HZ LYS 84 HZ2 LYS 84 -6.922 -8.282 -1.810 256 2HZ LYS 84 HZ3 LYS 84 -8.601 -8.108 -1.496 257 3HZ LYS 84 HZ1 LYS 84 -8.043 -9.144 -2.730 258 H ALA 85 HN ALA 85 -3.163 -4.905 -5.486 259 HA ALA 85 HA ALA 85 -2.749 -3.908 -7.949 260 1HB ALA 85 HB2 ALA 85 -2.539 -2.815 -5.441 261 2HB ALA 85 HB3 ALA 85 -0.883 -3.561 -5.356 262 3HB ALA 85 HB1 ALA 85 -1.193 -2.197 -6.495 263 H LEU 86 HN LEU 86 -0.858 -6.297 -6.621 264 HA LEU 86 HA LEU 86 1.467 -5.788 -8.481 265 1HB LEU 86 HB1 LEU 86 1.142 -7.520 -5.978 266 2HB LEU 86 HB2 LEU 86 2.590 -7.225 -6.746 267 HG LEU 86 HG LEU 86 0.827 -4.911 -5.625 268 1HD1 LEU 86 HD22 LEU 86 1.109 -6.546 -3.918 269 2HD1 LEU 86 HD23 LEU 86 2.898 -6.252 -3.974 270 3HD1 LEU 86 HD21 LEU 86 1.736 -4.898 -3.567 271 1HD2 LEU 86 HD13 LEU 86 2.531 -4.162 -7.176 272 2HD2 LEU 86 HD11 LEU 86 2.788 -3.550 -5.504 273 3HD2 LEU 86 HD12 LEU 86 3.813 -4.914 -6.147 274 H LYS 87 HN LYS 87 -0.599 -8.257 -6.962 275 HA LYS 87 HA LYS 87 -0.130 -10.291 -8.607 276 1HB LYS 87 HB1 LYS 87 -2.076 -9.728 -6.825 277 2HB LYS 87 HB2 LYS 87 -3.050 -9.278 -8.229 278 1HG LYS 87 HG1 LYS 87 -1.557 -11.965 -8.032 279 2HG LYS 87 HG2 LYS 87 -2.921 -11.640 -6.947 280 1HD LYS 87 HD1 LYS 87 -4.380 -11.170 -9.019 281 2HD LYS 87 HD2 LYS 87 -3.001 -11.636 -10.037 282 1HE LYS 87 HE1 LYS 87 -4.456 -13.562 -9.907 283 2HE LYS 87 HE2 LYS 87 -3.002 -13.940 -8.897 284 1HZ LYS 87 HZ3 LYS 87 -4.265 -13.256 -6.965 285 2HZ LYS 87 HZ1 LYS 87 -5.618 -12.916 -7.926 286 3HZ LYS 87 HZ2 LYS 87 -5.047 -14.513 -7.802 287 H VAL 88 HN VAL 88 -2.321 -7.611 -9.327 288 HA VAL 88 HA VAL 88 -2.947 -8.311 -11.906 289 HB VAL 88 HB VAL 88 -3.989 -6.423 -10.587 290 1HG1 VAL 88 HG13 VAL 88 -1.788 -5.368 -9.908 291 2HG1 VAL 88 HG11 VAL 88 -1.710 -4.665 -11.591 292 3HG1 VAL 88 HG12 VAL 88 -3.058 -4.214 -10.584 293 1HG2 VAL 88 HG23 VAL 88 -4.379 -6.499 -13.097 294 2HG2 VAL 88 HG21 VAL 88 -4.336 -4.807 -12.415 295 3HG2 VAL 88 HG22 VAL 88 -2.919 -5.406 -13.285 296 H ARG 89 HN ARG 89 0.073 -7.041 -10.672 297 HA ARG 89 HA ARG 89 1.179 -6.404 -13.301 298 1HB ARG 89 HB1 ARG 89 2.543 -6.672 -10.589 299 2HB ARG 89 HB2 ARG 89 3.154 -5.871 -11.994 300 1HG ARG 89 HG1 ARG 89 0.900 -4.472 -11.767 301 2HG ARG 89 HG2 ARG 89 0.823 -5.079 -10.203 302 1HD ARG 89 HD1 ARG 89 3.031 -4.324 -9.488 303 2HD ARG 89 HD2 ARG 89 3.364 -3.625 -11.113 304 HE ARG 89 HE ARG 89 1.109 -2.761 -9.202 305 1HH1 ARG 89 HH22 ARG 89 2.352 -2.521 -12.404 306 2HH1 ARG 89 HH21 ARG 89 1.627 -0.975 -12.700 307 1HH2 ARG 89 HH12 ARG 89 0.592 -0.486 -9.384 308 2HH2 ARG 89 HH11 ARG 89 0.553 0.152 -10.990 309 H GLY 90 HN GLY 90 1.520 -8.751 -10.687 310 1HA GLY 90 HA2 GLY 90 2.045 -11.045 -11.113 311 2HA GLY 90 HA1 GLY 90 3.041 -10.569 -12.526 312 H LEU 91 HN LEU 91 2.965 -8.706 -9.502 313 HA LEU 91 HA LEU 91 5.808 -9.372 -9.152 314 1HB LEU 91 HB1 LEU 91 4.065 -7.030 -8.196 315 2HB LEU 91 HB2 LEU 91 5.751 -7.280 -7.695 316 HG LEU 91 HG LEU 91 4.639 -6.381 -10.359 317 1HD1 LEU 91 HD23 LEU 91 5.600 -4.757 -8.740 318 2HD1 LEU 91 HD21 LEU 91 7.181 -5.617 -8.836 319 3HD1 LEU 91 HD22 LEU 91 6.496 -4.820 -10.309 320 1HD2 LEU 91 HD11 LEU 91 7.216 -7.996 -10.133 321 2HD2 LEU 91 HD12 LEU 91 5.763 -8.328 -11.155 322 3HD2 LEU 91 HD13 LEU 91 6.788 -6.889 -11.510 323 H GLN 92 HN GLN 92 6.459 -9.026 -6.715 324 HA GLN 92 HA GLN 92 4.553 -10.645 -5.115 325 1HB GLN 92 HB1 GLN 92 7.562 -10.518 -4.745 326 2HB GLN 92 HB2 GLN 92 6.407 -11.573 -3.915 327 1HG GLN 92 HG1 GLN 92 5.819 -12.532 -6.303 328 2HG GLN 92 HG2 GLN 92 7.201 -11.683 -6.909 329 1HE2 GLN 92 HE21 GLN 92 9.344 -14.088 -4.811 330 2HE2 GLN 92 HE22 GLN 92 9.426 -12.682 -5.761 331 HA PRO 93 HA PRO 93 5.101 -7.067 -2.635 332 1HB PRO 93 HB1 PRO 93 3.226 -7.756 -0.716 333 2HB PRO 93 HB2 PRO 93 2.871 -6.881 -2.150 334 1HG PRO 93 HG1 PRO 93 2.290 -9.718 -1.520 335 2HG PRO 93 HG2 PRO 93 1.495 -8.670 -2.682 336 1HD PRO 93 HD1 PRO 93 3.268 -10.721 -3.319 337 2HD PRO 93 HD2 PRO 93 2.921 -9.369 -4.377 338 H GLU 94 HN GLU 94 5.334 -10.455 -1.710 339 HA GLU 94 HA GLU 94 5.815 -10.003 1.021 340 1HB GLU 94 HB1 GLU 94 6.654 -12.370 -0.744 341 2HB GLU 94 HB2 GLU 94 6.785 -12.353 1.022 342 1HG GLU 94 HG1 GLU 94 4.764 -13.538 0.620 343 2HG GLU 94 HG2 GLU 94 4.255 -11.898 1.189 344 H CYS 95 HN CYS 95 7.776 -9.381 -1.721 345 HA CYS 95 HA CYS 95 10.241 -9.743 -0.175 346 1HB CYS 95 HB1 CYS 95 9.804 -10.514 -2.684 347 2HB CYS 95 HB2 CYS 95 10.062 -8.808 -3.067 348 HG1 CYS 95 HG1 CYS 95 12.383 -8.660 -1.696 349 H CYS 96 HN CYS 96 7.950 -7.450 -0.215 350 HA CYS 96 HA CYS 96 9.916 -5.243 -0.356 351 1HB CYS 96 HB1 CYS 96 7.001 -5.481 -1.342 352 2HB CYS 96 HB2 CYS 96 7.793 -3.957 -1.205 353 HG1 CYS 96 HG1 CYS 96 9.864 -4.468 -2.747 354 H ALA 97 HN ALA 97 8.703 -3.184 0.520 355 HA ALA 97 HA ALA 97 7.202 -3.874 2.957 356 1HB ALA 97 HB1 ALA 97 9.424 -1.758 2.817 357 2HB ALA 97 HB2 ALA 97 8.234 -1.887 4.124 358 3HB ALA 97 HB3 ALA 97 9.388 -3.248 3.895 359 H VAL 98 HN VAL 98 5.371 -2.611 3.102 360 HA VAL 98 HA VAL 98 5.058 -0.572 1.015 361 HB VAL 98 HB VAL 98 3.355 -2.228 0.882 362 1HG1 VAL 98 HG11 VAL 98 3.597 -2.313 3.813 363 2HG1 VAL 98 HG12 VAL 98 1.944 -2.235 3.283 364 3HG1 VAL 98 HG13 VAL 98 3.048 -3.551 2.596 365 1HG2 VAL 98 HG23 VAL 98 2.606 0.215 0.804 366 2HG2 VAL 98 HG21 VAL 98 1.362 -1.024 1.130 367 3HG2 VAL 98 HG22 VAL 98 1.973 -0.075 2.508 368 H PHE 99 HN PHE 99 4.000 1.429 1.590 369 HA PHE 99 HA PHE 99 4.346 2.248 4.396 370 1HB PHE 99 HB1 PHE 99 5.857 3.327 1.941 371 2HB PHE 99 HB2 PHE 99 5.455 4.413 3.223 372 HD1 PHE 99 HD2 PHE 99 6.997 1.236 1.987 373 HD2 PHE 99 HD1 PHE 99 7.057 3.887 5.376 374 HE1 PHE 99 HE2 PHE 99 9.216 0.472 2.591 375 HE2 PHE 99 HE1 PHE 99 9.226 3.085 5.934 376 HZ PHE 99 HZ PHE 99 10.478 1.935 4.162 377 H ARG 100 HN ARG 100 3.562 4.539 4.650 378 HA ARG 100 HA ARG 100 1.584 5.473 2.566 379 1HB ARG 100 HB1 ARG 100 0.194 5.240 4.047 380 2HB ARG 100 HB2 ARG 100 1.417 5.272 5.347 381 1HG ARG 100 HG1 ARG 100 1.847 7.668 5.021 382 2HG ARG 100 HG2 ARG 100 0.411 7.731 3.933 383 1HD ARG 100 HD1 ARG 100 -0.562 6.417 6.213 384 2HD ARG 100 HD2 ARG 100 0.828 7.207 6.922 385 HE ARG 100 HE ARG 100 -1.617 8.413 5.383 386 1HH1 ARG 100 HH22 ARG 100 1.441 9.215 6.841 387 2HH1 ARG 100 HH21 ARG 100 1.025 10.887 7.106 388 1HH2 ARG 100 HH12 ARG 100 -2.320 10.501 6.033 389 2HH2 ARG 100 HH11 ARG 100 -1.092 11.650 6.533 390 H LEU 101 HN LEU 101 2.019 7.459 1.781 391 HA LEU 101 HA LEU 101 4.760 8.033 1.771 392 1HB LEU 101 HB1 LEU 101 2.303 9.567 0.604 393 2HB LEU 101 HB2 LEU 101 3.984 10.058 0.251 394 HG LEU 101 HG LEU 101 2.655 7.429 -0.566 395 1HD1 LEU 101 HD22 LEU 101 2.188 9.526 -1.926 396 2HD1 LEU 101 HD23 LEU 101 3.942 9.550 -2.337 397 3HD1 LEU 101 HD21 LEU 101 2.932 8.127 -2.803 398 1HD2 LEU 101 HD12 LEU 101 5.580 8.161 -0.421 399 2HD2 LEU 101 HD13 LEU 101 4.733 6.598 -0.125 400 3HD2 LEU 101 HD11 LEU 101 4.990 7.253 -1.831 401 H LEU 102 HN LEU 102 5.330 10.603 1.687 402 HA LEU 102 HA LEU 102 5.212 11.508 4.402 403 1HB LEU 102 HB1 LEU 102 6.424 13.417 3.349 404 2HB LEU 102 HB2 LEU 102 7.157 11.872 3.902 405 HG LEU 102 HG LEU 102 7.974 12.657 1.746 406 1HD1 LEU 102 HD21 LEU 102 7.219 9.974 2.391 407 2HD1 LEU 102 HD22 LEU 102 7.250 10.264 0.584 408 3HD1 LEU 102 HD23 LEU 102 8.679 10.639 1.594 409 1HD2 LEU 102 HD11 LEU 102 5.126 12.369 0.800 410 2HD2 LEU 102 HD12 LEU 102 6.202 13.767 0.709 411 3HD2 LEU 102 HD13 LEU 102 6.574 12.318 -0.319 412 H HIS 103 HN HSP 103 2.664 11.748 4.395 413 HA HIS 103 HA HSP 103 1.862 14.139 2.931 414 1HB HIS 103 HB1 HSP 103 0.358 12.172 4.692 415 2HB HIS 103 HB2 HSP 103 -0.363 13.713 4.100 416 HD1 HIS 103 HD1 HSP 103 -1.864 11.438 3.135 417 HD2 HIS 103 HD2 HSP 103 1.448 12.957 1.034 418 HE1 HIS 103 HE1 HSP 103 -2.165 10.840 0.716 419 HE2 HIS 103 HE2 HSP 103 -0.251 11.859 -0.549 420 H GLU 104 HN GLU 104 3.237 13.254 6.013 421 HA GLU 104 HA GLU 104 2.873 16.054 6.832 422 1HB GLU 104 HB1 GLU 104 2.554 13.765 8.835 423 2HB GLU 104 HB2 GLU 104 2.360 15.494 9.126 424 1HG GLU 104 HG1 GLU 104 0.126 14.811 9.028 425 2HG GLU 104 HG2 GLU 104 0.399 15.443 7.360 426 H HIS 105 HN HSP 105 5.084 14.526 5.547 427 HA HIS 105 HA HSP 105 7.000 14.837 7.737 428 1HB HIS 105 HB1 HSP 105 7.523 12.522 5.903 429 2HB HIS 105 HB2 HSP 105 8.063 12.804 7.578 430 HD1 HIS 105 HD1 HSP 105 5.589 12.952 9.191 431 HD2 HIS 105 HD2 HSP 105 5.818 10.381 5.892 432 HE1 HIS 105 HE1 HSP 105 3.962 11.057 9.601 433 HE2 HIS 105 HE2 HSP 105 4.074 9.580 7.560 434 H LYS 106 HN LYS 106 9.289 14.940 6.724 435 HA LYS 106 HA LYS 106 8.986 16.632 4.448 436 1HB LYS 106 HB1 LYS 106 10.398 17.239 6.501 437 2HB LYS 106 HB2 LYS 106 11.482 15.903 6.075 438 1HG LYS 106 HG1 LYS 106 12.492 17.908 5.249 439 2HG LYS 106 HG2 LYS 106 11.895 17.062 3.814 440 1HD LYS 106 HD1 LYS 106 9.830 18.562 3.831 441 2HD LYS 106 HD2 LYS 106 10.498 19.427 5.240 442 1HE LYS 106 HE1 LYS 106 12.480 20.127 3.851 443 2HE LYS 106 HE2 LYS 106 11.792 19.226 2.438 444 1HZ LYS 106 HZ3 LYS 106 10.484 21.454 3.896 445 2HZ LYS 106 HZ1 LYS 106 11.248 21.546 2.382 446 3HZ LYS 106 HZ2 LYS 106 9.845 20.608 2.571 447 H GLY 107 HN GLY 107 10.555 13.621 5.340 448 1HA GLY 107 HA2 GLY 107 10.636 12.756 2.610 449 2HA GLY 107 HA1 GLY 107 12.249 13.229 3.262 450 H LYS 108 HN LYS 108 9.293 11.432 4.430 451 HA LYS 108 HA LYS 108 10.899 9.109 4.971 452 1HB LYS 108 HB1 LYS 108 9.664 10.705 7.229 453 2HB LYS 108 HB2 LYS 108 10.015 8.953 7.308 454 1HG LYS 108 HG1 LYS 108 12.442 9.802 6.423 455 2HG LYS 108 HG2 LYS 108 11.944 11.281 7.257 456 1HD LYS 108 HD1 LYS 108 11.996 8.352 8.354 457 2HD LYS 108 HD2 LYS 108 13.309 9.516 8.603 458 1HE LYS 108 HE1 LYS 108 11.763 11.019 9.916 459 2HE LYS 108 HE2 LYS 108 10.433 9.809 9.697 460 1HZ LYS 108 HZ2 LYS 108 13.055 9.319 10.999 461 2HZ LYS 108 HZ3 LYS 108 11.564 9.544 11.780 462 3HZ LYS 108 HZ1 LYS 108 11.810 8.185 10.792 463 H LYS 109 HN LYS 109 9.544 7.359 4.787 464 HA LYS 109 HA LYS 109 6.736 7.986 4.212 465 1HB LYS 109 HB1 LYS 109 8.684 5.889 3.273 466 2HB LYS 109 HB2 LYS 109 7.425 5.266 3.536 467 1HG LYS 109 HG1 LYS 109 6.763 7.699 1.898 468 2HG LYS 109 HG2 LYS 109 8.447 7.353 1.553 469 1HD LYS 109 HD1 LYS 109 6.072 5.448 1.120 470 2HD LYS 109 HD2 LYS 109 6.907 6.301 -0.106 471 1HE LYS 109 HE1 LYS 109 8.404 4.336 1.742 472 2HE LYS 109 HE2 LYS 109 7.607 3.816 0.204 473 1HZ LYS 109 HZ2 LYS 109 8.946 5.553 -0.905 474 2HZ LYS 109 HZ3 LYS 109 9.803 5.778 0.558 475 3HZ LYS 109 HZ1 LYS 109 9.837 4.274 -0.264 476 H ALA 110 HN ALA 110 5.268 6.555 5.220 477 HA ALA 110 HA ALA 110 6.188 6.031 7.995 478 1HB ALA 110 HB3 ALA 110 3.311 6.470 7.108 479 2HB ALA 110 HB1 ALA 110 3.855 5.907 8.744 480 3HB ALA 110 HB2 ALA 110 4.297 7.552 8.173 481 H ARG 111 HN ARG 111 6.363 3.760 8.517 482 HA ARG 111 HA ARG 111 5.862 2.150 6.179 483 1HB ARG 111 HB1 ARG 111 8.085 2.485 7.572 484 2HB ARG 111 HB2 ARG 111 7.237 1.459 8.786 485 1HG ARG 111 HG1 ARG 111 7.456 0.531 5.899 486 2HG ARG 111 HG2 ARG 111 8.842 0.417 6.988 487 1HD ARG 111 HD1 ARG 111 6.860 -0.561 8.632 488 2HD ARG 111 HD2 ARG 111 6.154 -0.979 7.078 489 HE ARG 111 HE ARG 111 9.061 -1.795 7.542 490 1HH1 ARG 111 HH22 ARG 111 5.772 -2.788 7.996 491 2HH1 ARG 111 HH21 ARG 111 6.202 -4.473 8.018 492 1HH2 ARG 111 HH12 ARG 111 9.473 -3.955 6.801 493 2HH2 ARG 111 HH11 ARG 111 8.340 -5.142 7.402 494 H LEU 112 HN LEU 112 4.598 0.421 6.263 495 HA LEU 112 HA LEU 112 2.630 0.499 8.480 496 1HB LEU 112 HB1 LEU 112 2.309 -0.312 5.548 497 2HB LEU 112 HB2 LEU 112 1.006 -0.281 6.786 498 HG LEU 112 HG LEU 112 2.536 2.174 5.986 499 1HD1 LEU 112 HD12 LEU 112 -0.181 1.167 5.001 500 2HD1 LEU 112 HD13 LEU 112 0.453 2.844 4.772 501 3HD1 LEU 112 HD11 LEU 112 1.311 1.460 4.021 502 1HD2 LEU 112 HD23 LEU 112 0.043 1.844 7.687 503 2HD2 LEU 112 HD21 LEU 112 1.681 2.404 8.208 504 3HD2 LEU 112 HD22 LEU 112 0.718 3.411 7.074 505 H ASP 113 HN ASP 113 1.230 -1.778 7.707 506 HA ASP 113 HA ASP 113 3.231 -3.839 8.225 507 1HB ASP 113 HB1 ASP 113 1.709 -3.368 10.222 508 2HB ASP 113 HB2 ASP 113 0.336 -3.965 9.189 509 H TRP 114 HN TRP 114 3.116 -5.573 6.804 510 HA TRP 114 HA TRP 114 1.628 -5.462 4.879 511 1HB TRP 114 HB1 TRP 114 3.405 -7.590 6.128 512 2HB TRP 114 HB2 TRP 114 2.237 -8.372 5.068 513 HD1 TRP 114 HD1 TRP 114 5.603 -7.891 4.476 514 HE1 TRP 114 HE1 TRP 114 6.241 -6.724 2.253 515 HE3 TRP 114 HE3 TRP 114 1.106 -6.284 3.356 516 HZ2 TRP 114 HZ2 TRP 114 4.662 -5.632 -0.005 517 HZ3 TRP 114 HZ3 TRP 114 0.595 -5.190 1.173 518 HH2 TRP 114 HH2 TRP 114 2.259 -5.182 -0.553 519 H ASN 115 HN ASN 115 0.331 -6.245 7.789 520 HA ASN 115 HA ASN 115 -2.079 -7.293 6.381 521 1HB ASN 115 HB1 ASN 115 -0.734 -8.247 8.670 522 2HB ASN 115 HB2 ASN 115 -1.847 -7.155 9.415 523 1HD2 ASN 115 HD21 ASN 115 -4.821 -8.944 8.297 524 2HD2 ASN 115 HD22 ASN 115 -4.221 -7.338 8.554 525 H THR 116 HN THR 116 -0.944 -4.414 6.571 526 HA THR 116 HA THR 116 -2.074 -3.466 8.730 527 HB THR 116 HB THR 116 -0.290 -2.284 6.976 528 HG1 THR 116 HG1 THR 116 -0.939 -0.949 9.182 529 1HG2 THR 116 HG21 THR 116 -2.568 -0.714 6.514 530 2HG2 THR 116 HG22 THR 116 -2.374 -0.293 8.245 531 3HG2 THR 116 HG23 THR 116 -1.063 0.113 7.062 532 H ASP 117 HN ASP 117 -3.913 -2.043 9.132 533 HA ASP 117 HA ASP 117 -6.271 -2.489 7.505 534 1HB ASP 117 HB1 ASP 117 -6.276 -2.033 10.022 535 2HB ASP 117 HB2 ASP 117 -5.791 -0.346 9.643 536 H ALA 118 HN ALA 118 -5.420 -1.874 5.454 537 HA ALA 118 HA ALA 118 -4.504 0.661 4.627 538 1HB ALA 118 HB1 ALA 118 -4.823 -1.677 3.447 539 2HB ALA 118 HB2 ALA 118 -6.541 -1.229 3.254 540 3HB ALA 118 HB3 ALA 118 -5.220 -0.232 2.473 541 H ALA 119 HN ALA 119 -7.655 -0.337 5.842 542 HA ALA 119 HA ALA 119 -9.194 1.796 4.622 543 1HB ALA 119 HB3 ALA 119 -9.046 -0.463 6.767 544 2HB ALA 119 HB1 ALA 119 -10.429 0.738 6.921 545 3HB ALA 119 HB2 ALA 119 -10.253 -0.307 5.456 546 H SER 120 HN SER 120 -6.762 1.665 7.115 547 HA SER 120 HA SER 120 -7.895 4.074 8.388 548 1HB SER 120 HB1 SER 120 -5.487 2.337 9.077 549 2HB SER 120 HB2 SER 120 -5.926 3.871 9.920 550 HG SER 120 HG1 SER 120 -7.635 1.601 9.631 551 H LEU 121 HN LEU 121 -5.812 3.070 5.828 552 HA LEU 121 HA LEU 121 -4.325 5.652 5.901 553 1HB LEU 121 HB1 LEU 121 -3.843 3.223 4.096 554 2HB LEU 121 HB2 LEU 121 -2.846 4.621 4.218 555 HG LEU 121 HG LEU 121 -1.637 3.131 5.570 556 1HD1 LEU 121 HD23 LEU 121 -2.176 5.112 7.000 557 2HD1 LEU 121 HD21 LEU 121 -3.637 4.305 7.590 558 3HD1 LEU 121 HD22 LEU 121 -2.020 3.574 7.980 559 1HD2 LEU 121 HD11 LEU 121 -4.361 1.950 6.180 560 2HD2 LEU 121 HD12 LEU 121 -2.841 1.149 5.655 561 3HD2 LEU 121 HD13 LEU 121 -3.043 1.716 7.380 562 H ILE 122 HN ILE 122 -6.888 4.246 4.961 563 HA ILE 122 HA ILE 122 -7.356 4.732 2.438 564 HB ILE 122 HB ILE 122 -9.094 3.988 4.329 565 1HG1 ILE 122 HG11 ILE 122 -10.928 4.207 2.490 566 2HG1 ILE 122 HG12 ILE 122 -9.455 4.564 1.464 567 1HG2 ILE 122 HG21 ILE 122 -9.667 6.267 5.113 568 2HG2 ILE 122 HG22 ILE 122 -10.293 6.645 3.436 569 3HG2 ILE 122 HG23 ILE 122 -11.091 5.388 4.394 570 1HD1 ILE 122 HD2 ILE 122 -8.428 2.469 2.604 571 2HD1 ILE 122 HD3 ILE 122 -10.230 2.000 2.613 572 3HD1 ILE 122 HD1 ILE 122 -9.404 2.420 1.106 573 H GLY 123 HN GLY 123 -8.085 6.260 1.071 574 1HA GLY 123 HA2 GLY 123 -8.124 8.317 0.117 575 2HA GLY 123 HA1 GLY 123 -8.510 8.928 1.762 576 H GLU 124 HN GLU 124 -5.488 7.216 0.792 577 HA GLU 124 HA GLU 124 -4.039 9.779 1.120 578 1HB GLU 124 HB1 GLU 124 -3.164 7.060 2.178 579 2HB GLU 124 HB2 GLU 124 -2.319 8.613 2.367 580 1HG GLU 124 HG1 GLU 124 -5.186 8.252 3.447 581 2HG GLU 124 HG2 GLU 124 -3.836 7.517 4.295 582 H GLU 125 HN GLU 125 -1.530 8.545 0.764 583 HA GLU 125 HA GLU 125 -1.762 7.223 -1.864 584 1HB GLU 125 HB1 GLU 125 0.169 9.466 -1.194 585 2HB GLU 125 HB2 GLU 125 0.456 8.274 -2.497 586 1HG GLU 125 HG1 GLU 125 -1.052 9.021 -3.951 587 2HG GLU 125 HG2 GLU 125 -2.231 9.466 -2.711 588 H LEU 126 HN LEU 126 -0.700 5.359 -1.883 589 HA LEU 126 HA LEU 126 0.989 4.840 0.458 590 1HB LEU 126 HB1 LEU 126 -0.569 2.945 -1.398 591 2HB LEU 126 HB2 LEU 126 0.728 2.347 -0.340 592 HG LEU 126 HG LEU 126 -2.084 2.964 0.266 593 1HD1 LEU 126 HD22 LEU 126 -0.992 0.799 0.775 594 2HD1 LEU 126 HD23 LEU 126 0.125 1.624 1.930 595 3HD1 LEU 126 HD21 LEU 126 -1.651 1.584 2.261 596 1HD2 LEU 126 HD12 LEU 126 -1.293 5.087 1.213 597 2HD2 LEU 126 HD13 LEU 126 -1.847 3.960 2.469 598 3HD2 LEU 126 HD11 LEU 126 -0.090 4.143 2.265 599 H GLN 127 HN GLN 127 2.863 3.296 -0.019 600 HA GLN 127 HA GLN 127 3.597 3.229 -2.811 601 1HB GLN 127 HB1 GLN 127 4.697 5.375 -1.856 602 2HB GLN 127 HB2 GLN 127 5.684 4.278 -0.859 603 1HG GLN 127 HG1 GLN 127 5.949 3.250 -3.513 604 2HG GLN 127 HG2 GLN 127 5.811 5.047 -3.768 605 1HE2 GLN 127 HE21 GLN 127 9.292 3.674 -2.313 606 2HE2 GLN 127 HE22 GLN 127 8.037 2.599 -2.849 607 H VAL 128 HN VAL 128 5.208 1.555 -3.180 608 HA VAL 128 HA VAL 128 5.664 -0.130 -0.782 609 HB VAL 128 HB VAL 128 5.178 -0.930 -3.658 610 1HG1 VAL 128 HG11 VAL 128 6.375 -2.627 -1.363 611 2HG1 VAL 128 HG12 VAL 128 5.794 -3.263 -2.949 612 3HG1 VAL 128 HG13 VAL 128 7.217 -2.182 -2.913 613 1HG2 VAL 128 HG21 VAL 128 3.205 -0.837 -2.146 614 2HG2 VAL 128 HG22 VAL 128 3.596 -2.478 -2.773 615 3HG2 VAL 128 HG23 VAL 128 4.013 -2.037 -1.052 616 H ASP 129 HN ASP 129 7.773 -0.766 -0.402 617 HA ASP 129 HA ASP 129 9.750 0.251 -2.325 618 1HB ASP 129 HB1 ASP 129 9.249 1.515 0.175 619 2HB ASP 129 HB2 ASP 129 10.582 0.370 0.567 620 H PHE 130 HN PHE 130 12.052 -0.660 -1.048 621 HA PHE 130 HA PHE 130 11.588 -3.476 -1.312 622 1HB PHE 130 HB1 PHE 130 13.740 -2.126 -2.070 623 2HB PHE 130 HB2 PHE 130 14.224 -2.234 -0.343 624 HD1 PHE 130 HD2 PHE 130 13.137 -4.147 -3.418 625 HD2 PHE 130 HD1 PHE 130 15.138 -4.395 0.362 626 HE1 PHE 130 HE2 PHE 130 13.722 -6.475 -3.872 627 HE2 PHE 130 HE1 PHE 130 15.740 -6.715 -0.129 628 HZ PHE 130 HZ PHE 130 15.015 -7.773 -2.227 629 H LEU 131 HN LEU 131 12.476 -4.994 0.401 630 HA LEU 131 HA LEU 131 11.264 -4.632 2.749 631 1HB LEU 131 HB1 LEU 131 13.458 -6.494 1.858 632 2HB LEU 131 HB2 LEU 131 13.080 -6.385 3.626 633 HG LEU 131 HG LEU 131 10.850 -6.853 1.614 634 1HD1 LEU 131 HD23 LEU 131 12.706 -8.988 2.762 635 2HD1 LEU 131 HD21 LEU 131 11.090 -9.297 2.038 636 3HD1 LEU 131 HD22 LEU 131 12.433 -8.567 1.033 637 1HD2 LEU 131 HD11 LEU 131 10.263 -6.219 3.942 638 2HD2 LEU 131 HD12 LEU 131 9.687 -7.857 3.451 639 3HD2 LEU 131 HD13 LEU 131 11.128 -7.684 4.536 640 H ASP 132 HN ASP 132 11.632 -3.226 3.954 641 HA ASP 132 HA ASP 132 13.870 -1.735 4.423 642 1HB ASP 132 HB1 ASP 132 12.766 -0.596 6.355 643 2HB ASP 132 HB2 ASP 132 11.693 -0.734 4.906 No H/Q in entry = 643 Start of MODEL 3 1 1H SER 55 HT1 SER 55 -13.858 7.060 3.117 2 2H SER 55 HT3 SER 55 -12.203 7.233 3.342 3 3H SER 55 HT2 SER 55 -13.109 8.544 2.730 4 HA SER 55 HA SER 55 -13.522 7.462 0.723 5 1HB SER 55 HB1 SER 55 -11.115 8.460 1.238 6 2HB SER 55 HB2 SER 55 -10.592 6.741 1.314 7 HG SER 55 HG1 SER 55 -11.632 8.246 -0.835 8 H ASN 56 HN ASN 56 -12.350 5.536 -0.662 9 HA ASN 56 HA ASN 56 -12.148 3.097 0.906 10 1HB ASN 56 HB1 ASN 56 -14.606 3.298 0.299 11 2HB ASN 56 HB2 ASN 56 -14.099 3.185 -1.429 12 1HD2 ASN 56 HD21 ASN 56 -13.788 -0.392 -1.070 13 2HD2 ASN 56 HD22 ASN 56 -13.860 0.986 -2.114 14 H THR 57 HN THR 57 -10.571 5.130 -0.731 15 HA THR 57 HA THR 57 -9.565 3.226 -2.759 16 HB THR 57 HB THR 57 -9.248 4.996 -4.371 17 HG1 THR 57 HG1 THR 57 -10.457 6.597 -2.341 18 1HG2 THR 57 HG21 THR 57 -11.555 3.924 -4.356 19 2HG2 THR 57 HG22 THR 57 -12.131 5.275 -3.305 20 3HG2 THR 57 HG23 THR 57 -11.540 5.624 -4.973 21 H ILE 58 HN ILE 58 -7.334 3.105 -2.807 22 HA ILE 58 HA ILE 58 -5.888 5.294 -1.509 23 HB ILE 58 HB ILE 58 -4.699 2.618 -0.992 24 1HG1 ILE 58 HG11 ILE 58 -7.109 3.435 0.658 25 2HG1 ILE 58 HG12 ILE 58 -7.008 2.057 -0.466 26 1HG2 ILE 58 HG23 ILE 58 -3.559 4.696 -0.291 27 2HG2 ILE 58 HG21 ILE 58 -4.972 5.123 0.762 28 3HG2 ILE 58 HG22 ILE 58 -3.995 3.661 1.115 29 1HD1 ILE 58 HD3 ILE 58 -5.050 1.126 0.846 30 2HD1 ILE 58 HD1 ILE 58 -5.369 2.398 2.096 31 3HD1 ILE 58 HD2 ILE 58 -6.630 1.169 1.723 32 H ARG 59 HN ARG 59 -3.630 5.441 -2.390 33 HA ARG 59 HA ARG 59 -3.626 4.180 -5.038 34 1HB ARG 59 HB1 ARG 59 -2.235 6.649 -3.939 35 2HB ARG 59 HB2 ARG 59 -2.023 5.995 -5.580 36 1HG ARG 59 HG1 ARG 59 -3.868 6.977 -6.331 37 2HG ARG 59 HG2 ARG 59 -4.862 6.186 -5.193 38 1HD ARG 59 HD1 ARG 59 -4.022 8.026 -3.417 39 2HD ARG 59 HD2 ARG 59 -3.610 8.964 -4.907 40 HE ARG 59 HE ARG 59 -5.985 8.751 -5.635 41 1HH1 ARG 59 HH22 ARG 59 -5.502 7.420 -2.401 42 2HH1 ARG 59 HH21 ARG 59 -7.147 6.886 -2.303 43 1HH2 ARG 59 HH12 ARG 59 -8.192 8.692 -5.099 44 2HH2 ARG 59 HH11 ARG 59 -8.686 7.636 -3.813 45 H VAL 60 HN VAL 60 -1.766 3.169 -5.787 46 HA VAL 60 HA VAL 60 0.123 2.451 -3.597 47 HB VAL 60 HB VAL 60 -0.522 0.558 -5.854 48 1HG1 VAL 60 HG11 VAL 60 1.619 0.257 -4.605 49 2HG1 VAL 60 HG12 VAL 60 0.681 0.072 -3.080 50 3HG1 VAL 60 HG13 VAL 60 0.466 -1.124 -4.422 51 1HG2 VAL 60 HG21 VAL 60 -1.878 0.581 -3.103 52 2HG2 VAL 60 HG22 VAL 60 -2.670 0.846 -4.706 53 3HG2 VAL 60 HG23 VAL 60 -1.941 -0.757 -4.318 54 H PHE 61 HN PHE 61 1.992 3.431 -4.050 55 HA PHE 61 HA PHE 61 2.656 3.882 -6.867 56 1HB PHE 61 HB1 PHE 61 3.589 5.032 -4.233 57 2HB PHE 61 HB2 PHE 61 4.708 5.074 -5.712 58 HD1 PHE 61 HD2 PHE 61 1.123 5.728 -4.659 59 HD2 PHE 61 HD1 PHE 61 4.434 6.935 -7.089 60 HE1 PHE 61 HE2 PHE 61 -0.110 7.715 -5.361 61 HE2 PHE 61 HE1 PHE 61 3.202 8.953 -7.730 62 HZ PHE 61 HZ PHE 61 0.936 9.354 -6.863 63 H LEU 62 HN LEU 62 4.560 2.953 -7.837 64 HA LEU 62 HA LEU 62 5.036 0.401 -6.479 65 1HB LEU 62 HB1 LEU 62 5.532 1.393 -9.307 66 2HB LEU 62 HB2 LEU 62 6.281 -0.114 -8.707 67 HG LEU 62 HG LEU 62 4.060 -0.325 -10.000 68 1HD1 LEU 62 HD13 LEU 62 5.155 -2.195 -8.804 69 2HD1 LEU 62 HD11 LEU 62 4.301 -1.713 -7.283 70 3HD1 LEU 62 HD12 LEU 62 3.355 -2.263 -8.717 71 1HD2 LEU 62 HD23 LEU 62 2.807 1.440 -8.754 72 2HD2 LEU 62 HD21 LEU 62 2.001 -0.173 -8.769 73 3HD2 LEU 62 HD22 LEU 62 2.861 0.384 -7.279 74 HA PRO 63 HA PRO 63 9.124 1.612 -5.677 75 1HB PRO 63 HB1 PRO 63 10.017 -1.109 -6.489 76 2HB PRO 63 HB2 PRO 63 10.326 -0.246 -5.004 77 1HG PRO 63 HG1 PRO 63 8.504 -2.321 -5.326 78 2HG PRO 63 HG2 PRO 63 8.366 -1.159 -4.066 79 1HD PRO 63 HD1 PRO 63 6.534 -1.445 -6.247 80 2HD PRO 63 HD2 PRO 63 6.467 -0.283 -5.009 81 H ASN 64 HN ASN 64 7.929 0.393 -8.703 82 HA ASN 64 HA ASN 64 10.362 1.167 -10.084 83 1HB ASN 64 HB1 ASN 64 8.489 -0.713 -10.776 84 2HB ASN 64 HB2 ASN 64 7.734 0.719 -11.564 85 1HD2 ASN 64 HD21 ASN 64 10.530 1.106 -13.897 86 2HD2 ASN 64 HD22 ASN 64 9.388 2.032 -12.979 87 H LYS 65 HN LYS 65 8.411 2.877 -8.312 88 HA LYS 65 HA LYS 65 8.037 5.010 -8.227 89 1HB LYS 65 HB1 LYS 65 8.956 5.436 -11.111 90 2HB LYS 65 HB2 LYS 65 8.870 6.643 -9.804 91 1HG LYS 65 HG1 LYS 65 10.670 4.170 -9.565 92 2HG LYS 65 HG2 LYS 65 11.197 5.578 -10.498 93 1HD LYS 65 HD1 LYS 65 11.265 7.003 -8.570 94 2HD LYS 65 HD2 LYS 65 10.184 5.957 -7.624 95 1HE LYS 65 HE1 LYS 65 11.925 4.192 -7.447 96 2HE LYS 65 HE2 LYS 65 13.063 5.211 -8.419 97 1HZ LYS 65 HZ1 LYS 65 11.802 5.964 -5.839 98 2HZ LYS 65 HZ2 LYS 65 13.406 5.454 -6.067 99 3HZ LYS 65 HZ3 LYS 65 12.872 6.917 -6.747 100 H GLN 66 HN GLN 66 6.531 2.895 -10.140 101 HA GLN 66 HA GLN 66 4.794 4.622 -11.351 102 1HB GLN 66 HB1 GLN 66 5.083 1.729 -11.327 103 2HB GLN 66 HB2 GLN 66 3.442 2.032 -11.114 104 1HG GLN 66 HG1 GLN 66 4.746 3.735 -13.257 105 2HG GLN 66 HG2 GLN 66 4.904 1.970 -13.530 106 1HE2 GLN 66 HE21 GLN 66 1.172 3.848 -13.576 107 2HE2 GLN 66 HE22 GLN 66 2.602 4.717 -13.179 108 H ARG 67 HN ARG 67 2.199 3.663 -11.065 109 HA ARG 67 HA ARG 67 1.430 4.087 -8.290 110 1HB ARG 67 HB1 ARG 67 0.120 6.130 -8.894 111 2HB ARG 67 HB2 ARG 67 1.865 6.357 -8.696 112 1HG ARG 67 HG1 ARG 67 0.890 5.734 -11.494 113 2HG ARG 67 HG2 ARG 67 0.393 7.275 -10.824 114 1HD ARG 67 HD1 ARG 67 2.572 8.155 -10.708 115 2HD ARG 67 HD2 ARG 67 3.328 6.554 -10.497 116 HE ARG 67 HE ARG 67 2.039 7.311 -13.149 117 1HH1 ARG 67 HH22 ARG 67 5.032 7.004 -11.338 118 2HH1 ARG 67 HH21 ARG 67 5.968 7.403 -12.725 119 1HH2 ARG 67 HH12 ARG 67 3.336 6.999 -15.004 120 2HH2 ARG 67 HH11 ARG 67 5.027 7.304 -14.819 121 H THR 68 HN THR 68 -0.952 4.179 -8.146 122 HA THR 68 HA THR 68 -2.630 3.793 -10.276 123 HB THR 68 HB THR 68 -1.573 1.573 -10.711 124 HG1 THR 68 HG1 THR 68 -3.575 0.384 -10.269 125 1HG2 THR 68 HG21 THR 68 -0.852 1.055 -8.316 126 2HG2 THR 68 HG22 THR 68 -2.590 0.790 -7.901 127 3HG2 THR 68 HG23 THR 68 -1.792 -0.279 -9.103 128 H VAL 69 HN VAL 69 -4.854 2.858 -9.356 129 HA VAL 69 HA VAL 69 -4.942 3.639 -6.496 130 HB VAL 69 HB VAL 69 -6.085 5.372 -7.518 131 1HG1 VAL 69 HG13 VAL 69 -6.391 4.477 -9.812 132 2HG1 VAL 69 HG11 VAL 69 -7.630 3.308 -9.194 133 3HG1 VAL 69 HG12 VAL 69 -7.945 5.084 -9.137 134 1HG2 VAL 69 HG21 VAL 69 -7.124 4.454 -5.529 135 2HG2 VAL 69 HG22 VAL 69 -8.255 5.294 -6.651 136 3HG2 VAL 69 HG23 VAL 69 -8.248 3.495 -6.585 137 H VAL 70 HN VAL 70 -6.032 2.279 -5.159 138 HA VAL 70 HA VAL 70 -7.241 -0.111 -6.433 139 HB VAL 70 HB VAL 70 -6.405 -1.487 -4.575 140 1HG1 VAL 70 HG12 VAL 70 -5.153 -1.522 -6.695 141 2HG1 VAL 70 HG13 VAL 70 -4.155 -0.129 -6.141 142 3HG1 VAL 70 HG11 VAL 70 -4.066 -1.714 -5.264 143 1HG2 VAL 70 HG22 VAL 70 -4.693 0.935 -3.802 144 2HG2 VAL 70 HG23 VAL 70 -6.043 0.210 -2.836 145 3HG2 VAL 70 HG21 VAL 70 -4.545 -0.738 -3.150 146 H ASN 71 HN ASN 71 -8.773 -1.200 -4.888 147 HA ASN 71 HA ASN 71 -10.037 0.859 -3.170 148 1HB ASN 71 HB1 ASN 71 -11.322 -1.245 -4.995 149 2HB ASN 71 HB2 ASN 71 -12.197 -0.483 -3.597 150 1HD2 ASN 71 HD21 ASN 71 -11.277 1.831 -6.917 151 2HD2 ASN 71 HD22 ASN 71 -10.383 0.380 -6.618 152 H VAL 72 HN VAL 72 -10.887 0.042 -1.183 153 HA VAL 72 HA VAL 72 -9.671 -2.545 -0.406 154 HB VAL 72 HB VAL 72 -10.772 -0.253 1.242 155 1HG1 VAL 72 HG12 VAL 72 -9.663 -2.973 2.138 156 2HG1 VAL 72 HG13 VAL 72 -9.883 -1.543 3.204 157 3HG1 VAL 72 HG11 VAL 72 -11.324 -2.282 2.446 158 1HG2 VAL 72 HG22 VAL 72 -7.927 -1.397 0.960 159 2HG2 VAL 72 HG23 VAL 72 -8.500 0.186 0.328 160 3HG2 VAL 72 HG21 VAL 72 -8.451 -0.120 2.118 161 H ARG 73 HN ARG 73 -11.044 -4.136 0.647 162 HA ARG 73 HA ARG 73 -13.916 -3.627 0.437 163 1HB ARG 73 HB1 ARG 73 -12.376 -5.614 -1.208 164 2HB ARG 73 HB2 ARG 73 -13.683 -6.325 -0.330 165 1HG ARG 73 HG1 ARG 73 -15.018 -5.693 -2.083 166 2HG ARG 73 HG2 ARG 73 -15.001 -4.079 -1.362 167 1HD ARG 73 HD1 ARG 73 -14.437 -3.791 -3.689 168 2HD ARG 73 HD2 ARG 73 -12.879 -3.577 -2.783 169 HE ARG 73 HE ARG 73 -13.675 -6.269 -3.960 170 1HH1 ARG 73 HH22 ARG 73 -12.382 -3.222 -4.812 171 2HH1 ARG 73 HH21 ARG 73 -11.473 -3.863 -6.136 172 1HH2 ARG 73 HH12 ARG 73 -12.092 -7.228 -5.331 173 2HH2 ARG 73 HH11 ARG 73 -11.359 -6.148 -6.466 174 H ASN 74 HN ASN 74 -15.047 -5.383 1.602 175 HA ASN 74 HA ASN 74 -15.395 -6.249 3.726 176 1HB ASN 74 HB1 ASN 74 -13.032 -7.902 2.767 177 2HB ASN 74 HB2 ASN 74 -14.510 -8.409 3.824 178 1HD2 ASN 74 HD21 ASN 74 -15.080 -9.539 0.326 179 2HD2 ASN 74 HD22 ASN 74 -13.779 -9.785 1.438 180 H GLY 75 HN GLY 75 -12.817 -7.623 4.976 181 1HA GLY 75 HA2 GLY 75 -11.575 -5.139 6.024 182 2HA GLY 75 HA1 GLY 75 -11.733 -6.723 6.843 183 H MET 76 HN MET 76 -10.668 -5.587 3.570 184 HA MET 76 HA MET 76 -8.771 -7.579 3.344 185 1HB MET 76 HB1 MET 76 -9.025 -4.862 1.968 186 2HB MET 76 HB2 MET 76 -7.675 -5.927 1.614 187 1HG MET 76 HG1 MET 76 -9.263 -7.803 0.994 188 2HG MET 76 HG2 MET 76 -10.599 -6.796 1.276 189 1HE MET 76 HE2 MET 76 -11.190 -7.526 -1.268 190 2HE MET 76 HE3 MET 76 -10.351 -6.947 -2.741 191 3HE MET 76 HE1 MET 76 -9.607 -8.230 -1.731 192 H SER 77 HN SER 77 -6.447 -7.446 3.302 193 HA SER 77 HA SER 77 -5.359 -5.720 5.468 194 1HB SER 77 HB1 SER 77 -3.881 -7.760 3.780 195 2HB SER 77 HB2 SER 77 -3.377 -7.097 5.202 196 HG SER 77 HG1 SER 77 -5.076 -9.242 4.808 197 H LEU 78 HN LEU 78 -3.274 -4.721 5.002 198 HA LEU 78 HA LEU 78 -2.685 -3.623 2.659 199 1HB LEU 78 HB1 LEU 78 -1.113 -4.634 5.001 200 2HB LEU 78 HB2 LEU 78 -0.140 -4.414 3.535 201 HG LEU 78 HG LEU 78 -0.136 -2.406 4.983 202 1HD1 LEU 78 HD23 LEU 78 -0.072 -2.526 2.269 203 2HD1 LEU 78 HD21 LEU 78 -1.631 -1.698 2.437 204 3HD1 LEU 78 HD22 LEU 78 -0.313 -0.863 3.193 205 1HD2 LEU 78 HD12 LEU 78 -3.026 -2.317 4.142 206 2HD2 LEU 78 HD13 LEU 78 -2.246 -1.979 5.711 207 3HD2 LEU 78 HD11 LEU 78 -2.052 -0.795 4.393 208 H HIS 79 HN HSP 79 -1.120 -6.676 3.623 209 HA HIS 79 HA HSP 79 -0.150 -7.378 1.290 210 1HB HIS 79 HB1 HSP 79 -1.147 -8.968 3.673 211 2HB HIS 79 HB2 HSP 79 -1.042 -9.920 2.203 212 HD1 HIS 79 HD1 HSP 79 0.752 -10.484 4.589 213 HD2 HIS 79 HD2 HSP 79 2.103 -7.890 1.655 214 HE1 HIS 79 HE1 HSP 79 3.293 -10.164 4.651 215 HE2 HIS 79 HE2 HSP 79 3.951 -9.046 2.632 216 H ASP 80 HN ASP 80 -3.480 -8.448 2.356 217 HA ASP 80 HA ASP 80 -3.951 -9.759 -0.077 218 1HB ASP 80 HB1 ASP 80 -6.027 -8.529 1.834 219 2HB ASP 80 HB2 ASP 80 -6.335 -9.811 0.606 220 H CYS 81 HN CYS 81 -4.297 -6.419 1.000 221 HA CYS 81 HA CYS 81 -5.879 -5.536 -1.160 222 1HB CYS 81 HB1 CYS 81 -5.629 -4.261 0.934 223 2HB CYS 81 HB2 CYS 81 -3.996 -4.389 0.992 224 HG1 CYS 81 HG1 CYS 81 -4.550 -2.984 -1.801 225 H LEU 82 HN LEU 82 -2.438 -5.358 -0.502 226 HA LEU 82 HA LEU 82 -1.832 -4.167 -3.004 227 1HB LEU 82 HB1 LEU 82 -0.114 -5.523 -0.839 228 2HB LEU 82 HB2 LEU 82 0.617 -4.821 -2.197 229 HG LEU 82 HG LEU 82 -0.467 -3.757 0.303 230 1HD1 LEU 82 HD13 LEU 82 0.947 -2.395 -2.141 231 2HD1 LEU 82 HD11 LEU 82 0.470 -1.416 -0.708 232 3HD1 LEU 82 HD12 LEU 82 1.689 -2.709 -0.506 233 1HD2 LEU 82 HD23 LEU 82 -1.916 -2.531 -1.964 234 2HD2 LEU 82 HD21 LEU 82 -2.498 -3.275 -0.429 235 3HD2 LEU 82 HD22 LEU 82 -1.631 -1.719 -0.348 236 H MET 83 HN MET 83 -1.547 -7.415 -1.682 237 HA MET 83 HA MET 83 -0.122 -8.745 -3.752 238 1HB MET 83 HB1 MET 83 -0.892 -9.733 -1.585 239 2HB MET 83 HB2 MET 83 -2.556 -9.433 -2.007 240 1HG MET 83 HG1 MET 83 -2.463 -11.611 -2.437 241 2HG MET 83 HG2 MET 83 -2.553 -10.845 -3.973 242 1HE MET 83 HE3 MET 83 -1.601 -12.998 -5.309 243 2HE MET 83 HE1 MET 83 -0.136 -13.926 -4.852 244 3HE MET 83 HE2 MET 83 -1.563 -13.915 -3.767 245 H LYS 84 HN LYS 84 -3.467 -7.464 -3.568 246 HA LYS 84 HA LYS 84 -4.697 -8.411 -5.976 247 1HB LYS 84 HB1 LYS 84 -6.079 -8.060 -4.751 248 2HB LYS 84 HB2 LYS 84 -5.107 -6.874 -3.820 249 1HG LYS 84 HG1 LYS 84 -5.196 -5.142 -5.476 250 2HG LYS 84 HG2 LYS 84 -6.312 -6.133 -6.422 251 1HD LYS 84 HD1 LYS 84 -7.147 -6.172 -3.692 252 2HD LYS 84 HD2 LYS 84 -6.436 -4.633 -3.781 253 1HE LYS 84 HE1 LYS 84 -8.095 -3.976 -5.675 254 2HE LYS 84 HE2 LYS 84 -8.653 -5.696 -5.754 255 1HZ LYS 84 HZ3 LYS 84 -9.232 -5.380 -3.329 256 2HZ LYS 84 HZ1 LYS 84 -9.087 -3.716 -3.606 257 3HZ LYS 84 HZ2 LYS 84 -10.226 -4.627 -4.485 258 H ALA 85 HN ALA 85 -2.902 -5.406 -5.055 259 HA ALA 85 HA ALA 85 -3.072 -4.241 -7.666 260 1HB ALA 85 HB2 ALA 85 -2.517 -3.193 -5.263 261 2HB ALA 85 HB3 ALA 85 -0.850 -3.914 -5.461 262 3HB ALA 85 HB1 ALA 85 -1.404 -2.650 -6.595 263 H LEU 86 HN LEU 86 -0.471 -6.060 -6.000 264 HA LEU 86 HA LEU 86 1.363 -5.717 -8.262 265 1HB LEU 86 HB1 LEU 86 1.454 -7.544 -5.821 266 2HB LEU 86 HB2 LEU 86 2.759 -7.183 -6.761 267 HG LEU 86 HG LEU 86 1.096 -4.888 -5.492 268 1HD1 LEU 86 HD23 LEU 86 1.192 -6.373 -3.834 269 2HD1 LEU 86 HD21 LEU 86 3.009 -6.390 -3.834 270 3HD1 LEU 86 HD22 LEU 86 2.041 -4.858 -3.473 271 1HD2 LEU 86 HD11 LEU 86 2.681 -4.200 -7.154 272 2HD2 LEU 86 HD12 LEU 86 2.909 -3.486 -5.536 273 3HD2 LEU 86 HD13 LEU 86 4.026 -4.823 -6.107 274 H LYS 87 HN LYS 87 -0.652 -8.141 -6.832 275 HA LYS 87 HA LYS 87 -0.221 -10.168 -8.430 276 1HB LYS 87 HB1 LYS 87 -2.784 -9.070 -7.315 277 2HB LYS 87 HB2 LYS 87 -3.178 -9.548 -8.816 278 1HG LYS 87 HG1 LYS 87 -1.577 -11.600 -7.232 279 2HG LYS 87 HG2 LYS 87 -3.205 -11.272 -6.722 280 1HD LYS 87 HD1 LYS 87 -3.993 -12.676 -8.401 281 2HD LYS 87 HD2 LYS 87 -3.337 -11.549 -9.615 282 1HE LYS 87 HE1 LYS 87 -1.746 -13.854 -8.303 283 2HE LYS 87 HE2 LYS 87 -2.481 -13.868 -9.956 284 1HZ LYS 87 HZ1 LYS 87 -1.136 -11.756 -10.295 285 2HZ LYS 87 HZ2 LYS 87 -0.249 -12.241 -8.940 286 3HZ LYS 87 HZ3 LYS 87 -0.327 -13.253 -10.304 287 H VAL 88 HN VAL 88 -2.414 -7.630 -9.438 288 HA VAL 88 HA VAL 88 -2.757 -8.070 -12.052 289 HB VAL 88 HB VAL 88 -1.909 -5.333 -10.872 290 1HG1 VAL 88 HG12 VAL 88 -3.621 -5.804 -13.324 291 2HG1 VAL 88 HG13 VAL 88 -3.256 -4.235 -12.484 292 3HG1 VAL 88 HG11 VAL 88 -1.911 -5.125 -13.242 293 1HG2 VAL 88 HG21 VAL 88 -4.510 -6.834 -10.658 294 2HG2 VAL 88 HG22 VAL 88 -3.643 -5.726 -9.503 295 3HG2 VAL 88 HG23 VAL 88 -4.527 -5.024 -10.862 296 H ARG 89 HN ARG 89 0.137 -6.604 -10.609 297 HA ARG 89 HA ARG 89 1.406 -6.185 -13.101 298 1HB ARG 89 HB1 ARG 89 2.487 -6.204 -10.221 299 2HB ARG 89 HB2 ARG 89 3.250 -5.405 -11.577 300 1HG ARG 89 HG1 ARG 89 0.422 -4.546 -11.317 301 2HG ARG 89 HG2 ARG 89 1.085 -4.493 -9.773 302 1HD ARG 89 HD1 ARG 89 3.036 -3.018 -10.972 303 2HD ARG 89 HD2 ARG 89 2.028 -3.199 -12.472 304 HE ARG 89 HE ARG 89 0.872 -1.978 -9.944 305 1HH1 ARG 89 HH22 ARG 89 2.494 -1.384 -12.957 306 2HH1 ARG 89 HH21 ARG 89 2.086 0.301 -12.969 307 1HH2 ARG 89 HH12 ARG 89 -0.123 0.073 -10.238 308 2HH2 ARG 89 HH11 ARG 89 0.599 1.135 -11.396 309 H GLY 90 HN GLY 90 1.629 -8.603 -10.490 310 1HA GLY 90 HA2 GLY 90 2.257 -10.814 -10.951 311 2HA GLY 90 HA1 GLY 90 3.316 -10.277 -12.294 312 H LEU 91 HN LEU 91 3.020 -8.582 -9.174 313 HA LEU 91 HA LEU 91 5.883 -9.186 -8.743 314 1HB LEU 91 HB1 LEU 91 4.115 -6.793 -8.002 315 2HB LEU 91 HB2 LEU 91 5.708 -7.077 -7.259 316 HG LEU 91 HG LEU 91 4.895 -6.083 -9.983 317 1HD1 LEU 91 HD22 LEU 91 5.972 -4.613 -8.314 318 2HD1 LEU 91 HD23 LEU 91 7.440 -5.663 -8.332 319 3HD1 LEU 91 HD21 LEU 91 6.946 -4.773 -9.827 320 1HD2 LEU 91 HD12 LEU 91 7.282 -7.968 -9.755 321 2HD2 LEU 91 HD13 LEU 91 5.811 -8.123 -10.808 322 3HD2 LEU 91 HD11 LEU 91 6.983 -6.795 -11.105 323 H GLN 92 HN GLN 92 6.463 -8.962 -6.322 324 HA GLN 92 HA GLN 92 4.449 -10.540 -4.828 325 1HB GLN 92 HB1 GLN 92 7.494 -10.428 -4.649 326 2HB GLN 92 HB2 GLN 92 6.512 -11.093 -3.371 327 1HG GLN 92 HG1 GLN 92 5.529 -12.404 -5.745 328 2HG GLN 92 HG2 GLN 92 7.193 -12.119 -6.160 329 1HE2 GLN 92 HE21 GLN 92 6.689 -14.923 -3.221 330 2HE2 GLN 92 HE22 GLN 92 5.397 -13.887 -3.474 331 HA PRO 93 HA PRO 93 4.798 -7.058 -2.197 332 1HB PRO 93 HB1 PRO 93 3.083 -7.827 -0.246 333 2HB PRO 93 HB2 PRO 93 2.522 -7.227 -1.788 334 1HG PRO 93 HG1 PRO 93 2.597 -10.056 -0.859 335 2HG PRO 93 HG2 PRO 93 1.410 -9.250 -1.841 336 1HD PRO 93 HD1 PRO 93 3.356 -10.918 -2.861 337 2HD PRO 93 HD2 PRO 93 2.736 -9.578 -3.793 338 H GLU 94 HN GLU 94 5.280 -10.481 -1.272 339 HA GLU 94 HA GLU 94 5.938 -9.880 1.418 340 1HB GLU 94 HB1 GLU 94 6.942 -12.340 -0.088 341 2HB GLU 94 HB2 GLU 94 6.657 -12.173 1.651 342 1HG GLU 94 HG1 GLU 94 4.686 -13.256 1.221 343 2HG GLU 94 HG2 GLU 94 4.093 -11.623 0.715 344 H CYS 95 HN CYS 95 7.627 -9.476 -1.561 345 HA CYS 95 HA CYS 95 10.233 -9.728 -0.266 346 1HB CYS 95 HB1 CYS 95 9.549 -10.540 -2.708 347 2HB CYS 95 HB2 CYS 95 9.753 -8.836 -3.138 348 HG1 CYS 95 HG1 CYS 95 12.198 -8.663 -1.995 349 H CYS 96 HN CYS 96 7.886 -7.453 -0.162 350 HA CYS 96 HA CYS 96 9.836 -5.250 -0.387 351 1HB CYS 96 HB1 CYS 96 6.923 -5.523 -1.385 352 2HB CYS 96 HB2 CYS 96 7.650 -3.976 -1.203 353 HG1 CYS 96 HG1 CYS 96 9.690 -4.288 -2.785 354 H ALA 97 HN ALA 97 8.577 -3.184 0.478 355 HA ALA 97 HA ALA 97 7.066 -3.892 2.896 356 1HB ALA 97 HB3 ALA 97 9.346 -1.831 2.824 357 2HB ALA 97 HB1 ALA 97 8.114 -1.934 4.100 358 3HB ALA 97 HB2 ALA 97 9.208 -3.326 3.913 359 H VAL 98 HN VAL 98 5.289 -2.565 3.098 360 HA VAL 98 HA VAL 98 4.984 -0.516 1.035 361 HB VAL 98 HB VAL 98 3.226 -2.159 1.048 362 1HG1 VAL 98 HG12 VAL 98 3.617 -2.147 3.936 363 2HG1 VAL 98 HG13 VAL 98 1.934 -1.971 3.522 364 3HG1 VAL 98 HG11 VAL 98 2.898 -3.383 2.820 365 1HG2 VAL 98 HG23 VAL 98 2.558 0.266 0.804 366 2HG2 VAL 98 HG21 VAL 98 1.277 -0.886 1.309 367 3HG2 VAL 98 HG22 VAL 98 1.999 0.168 2.548 368 H PHE 99 HN PHE 99 4.000 1.536 1.637 369 HA PHE 99 HA PHE 99 4.564 2.361 4.411 370 1HB PHE 99 HB1 PHE 99 5.836 3.471 1.830 371 2HB PHE 99 HB2 PHE 99 5.629 4.496 3.139 372 HD1 PHE 99 HD2 PHE 99 7.049 1.365 1.702 373 HD2 PHE 99 HD1 PHE 99 7.222 3.739 5.281 374 HE1 PHE 99 HE2 PHE 99 9.282 0.520 2.200 375 HE2 PHE 99 HE1 PHE 99 9.343 2.789 5.783 376 HZ PHE 99 HZ PHE 99 10.587 1.782 3.917 377 H ARG 100 HN ARG 100 3.722 4.454 4.852 378 HA ARG 100 HA ARG 100 1.663 5.499 2.961 379 1HB ARG 100 HB1 ARG 100 2.341 6.145 5.799 380 2HB ARG 100 HB2 ARG 100 1.543 7.298 4.771 381 1HG ARG 100 HG1 ARG 100 -0.381 6.007 4.286 382 2HG ARG 100 HG2 ARG 100 0.313 4.541 4.964 383 1HD ARG 100 HD1 ARG 100 -0.956 5.032 6.748 384 2HD ARG 100 HD2 ARG 100 0.525 5.889 7.251 385 HE ARG 100 HE ARG 100 -1.947 7.169 5.939 386 1HH1 ARG 100 HH22 ARG 100 1.265 7.651 7.289 387 2HH1 ARG 100 HH21 ARG 100 1.147 9.387 7.201 388 1HH2 ARG 100 HH12 ARG 100 -2.213 9.410 6.123 389 2HH2 ARG 100 HH11 ARG 100 -0.844 10.378 6.628 390 H LEU 101 HN LEU 101 2.211 7.377 1.812 391 HA LEU 101 HA LEU 101 5.020 7.884 1.704 392 1HB LEU 101 HB1 LEU 101 2.465 9.111 0.414 393 2HB LEU 101 HB2 LEU 101 4.008 9.843 0.092 394 HG LEU 101 HG LEU 101 3.528 6.831 -0.385 395 1HD1 LEU 101 HD21 LEU 101 2.822 9.020 -2.348 396 2HD1 LEU 101 HD22 LEU 101 2.927 7.240 -2.683 397 3HD1 LEU 101 HD23 LEU 101 1.726 7.855 -1.497 398 1HD2 LEU 101 HD11 LEU 101 5.614 8.787 -1.413 399 2HD2 LEU 101 HD12 LEU 101 5.805 7.244 -0.475 400 3HD2 LEU 101 HD13 LEU 101 5.266 7.207 -2.197 401 H LEU 102 HN LEU 102 5.785 10.248 1.753 402 HA LEU 102 HA LEU 102 5.341 11.140 4.276 403 1HB LEU 102 HB1 LEU 102 6.913 12.796 3.944 404 2HB LEU 102 HB2 LEU 102 7.493 11.248 3.487 405 HG LEU 102 HG LEU 102 6.571 13.672 1.760 406 1HD1 LEU 102 HD22 LEU 102 9.230 12.188 1.909 407 2HD1 LEU 102 HD23 LEU 102 8.822 13.550 0.780 408 3HD1 LEU 102 HD21 LEU 102 8.852 13.817 2.569 409 1HD2 LEU 102 HD13 LEU 102 7.257 10.867 0.702 410 2HD2 LEU 102 HD11 LEU 102 5.673 11.802 0.506 411 3HD2 LEU 102 HD12 LEU 102 7.159 12.354 -0.294 412 H HIS 103 HN HSP 103 3.049 11.568 4.440 413 HA HIS 103 HA HSP 103 2.416 14.265 3.391 414 1HB HIS 103 HB1 HSP 103 0.608 12.228 4.781 415 2HB HIS 103 HB2 HSP 103 0.116 13.815 4.090 416 HD1 HIS 103 HD1 HSP 103 1.609 10.463 2.999 417 HD2 HIS 103 HD2 HSP 103 -0.716 13.595 1.449 418 HE1 HIS 103 HE1 HSP 103 0.653 9.677 0.784 419 HE2 HIS 103 HE2 HSP 103 -0.678 11.615 -0.168 420 H GLU 104 HN GLU 104 3.625 12.466 6.090 421 HA GLU 104 HA GLU 104 3.342 14.887 7.738 422 1HB GLU 104 HB1 GLU 104 3.011 12.113 8.966 423 2HB GLU 104 HB2 GLU 104 2.720 13.679 9.709 424 1HG GLU 104 HG1 GLU 104 0.524 13.026 9.335 425 2HG GLU 104 HG2 GLU 104 0.830 14.009 7.852 426 H HIS 105 HN HSP 105 5.486 13.489 6.011 427 HA HIS 105 HA HSP 105 7.427 13.238 8.187 428 1HB HIS 105 HB1 HSP 105 8.110 11.338 6.050 429 2HB HIS 105 HB2 HSP 105 8.182 11.145 7.793 430 HD1 HIS 105 HD1 HSP 105 5.353 11.021 8.699 431 HD2 HIS 105 HD2 HSP 105 6.373 9.641 4.882 432 HE1 HIS 105 HE1 HSP 105 3.420 9.609 7.873 433 HE2 HIS 105 HE2 HSP 105 4.031 8.895 5.531 434 H LYS 106 HN LYS 106 9.733 13.366 7.135 435 HA LYS 106 HA LYS 106 9.578 14.732 4.523 436 1HB LYS 106 HB1 LYS 106 9.985 16.338 6.377 437 2HB LYS 106 HB2 LYS 106 11.299 15.295 6.990 438 1HG LYS 106 HG1 LYS 106 12.445 16.937 5.834 439 2HG LYS 106 HG2 LYS 106 12.459 15.628 4.688 440 1HD LYS 106 HD1 LYS 106 10.387 16.655 3.532 441 2HD LYS 106 HD2 LYS 106 10.537 18.053 4.617 442 1HE LYS 106 HE1 LYS 106 12.763 17.063 2.699 443 2HE LYS 106 HE2 LYS 106 11.575 18.372 2.313 444 1HZ LYS 106 HZ1 LYS 106 12.364 19.588 4.216 445 2HZ LYS 106 HZ2 LYS 106 13.487 18.370 4.579 446 3HZ LYS 106 HZ3 LYS 106 13.630 19.252 3.133 447 H GLY 107 HN GLY 107 10.804 13.778 3.018 448 1HA GLY 107 HA2 GLY 107 12.674 12.855 2.192 449 2HA GLY 107 HA1 GLY 107 13.267 12.466 3.835 450 H LYS 108 HN LYS 108 11.650 10.771 5.032 451 HA LYS 108 HA LYS 108 11.826 8.517 3.280 452 1HB LYS 108 HB1 LYS 108 12.423 9.144 5.972 453 2HB LYS 108 HB2 LYS 108 10.942 8.301 6.160 454 1HG LYS 108 HG1 LYS 108 13.307 7.307 4.367 455 2HG LYS 108 HG2 LYS 108 13.440 7.192 6.110 456 1HD LYS 108 HD1 LYS 108 11.242 5.825 6.155 457 2HD LYS 108 HD2 LYS 108 11.330 5.763 4.369 458 1HE LYS 108 HE1 LYS 108 13.409 4.496 4.427 459 2HE LYS 108 HE2 LYS 108 13.594 4.770 6.208 460 1HZ LYS 108 HZ3 LYS 108 11.202 3.457 5.093 461 2HZ LYS 108 HZ1 LYS 108 12.620 2.586 5.403 462 3HZ LYS 108 HZ2 LYS 108 11.843 3.397 6.673 463 H LYS 109 HN LYS 109 9.970 7.027 4.966 464 HA LYS 109 HA LYS 109 7.302 8.043 4.194 465 1HB LYS 109 HB1 LYS 109 8.912 5.714 3.198 466 2HB LYS 109 HB2 LYS 109 7.638 5.250 3.556 467 1HG LYS 109 HG1 LYS 109 7.395 7.802 1.875 468 2HG LYS 109 HG2 LYS 109 8.953 7.148 1.564 469 1HD LYS 109 HD1 LYS 109 6.394 5.548 1.067 470 2HD LYS 109 HD2 LYS 109 7.338 6.322 -0.140 471 1HE LYS 109 HE1 LYS 109 8.692 4.283 1.679 472 2HE LYS 109 HE2 LYS 109 7.829 3.804 0.155 473 1HZ LYS 109 HZ1 LYS 109 9.241 5.541 -0.939 474 2HZ LYS 109 HZ2 LYS 109 10.182 5.563 0.483 475 3HZ LYS 109 HZ3 LYS 109 10.016 4.134 -0.468 476 H ALA 110 HN ALA 110 5.684 6.662 5.260 477 HA ALA 110 HA ALA 110 6.713 6.023 7.968 478 1HB ALA 110 HB3 ALA 110 3.864 6.743 7.257 479 2HB ALA 110 HB1 ALA 110 4.408 5.988 8.818 480 3HB ALA 110 HB2 ALA 110 4.999 7.615 8.370 481 H ARG 111 HN ARG 111 6.797 3.749 8.446 482 HA ARG 111 HA ARG 111 6.014 2.181 6.149 483 1HB ARG 111 HB1 ARG 111 8.351 2.351 7.418 484 2HB ARG 111 HB2 ARG 111 7.521 1.399 8.672 485 1HG ARG 111 HG1 ARG 111 7.450 0.420 5.791 486 2HG ARG 111 HG2 ARG 111 8.906 0.222 6.767 487 1HD ARG 111 HD1 ARG 111 6.852 -0.535 8.538 488 2HD ARG 111 HD2 ARG 111 6.229 -1.112 6.971 489 HE ARG 111 HE ARG 111 9.091 -1.829 7.737 490 1HH1 ARG 111 HH22 ARG 111 5.824 -2.790 8.161 491 2HH1 ARG 111 HH21 ARG 111 6.254 -4.461 8.370 492 1HH2 ARG 111 HH12 ARG 111 9.663 -3.995 7.501 493 2HH2 ARG 111 HH11 ARG 111 8.454 -5.153 8.034 494 H LEU 112 HN LEU 112 4.685 0.472 6.366 495 HA LEU 112 HA LEU 112 2.868 0.706 8.697 496 1HB LEU 112 HB1 LEU 112 2.266 -0.339 5.889 497 2HB LEU 112 HB2 LEU 112 1.093 0.063 7.199 498 HG LEU 112 HG LEU 112 2.835 2.115 5.862 499 1HD1 LEU 112 HD11 LEU 112 1.010 0.970 4.404 500 2HD1 LEU 112 HD12 LEU 112 -0.163 1.828 5.457 501 3HD1 LEU 112 HD13 LEU 112 1.060 2.768 4.498 502 1HD2 LEU 112 HD21 LEU 112 0.521 2.347 7.848 503 2HD2 LEU 112 HD22 LEU 112 2.226 2.779 8.129 504 3HD2 LEU 112 HD23 LEU 112 1.285 3.739 6.924 505 H ASP 113 HN ASP 113 1.338 -1.538 7.966 506 HA ASP 113 HA ASP 113 3.258 -3.677 8.551 507 1HB ASP 113 HB1 ASP 113 1.513 -3.188 10.414 508 2HB ASP 113 HB2 ASP 113 0.317 -3.927 9.254 509 H TRP 114 HN TRP 114 3.030 -5.525 7.178 510 HA TRP 114 HA TRP 114 1.616 -5.217 5.119 511 1HB TRP 114 HB1 TRP 114 3.347 -7.393 6.396 512 2HB TRP 114 HB2 TRP 114 2.206 -8.134 5.266 513 HD1 TRP 114 HD1 TRP 114 5.296 -8.151 4.520 514 HE1 TRP 114 HE1 TRP 114 6.207 -6.829 2.431 515 HE3 TRP 114 HE3 TRP 114 1.153 -6.099 3.621 516 HZ2 TRP 114 HZ2 TRP 114 4.704 -5.556 0.239 517 HZ3 TRP 114 HZ3 TRP 114 0.608 -5.215 1.351 518 HH2 TRP 114 HH2 TRP 114 2.340 -5.080 -0.322 519 H ASN 115 HN ASN 115 0.399 -6.227 8.052 520 HA ASN 115 HA ASN 115 -1.993 -7.292 6.667 521 1HB ASN 115 HB1 ASN 115 -0.638 -8.063 9.038 522 2HB ASN 115 HB2 ASN 115 -1.884 -7.036 9.681 523 1HD2 ASN 115 HD21 ASN 115 -4.609 -9.148 8.438 524 2HD2 ASN 115 HD22 ASN 115 -4.181 -7.482 8.664 525 H THR 116 HN THR 116 -0.986 -4.376 6.696 526 HA THR 116 HA THR 116 -2.206 -3.371 8.865 527 HB THR 116 HB THR 116 -0.275 -2.265 7.210 528 HG1 THR 116 HG1 THR 116 -1.141 -1.138 9.532 529 1HG2 THR 116 HG23 THR 116 -2.758 -0.493 8.096 530 2HG2 THR 116 HG21 THR 116 -1.102 0.193 8.055 531 3HG2 THR 116 HG22 THR 116 -1.767 -0.301 6.535 532 H ASP 117 HN ASP 117 -4.147 -2.226 9.171 533 HA ASP 117 HA ASP 117 -6.364 -2.761 7.414 534 1HB ASP 117 HB1 ASP 117 -6.491 -2.383 9.919 535 2HB ASP 117 HB2 ASP 117 -6.200 -0.640 9.581 536 H ALA 118 HN ALA 118 -5.489 -2.063 5.416 537 HA ALA 118 HA ALA 118 -4.729 0.512 4.623 538 1HB ALA 118 HB3 ALA 118 -4.875 -1.788 3.368 539 2HB ALA 118 HB1 ALA 118 -6.630 -1.483 3.207 540 3HB ALA 118 HB2 ALA 118 -5.429 -0.363 2.427 541 H ALA 119 HN ALA 119 -7.853 -0.662 5.737 542 HA ALA 119 HA ALA 119 -9.489 1.384 4.496 543 1HB ALA 119 HB2 ALA 119 -9.228 -0.874 6.631 544 2HB ALA 119 HB3 ALA 119 -10.686 0.234 6.785 545 3HB ALA 119 HB1 ALA 119 -10.425 -0.783 5.312 546 H SER 120 HN SER 120 -7.112 1.383 7.069 547 HA SER 120 HA SER 120 -8.407 3.747 8.269 548 1HB SER 120 HB1 SER 120 -7.461 1.992 9.795 549 2HB SER 120 HB2 SER 120 -5.837 2.331 9.100 550 HG SER 120 HG1 SER 120 -6.478 4.632 9.660 551 H LEU 121 HN LEU 121 -6.154 2.807 5.830 552 HA LEU 121 HA LEU 121 -4.798 5.454 5.943 553 1HB LEU 121 HB1 LEU 121 -4.068 3.062 4.182 554 2HB LEU 121 HB2 LEU 121 -3.151 4.505 4.399 555 HG LEU 121 HG LEU 121 -1.978 3.062 5.831 556 1HD1 LEU 121 HD21 LEU 121 -2.996 5.027 7.210 557 2HD1 LEU 121 HD22 LEU 121 -4.175 3.867 7.814 558 3HD1 LEU 121 HD23 LEU 121 -2.417 3.553 8.146 559 1HD2 LEU 121 HD11 LEU 121 -4.686 1.736 6.227 560 2HD2 LEU 121 HD12 LEU 121 -3.123 1.012 5.753 561 3HD2 LEU 121 HD13 LEU 121 -3.416 1.519 7.486 562 H ILE 122 HN ILE 122 -7.256 3.933 4.925 563 HA ILE 122 HA ILE 122 -7.636 4.380 2.362 564 HB ILE 122 HB ILE 122 -9.377 3.560 4.215 565 1HG1 ILE 122 HG11 ILE 122 -11.187 3.601 2.412 566 2HG1 ILE 122 HG12 ILE 122 -9.810 4.164 1.354 567 1HG2 ILE 122 HG21 ILE 122 -10.041 5.812 4.998 568 2HG2 ILE 122 HG22 ILE 122 -10.659 6.172 3.320 569 3HG2 ILE 122 HG23 ILE 122 -11.422 4.879 4.275 570 1HD1 ILE 122 HD1 ILE 122 -8.600 2.078 2.546 571 2HD1 ILE 122 HD2 ILE 122 -10.350 1.489 2.349 572 3HD1 ILE 122 HD3 ILE 122 -9.431 2.052 0.952 573 H GLY 123 HN GLY 123 -8.358 5.882 0.981 574 1HA GLY 123 HA2 GLY 123 -8.385 7.932 0.011 575 2HA GLY 123 HA1 GLY 123 -8.830 8.547 1.638 576 H GLU 124 HN GLU 124 -5.752 6.887 0.665 577 HA GLU 124 HA GLU 124 -4.350 9.447 1.118 578 1HB GLU 124 HB1 GLU 124 -3.483 6.726 2.181 579 2HB GLU 124 HB2 GLU 124 -2.650 8.279 2.398 580 1HG GLU 124 HG1 GLU 124 -5.539 7.955 3.400 581 2HG GLU 124 HG2 GLU 124 -4.219 7.173 4.283 582 H GLU 125 HN GLU 125 -1.837 8.433 0.771 583 HA GLU 125 HA GLU 125 -1.925 7.052 -1.835 584 1HB GLU 125 HB1 GLU 125 -0.017 9.335 -1.160 585 2HB GLU 125 HB2 GLU 125 0.146 8.239 -2.543 586 1HG GLU 125 HG1 GLU 125 -1.299 9.101 -3.882 587 2HG GLU 125 HG2 GLU 125 -2.547 9.252 -2.640 588 H LEU 126 HN LEU 126 -0.783 5.252 -1.789 589 HA LEU 126 HA LEU 126 1.010 4.945 0.504 590 1HB LEU 126 HB1 LEU 126 -0.387 2.775 -1.174 591 2HB LEU 126 HB2 LEU 126 0.836 2.426 0.040 592 HG LEU 126 HG LEU 126 -2.039 3.106 0.420 593 1HD1 LEU 126 HD22 LEU 126 -1.063 0.894 1.008 594 2HD1 LEU 126 HD23 LEU 126 0.029 1.698 2.203 595 3HD1 LEU 126 HD21 LEU 126 -1.763 1.740 2.444 596 1HD2 LEU 126 HD12 LEU 126 0.032 4.253 2.377 597 2HD2 LEU 126 HD13 LEU 126 -1.223 5.181 1.389 598 3HD2 LEU 126 HD11 LEU 126 -1.723 4.073 2.687 599 H GLN 127 HN GLN 127 2.897 3.419 0.089 600 HA GLN 127 HA GLN 127 3.663 3.329 -2.730 601 1HB GLN 127 HB1 GLN 127 4.783 5.406 -1.407 602 2HB GLN 127 HB2 GLN 127 5.803 4.161 -0.738 603 1HG GLN 127 HG1 GLN 127 5.778 3.644 -3.593 604 2HG GLN 127 HG2 GLN 127 5.780 5.483 -3.422 605 1HE2 GLN 127 HE21 GLN 127 9.180 3.546 -2.400 606 2HE2 GLN 127 HE22 GLN 127 7.786 2.636 -2.893 607 H VAL 128 HN VAL 128 5.272 1.644 -3.100 608 HA VAL 128 HA VAL 128 5.712 -0.050 -0.710 609 HB VAL 128 HB VAL 128 5.026 -0.879 -3.543 610 1HG1 VAL 128 HG13 VAL 128 6.217 -2.609 -1.280 611 2HG1 VAL 128 HG11 VAL 128 5.532 -3.224 -2.833 612 3HG1 VAL 128 HG12 VAL 128 7.017 -2.230 -2.872 613 1HG2 VAL 128 HG22 VAL 128 3.143 -0.633 -1.897 614 2HG2 VAL 128 HG23 VAL 128 3.384 -2.301 -2.538 615 3HG2 VAL 128 HG21 VAL 128 3.939 -1.887 -0.861 616 H ASP 129 HN ASP 129 7.809 -0.847 -0.470 617 HA ASP 129 HA ASP 129 9.707 0.013 -2.524 618 1HB ASP 129 HB1 ASP 129 9.364 1.418 -0.031 619 2HB ASP 129 HB2 ASP 129 10.772 0.353 0.256 620 H PHE 130 HN PHE 130 12.056 -0.818 -1.122 621 HA PHE 130 HA PHE 130 11.699 -3.629 -1.357 622 1HB PHE 130 HB1 PHE 130 14.118 -3.704 -0.498 623 2HB PHE 130 HB2 PHE 130 13.848 -2.850 -2.049 624 HD1 PHE 130 HD1 PHE 130 14.528 -2.390 1.579 625 HD2 PHE 130 HD2 PHE 130 14.012 -0.411 -2.183 626 HE1 PHE 130 HE1 PHE 130 15.354 -0.300 2.548 627 HE2 PHE 130 HE2 PHE 130 14.854 1.660 -1.199 628 HZ PHE 130 HZ PHE 130 15.514 1.732 1.172 629 H LEU 131 HN LEU 131 12.251 -5.149 0.435 630 HA LEU 131 HA LEU 131 10.851 -4.851 2.601 631 1HB LEU 131 HB1 LEU 131 13.246 -6.579 2.060 632 2HB LEU 131 HB2 LEU 131 12.629 -6.467 3.766 633 HG LEU 131 HG LEU 131 10.694 -7.088 1.523 634 1HD1 LEU 131 HD21 LEU 131 12.548 -9.098 2.876 635 2HD1 LEU 131 HD22 LEU 131 11.030 -9.517 2.009 636 3HD1 LEU 131 HD23 LEU 131 12.409 -8.713 1.122 637 1HD2 LEU 131 HD11 LEU 131 9.825 -6.468 3.762 638 2HD2 LEU 131 HD12 LEU 131 9.390 -8.135 3.225 639 3HD2 LEU 131 HD13 LEU 131 10.689 -7.888 4.461 640 H ASP 132 HN ASP 132 10.950 -3.371 3.819 641 HA ASP 132 HA ASP 132 13.338 -2.211 4.984 642 1HB ASP 132 HB1 ASP 132 11.413 -0.828 3.971 643 2HB ASP 132 HB2 ASP 132 10.457 -1.259 5.442 No H/Q in entry = 643 Start of MODEL 4 1 1H SER 55 HT2 SER 55 -13.640 7.509 3.361 2 2H SER 55 HT1 SER 55 -11.972 7.590 3.530 3 3H SER 55 HT3 SER 55 -12.819 8.927 2.888 4 HA SER 55 HA SER 55 -13.403 7.723 0.962 5 1HB SER 55 HB1 SER 55 -10.992 8.780 1.269 6 2HB SER 55 HB2 SER 55 -10.432 7.083 1.441 7 HG SER 55 HG1 SER 55 -11.587 8.420 -0.755 8 H ASN 56 HN ASN 56 -12.388 5.734 -0.399 9 HA ASN 56 HA ASN 56 -12.042 3.393 1.298 10 1HB ASN 56 HB1 ASN 56 -14.530 3.552 0.767 11 2HB ASN 56 HB2 ASN 56 -14.072 3.276 -0.962 12 1HD2 ASN 56 HD21 ASN 56 -13.551 -0.238 -0.259 13 2HD2 ASN 56 HD22 ASN 56 -13.508 1.034 -1.428 14 H THR 57 HN THR 57 -10.549 5.337 -0.502 15 HA THR 57 HA THR 57 -9.608 3.333 -2.463 16 HB THR 57 HB THR 57 -9.320 5.020 -4.163 17 HG1 THR 57 HG1 THR 57 -10.405 6.737 -2.162 18 1HG2 THR 57 HG21 THR 57 -11.647 4.014 -4.045 19 2HG2 THR 57 HG22 THR 57 -12.160 5.404 -3.013 20 3HG2 THR 57 HG23 THR 57 -11.619 5.695 -4.708 21 H ILE 58 HN ILE 58 -7.347 3.480 -2.894 22 HA ILE 58 HA ILE 58 -5.926 5.650 -1.678 23 HB ILE 58 HB ILE 58 -4.569 3.084 -0.988 24 1HG1 ILE 58 HG11 ILE 58 -7.014 3.698 0.683 25 2HG1 ILE 58 HG12 ILE 58 -6.888 2.379 -0.520 26 1HG2 ILE 58 HG23 ILE 58 -5.019 5.711 0.516 27 2HG2 ILE 58 HG21 ILE 58 -4.205 4.292 1.214 28 3HG2 ILE 58 HG22 ILE 58 -3.512 5.082 -0.257 29 1HD1 ILE 58 HD3 ILE 58 -4.865 1.468 0.683 30 2HD1 ILE 58 HD1 ILE 58 -5.189 2.666 2.006 31 3HD1 ILE 58 HD2 ILE 58 -6.412 1.408 1.613 32 H ARG 59 HN ARG 59 -3.512 5.561 -2.487 33 HA ARG 59 HA ARG 59 -3.603 4.245 -5.109 34 1HB ARG 59 HB1 ARG 59 -2.044 6.557 -3.912 35 2HB ARG 59 HB2 ARG 59 -1.560 5.754 -5.427 36 1HG ARG 59 HG1 ARG 59 -2.769 7.524 -6.189 37 2HG ARG 59 HG2 ARG 59 -3.883 6.167 -6.379 38 1HD ARG 59 HD1 ARG 59 -5.331 7.764 -5.474 39 2HD ARG 59 HD2 ARG 59 -4.751 7.011 -3.940 40 HE ARG 59 HE ARG 59 -3.406 9.463 -5.160 41 1HH1 ARG 59 HH22 ARG 59 -6.048 8.459 -3.228 42 2HH1 ARG 59 HH21 ARG 59 -6.201 10.018 -2.495 43 1HH2 ARG 59 HH12 ARG 59 -3.046 11.163 -3.504 44 2HH2 ARG 59 HH11 ARG 59 -4.537 11.594 -2.759 45 H VAL 60 HN VAL 60 -1.590 3.273 -5.846 46 HA VAL 60 HA VAL 60 0.155 2.406 -3.624 47 HB VAL 60 HB VAL 60 -0.644 0.452 -5.791 48 1HG1 VAL 60 HG11 VAL 60 1.505 0.072 -4.587 49 2HG1 VAL 60 HG12 VAL 60 0.602 0.002 -3.033 50 3HG1 VAL 60 HG13 VAL 60 0.279 -1.230 -4.325 51 1HG2 VAL 60 HG21 VAL 60 -2.735 0.950 -4.585 52 2HG2 VAL 60 HG22 VAL 60 -2.118 -0.706 -4.207 53 3HG2 VAL 60 HG23 VAL 60 -1.919 0.634 -3.009 54 H PHE 61 HN PHE 61 2.066 3.237 -4.144 55 HA PHE 61 HA PHE 61 2.697 3.597 -6.989 56 1HB PHE 61 HB1 PHE 61 3.675 4.784 -4.386 57 2HB PHE 61 HB2 PHE 61 4.754 4.814 -5.899 58 HD1 PHE 61 HD2 PHE 61 1.141 5.375 -4.856 59 HD2 PHE 61 HD1 PHE 61 4.486 6.772 -7.134 60 HE1 PHE 61 HE2 PHE 61 -0.095 7.386 -5.449 61 HE2 PHE 61 HE1 PHE 61 3.276 8.850 -7.590 62 HZ PHE 61 HZ PHE 61 1.021 9.202 -6.659 63 H LEU 62 HN LEU 62 4.616 2.675 -7.961 64 HA LEU 62 HA LEU 62 5.255 0.204 -6.498 65 1HB LEU 62 HB1 LEU 62 5.654 1.103 -9.368 66 2HB LEU 62 HB2 LEU 62 6.489 -0.330 -8.717 67 HG LEU 62 HG LEU 62 4.259 -0.722 -9.960 68 1HD1 LEU 62 HD12 LEU 62 5.517 -2.472 -8.741 69 2HD1 LEU 62 HD13 LEU 62 4.672 -2.004 -7.212 70 3HD1 LEU 62 HD11 LEU 62 3.729 -2.663 -8.600 71 1HD2 LEU 62 HD22 LEU 62 2.946 1.013 -8.669 72 2HD2 LEU 62 HD23 LEU 62 2.219 -0.627 -8.742 73 3HD2 LEU 62 HD21 LEU 62 3.054 -0.074 -7.228 74 HA PRO 63 HA PRO 63 9.268 1.747 -5.857 75 1HB PRO 63 HB1 PRO 63 10.392 -0.929 -6.395 76 2HB PRO 63 HB2 PRO 63 10.524 0.061 -4.960 77 1HG PRO 63 HG1 PRO 63 8.925 -2.202 -5.235 78 2HG PRO 63 HG2 PRO 63 8.692 -1.024 -4.024 79 1HD PRO 63 HD1 PRO 63 6.899 -1.529 -6.205 80 2HD PRO 63 HD2 PRO 63 6.729 -0.322 -5.007 81 H ASN 64 HN ASN 64 8.044 0.326 -8.736 82 HA ASN 64 HA ASN 64 10.452 1.039 -10.220 83 1HB ASN 64 HB1 ASN 64 8.699 -1.007 -10.708 84 2HB ASN 64 HB2 ASN 64 7.845 0.295 -11.610 85 1HD2 ASN 64 HD21 ASN 64 10.578 0.640 -14.019 86 2HD2 ASN 64 HD22 ASN 64 9.377 1.565 -13.178 87 H LYS 65 HN LYS 65 8.487 2.822 -8.577 88 HA LYS 65 HA LYS 65 8.039 4.954 -8.708 89 1HB LYS 65 HB1 LYS 65 8.767 5.085 -11.662 90 2HB LYS 65 HB2 LYS 65 8.709 6.419 -10.481 91 1HG LYS 65 HG1 LYS 65 10.660 4.041 -10.327 92 2HG LYS 65 HG2 LYS 65 11.039 5.571 -11.123 93 1HD LYS 65 HD1 LYS 65 11.847 6.292 -9.121 94 2HD LYS 65 HD2 LYS 65 10.146 6.488 -8.626 95 1HE LYS 65 HE1 LYS 65 11.351 5.229 -6.906 96 2HE LYS 65 HE2 LYS 65 10.144 4.143 -7.690 97 1HZ LYS 65 HZ1 LYS 65 12.436 3.933 -9.185 98 2HZ LYS 65 HZ2 LYS 65 12.968 3.947 -7.570 99 3HZ LYS 65 HZ3 LYS 65 11.811 2.802 -8.082 100 H GLN 66 HN GLN 66 6.545 2.570 -10.375 101 HA GLN 66 HA GLN 66 4.664 4.104 -11.610 102 1HB GLN 66 HB1 GLN 66 4.998 1.216 -11.299 103 2HB GLN 66 HB2 GLN 66 3.364 1.556 -11.098 104 1HG GLN 66 HG1 GLN 66 4.567 3.034 -13.433 105 2HG GLN 66 HG2 GLN 66 4.798 1.254 -13.529 106 1HE2 GLN 66 HE21 GLN 66 0.968 2.899 -13.639 107 2HE2 GLN 66 HE22 GLN 66 2.348 3.883 -13.344 108 H ARG 67 HN ARG 67 2.130 3.213 -11.130 109 HA ARG 67 HA ARG 67 1.459 3.695 -8.385 110 1HB ARG 67 HB1 ARG 67 0.226 5.831 -8.919 111 2HB ARG 67 HB2 ARG 67 1.993 5.954 -8.716 112 1HG ARG 67 HG1 ARG 67 1.155 5.450 -11.535 113 2HG ARG 67 HG2 ARG 67 0.496 6.933 -10.865 114 1HD ARG 67 HD1 ARG 67 2.720 7.809 -10.292 115 2HD ARG 67 HD2 ARG 67 3.493 6.228 -10.672 116 HE ARG 67 HE ARG 67 1.991 7.776 -12.814 117 1HH1 ARG 67 HH22 ARG 67 5.127 6.927 -11.458 118 2HH1 ARG 67 HH21 ARG 67 5.948 7.816 -12.680 119 1HH2 ARG 67 HH12 ARG 67 3.145 8.111 -14.761 120 2HH2 ARG 67 HH11 ARG 67 4.841 8.407 -14.606 121 H THR 68 HN THR 68 -0.918 3.891 -8.167 122 HA THR 68 HA THR 68 -2.625 3.454 -10.320 123 HB THR 68 HB THR 68 -1.524 1.185 -10.491 124 HG1 THR 68 HG1 THR 68 -4.032 0.698 -9.454 125 1HG2 THR 68 HG22 THR 68 -0.877 0.838 -8.118 126 2HG2 THR 68 HG23 THR 68 -2.627 0.738 -7.652 127 3HG2 THR 68 HG21 THR 68 -1.904 -0.505 -8.735 128 H VAL 69 HN VAL 69 -4.885 2.831 -9.407 129 HA VAL 69 HA VAL 69 -4.977 3.714 -6.578 130 HB VAL 69 HB VAL 69 -6.149 5.349 -7.746 131 1HG1 VAL 69 HG13 VAL 69 -7.617 3.123 -9.282 132 2HG1 VAL 69 HG11 VAL 69 -7.986 4.887 -9.355 133 3HG1 VAL 69 HG12 VAL 69 -6.406 4.287 -9.966 134 1HG2 VAL 69 HG22 VAL 69 -7.208 4.554 -5.703 135 2HG2 VAL 69 HG23 VAL 69 -8.324 5.300 -6.904 136 3HG2 VAL 69 HG21 VAL 69 -8.300 3.513 -6.715 137 H VAL 70 HN VAL 70 -6.175 2.471 -5.153 138 HA VAL 70 HA VAL 70 -7.347 0.000 -6.263 139 HB VAL 70 HB VAL 70 -6.354 -1.329 -4.475 140 1HG1 VAL 70 HG13 VAL 70 -5.149 -1.177 -6.671 141 2HG1 VAL 70 HG11 VAL 70 -4.146 0.144 -5.999 142 3HG1 VAL 70 HG12 VAL 70 -4.071 -1.506 -5.252 143 1HG2 VAL 70 HG23 VAL 70 -4.759 1.171 -3.706 144 2HG2 VAL 70 HG21 VAL 70 -6.027 0.337 -2.716 145 3HG2 VAL 70 HG22 VAL 70 -4.485 -0.508 -3.092 146 H ASN 71 HN ASN 71 -8.628 -1.122 -4.437 147 HA ASN 71 HA ASN 71 -9.838 0.942 -2.694 148 1HB ASN 71 HB1 ASN 71 -11.276 -1.179 -4.405 149 2HB ASN 71 HB2 ASN 71 -12.040 -0.327 -3.000 150 1HD2 ASN 71 HD21 ASN 71 -11.284 1.795 -6.486 151 2HD2 ASN 71 HD22 ASN 71 -10.420 0.327 -6.177 152 H VAL 72 HN VAL 72 -10.559 0.064 -0.666 153 HA VAL 72 HA VAL 72 -9.410 -2.598 -0.133 154 HB VAL 72 HB VAL 72 -8.785 -0.608 1.363 155 1HG1 VAL 72 HG13 VAL 72 -11.170 0.286 1.530 156 2HG1 VAL 72 HG11 VAL 72 -11.516 -1.105 2.624 157 3HG1 VAL 72 HG12 VAL 72 -10.242 0.070 3.089 158 1HG2 VAL 72 HG21 VAL 72 -9.933 -3.180 2.548 159 2HG2 VAL 72 HG22 VAL 72 -8.190 -2.775 2.125 160 3HG2 VAL 72 HG23 VAL 72 -9.014 -1.954 3.476 161 H ARG 73 HN ARG 73 -10.785 -4.328 0.248 162 HA ARG 73 HA ARG 73 -13.566 -3.745 -0.317 163 1HB ARG 73 HB1 ARG 73 -12.091 -5.692 -1.332 164 2HB ARG 73 HB2 ARG 73 -12.442 -6.525 0.168 165 1HG ARG 73 HG1 ARG 73 -14.150 -7.206 -1.429 166 2HG ARG 73 HG2 ARG 73 -14.998 -6.014 -0.419 167 1HD ARG 73 HD1 ARG 73 -15.549 -5.564 -2.741 168 2HD ARG 73 HD2 ARG 73 -14.492 -4.216 -2.151 169 HE ARG 73 HE ARG 73 -13.345 -6.598 -3.659 170 1HH1 ARG 73 HH22 ARG 73 -14.874 -3.543 -4.033 171 2HH1 ARG 73 HH21 ARG 73 -14.211 -3.296 -5.614 172 1HH2 ARG 73 HH12 ARG 73 -11.986 -6.007 -5.437 173 2HH2 ARG 73 HH11 ARG 73 -12.599 -4.735 -6.434 174 H ASN 74 HN ASN 74 -14.259 -6.340 1.223 175 HA ASN 74 HA ASN 74 -14.951 -4.907 3.625 176 1HB ASN 74 HB1 ASN 74 -15.389 -7.824 2.935 177 2HB ASN 74 HB2 ASN 74 -16.209 -6.905 4.228 178 1HD2 ASN 74 HD21 ASN 74 -18.366 -5.055 1.948 179 2HD2 ASN 74 HD22 ASN 74 -17.623 -5.028 3.510 180 H GLY 75 HN GLY 75 -12.619 -4.746 4.026 181 1HA GLY 75 HA2 GLY 75 -11.278 -5.099 5.833 182 2HA GLY 75 HA1 GLY 75 -11.873 -6.782 5.991 183 H MET 76 HN MET 76 -10.483 -5.194 3.033 184 HA MET 76 HA MET 76 -8.622 -7.250 2.787 185 1HB MET 76 HB1 MET 76 -8.735 -4.521 1.437 186 2HB MET 76 HB2 MET 76 -7.472 -5.549 1.163 187 1HG MET 76 HG1 MET 76 -9.052 -7.463 0.473 188 2HG MET 76 HG2 MET 76 -10.394 -6.454 0.745 189 1HE MET 76 HE3 MET 76 -10.732 -7.362 -1.960 190 2HE MET 76 HE1 MET 76 -9.736 -6.781 -3.334 191 3HE MET 76 HE2 MET 76 -9.048 -7.951 -2.167 192 H SER 77 HN SER 77 -6.409 -7.276 3.122 193 HA SER 77 HA SER 77 -5.377 -5.314 5.163 194 1HB SER 77 HB1 SER 77 -4.488 -8.107 4.427 195 2HB SER 77 HB2 SER 77 -3.795 -7.087 5.667 196 HG SER 77 HG1 SER 77 -6.563 -7.724 5.737 197 H LEU 78 HN LEU 78 -3.257 -4.720 4.897 198 HA LEU 78 HA LEU 78 -2.479 -3.787 2.628 199 1HB LEU 78 HB1 LEU 78 -0.954 -4.826 4.983 200 2HB LEU 78 HB2 LEU 78 0.035 -4.593 3.525 201 HG LEU 78 HG LEU 78 0.064 -2.595 4.958 202 1HD1 LEU 78 HD21 LEU 78 0.086 -2.733 2.214 203 2HD1 LEU 78 HD22 LEU 78 -1.425 -1.843 2.435 204 3HD1 LEU 78 HD23 LEU 78 -0.094 -1.058 3.171 205 1HD2 LEU 78 HD13 LEU 78 -2.757 -2.236 3.859 206 2HD2 LEU 78 HD11 LEU 78 -2.324 -2.459 5.546 207 3HD2 LEU 78 HD12 LEU 78 -1.725 -0.964 4.619 208 H HIS 79 HN HSP 79 -1.140 -6.915 3.619 209 HA HIS 79 HA HSP 79 -0.010 -7.450 1.248 210 1HB HIS 79 HB1 HSP 79 -0.600 -9.091 3.634 211 2HB HIS 79 HB2 HSP 79 -0.851 -10.071 2.209 212 HD1 HIS 79 HD1 HSP 79 1.484 -8.640 0.486 213 HD2 HIS 79 HD2 HSP 79 1.928 -10.058 4.392 214 HE1 HIS 79 HE1 HSP 79 3.964 -8.835 1.005 215 HE2 HIS 79 HE2 HSP 79 4.158 -9.913 3.223 216 H ASP 80 HN ASP 80 -3.283 -8.635 2.276 217 HA ASP 80 HA ASP 80 -3.714 -9.954 -0.190 218 1HB ASP 80 HB1 ASP 80 -5.723 -8.883 1.891 219 2HB ASP 80 HB2 ASP 80 -6.127 -10.026 0.570 220 H CYS 81 HN CYS 81 -4.075 -6.671 0.951 221 HA CYS 81 HA CYS 81 -5.910 -5.948 -1.125 222 1HB CYS 81 HB1 CYS 81 -5.428 -5.055 1.437 223 2HB CYS 81 HB2 CYS 81 -4.352 -3.999 0.642 224 HG1 CYS 81 HG1 CYS 81 -5.938 -3.249 -1.421 225 H LEU 82 HN LEU 82 -2.456 -5.866 -0.608 226 HA LEU 82 HA LEU 82 -2.004 -4.165 -2.944 227 1HB LEU 82 HB1 LEU 82 -0.240 -5.613 -0.876 228 2HB LEU 82 HB2 LEU 82 0.482 -4.859 -2.220 229 HG LEU 82 HG LEU 82 -0.371 -3.846 0.301 230 1HD1 LEU 82 HD12 LEU 82 0.443 -2.286 -2.293 231 2HD1 LEU 82 HD13 LEU 82 0.339 -1.479 -0.680 232 3HD1 LEU 82 HD11 LEU 82 1.577 -2.760 -0.970 233 1HD2 LEU 82 HD22 LEU 82 -2.218 -2.684 -1.726 234 2HD2 LEU 82 HD23 LEU 82 -2.540 -3.496 -0.154 235 3HD2 LEU 82 HD21 LEU 82 -1.771 -1.880 -0.142 236 H MET 83 HN MET 83 -1.423 -7.465 -1.790 237 HA MET 83 HA MET 83 -0.109 -8.688 -4.004 238 1HB MET 83 HB1 MET 83 -0.707 -9.786 -1.881 239 2HB MET 83 HB2 MET 83 -2.406 -9.483 -2.158 240 1HG MET 83 HG1 MET 83 -2.235 -11.662 -2.710 241 2HG MET 83 HG2 MET 83 -2.565 -10.783 -4.169 242 1HE MET 83 HE2 MET 83 0.026 -12.745 -1.991 243 2HE MET 83 HE3 MET 83 1.569 -12.704 -2.900 244 3HE MET 83 HE1 MET 83 0.979 -11.221 -2.092 245 H LYS 84 HN LYS 84 -3.544 -7.610 -3.557 246 HA LYS 84 HA LYS 84 -4.539 -8.586 -5.989 247 1HB LYS 84 HB1 LYS 84 -6.036 -8.180 -4.354 248 2HB LYS 84 HB2 LYS 84 -5.195 -6.734 -3.782 249 1HG LYS 84 HG1 LYS 84 -6.460 -6.772 -6.534 250 2HG LYS 84 HG2 LYS 84 -7.346 -6.366 -4.959 251 1HD LYS 84 HD1 LYS 84 -6.651 -4.442 -4.583 252 2HD LYS 84 HD2 LYS 84 -5.037 -4.810 -5.059 253 1HE LYS 84 HE1 LYS 84 -5.947 -3.095 -6.611 254 2HE LYS 84 HE2 LYS 84 -5.762 -4.633 -7.550 255 1HZ LYS 84 HZ3 LYS 84 -8.255 -3.699 -6.238 256 2HZ LYS 84 HZ1 LYS 84 -7.880 -3.547 -7.894 257 3HZ LYS 84 HZ2 LYS 84 -8.066 -5.083 -7.194 258 H ALA 85 HN ALA 85 -3.182 -5.414 -4.994 259 HA ALA 85 HA ALA 85 -3.555 -4.193 -7.493 260 1HB ALA 85 HB1 ALA 85 -2.881 -3.198 -5.107 261 2HB ALA 85 HB2 ALA 85 -1.185 -3.719 -5.502 262 3HB ALA 85 HB3 ALA 85 -1.987 -2.478 -6.518 263 H LEU 86 HN LEU 86 -0.775 -6.007 -6.200 264 HA LEU 86 HA LEU 86 0.940 -5.349 -8.519 265 1HB LEU 86 HB1 LEU 86 1.263 -7.293 -6.210 266 2HB LEU 86 HB2 LEU 86 2.470 -6.821 -7.173 267 HG LEU 86 HG LEU 86 0.736 -4.678 -5.726 268 1HD1 LEU 86 HD23 LEU 86 1.008 -6.259 -4.176 269 2HD1 LEU 86 HD21 LEU 86 2.818 -6.114 -4.222 270 3HD1 LEU 86 HD22 LEU 86 1.726 -4.701 -3.738 271 1HD2 LEU 86 HD11 LEU 86 2.230 -3.805 -7.395 272 2HD2 LEU 86 HD12 LEU 86 2.489 -3.175 -5.743 273 3HD2 LEU 86 HD13 LEU 86 3.641 -4.420 -6.436 274 H LYS 87 HN LYS 87 -0.948 -7.949 -7.148 275 HA LYS 87 HA LYS 87 -0.297 -9.961 -8.899 276 1HB LYS 87 HB1 LYS 87 -2.003 -10.582 -7.365 277 2HB LYS 87 HB2 LYS 87 -2.818 -9.025 -7.525 278 1HG LYS 87 HG1 LYS 87 -4.413 -9.999 -8.249 279 2HG LYS 87 HG2 LYS 87 -3.817 -9.238 -9.580 280 1HD LYS 87 HD1 LYS 87 -2.877 -11.162 -10.690 281 2HD LYS 87 HD2 LYS 87 -2.942 -12.163 -9.225 282 1HE LYS 87 HE1 LYS 87 -5.437 -11.070 -10.707 283 2HE LYS 87 HE2 LYS 87 -4.714 -12.704 -10.994 284 1HZ LYS 87 HZ2 LYS 87 -5.710 -11.690 -8.393 285 2HZ LYS 87 HZ3 LYS 87 -6.521 -12.766 -9.431 286 3HZ LYS 87 HZ1 LYS 87 -5.059 -13.224 -8.695 287 H VAL 88 HN VAL 88 -2.387 -7.230 -9.461 288 HA VAL 88 HA VAL 88 -3.152 -7.764 -12.094 289 HB VAL 88 HB VAL 88 -2.589 -5.066 -10.705 290 1HG1 VAL 88 HG13 VAL 88 -4.165 -5.492 -13.246 291 2HG1 VAL 88 HG11 VAL 88 -4.107 -3.983 -12.234 292 3HG1 VAL 88 HG12 VAL 88 -2.611 -4.562 -12.995 293 1HG2 VAL 88 HG23 VAL 88 -4.480 -6.873 -9.894 294 2HG2 VAL 88 HG21 VAL 88 -4.561 -5.082 -9.681 295 3HG2 VAL 88 HG22 VAL 88 -5.413 -5.882 -11.066 296 H ARG 89 HN ARG 89 -0.265 -6.229 -10.748 297 HA ARG 89 HA ARG 89 0.776 -5.291 -13.267 298 1HB ARG 89 HB1 ARG 89 2.092 -5.539 -10.578 299 2HB ARG 89 HB2 ARG 89 2.550 -4.502 -11.920 300 1HG ARG 89 HG1 ARG 89 -0.173 -3.861 -11.462 301 2HG ARG 89 HG2 ARG 89 0.298 -4.290 -9.918 302 1HD ARG 89 HD1 ARG 89 1.038 -2.191 -9.568 303 2HD ARG 89 HD2 ARG 89 2.539 -2.799 -10.416 304 HE ARG 89 HE ARG 89 1.747 -1.843 -12.518 305 1HH1 ARG 89 HH22 ARG 89 -0.921 -2.041 -10.413 306 2HH1 ARG 89 HH21 ARG 89 -1.873 -0.916 -11.323 307 1HH2 ARG 89 HH12 ARG 89 0.771 0.112 -13.403 308 2HH2 ARG 89 HH11 ARG 89 -0.937 0.197 -13.126 309 H GLY 90 HN GLY 90 1.462 -7.896 -10.922 310 1HA GLY 90 HA2 GLY 90 2.207 -10.006 -11.701 311 2HA GLY 90 HA1 GLY 90 3.176 -9.221 -12.988 312 H LEU 91 HN LEU 91 2.797 -8.194 -9.566 313 HA LEU 91 HA LEU 91 5.666 -8.833 -9.167 314 1HB LEU 91 HB1 LEU 91 4.016 -6.370 -8.424 315 2HB LEU 91 HB2 LEU 91 5.496 -6.731 -7.641 316 HG LEU 91 HG LEU 91 6.133 -7.021 -10.439 317 1HD1 LEU 91 HD22 LEU 91 4.167 -5.833 -11.093 318 2HD1 LEU 91 HD23 LEU 91 4.680 -4.391 -10.067 319 3HD1 LEU 91 HD21 LEU 91 5.659 -4.928 -11.462 320 1HD2 LEU 91 HD13 LEU 91 7.685 -6.333 -8.595 321 2HD2 LEU 91 HD11 LEU 91 7.746 -5.272 -10.058 322 3HD2 LEU 91 HD12 LEU 91 6.885 -4.711 -8.573 323 H GLN 92 HN GLN 92 6.179 -8.667 -6.708 324 HA GLN 92 HA GLN 92 3.935 -9.908 -5.238 325 1HB GLN 92 HB1 GLN 92 5.463 -11.366 -4.070 326 2HB GLN 92 HB2 GLN 92 5.486 -11.690 -5.803 327 1HG GLN 92 HG1 GLN 92 7.616 -10.464 -6.125 328 2HG GLN 92 HG2 GLN 92 7.598 -9.873 -4.484 329 1HE2 GLN 92 HE21 GLN 92 8.954 -13.676 -4.641 330 2HE2 GLN 92 HE22 GLN 92 8.208 -13.093 -6.038 331 HA PRO 93 HA PRO 93 5.459 -6.790 -2.556 332 1HB PRO 93 HB1 PRO 93 3.495 -7.038 -0.670 333 2HB PRO 93 HB2 PRO 93 3.301 -6.157 -2.181 334 1HG PRO 93 HG1 PRO 93 2.284 -8.836 -1.349 335 2HG PRO 93 HG2 PRO 93 1.550 -7.666 -2.425 336 1HD PRO 93 HD1 PRO 93 2.858 -9.976 -3.234 337 2HD PRO 93 HD2 PRO 93 2.741 -8.566 -4.248 338 H GLU 94 HN GLU 94 5.149 -10.138 -1.804 339 HA GLU 94 HA GLU 94 5.491 -10.074 0.899 340 1HB GLU 94 HB1 GLU 94 6.522 -12.233 -1.012 341 2HB GLU 94 HB2 GLU 94 6.526 -12.401 0.750 342 1HG GLU 94 HG1 GLU 94 4.527 -13.424 0.463 343 2HG GLU 94 HG2 GLU 94 3.899 -11.725 0.518 344 H CYS 95 HN CYS 95 7.893 -9.375 -1.556 345 HA CYS 95 HA CYS 95 10.047 -9.757 0.430 346 1HB CYS 95 HB1 CYS 95 9.997 -9.477 -2.605 347 2HB CYS 95 HB2 CYS 95 11.499 -9.420 -1.647 348 HG1 CYS 95 HG1 CYS 95 9.340 -11.870 -2.083 349 H CYS 96 HN CYS 96 8.001 -7.409 0.031 350 HA CYS 96 HA CYS 96 10.106 -5.329 -0.009 351 1HB CYS 96 HB1 CYS 96 7.198 -5.343 -1.064 352 2HB CYS 96 HB2 CYS 96 8.136 -3.911 -0.973 353 HG1 CYS 96 HG1 CYS 96 10.139 -4.639 -2.496 354 H ALA 97 HN ALA 97 9.101 -3.202 0.818 355 HA ALA 97 HA ALA 97 7.466 -3.746 3.213 356 1HB ALA 97 HB3 ALA 97 9.562 -1.532 2.990 357 2HB ALA 97 HB1 ALA 97 8.284 -1.594 4.202 358 3HB ALA 97 HB2 ALA 97 9.483 -2.911 4.232 359 H VAL 98 HN VAL 98 5.559 -2.675 3.153 360 HA VAL 98 HA VAL 98 5.182 -0.707 1.020 361 HB VAL 98 HB VAL 98 3.542 -2.480 1.000 362 1HG1 VAL 98 HG11 VAL 98 3.772 -2.313 3.928 363 2HG1 VAL 98 HG12 VAL 98 2.110 -2.350 3.387 364 3HG1 VAL 98 HG13 VAL 98 3.276 -3.664 2.829 365 1HG2 VAL 98 HG21 VAL 98 2.735 -0.049 0.747 366 2HG2 VAL 98 HG22 VAL 98 1.534 -1.323 1.079 367 3HG2 VAL 98 HG23 VAL 98 2.059 -0.267 2.437 368 H PHE 99 HN PHE 99 4.083 1.284 1.504 369 HA PHE 99 HA PHE 99 4.275 2.190 4.296 370 1HB PHE 99 HB1 PHE 99 5.759 3.326 1.837 371 2HB PHE 99 HB2 PHE 99 5.420 4.320 3.238 372 HD1 PHE 99 HD2 PHE 99 7.060 1.246 1.877 373 HD2 PHE 99 HD1 PHE 99 6.873 3.794 5.323 374 HE1 PHE 99 HE2 PHE 99 9.337 0.648 2.482 375 HE2 PHE 99 HE1 PHE 99 9.049 3.059 5.968 376 HZ PHE 99 HZ PHE 99 10.378 2.277 4.119 377 H ARG 100 HN ARG 100 3.331 4.368 4.501 378 HA ARG 100 HA ARG 100 1.503 5.255 2.256 379 1HB ARG 100 HB1 ARG 100 -0.029 5.051 3.573 380 2HB ARG 100 HB2 ARG 100 1.059 5.060 4.992 381 1HG ARG 100 HG1 ARG 100 1.569 7.442 4.762 382 2HG ARG 100 HG2 ARG 100 0.174 7.553 3.624 383 1HD ARG 100 HD1 ARG 100 -1.001 6.251 5.725 384 2HD ARG 100 HD2 ARG 100 0.445 6.773 6.597 385 HE ARG 100 HE ARG 100 -1.714 8.505 5.186 386 1HH1 ARG 100 HH22 ARG 100 1.520 8.667 6.342 387 2HH1 ARG 100 HH21 ARG 100 1.420 10.339 6.804 388 1HH2 ARG 100 HH12 ARG 100 -2.024 10.599 6.020 389 2HH2 ARG 100 HH11 ARG 100 -0.606 11.470 6.586 390 H LEU 101 HN LEU 101 2.077 7.199 1.449 391 HA LEU 101 HA LEU 101 4.779 7.861 1.786 392 1HB LEU 101 HB1 LEU 101 2.454 9.315 0.317 393 2HB LEU 101 HB2 LEU 101 4.130 9.886 0.221 394 HG LEU 101 HG LEU 101 4.799 7.588 -0.673 395 1HD1 LEU 101 HD23 LEU 101 1.862 7.115 -0.639 396 2HD1 LEU 101 HD21 LEU 101 2.930 6.350 -1.853 397 3HD1 LEU 101 HD22 LEU 101 3.241 6.070 -0.092 398 1HD2 LEU 101 HD11 LEU 101 4.324 9.599 -2.248 399 2HD2 LEU 101 HD12 LEU 101 3.893 8.007 -2.991 400 3HD2 LEU 101 HD13 LEU 101 2.591 9.055 -2.324 401 H LEU 102 HN LEU 102 5.522 10.210 2.103 402 HA LEU 102 HA LEU 102 4.637 11.114 4.534 403 1HB LEU 102 HB1 LEU 102 6.226 12.815 4.392 404 2HB LEU 102 HB2 LEU 102 6.934 11.284 3.973 405 HG LEU 102 HG LEU 102 6.116 13.692 2.193 406 1HD1 LEU 102 HD23 LEU 102 8.291 13.867 3.291 407 2HD1 LEU 102 HD21 LEU 102 8.810 12.310 2.554 408 3HD1 LEU 102 HD22 LEU 102 8.438 13.734 1.496 409 1HD2 LEU 102 HD12 LEU 102 7.049 10.931 1.204 410 2HD2 LEU 102 HD13 LEU 102 5.447 11.770 0.851 411 3HD2 LEU 102 HD11 LEU 102 6.973 12.424 0.207 412 H HIS 103 HN HSP 103 2.478 11.812 4.632 413 HA HIS 103 HA HSP 103 1.916 14.189 2.953 414 1HB HIS 103 HB1 HSP 103 0.072 12.409 4.595 415 2HB HIS 103 HB2 HSP 103 -0.417 13.939 3.785 416 HD1 HIS 103 HD1 HSP 103 -1.929 11.569 2.866 417 HD2 HIS 103 HD2 HSP 103 1.736 12.667 1.104 418 HE1 HIS 103 HE1 HSP 103 -1.943 10.729 0.489 419 HE2 HIS 103 HE2 HSP 103 0.247 11.417 -0.565 420 H GLU 104 HN GLU 104 3.305 13.225 5.865 421 HA GLU 104 HA GLU 104 3.122 15.952 6.916 422 1HB GLU 104 HB1 GLU 104 2.277 15.581 8.997 423 2HB GLU 104 HB2 GLU 104 1.060 15.258 7.760 424 1HG GLU 104 HG1 GLU 104 2.729 13.077 9.200 425 2HG GLU 104 HG2 GLU 104 1.071 13.605 9.635 426 H HIS 105 HN HSP 105 5.205 14.123 5.783 427 HA HIS 105 HA HSP 105 6.890 14.158 8.168 428 1HB HIS 105 HB1 HSP 105 7.737 11.956 6.402 429 2HB HIS 105 HB2 HSP 105 7.673 12.028 8.153 430 HD1 HIS 105 HD1 HSP 105 4.908 11.909 8.979 431 HD2 HIS 105 HD2 HSP 105 6.205 9.902 5.543 432 HE1 HIS 105 HE1 HSP 105 3.326 9.961 8.600 433 HE2 HIS 105 HE2 HSP 105 4.179 8.753 6.553 434 H LYS 106 HN LYS 106 9.304 14.053 7.338 435 HA LYS 106 HA LYS 106 9.430 15.130 4.586 436 1HB LYS 106 HB1 LYS 106 9.864 16.854 6.319 437 2HB LYS 106 HB2 LYS 106 11.062 15.772 7.088 438 1HG LYS 106 HG1 LYS 106 12.373 17.231 5.847 439 2HG LYS 106 HG2 LYS 106 12.351 15.811 4.835 440 1HD LYS 106 HD1 LYS 106 10.434 16.848 3.460 441 2HD LYS 106 HD2 LYS 106 10.593 18.328 4.429 442 1HE LYS 106 HE1 LYS 106 12.877 17.063 2.758 443 2HE LYS 106 HE2 LYS 106 11.789 18.387 2.180 444 1HZ LYS 106 HZ2 LYS 106 12.519 19.731 4.019 445 2HZ LYS 106 HZ3 LYS 106 13.551 18.499 4.561 446 3HZ LYS 106 HZ1 LYS 106 13.830 19.238 3.056 447 H GLY 107 HN GLY 107 10.616 13.917 3.258 448 1HA GLY 107 HA2 GLY 107 12.511 12.871 2.651 449 2HA GLY 107 HA1 GLY 107 12.934 12.520 4.351 450 H LYS 108 HN LYS 108 11.056 10.996 5.459 451 HA LYS 108 HA LYS 108 11.389 8.650 3.855 452 1HB LYS 108 HB1 LYS 108 11.585 9.460 6.606 453 2HB LYS 108 HB2 LYS 108 10.167 8.547 6.609 454 1HG LYS 108 HG1 LYS 108 12.623 7.424 5.066 455 2HG LYS 108 HG2 LYS 108 12.927 7.782 6.744 456 1HD LYS 108 HD1 LYS 108 10.557 5.996 5.789 457 2HD LYS 108 HD2 LYS 108 12.175 5.335 6.048 458 1HE LYS 108 HE1 LYS 108 11.037 4.846 8.067 459 2HE LYS 108 HE2 LYS 108 12.133 6.229 8.459 460 1HZ LYS 108 HZ2 LYS 108 9.262 6.482 7.696 461 2HZ LYS 108 HZ3 LYS 108 9.843 6.424 9.293 462 3HZ LYS 108 HZ1 LYS 108 10.299 7.702 8.273 463 H LYS 109 HN LYS 109 9.406 7.224 5.294 464 HA LYS 109 HA LYS 109 6.818 8.256 4.323 465 1HB LYS 109 HB1 LYS 109 8.440 5.879 3.494 466 2HB LYS 109 HB2 LYS 109 7.062 5.428 3.795 467 1HG LYS 109 HG1 LYS 109 7.021 7.939 2.037 468 2HG LYS 109 HG2 LYS 109 8.551 7.219 1.792 469 1HD LYS 109 HD1 LYS 109 5.982 5.617 1.325 470 2HD LYS 109 HD2 LYS 109 6.835 6.451 0.081 471 1HE LYS 109 HE1 LYS 109 8.225 4.378 1.898 472 2HE LYS 109 HE2 LYS 109 7.392 3.920 0.354 473 1HZ LYS 109 HZ1 LYS 109 8.841 5.537 -0.762 474 2HZ LYS 109 HZ2 LYS 109 9.685 5.772 0.699 475 3HZ LYS 109 HZ3 LYS 109 9.677 4.247 -0.093 476 H ALA 110 HN ALA 110 5.162 6.572 5.098 477 HA ALA 110 HA ALA 110 5.787 6.133 7.968 478 1HB ALA 110 HB3 ALA 110 3.028 6.557 6.818 479 2HB ALA 110 HB1 ALA 110 3.390 5.822 8.437 480 3HB ALA 110 HB2 ALA 110 3.879 7.502 8.128 481 H ARG 111 HN ARG 111 6.136 3.926 8.433 482 HA ARG 111 HA ARG 111 5.695 2.199 6.152 483 1HB ARG 111 HB1 ARG 111 7.903 2.526 7.470 484 2HB ARG 111 HB2 ARG 111 7.057 1.794 8.853 485 1HG ARG 111 HG1 ARG 111 6.840 0.167 6.369 486 2HG ARG 111 HG2 ARG 111 8.489 0.435 6.921 487 1HD ARG 111 HD1 ARG 111 7.801 -0.294 9.264 488 2HD ARG 111 HD2 ARG 111 6.189 -0.549 8.709 489 HE ARG 111 HE ARG 111 7.042 -2.378 7.118 490 1HH1 ARG 111 HH22 ARG 111 9.690 -0.586 8.455 491 2HH1 ARG 111 HH21 ARG 111 10.888 -1.695 7.850 492 1HH2 ARG 111 HH12 ARG 111 8.559 -4.131 6.869 493 2HH2 ARG 111 HH11 ARG 111 10.237 -3.687 6.893 494 H LEU 112 HN LEU 112 4.569 0.350 6.327 495 HA LEU 112 HA LEU 112 2.546 0.397 8.499 496 1HB LEU 112 HB1 LEU 112 2.305 -0.373 5.548 497 2HB LEU 112 HB2 LEU 112 0.997 -0.489 6.748 498 HG LEU 112 HG LEU 112 2.428 2.085 6.035 499 1HD1 LEU 112 HD12 LEU 112 1.287 1.239 4.030 500 2HD1 LEU 112 HD13 LEU 112 -0.244 1.038 4.965 501 3HD1 LEU 112 HD11 LEU 112 0.440 2.690 4.689 502 1HD2 LEU 112 HD23 LEU 112 -0.084 1.690 7.659 503 2HD2 LEU 112 HD21 LEU 112 1.534 2.281 8.209 504 3HD2 LEU 112 HD22 LEU 112 0.569 3.265 7.057 505 H ASP 113 HN ASP 113 1.195 -1.783 8.023 506 HA ASP 113 HA ASP 113 3.202 -3.851 8.462 507 1HB ASP 113 HB1 ASP 113 1.626 -3.355 10.429 508 2HB ASP 113 HB2 ASP 113 0.290 -4.006 9.382 509 H TRP 114 HN TRP 114 3.098 -5.646 7.081 510 HA TRP 114 HA TRP 114 1.628 -5.541 5.136 511 1HB TRP 114 HB1 TRP 114 3.341 -7.710 6.440 512 2HB TRP 114 HB2 TRP 114 2.184 -8.456 5.326 513 HD1 TRP 114 HD1 TRP 114 5.569 -8.065 4.777 514 HE1 TRP 114 HE1 TRP 114 6.278 -6.770 2.634 515 HE3 TRP 114 HE3 TRP 114 1.116 -6.409 3.630 516 HZ2 TRP 114 HZ2 TRP 114 4.789 -5.420 0.479 517 HZ3 TRP 114 HZ3 TRP 114 0.654 -5.243 1.482 518 HH2 TRP 114 HH2 TRP 114 2.397 -4.913 -0.108 519 H ASN 115 HN ASN 115 0.355 -6.323 8.073 520 HA ASN 115 HA ASN 115 -2.055 -7.410 6.736 521 1HB ASN 115 HB1 ASN 115 -0.719 -8.174 9.086 522 2HB ASN 115 HB2 ASN 115 -1.842 -7.041 9.749 523 1HD2 ASN 115 HD21 ASN 115 -4.802 -8.922 8.734 524 2HD2 ASN 115 HD22 ASN 115 -4.210 -7.295 8.849 525 H THR 116 HN THR 116 -0.999 -4.494 6.686 526 HA THR 116 HA THR 116 -2.162 -3.431 8.818 527 HB THR 116 HB THR 116 -0.305 -2.338 7.104 528 HG1 THR 116 HG1 THR 116 -1.037 -0.998 9.271 529 1HG2 THR 116 HG21 THR 116 -2.625 -0.772 6.581 530 2HG2 THR 116 HG22 THR 116 -2.369 -0.284 8.282 531 3HG2 THR 116 HG23 THR 116 -1.089 0.042 7.031 532 H ASP 117 HN ASP 117 -3.979 -1.958 9.055 533 HA ASP 117 HA ASP 117 -6.340 -2.526 7.433 534 1HB ASP 117 HB1 ASP 117 -6.353 -2.016 9.925 535 2HB ASP 117 HB2 ASP 117 -5.871 -0.336 9.510 536 H ALA 118 HN ALA 118 -5.532 -1.970 5.361 537 HA ALA 118 HA ALA 118 -4.622 0.505 4.412 538 1HB ALA 118 HB3 ALA 118 -5.229 -1.881 3.297 539 2HB ALA 118 HB1 ALA 118 -6.873 -1.191 3.136 540 3HB ALA 118 HB2 ALA 118 -5.481 -0.381 2.312 541 H ALA 119 HN ALA 119 -7.789 -0.409 5.702 542 HA ALA 119 HA ALA 119 -9.346 1.755 4.555 543 1HB ALA 119 HB3 ALA 119 -9.116 -0.496 6.691 544 2HB ALA 119 HB1 ALA 119 -10.496 0.708 6.869 545 3HB ALA 119 HB2 ALA 119 -10.343 -0.348 5.406 546 H SER 120 HN SER 120 -6.802 1.629 6.964 547 HA SER 120 HA SER 120 -7.892 4.051 8.261 548 1HB SER 120 HB1 SER 120 -5.494 2.296 8.935 549 2HB SER 120 HB2 SER 120 -5.941 3.817 9.790 550 HG SER 120 HG1 SER 120 -7.676 1.574 9.478 551 H LEU 121 HN LEU 121 -5.844 3.008 5.690 552 HA LEU 121 HA LEU 121 -4.299 5.560 5.738 553 1HB LEU 121 HB1 LEU 121 -3.968 3.111 3.915 554 2HB LEU 121 HB2 LEU 121 -2.929 4.461 3.965 555 HG LEU 121 HG LEU 121 -1.692 2.983 5.309 556 1HD1 LEU 121 HD21 LEU 121 -2.238 4.991 6.758 557 2HD1 LEU 121 HD22 LEU 121 -3.609 4.100 7.434 558 3HD1 LEU 121 HD23 LEU 121 -1.928 3.456 7.705 559 1HD2 LEU 121 HD13 LEU 121 -4.410 1.840 5.963 560 2HD2 LEU 121 HD11 LEU 121 -2.896 1.001 5.446 561 3HD2 LEU 121 HD12 LEU 121 -3.097 1.593 7.166 562 H ILE 122 HN ILE 122 -6.932 4.214 4.898 563 HA ILE 122 HA ILE 122 -7.455 4.729 2.351 564 HB ILE 122 HB ILE 122 -9.069 3.913 4.321 565 1HG1 ILE 122 HG11 ILE 122 -10.934 3.734 2.751 566 2HG1 ILE 122 HG12 ILE 122 -9.931 4.624 1.554 567 1HG2 ILE 122 HG23 ILE 122 -9.684 6.178 5.122 568 2HG2 ILE 122 HG21 ILE 122 -10.390 6.522 3.474 569 3HG2 ILE 122 HG22 ILE 122 -11.103 5.244 4.485 570 1HD1 ILE 122 HD2 ILE 122 -8.421 2.376 2.691 571 2HD1 ILE 122 HD3 ILE 122 -10.023 1.854 2.019 572 3HD1 ILE 122 HD1 ILE 122 -8.930 2.700 0.957 573 H GLY 123 HN GLY 123 -8.182 6.281 1.063 574 1HA GLY 123 HA2 GLY 123 -8.235 8.356 0.164 575 2HA GLY 123 HA1 GLY 123 -8.532 8.953 1.834 576 H GLU 124 HN GLU 124 -5.597 7.160 0.769 577 HA GLU 124 HA GLU 124 -4.058 9.675 0.971 578 1HB GLU 124 HB1 GLU 124 -3.253 7.013 2.217 579 2HB GLU 124 HB2 GLU 124 -2.366 8.544 2.289 580 1HG GLU 124 HG1 GLU 124 -5.222 8.351 3.431 581 2HG GLU 124 HG2 GLU 124 -3.919 7.617 4.288 582 H GLU 125 HN GLU 125 -1.600 8.363 0.718 583 HA GLU 125 HA GLU 125 -1.824 6.938 -1.875 584 1HB GLU 125 HB1 GLU 125 0.262 8.996 -1.034 585 2HB GLU 125 HB2 GLU 125 0.556 7.793 -2.297 586 1HG GLU 125 HG1 GLU 125 -0.461 8.722 -3.926 587 2HG GLU 125 HG2 GLU 125 -1.962 8.948 -2.980 588 H LEU 126 HN LEU 126 -0.854 4.926 -1.717 589 HA LEU 126 HA LEU 126 1.146 4.718 0.317 590 1HB LEU 126 HB1 LEU 126 -0.676 2.655 -1.028 591 2HB LEU 126 HB2 LEU 126 0.813 2.102 -0.304 592 HG LEU 126 HG LEU 126 -0.152 3.679 1.756 593 1HD1 LEU 126 HD21 LEU 126 -2.591 2.879 0.375 594 2HD1 LEU 126 HD22 LEU 126 -2.460 3.075 2.173 595 3HD1 LEU 126 HD23 LEU 126 -2.013 4.450 1.128 596 1HD2 LEU 126 HD11 LEU 126 0.788 1.356 1.962 597 2HD2 LEU 126 HD12 LEU 126 -0.789 1.526 2.859 598 3HD2 LEU 126 HD13 LEU 126 -0.738 0.685 1.273 599 H GLN 127 HN GLN 127 2.925 3.107 -0.098 600 HA GLN 127 HA GLN 127 3.729 3.050 -2.901 601 1HB GLN 127 HB1 GLN 127 4.711 5.251 -1.767 602 2HB GLN 127 HB2 GLN 127 5.719 4.131 -0.856 603 1HG GLN 127 HG1 GLN 127 5.986 3.313 -3.620 604 2HG GLN 127 HG2 GLN 127 5.902 5.152 -3.653 605 1HE2 GLN 127 HE21 GLN 127 9.326 3.623 -2.284 606 2HE2 GLN 127 HE22 GLN 127 8.070 2.580 -2.879 607 H VAL 128 HN VAL 128 5.397 1.424 -3.203 608 HA VAL 128 HA VAL 128 5.863 -0.192 -0.762 609 HB VAL 128 HB VAL 128 5.326 -1.134 -3.581 610 1HG1 VAL 128 HG12 VAL 128 6.625 -2.691 -1.257 611 2HG1 VAL 128 HG13 VAL 128 5.994 -3.416 -2.789 612 3HG1 VAL 128 HG11 VAL 128 7.395 -2.305 -2.861 613 1HG2 VAL 128 HG23 VAL 128 3.396 -0.990 -1.964 614 2HG2 VAL 128 HG21 VAL 128 3.764 -2.651 -2.558 615 3HG2 VAL 128 HG22 VAL 128 4.262 -2.155 -0.884 616 H ASP 129 HN ASP 129 8.007 -0.852 -0.436 617 HA ASP 129 HA ASP 129 9.909 0.225 -2.397 618 1HB ASP 129 HB1 ASP 129 9.317 1.510 0.096 619 2HB ASP 129 HB2 ASP 129 10.721 0.478 0.511 620 H PHE 130 HN PHE 130 12.260 -0.469 -0.960 621 HA PHE 130 HA PHE 130 12.133 -3.313 -1.119 622 1HB PHE 130 HB1 PHE 130 14.296 -1.424 -0.007 623 2HB PHE 130 HB2 PHE 130 14.502 -3.197 -0.248 624 HD1 PHE 130 HD1 PHE 130 14.417 -4.178 -2.533 625 HD2 PHE 130 HD2 PHE 130 14.253 0.064 -1.952 626 HE1 PHE 130 HE1 PHE 130 14.905 -3.816 -4.904 627 HE2 PHE 130 HE2 PHE 130 14.741 0.399 -4.322 628 HZ PHE 130 HZ PHE 130 15.064 -1.537 -5.811 629 H LEU 131 HN LEU 131 13.105 -4.586 0.887 630 HA LEU 131 HA LEU 131 11.327 -4.232 3.055 631 1HB LEU 131 HB1 LEU 131 13.726 -6.015 2.652 632 2HB LEU 131 HB2 LEU 131 12.612 -6.041 4.138 633 HG LEU 131 HG LEU 131 11.374 -6.384 1.463 634 1HD1 LEU 131 HD22 LEU 131 12.984 -8.478 3.001 635 2HD1 LEU 131 HD23 LEU 131 11.628 -8.895 1.892 636 3HD1 LEU 131 HD21 LEU 131 13.092 -8.029 1.261 637 1HD2 LEU 131 HD12 LEU 131 10.001 -6.077 3.544 638 2HD2 LEU 131 HD13 LEU 131 9.785 -7.699 2.768 639 3HD2 LEU 131 HD11 LEU 131 10.797 -7.514 4.259 640 H ASP 132 HN ASP 132 13.952 -5.089 4.658 641 HA ASP 132 HA ASP 132 14.628 -2.302 5.464 642 1HB ASP 132 HB1 ASP 132 14.195 -4.729 7.287 643 2HB ASP 132 HB2 ASP 132 14.717 -3.067 7.797 No H/Q in entry = 643 Start of MODEL 5 1 1H SER 55 HT1 SER 55 -13.931 7.268 2.732 2 2H SER 55 HT3 SER 55 -12.281 7.408 3.015 3 3H SER 55 HT2 SER 55 -13.104 8.661 2.199 4 HA SER 55 HA SER 55 -13.447 7.353 0.304 5 1HB SER 55 HB1 SER 55 -11.065 8.320 0.792 6 2HB SER 55 HB2 SER 55 -10.607 6.615 1.170 7 HG SER 55 HG1 SER 55 -10.293 7.270 -1.028 8 H ASN 56 HN ASN 56 -12.273 5.215 -0.727 9 HA ASN 56 HA ASN 56 -12.446 2.954 1.105 10 1HB ASN 56 HB1 ASN 56 -14.808 3.529 0.130 11 2HB ASN 56 HB2 ASN 56 -14.137 2.824 -1.410 12 1HD2 ASN 56 HD21 ASN 56 -13.851 -0.458 0.342 13 2HD2 ASN 56 HD22 ASN 56 -12.957 0.549 -0.748 14 H THR 57 HN THR 57 -10.599 4.650 -0.712 15 HA THR 57 HA THR 57 -9.497 2.369 -2.192 16 HB THR 57 HB THR 57 -9.239 3.574 -4.245 17 HG1 THR 57 HG1 THR 57 -10.469 5.746 -4.114 18 1HG2 THR 57 HG21 THR 57 -11.655 2.712 -3.832 19 2HG2 THR 57 HG22 THR 57 -12.077 4.387 -3.308 20 3HG2 THR 57 HG23 THR 57 -11.510 4.076 -5.002 21 H ILE 58 HN ILE 58 -7.202 2.827 -2.796 22 HA ILE 58 HA ILE 58 -6.103 5.205 -1.619 23 HB ILE 58 HB ILE 58 -4.457 2.818 -0.871 24 1HG1 ILE 58 HG11 ILE 58 -6.978 3.289 0.748 25 2HG1 ILE 58 HG12 ILE 58 -6.641 1.891 -0.312 26 1HG2 ILE 58 HG23 ILE 58 -5.214 5.414 0.573 27 2HG2 ILE 58 HG21 ILE 58 -4.214 4.151 1.281 28 3HG2 ILE 58 HG22 ILE 58 -3.624 4.970 -0.217 29 1HD1 ILE 58 HD2 ILE 58 -4.590 1.343 1.041 30 2HD1 ILE 58 HD3 ILE 58 -5.061 2.666 2.202 31 3HD1 ILE 58 HD1 ILE 58 -6.135 1.276 1.987 32 H ARG 59 HN ARG 59 -3.575 5.294 -2.302 33 HA ARG 59 HA ARG 59 -3.578 4.105 -4.985 34 1HB ARG 59 HB1 ARG 59 -2.199 6.469 -3.648 35 2HB ARG 59 HB2 ARG 59 -1.638 5.781 -5.202 36 1HG ARG 59 HG1 ARG 59 -2.956 7.464 -5.917 37 2HG ARG 59 HG2 ARG 59 -4.016 6.078 -6.120 38 1HD ARG 59 HD1 ARG 59 -5.511 7.597 -5.151 39 2HD ARG 59 HD2 ARG 59 -4.904 6.774 -3.663 40 HE ARG 59 HE ARG 59 -3.648 9.341 -4.729 41 1HH1 ARG 59 HH22 ARG 59 -6.256 8.128 -2.880 42 2HH1 ARG 59 HH21 ARG 59 -6.468 9.631 -2.051 43 1HH2 ARG 59 HH12 ARG 59 -3.370 10.977 -2.997 44 2HH2 ARG 59 HH11 ARG 59 -4.872 11.282 -2.214 45 H VAL 60 HN VAL 60 -1.610 3.221 -5.744 46 HA VAL 60 HA VAL 60 0.243 2.408 -3.583 47 HB VAL 60 HB VAL 60 -0.396 0.487 -5.819 48 1HG1 VAL 60 HG12 VAL 60 1.776 0.264 -4.620 49 2HG1 VAL 60 HG13 VAL 60 0.895 0.068 -3.080 50 3HG1 VAL 60 HG11 VAL 60 0.667 -1.159 -4.403 51 1HG2 VAL 60 HG23 VAL 60 -1.716 0.480 -3.055 52 2HG2 VAL 60 HG21 VAL 60 -2.530 0.727 -4.648 53 3HG2 VAL 60 HG22 VAL 60 -1.758 -0.859 -4.272 54 H PHE 61 HN PHE 61 2.002 3.522 -4.096 55 HA PHE 61 HA PHE 61 2.608 4.037 -6.930 56 1HB PHE 61 HB1 PHE 61 3.555 5.165 -4.300 57 2HB PHE 61 HB2 PHE 61 4.575 5.321 -5.870 58 HD1 PHE 61 HD2 PHE 61 0.978 5.606 -4.679 59 HD2 PHE 61 HD1 PHE 61 4.180 7.324 -6.946 60 HE1 PHE 61 HE2 PHE 61 -0.397 7.556 -5.154 61 HE2 PHE 61 HE1 PHE 61 2.836 9.343 -7.260 62 HZ PHE 61 HZ PHE 61 0.585 9.504 -6.267 63 H LEU 62 HN LEU 62 4.569 3.221 -7.944 64 HA LEU 62 HA LEU 62 5.163 0.656 -6.643 65 1HB LEU 62 HB1 LEU 62 5.782 1.792 -9.406 66 2HB LEU 62 HB2 LEU 62 6.400 0.231 -8.848 67 HG LEU 62 HG LEU 62 3.919 0.661 -10.118 68 1HD1 LEU 62 HD12 LEU 62 5.001 -1.788 -8.696 69 2HD1 LEU 62 HD13 LEU 62 3.629 -1.725 -9.890 70 3HD1 LEU 62 HD11 LEU 62 5.281 -1.281 -10.420 71 1HD2 LEU 62 HD22 LEU 62 2.779 1.360 -8.105 72 2HD2 LEU 62 HD23 LEU 62 2.236 -0.250 -8.633 73 3HD2 LEU 62 HD21 LEU 62 3.353 -0.164 -7.242 74 HA PRO 63 HA PRO 63 9.176 2.060 -5.768 75 1HB PRO 63 HB1 PRO 63 10.284 -0.574 -6.502 76 2HB PRO 63 HB2 PRO 63 10.385 0.285 -4.985 77 1HG PRO 63 HG1 PRO 63 8.764 -1.928 -5.536 78 2HG PRO 63 HG2 PRO 63 8.524 -0.886 -4.202 79 1HD PRO 63 HD1 PRO 63 6.735 -1.139 -6.399 80 2HD PRO 63 HD2 PRO 63 6.604 -0.033 -5.138 81 H ASN 64 HN ASN 64 8.039 0.815 -8.789 82 HA ASN 64 HA ASN 64 10.501 1.596 -10.137 83 1HB ASN 64 HB1 ASN 64 8.767 -0.415 -10.788 84 2HB ASN 64 HB2 ASN 64 7.949 0.928 -11.663 85 1HD2 ASN 64 HD21 ASN 64 10.772 1.368 -13.949 86 2HD2 ASN 64 HD22 ASN 64 9.540 2.259 -13.116 87 H LYS 65 HN LYS 65 8.517 3.344 -8.500 88 HA LYS 65 HA LYS 65 8.068 5.481 -8.576 89 1HB LYS 65 HB1 LYS 65 8.876 5.700 -11.503 90 2HB LYS 65 HB2 LYS 65 8.777 6.998 -10.287 91 1HG LYS 65 HG1 LYS 65 10.746 4.633 -10.162 92 2HG LYS 65 HG2 LYS 65 11.130 6.202 -10.871 93 1HD LYS 65 HD1 LYS 65 11.873 6.830 -8.819 94 2HD LYS 65 HD2 LYS 65 10.157 7.013 -8.380 95 1HE LYS 65 HE1 LYS 65 11.314 5.687 -6.667 96 2HE LYS 65 HE2 LYS 65 10.117 4.643 -7.519 97 1HZ LYS 65 HZ1 LYS 65 12.442 4.458 -8.963 98 2HZ LYS 65 HZ2 LYS 65 12.934 4.412 -7.335 99 3HZ LYS 65 HZ3 LYS 65 11.778 3.297 -7.912 100 H GLN 66 HN GLN 66 6.660 3.159 -10.451 101 HA GLN 66 HA GLN 66 4.717 4.733 -11.573 102 1HB GLN 66 HB1 GLN 66 5.235 1.799 -11.322 103 2HB GLN 66 HB2 GLN 66 3.513 2.145 -11.389 104 1HG GLN 66 HG1 GLN 66 5.616 3.216 -13.395 105 2HG GLN 66 HG2 GLN 66 4.867 1.618 -13.559 106 1HE2 GLN 66 HE21 GLN 66 1.575 2.900 -14.407 107 2HE2 GLN 66 HE22 GLN 66 2.485 1.513 -13.950 108 H ARG 67 HN ARG 67 2.196 3.769 -11.203 109 HA ARG 67 HA ARG 67 1.708 3.471 -8.455 110 1HB ARG 67 HB1 ARG 67 0.232 5.543 -8.280 111 2HB ARG 67 HB2 ARG 67 1.961 5.894 -8.321 112 1HG ARG 67 HG1 ARG 67 0.535 5.812 -11.002 113 2HG ARG 67 HG2 ARG 67 -0.017 7.054 -9.902 114 1HD ARG 67 HD1 ARG 67 1.684 8.372 -10.579 115 2HD ARG 67 HD2 ARG 67 2.792 7.276 -9.647 116 HE ARG 67 HE ARG 67 2.040 6.622 -12.514 117 1HH1 ARG 67 HH22 ARG 67 4.151 8.546 -10.606 118 2HH1 ARG 67 HH21 ARG 67 5.278 8.716 -11.896 119 1HH2 ARG 67 HH12 ARG 67 3.968 6.058 -13.772 120 2HH2 ARG 67 HH11 ARG 67 5.144 7.323 -13.738 121 H THR 68 HN THR 68 -0.717 3.461 -8.033 122 HA THR 68 HA THR 68 -2.463 3.401 -10.267 123 HB THR 68 HB THR 68 -1.425 1.140 -10.632 124 HG1 THR 68 HG1 THR 68 -3.896 0.530 -9.636 125 1HG2 THR 68 HG23 THR 68 -2.513 0.501 -7.813 126 2HG2 THR 68 HG21 THR 68 -1.869 -0.686 -8.991 127 3HG2 THR 68 HG22 THR 68 -0.773 0.578 -8.281 128 H VAL 69 HN VAL 69 -4.736 2.656 -9.394 129 HA VAL 69 HA VAL 69 -4.833 3.355 -6.511 130 HB VAL 69 HB VAL 69 -6.049 5.039 -7.554 131 1HG1 VAL 69 HG12 VAL 69 -7.456 2.896 -9.257 132 2HG1 VAL 69 HG13 VAL 69 -7.880 4.647 -9.194 133 3HG1 VAL 69 HG11 VAL 69 -6.280 4.146 -9.845 134 1HG2 VAL 69 HG22 VAL 69 -7.094 4.072 -5.578 135 2HG2 VAL 69 HG23 VAL 69 -8.229 4.870 -6.727 136 3HG2 VAL 69 HG21 VAL 69 -8.155 3.076 -6.667 137 H VAL 70 HN VAL 70 -6.002 1.982 -5.173 138 HA VAL 70 HA VAL 70 -7.070 -0.446 -6.477 139 HB VAL 70 HB VAL 70 -6.204 -1.820 -4.638 140 1HG1 VAL 70 HG13 VAL 70 -4.007 -0.336 -6.171 141 2HG1 VAL 70 HG11 VAL 70 -3.834 -1.914 -5.306 142 3HG1 VAL 70 HG12 VAL 70 -4.928 -1.777 -6.744 143 1HG2 VAL 70 HG23 VAL 70 -4.612 0.670 -3.814 144 2HG2 VAL 70 HG21 VAL 70 -5.882 -0.194 -2.852 145 3HG2 VAL 70 HG22 VAL 70 -4.328 -1.027 -3.229 146 H ASN 71 HN ASN 71 -8.615 -1.592 -5.047 147 HA ASN 71 HA ASN 71 -10.099 0.420 -3.453 148 1HB ASN 71 HB1 ASN 71 -11.135 -2.157 -4.744 149 2HB ASN 71 HB2 ASN 71 -12.094 -0.979 -3.782 150 1HD2 ASN 71 HD21 ASN 71 -11.454 -0.182 -7.720 151 2HD2 ASN 71 HD22 ASN 71 -10.984 -1.677 -6.992 152 H VAL 72 HN VAL 72 -10.749 -0.181 -1.346 153 HA VAL 72 HA VAL 72 -9.429 -2.663 -0.361 154 HB VAL 72 HB VAL 72 -9.913 -0.344 1.458 155 1HG1 VAL 72 HG13 VAL 72 -8.923 -2.798 1.994 156 2HG1 VAL 72 HG11 VAL 72 -7.413 -2.071 1.373 157 3HG1 VAL 72 HG12 VAL 72 -8.271 -1.309 2.779 158 1HG2 VAL 72 HG22 VAL 72 -8.783 0.768 -0.426 159 2HG2 VAL 72 HG23 VAL 72 -7.757 0.645 1.038 160 3HG2 VAL 72 HG21 VAL 72 -7.463 -0.468 -0.361 161 H ARG 73 HN ARG 73 -10.534 -2.540 2.203 162 HA ARG 73 HA ARG 73 -13.260 -1.969 2.185 163 1HB ARG 73 HB1 ARG 73 -12.576 -4.649 1.141 164 2HB ARG 73 HB2 ARG 73 -13.409 -4.824 2.675 165 1HG ARG 73 HG1 ARG 73 -14.546 -2.983 0.487 166 2HG ARG 73 HG2 ARG 73 -14.753 -4.710 0.369 167 1HD ARG 73 HD1 ARG 73 -16.759 -3.977 1.453 168 2HD ARG 73 HD2 ARG 73 -15.767 -4.893 2.656 169 HE ARG 73 HE ARG 73 -16.354 -2.789 3.783 170 1HH1 ARG 73 HH22 ARG 73 -16.212 -2.030 0.574 171 2HH1 ARG 73 HH21 ARG 73 -16.126 -0.323 0.886 172 1HH2 ARG 73 HH12 ARG 73 -15.650 -0.653 4.345 173 2HH2 ARG 73 HH11 ARG 73 -15.812 0.454 3.003 174 H ASN 74 HN ASN 74 -14.241 -3.183 4.272 175 HA ASN 74 HA ASN 74 -12.169 -2.837 6.313 176 1HB ASN 74 HB1 ASN 74 -15.110 -3.545 6.701 177 2HB ASN 74 HB2 ASN 74 -13.956 -3.061 7.964 178 1HD2 ASN 74 HD21 ASN 74 -13.822 0.438 7.026 179 2HD2 ASN 74 HD22 ASN 74 -12.894 -0.845 7.724 180 H GLY 75 HN GLY 75 -11.057 -4.546 7.069 181 1HA GLY 75 HA2 GLY 75 -11.113 -6.763 7.880 182 2HA GLY 75 HA1 GLY 75 -12.195 -7.229 6.524 183 H MET 76 HN MET 76 -10.615 -5.352 4.708 184 HA MET 76 HA MET 76 -8.769 -7.289 3.859 185 1HB MET 76 HB1 MET 76 -9.654 -4.592 2.905 186 2HB MET 76 HB2 MET 76 -8.038 -5.017 2.451 187 1HG MET 76 HG1 MET 76 -8.602 -7.078 1.371 188 2HG MET 76 HG2 MET 76 -10.197 -7.099 1.975 189 1HE MET 76 HE3 MET 76 -11.717 -7.066 -0.095 190 2HE MET 76 HE1 MET 76 -11.407 -6.188 -1.617 191 3HE MET 76 HE2 MET 76 -10.264 -7.467 -1.076 192 H SER 77 HN SER 77 -6.502 -6.665 3.274 193 HA SER 77 HA SER 77 -5.205 -5.567 5.740 194 1HB SER 77 HB1 SER 77 -4.025 -7.529 3.777 195 2HB SER 77 HB2 SER 77 -3.387 -7.070 5.214 196 HG SER 77 HG1 SER 77 -5.030 -9.076 4.853 197 H LEU 78 HN LEU 78 -2.872 -4.955 5.092 198 HA LEU 78 HA LEU 78 -2.598 -3.526 2.795 199 1HB LEU 78 HB1 LEU 78 -0.906 -4.484 5.052 200 2HB LEU 78 HB2 LEU 78 0.023 -4.170 3.539 201 HG LEU 78 HG LEU 78 0.004 -2.222 5.008 202 1HD1 LEU 78 HD21 LEU 78 -0.228 -2.357 2.212 203 2HD1 LEU 78 HD22 LEU 78 -1.705 -1.513 2.623 204 3HD1 LEU 78 HD23 LEU 78 -0.286 -0.706 3.215 205 1HD2 LEU 78 HD12 LEU 78 -2.893 -2.101 4.192 206 2HD2 LEU 78 HD13 LEU 78 -2.171 -2.094 5.795 207 3HD2 LEU 78 HD11 LEU 78 -1.898 -0.671 4.707 208 H HIS 79 HN HSP 79 -1.138 -6.555 3.471 209 HA HIS 79 HA HSP 79 -0.380 -7.285 1.073 210 1HB HIS 79 HB1 HSP 79 -0.797 -8.803 3.552 211 2HB HIS 79 HB2 HSP 79 -1.078 -9.811 2.153 212 HD1 HIS 79 HD1 HSP 79 1.134 -8.429 0.284 213 HD2 HIS 79 HD2 HSP 79 1.764 -9.665 4.225 214 HE1 HIS 79 HE1 HSP 79 3.653 -8.583 0.715 215 HE2 HIS 79 HE2 HSP 79 3.939 -9.583 2.947 216 H ASP 80 HN ASP 80 -3.620 -8.202 2.443 217 HA ASP 80 HA ASP 80 -4.269 -9.500 -0.019 218 1HB ASP 80 HB1 ASP 80 -6.135 -8.454 2.246 219 2HB ASP 80 HB2 ASP 80 -6.599 -9.646 0.980 220 H CYS 81 HN CYS 81 -4.335 -6.250 1.241 221 HA CYS 81 HA CYS 81 -5.917 -5.284 -0.973 222 1HB CYS 81 HB1 CYS 81 -5.651 -3.960 1.146 223 2HB CYS 81 HB2 CYS 81 -3.977 -4.166 1.180 224 HG1 CYS 81 HG1 CYS 81 -3.967 -2.662 -1.333 225 H LEU 82 HN LEU 82 -2.422 -5.064 -0.125 226 HA LEU 82 HA LEU 82 -1.811 -4.794 -2.809 227 1HB LEU 82 HB1 LEU 82 0.005 -5.177 -0.492 228 2HB LEU 82 HB2 LEU 82 0.572 -5.086 -2.122 229 HG LEU 82 HG LEU 82 -0.525 -3.198 -2.697 230 1HD1 LEU 82 HD12 LEU 82 -1.984 -2.920 -0.350 231 2HD1 LEU 82 HD13 LEU 82 -1.582 -1.536 -1.438 232 3HD1 LEU 82 HD11 LEU 82 -2.390 -2.962 -2.150 233 1HD2 LEU 82 HD22 LEU 82 1.839 -2.899 -1.923 234 2HD2 LEU 82 HD23 LEU 82 0.894 -1.450 -1.563 235 3HD2 LEU 82 HD21 LEU 82 1.169 -2.548 -0.209 236 H MET 83 HN MET 83 -3.090 -6.671 -2.858 237 HA MET 83 HA MET 83 -1.459 -8.853 -3.917 238 1HB MET 83 HB1 MET 83 -2.762 -9.767 -2.053 239 2HB MET 83 HB2 MET 83 -4.108 -8.657 -2.355 240 1HG MET 83 HG1 MET 83 -5.096 -9.992 -3.991 241 2HG MET 83 HG2 MET 83 -3.548 -10.693 -4.477 242 1HE MET 83 HE1 MET 83 -5.997 -10.260 -1.403 243 2HE MET 83 HE2 MET 83 -6.845 -11.358 -2.536 244 3HE MET 83 HE3 MET 83 -6.323 -11.960 -0.928 245 H LYS 84 HN LYS 84 -4.765 -7.457 -4.319 246 HA LYS 84 HA LYS 84 -5.218 -7.686 -6.870 247 1HB LYS 84 HB1 LYS 84 -5.028 -4.975 -5.334 248 2HB LYS 84 HB2 LYS 84 -5.852 -5.147 -6.945 249 1HG LYS 84 HG1 LYS 84 -7.629 -5.300 -5.610 250 2HG LYS 84 HG2 LYS 84 -7.106 -7.058 -5.470 251 1HD LYS 84 HD1 LYS 84 -5.957 -6.475 -3.349 252 2HD LYS 84 HD2 LYS 84 -6.506 -4.782 -3.504 253 1HE LYS 84 HE1 LYS 84 -8.361 -7.259 -3.340 254 2HE LYS 84 HE2 LYS 84 -7.851 -6.275 -1.912 255 1HZ LYS 84 HZ2 LYS 84 -8.807 -4.332 -2.988 256 2HZ LYS 84 HZ3 LYS 84 -9.342 -5.299 -4.282 257 3HZ LYS 84 HZ1 LYS 84 -9.948 -5.546 -2.707 258 H ALA 85 HN ALA 85 -3.387 -4.994 -5.690 259 HA ALA 85 HA ALA 85 -2.734 -4.227 -8.288 260 1HB ALA 85 HB1 ALA 85 -2.380 -3.228 -5.514 261 2HB ALA 85 HB2 ALA 85 -0.796 -3.054 -6.275 262 3HB ALA 85 HB3 ALA 85 -2.222 -2.213 -7.033 263 H LEU 86 HN LEU 86 -1.328 -6.732 -6.775 264 HA LEU 86 HA LEU 86 1.336 -6.310 -8.076 265 1HB LEU 86 HB1 LEU 86 0.348 -8.315 -5.914 266 2HB LEU 86 HB2 LEU 86 2.026 -8.072 -6.411 267 HG LEU 86 HG LEU 86 0.907 -7.141 -4.208 268 1HD1 LEU 86 HD21 LEU 86 3.280 -6.195 -5.482 269 2HD1 LEU 86 HD22 LEU 86 2.163 -4.794 -5.890 270 3HD1 LEU 86 HD23 LEU 86 2.551 -5.141 -4.190 271 1HD2 LEU 86 HD12 LEU 86 -0.980 -6.126 -5.071 272 2HD2 LEU 86 HD13 LEU 86 0.005 -5.124 -3.945 273 3HD2 LEU 86 HD11 LEU 86 0.136 -4.694 -5.570 274 H LYS 87 HN LYS 87 -1.197 -8.711 -7.271 275 HA LYS 87 HA LYS 87 -0.484 -10.588 -8.951 276 1HB LYS 87 HB1 LYS 87 -2.827 -10.115 -7.560 277 2HB LYS 87 HB2 LYS 87 -3.431 -9.502 -9.085 278 1HG LYS 87 HG1 LYS 87 -2.068 -12.262 -8.831 279 2HG LYS 87 HG2 LYS 87 -3.583 -11.980 -7.972 280 1HD LYS 87 HD1 LYS 87 -4.701 -11.361 -10.185 281 2HD LYS 87 HD2 LYS 87 -3.161 -11.659 -11.023 282 1HE LYS 87 HE1 LYS 87 -3.234 -14.079 -10.320 283 2HE LYS 87 HE2 LYS 87 -4.816 -13.771 -9.491 284 1HZ LYS 87 HZ1 LYS 87 -4.232 -13.345 -12.370 285 2HZ LYS 87 HZ2 LYS 87 -5.092 -14.646 -11.698 286 3HZ LYS 87 HZ3 LYS 87 -5.715 -13.069 -11.595 287 H VAL 88 HN VAL 88 -2.451 -7.816 -9.872 288 HA VAL 88 HA VAL 88 -2.676 -8.166 -12.551 289 HB VAL 88 HB VAL 88 -1.970 -5.567 -11.047 290 1HG1 VAL 88 HG13 VAL 88 -2.918 -5.829 -13.943 291 2HG1 VAL 88 HG11 VAL 88 -2.948 -4.306 -12.955 292 3HG1 VAL 88 HG12 VAL 88 -1.382 -5.085 -13.315 293 1HG2 VAL 88 HG21 VAL 88 -4.142 -6.787 -10.461 294 2HG2 VAL 88 HG22 VAL 88 -4.210 -5.038 -10.883 295 3HG2 VAL 88 HG23 VAL 88 -4.720 -6.291 -12.096 296 H ARG 89 HN ARG 89 0.173 -7.159 -10.775 297 HA ARG 89 HA ARG 89 1.699 -6.533 -13.139 298 1HB ARG 89 HB1 ARG 89 2.522 -6.818 -10.191 299 2HB ARG 89 HB2 ARG 89 3.342 -5.874 -11.385 300 1HG ARG 89 HG1 ARG 89 0.722 -4.820 -11.450 301 2HG ARG 89 HG2 ARG 89 0.726 -5.415 -9.888 302 1HD ARG 89 HD1 ARG 89 2.648 -4.073 -9.131 303 2HD ARG 89 HD2 ARG 89 3.070 -3.615 -10.828 304 HE ARG 89 HE ARG 89 0.566 -2.747 -9.307 305 1HH1 ARG 89 HH22 ARG 89 2.007 -3.051 -12.426 306 2HH1 ARG 89 HH21 ARG 89 1.014 -1.816 -13.127 307 1HH2 ARG 89 HH12 ARG 89 -0.302 -0.713 -10.071 308 2HH2 ARG 89 HH11 ARG 89 -0.361 -0.536 -11.788 309 H GLY 90 HN GLY 90 1.563 -9.028 -10.617 310 1HA GLY 90 HA2 GLY 90 2.351 -11.212 -10.821 311 2HA GLY 90 HA1 GLY 90 3.386 -10.748 -12.214 312 H LEU 91 HN LEU 91 2.880 -9.089 -9.050 313 HA LEU 91 HA LEU 91 5.832 -9.071 -8.813 314 1HB LEU 91 HB1 LEU 91 3.614 -7.218 -7.801 315 2HB LEU 91 HB2 LEU 91 5.207 -7.198 -7.073 316 HG LEU 91 HG LEU 91 4.308 -5.888 -9.503 317 1HD1 LEU 91 HD22 LEU 91 5.608 -4.796 -7.737 318 2HD1 LEU 91 HD23 LEU 91 7.041 -5.830 -8.143 319 3HD1 LEU 91 HD21 LEU 91 6.393 -4.658 -9.352 320 1HD2 LEU 91 HD13 LEU 91 5.104 -7.797 -10.815 321 2HD2 LEU 91 HD11 LEU 91 6.140 -6.364 -11.050 322 3HD2 LEU 91 HD12 LEU 91 6.741 -7.684 -9.997 323 H GLN 92 HN GLN 92 6.675 -9.071 -6.562 324 HA GLN 92 HA GLN 92 5.031 -10.821 -4.811 325 1HB GLN 92 HB1 GLN 92 8.038 -10.412 -5.034 326 2HB GLN 92 HB2 GLN 92 7.298 -11.196 -3.671 327 1HG GLN 92 HG1 GLN 92 6.482 -12.193 -6.480 328 2HG GLN 92 HG2 GLN 92 8.195 -12.343 -6.113 329 1HE2 GLN 92 HE21 GLN 92 5.604 -14.592 -3.743 330 2HE2 GLN 92 HE22 GLN 92 5.039 -13.101 -4.314 331 HA PRO 93 HA PRO 93 5.316 -7.011 -2.639 332 1HB PRO 93 HB1 PRO 93 3.183 -7.383 -0.981 333 2HB PRO 93 HB2 PRO 93 3.025 -6.780 -2.612 334 1HG PRO 93 HG1 PRO 93 2.357 -9.493 -1.637 335 2HG PRO 93 HG2 PRO 93 1.643 -8.570 -2.937 336 1HD PRO 93 HD1 PRO 93 3.410 -10.640 -3.342 337 2HD PRO 93 HD2 PRO 93 3.226 -9.319 -4.472 338 H GLU 94 HN GLU 94 5.277 -10.358 -1.524 339 HA GLU 94 HA GLU 94 5.548 -9.760 1.221 340 1HB GLU 94 HB1 GLU 94 6.672 -12.271 -0.114 341 2HB GLU 94 HB2 GLU 94 6.164 -12.082 1.570 342 1HG GLU 94 HG1 GLU 94 4.242 -13.112 0.862 343 2HG GLU 94 HG2 GLU 94 3.767 -11.446 0.344 344 H CYS 95 HN CYS 95 7.737 -9.477 -1.440 345 HA CYS 95 HA CYS 95 10.089 -9.774 0.288 346 1HB CYS 95 HB1 CYS 95 9.769 -9.275 -2.709 347 2HB CYS 95 HB2 CYS 95 11.326 -9.409 -1.860 348 HG1 CYS 95 HG1 CYS 95 10.780 -11.664 -3.127 349 H CYS 96 HN CYS 96 7.868 -7.405 -0.066 350 HA CYS 96 HA CYS 96 9.923 -5.281 -0.203 351 1HB CYS 96 HB1 CYS 96 7.005 -5.371 -1.217 352 2HB CYS 96 HB2 CYS 96 7.986 -3.936 -1.224 353 HG1 CYS 96 HG1 CYS 96 8.301 -6.735 -2.929 354 H ALA 97 HN ALA 97 8.775 -3.136 0.597 355 HA ALA 97 HA ALA 97 7.164 -3.749 2.987 356 1HB ALA 97 HB1 ALA 97 9.457 -1.736 2.878 357 2HB ALA 97 HB2 ALA 97 8.133 -1.641 4.049 358 3HB ALA 97 HB3 ALA 97 9.133 -3.087 4.134 359 H VAL 98 HN VAL 98 5.356 -2.499 3.068 360 HA VAL 98 HA VAL 98 5.055 -0.455 0.979 361 HB VAL 98 HB VAL 98 3.288 -2.082 0.934 362 1HG1 VAL 98 HG12 VAL 98 3.409 -1.869 3.936 363 2HG1 VAL 98 HG13 VAL 98 1.887 -2.281 3.178 364 3HG1 VAL 98 HG11 VAL 98 3.371 -3.330 2.855 365 1HG2 VAL 98 HG21 VAL 98 2.591 0.405 0.925 366 2HG2 VAL 98 HG22 VAL 98 1.337 -0.840 1.260 367 3HG2 VAL 98 HG23 VAL 98 1.995 0.063 2.636 368 H PHE 99 HN PHE 99 4.119 1.607 1.581 369 HA PHE 99 HA PHE 99 4.501 2.358 4.397 370 1HB PHE 99 HB1 PHE 99 5.934 3.612 1.968 371 2HB PHE 99 HB2 PHE 99 5.659 4.488 3.445 372 HD1 PHE 99 HD2 PHE 99 7.103 1.440 1.803 373 HD2 PHE 99 HD1 PHE 99 7.253 3.809 5.379 374 HE1 PHE 99 HE2 PHE 99 9.354 0.641 2.277 375 HE2 PHE 99 HE1 PHE 99 9.398 2.891 5.875 376 HZ PHE 99 HZ PHE 99 10.642 1.913 4.003 377 H ARG 100 HN ARG 100 3.658 4.478 4.799 378 HA ARG 100 HA ARG 100 1.688 5.562 2.807 379 1HB ARG 100 HB1 ARG 100 2.332 6.209 5.657 380 2HB ARG 100 HB2 ARG 100 1.547 7.343 4.618 381 1HG ARG 100 HG1 ARG 100 -0.400 6.165 4.169 382 2HG ARG 100 HG2 ARG 100 0.266 4.627 4.692 383 1HD ARG 100 HD1 ARG 100 -0.908 4.963 6.577 384 2HD ARG 100 HD2 ARG 100 0.561 5.842 7.090 385 HE ARG 100 HE ARG 100 -1.982 7.125 5.976 386 1HH1 ARG 100 HH22 ARG 100 1.380 7.628 6.711 387 2HH1 ARG 100 HH21 ARG 100 1.222 9.362 6.705 388 1HH2 ARG 100 HH12 ARG 100 -2.279 9.350 6.318 389 2HH2 ARG 100 HH11 ARG 100 -0.866 10.326 6.647 390 H LEU 101 HN LEU 101 2.405 7.400 1.643 391 HA LEU 101 HA LEU 101 5.175 7.945 1.722 392 1HB LEU 101 HB1 LEU 101 2.732 9.413 0.419 393 2HB LEU 101 HB2 LEU 101 4.372 9.954 0.139 394 HG LEU 101 HG LEU 101 4.899 7.567 -0.744 395 1HD1 LEU 101 HD23 LEU 101 1.963 7.278 -0.361 396 2HD1 LEU 101 HD21 LEU 101 2.774 6.499 -1.760 397 3HD1 LEU 101 HD22 LEU 101 3.318 6.127 -0.066 398 1HD2 LEU 101 HD12 LEU 101 4.466 9.569 -2.308 399 2HD2 LEU 101 HD13 LEU 101 3.878 8.006 -2.990 400 3HD2 LEU 101 HD11 LEU 101 2.698 9.151 -2.265 401 H LEU 102 HN LEU 102 6.067 10.173 2.035 402 HA LEU 102 HA LEU 102 5.241 11.213 4.429 403 1HB LEU 102 HB1 LEU 102 6.990 12.717 4.327 404 2HB LEU 102 HB2 LEU 102 7.528 11.115 4.000 405 HG LEU 102 HG LEU 102 7.067 13.530 2.087 406 1HD1 LEU 102 HD23 LEU 102 9.141 13.620 3.309 407 2HD1 LEU 102 HD21 LEU 102 9.600 11.979 2.723 408 3HD1 LEU 102 HD22 LEU 102 9.421 13.344 1.544 409 1HD2 LEU 102 HD13 LEU 102 7.765 10.651 1.266 410 2HD2 LEU 102 HD11 LEU 102 6.306 11.652 0.754 411 3HD2 LEU 102 HD12 LEU 102 7.945 12.098 0.214 412 H HIS 103 HN HSP 103 3.053 11.967 4.273 413 HA HIS 103 HA HSP 103 3.088 14.674 3.066 414 1HB HIS 103 HB1 HSP 103 0.651 14.650 2.991 415 2HB HIS 103 HB2 HSP 103 1.391 13.464 1.883 416 HD1 HIS 103 HD1 HSP 103 1.722 10.946 3.208 417 HD2 HIS 103 HD2 HSP 103 -1.612 13.389 3.905 418 HE1 HIS 103 HE1 HSP 103 -0.225 9.435 3.747 419 HE2 HIS 103 HE2 HSP 103 -2.257 10.933 3.915 420 H GLU 104 HN GLU 104 3.418 12.776 5.823 421 HA GLU 104 HA GLU 104 3.034 15.211 7.447 422 1HB GLU 104 HB1 GLU 104 1.971 14.297 9.229 423 2HB GLU 104 HB2 GLU 104 0.946 14.189 7.799 424 1HG GLU 104 HG1 GLU 104 2.721 11.824 8.731 425 2HG GLU 104 HG2 GLU 104 1.108 12.151 9.423 426 H HIS 105 HN HSP 105 5.280 13.614 6.109 427 HA HIS 105 HA HSP 105 6.814 13.357 8.577 428 1HB HIS 105 HB1 HSP 105 7.829 11.430 6.580 429 2HB HIS 105 HB2 HSP 105 7.674 11.264 8.316 430 HD1 HIS 105 HD1 HSP 105 4.835 11.004 8.930 431 HD2 HIS 105 HD2 HSP 105 6.252 9.703 5.210 432 HE1 HIS 105 HE1 HSP 105 3.096 9.421 7.970 433 HE2 HIS 105 HE2 HSP 105 3.913 8.813 5.665 434 H LYS 106 HN LYS 106 9.273 13.475 7.900 435 HA LYS 106 HA LYS 106 9.519 14.817 5.281 436 1HB LYS 106 HB1 LYS 106 9.586 16.436 7.173 437 2HB LYS 106 HB2 LYS 106 10.797 15.425 7.997 438 1HG LYS 106 HG1 LYS 106 12.065 17.120 7.035 439 2HG LYS 106 HG2 LYS 106 12.361 15.763 5.987 440 1HD LYS 106 HD1 LYS 106 12.000 17.680 4.535 441 2HD LYS 106 HD2 LYS 106 10.581 16.627 4.354 442 1HE LYS 106 HE1 LYS 106 9.256 18.111 5.879 443 2HE LYS 106 HE2 LYS 106 10.721 19.145 6.150 444 1HZ LYS 106 HZ2 LYS 106 10.762 19.586 3.795 445 2HZ LYS 106 HZ3 LYS 106 9.387 18.621 3.552 446 3HZ LYS 106 HZ1 LYS 106 9.276 20.038 4.480 447 H GLY 107 HN GLY 107 10.999 13.903 4.008 448 1HA GLY 107 HA2 GLY 107 13.079 13.179 3.563 449 2HA GLY 107 HA1 GLY 107 13.332 12.673 5.258 450 H LYS 108 HN LYS 108 10.949 11.046 5.596 451 HA LYS 108 HA LYS 108 11.933 8.742 3.995 452 1HB LYS 108 HB1 LYS 108 10.953 8.905 6.861 453 2HB LYS 108 HB2 LYS 108 11.428 7.408 5.964 454 1HG LYS 108 HG1 LYS 108 13.686 8.842 5.550 455 2HG LYS 108 HG2 LYS 108 13.217 9.466 7.154 456 1HD LYS 108 HD1 LYS 108 13.046 6.999 7.904 457 2HD LYS 108 HD2 LYS 108 13.567 6.511 6.273 458 1HE LYS 108 HE1 LYS 108 15.749 7.731 6.591 459 2HE LYS 108 HE2 LYS 108 15.220 8.212 8.256 460 1HZ LYS 108 HZ2 LYS 108 15.017 5.886 8.800 461 2HZ LYS 108 HZ3 LYS 108 15.514 5.438 7.240 462 3HZ LYS 108 HZ1 LYS 108 16.587 6.256 8.270 463 H LYS 109 HN LYS 109 9.940 7.129 5.350 464 HA LYS 109 HA LYS 109 7.290 8.042 4.303 465 1HB LYS 109 HB1 LYS 109 9.021 5.804 3.398 466 2HB LYS 109 HB2 LYS 109 7.665 5.353 3.646 467 1HG LYS 109 HG1 LYS 109 7.734 8.034 2.069 468 2HG LYS 109 HG2 LYS 109 9.110 7.112 1.673 469 1HD LYS 109 HD1 LYS 109 6.363 5.778 1.461 470 2HD LYS 109 HD2 LYS 109 6.906 6.806 0.244 471 1HE LYS 109 HE1 LYS 109 8.442 4.365 1.524 472 2HE LYS 109 HE2 LYS 109 7.413 4.190 0.048 473 1HZ LYS 109 HZ3 LYS 109 9.852 5.878 0.337 474 2HZ LYS 109 HZ1 LYS 109 9.762 4.366 -0.461 475 3HZ LYS 109 HZ2 LYS 109 8.916 5.684 -1.084 476 H ALA 110 HN ALA 110 5.660 6.666 5.285 477 HA ALA 110 HA ALA 110 6.539 6.055 8.045 478 1HB ALA 110 HB1 ALA 110 3.713 6.667 7.217 479 2HB ALA 110 HB2 ALA 110 4.218 5.884 8.782 480 3HB ALA 110 HB3 ALA 110 4.769 7.541 8.412 481 H ARG 111 HN ARG 111 6.769 3.797 8.485 482 HA ARG 111 HA ARG 111 6.068 2.171 6.209 483 1HB ARG 111 HB1 ARG 111 8.385 2.425 7.495 484 2HB ARG 111 HB2 ARG 111 7.561 1.469 8.760 485 1HG ARG 111 HG1 ARG 111 7.557 0.431 5.906 486 2HG ARG 111 HG2 ARG 111 9.004 0.296 6.903 487 1HD ARG 111 HD1 ARG 111 7.130 -0.533 8.728 488 2HD ARG 111 HD2 ARG 111 6.265 -0.965 7.263 489 HE ARG 111 HE ARG 111 9.167 -1.906 7.468 490 1HH1 ARG 111 HH22 ARG 111 5.863 -2.703 8.266 491 2HH1 ARG 111 HH21 ARG 111 6.208 -4.403 8.365 492 1HH2 ARG 111 HH12 ARG 111 9.503 -4.148 7.104 493 2HH2 ARG 111 HH11 ARG 111 8.263 -5.224 7.696 494 H LEU 112 HN LEU 112 4.748 0.507 6.402 495 HA LEU 112 HA LEU 112 2.914 0.702 8.724 496 1HB LEU 112 HB1 LEU 112 2.317 -0.292 5.898 497 2HB LEU 112 HB2 LEU 112 1.146 0.135 7.210 498 HG LEU 112 HG LEU 112 2.949 2.144 5.872 499 1HD1 LEU 112 HD12 LEU 112 1.080 1.066 4.434 500 2HD1 LEU 112 HD13 LEU 112 -0.065 1.926 5.515 501 3HD1 LEU 112 HD11 LEU 112 1.157 2.866 4.555 502 1HD2 LEU 112 HD23 LEU 112 0.672 2.372 7.898 503 2HD2 LEU 112 HD21 LEU 112 2.363 2.847 8.131 504 3HD2 LEU 112 HD22 LEU 112 1.386 3.790 6.933 505 H ASP 113 HN ASP 113 1.401 -1.556 7.768 506 HA ASP 113 HA ASP 113 3.329 -3.693 8.262 507 1HB ASP 113 HB1 ASP 113 1.872 -3.212 10.312 508 2HB ASP 113 HB2 ASP 113 0.469 -3.798 9.311 509 H TRP 114 HN TRP 114 3.145 -5.346 6.766 510 HA TRP 114 HA TRP 114 1.597 -5.201 4.912 511 1HB TRP 114 HB1 TRP 114 3.245 -7.469 6.128 512 2HB TRP 114 HB2 TRP 114 2.040 -8.123 5.026 513 HD1 TRP 114 HD1 TRP 114 5.419 -7.915 4.481 514 HE1 TRP 114 HE1 TRP 114 6.213 -6.656 2.365 515 HE3 TRP 114 HE3 TRP 114 1.087 -5.939 3.330 516 HZ2 TRP 114 HZ2 TRP 114 4.805 -5.417 0.119 517 HZ3 TRP 114 HZ3 TRP 114 0.760 -4.647 1.082 518 HH2 TRP 114 HH2 TRP 114 2.454 -4.978 -0.505 519 H ASN 115 HN ASN 115 0.468 -6.153 7.919 520 HA ASN 115 HA ASN 115 -2.021 -7.112 6.638 521 1HB ASN 115 HB1 ASN 115 -0.583 -7.993 8.919 522 2HB ASN 115 HB2 ASN 115 -1.751 -6.943 9.651 523 1HD2 ASN 115 HD21 ASN 115 -4.630 -8.876 8.464 524 2HD2 ASN 115 HD22 ASN 115 -4.106 -7.236 8.695 525 H THR 116 HN THR 116 -0.845 -4.185 6.798 526 HA THR 116 HA THR 116 -2.034 -3.247 8.953 527 HB THR 116 HB THR 116 -0.222 -2.052 7.224 528 HG1 THR 116 HG1 THR 116 -0.849 -0.800 9.468 529 1HG2 THR 116 HG23 THR 116 -2.503 -0.462 6.815 530 2HG2 THR 116 HG21 THR 116 -2.331 -0.133 8.565 531 3HG2 THR 116 HG22 THR 116 -1.014 0.344 7.407 532 H ASP 117 HN ASP 117 -3.954 -1.968 9.316 533 HA ASP 117 HA ASP 117 -6.247 -2.569 7.686 534 1HB ASP 117 HB1 ASP 117 -6.292 -2.047 10.174 535 2HB ASP 117 HB2 ASP 117 -5.955 -0.335 9.748 536 H ALA 118 HN ALA 118 -5.411 -1.970 5.616 537 HA ALA 118 HA ALA 118 -4.720 0.596 4.677 538 1HB ALA 118 HB3 ALA 118 -6.436 -1.799 3.646 539 2HB ALA 118 HB1 ALA 118 -5.809 -0.490 2.574 540 3HB ALA 118 HB2 ALA 118 -4.662 -1.591 3.418 541 H ALA 119 HN ALA 119 -7.793 -0.617 5.914 542 HA ALA 119 HA ALA 119 -9.451 1.343 4.569 543 1HB ALA 119 HB1 ALA 119 -9.176 -0.799 6.844 544 2HB ALA 119 HB2 ALA 119 -10.707 0.211 6.834 545 3HB ALA 119 HB3 ALA 119 -10.283 -0.888 5.460 546 H SER 120 HN SER 120 -7.107 1.484 7.135 547 HA SER 120 HA SER 120 -8.469 3.841 8.285 548 1HB SER 120 HB1 SER 120 -5.972 2.316 9.137 549 2HB SER 120 HB2 SER 120 -6.555 3.843 9.895 550 HG SER 120 HG1 SER 120 -8.053 1.425 9.670 551 H LEU 121 HN LEU 121 -6.138 2.864 5.907 552 HA LEU 121 HA LEU 121 -4.886 5.562 5.917 553 1HB LEU 121 HB1 LEU 121 -4.115 3.169 4.178 554 2HB LEU 121 HB2 LEU 121 -3.238 4.632 4.370 555 HG LEU 121 HG LEU 121 -1.998 3.263 5.803 556 1HD1 LEU 121 HD21 LEU 121 -3.021 5.176 7.203 557 2HD1 LEU 121 HD22 LEU 121 -4.234 4.023 7.769 558 3HD1 LEU 121 HD23 LEU 121 -2.488 3.692 8.146 559 1HD2 LEU 121 HD12 LEU 121 -4.625 1.827 6.209 560 2HD2 LEU 121 HD13 LEU 121 -3.026 1.174 5.717 561 3HD2 LEU 121 HD11 LEU 121 -3.339 1.655 7.463 562 H ILE 122 HN ILE 122 -7.299 3.874 4.882 563 HA ILE 122 HA ILE 122 -7.725 4.291 2.371 564 HB ILE 122 HB ILE 122 -9.495 3.560 4.220 565 1HG1 ILE 122 HG11 ILE 122 -11.287 3.738 2.323 566 2HG1 ILE 122 HG12 ILE 122 -9.753 4.029 1.344 567 1HG2 ILE 122 HG22 ILE 122 -10.145 5.868 4.921 568 2HG2 ILE 122 HG23 ILE 122 -10.724 6.172 3.212 569 3HG2 ILE 122 HG21 ILE 122 -11.529 4.936 4.188 570 1HD1 ILE 122 HD3 ILE 122 -8.784 2.002 2.530 571 2HD1 ILE 122 HD1 ILE 122 -10.607 1.533 2.593 572 3HD1 ILE 122 HD2 ILE 122 -9.822 1.876 1.070 573 H GLY 123 HN GLY 123 -8.350 5.762 0.945 574 1HA GLY 123 HA2 GLY 123 -8.267 7.775 -0.112 575 2HA GLY 123 HA1 GLY 123 -8.847 8.440 1.459 576 H GLU 124 HN GLU 124 -5.672 6.840 0.642 577 HA GLU 124 HA GLU 124 -4.349 9.419 1.138 578 1HB GLU 124 HB1 GLU 124 -3.507 6.741 2.341 579 2HB GLU 124 HB2 GLU 124 -2.663 8.282 2.506 580 1HG GLU 124 HG1 GLU 124 -5.583 8.182 3.427 581 2HG GLU 124 HG2 GLU 124 -4.413 7.213 4.346 582 H GLU 125 HN GLU 125 -1.826 8.607 0.830 583 HA GLU 125 HA GLU 125 -1.780 7.171 -1.760 584 1HB GLU 125 HB1 GLU 125 -0.015 9.428 -0.701 585 2HB GLU 125 HB2 GLU 125 0.652 8.245 -1.819 586 1HG GLU 125 HG1 GLU 125 -0.173 8.996 -3.643 587 2HG GLU 125 HG2 GLU 125 -1.848 9.019 -2.993 588 H LEU 126 HN LEU 126 -0.825 5.175 -1.556 589 HA LEU 126 HA LEU 126 1.256 5.043 0.376 590 1HB LEU 126 HB1 LEU 126 -0.788 3.011 -0.623 591 2HB LEU 126 HB2 LEU 126 0.747 2.381 -0.058 592 HG LEU 126 HG LEU 126 0.038 4.198 1.976 593 1HD1 LEU 126 HD22 LEU 126 -1.947 4.801 1.198 594 2HD1 LEU 126 HD23 LEU 126 -2.545 3.060 1.214 595 3HD1 LEU 126 HD21 LEU 126 -2.070 3.955 2.733 596 1HD2 LEU 126 HD12 LEU 126 -0.531 1.152 1.744 597 2HD2 LEU 126 HD13 LEU 126 0.980 1.907 2.382 598 3HD2 LEU 126 HD11 LEU 126 -0.609 2.076 3.276 599 H GLN 127 HN GLN 127 2.966 3.316 -0.044 600 HA GLN 127 HA GLN 127 3.624 3.161 -2.885 601 1HB GLN 127 HB1 GLN 127 4.638 5.400 -1.897 602 2HB GLN 127 HB2 GLN 127 5.662 4.349 -0.933 603 1HG GLN 127 HG1 GLN 127 5.883 3.395 -3.682 604 2HG GLN 127 HG2 GLN 127 5.850 5.244 -3.755 605 1HE2 GLN 127 HE21 GLN 127 9.257 3.741 -2.420 606 2HE2 GLN 127 HE22 GLN 127 7.991 2.679 -2.952 607 H VAL 128 HN VAL 128 5.416 1.600 -3.199 608 HA VAL 128 HA VAL 128 5.853 -0.041 -0.770 609 HB VAL 128 HB VAL 128 5.332 -0.927 -3.618 610 1HG1 VAL 128 HG12 VAL 128 6.557 -2.558 -1.309 611 2HG1 VAL 128 HG13 VAL 128 5.924 -3.237 -2.857 612 3HG1 VAL 128 HG11 VAL 128 7.351 -2.161 -2.904 613 1HG2 VAL 128 HG21 VAL 128 3.368 -0.774 -2.057 614 2HG2 VAL 128 HG22 VAL 128 3.735 -2.433 -2.647 615 3HG2 VAL 128 HG23 VAL 128 4.191 -1.949 -0.947 616 H ASP 129 HN ASP 129 7.966 -0.789 -0.465 617 HA ASP 129 HA ASP 129 9.907 0.091 -2.458 618 1HB ASP 129 HB1 ASP 129 9.437 1.489 0.061 619 2HB ASP 129 HB2 ASP 129 10.922 0.521 0.319 620 H PHE 130 HN PHE 130 12.242 -0.684 -1.098 621 HA PHE 130 HA PHE 130 11.876 -3.513 -1.104 622 1HB PHE 130 HB1 PHE 130 14.346 -3.437 -0.212 623 2HB PHE 130 HB2 PHE 130 14.009 -2.961 -1.906 624 HD1 PHE 130 HD1 PHE 130 14.698 -1.654 1.521 625 HD2 PHE 130 HD2 PHE 130 14.164 -0.630 -2.604 626 HE1 PHE 130 HE1 PHE 130 15.566 0.593 1.949 627 HE2 PHE 130 HE2 PHE 130 15.032 1.608 -2.151 628 HZ PHE 130 HZ PHE 130 15.734 2.232 0.123 629 H LEU 131 HN LEU 131 12.577 -4.853 0.819 630 HA LEU 131 HA LEU 131 11.159 -4.204 2.990 631 1HB LEU 131 HB1 LEU 131 13.198 -6.338 2.473 632 2HB LEU 131 HB2 LEU 131 12.628 -6.046 4.173 633 HG LEU 131 HG LEU 131 10.597 -6.423 1.954 634 1HD1 LEU 131 HD22 LEU 131 12.010 -8.671 3.445 635 2HD1 LEU 131 HD23 LEU 131 10.486 -8.820 2.498 636 3HD1 LEU 131 HD21 LEU 131 12.038 -8.334 1.678 637 1HD2 LEU 131 HD13 LEU 131 9.869 -5.545 4.182 638 2HD2 LEU 131 HD11 LEU 131 9.143 -7.139 3.726 639 3HD2 LEU 131 HD12 LEU 131 10.481 -7.058 4.942 640 H ASP 132 HN ASP 132 11.553 -2.693 4.074 641 HA ASP 132 HA ASP 132 12.537 -0.899 5.328 642 1HB ASP 132 HB1 ASP 132 13.497 -3.552 6.545 643 2HB ASP 132 HB2 ASP 132 13.389 -1.961 7.417 No H/Q in entry = 643 Start of MODEL 6 1 1H SER 55 HT1 SER 55 -13.959 7.256 2.568 2 2H SER 55 HT3 SER 55 -12.327 7.226 2.958 3 3H SER 55 HT2 SER 55 -12.958 8.541 2.065 4 HA SER 55 HA SER 55 -13.448 7.107 0.234 5 1HB SER 55 HB1 SER 55 -11.065 8.189 0.646 6 2HB SER 55 HB2 SER 55 -10.548 6.526 1.082 7 HG SER 55 HG1 SER 55 -11.489 7.572 -1.365 8 H ASN 56 HN ASN 56 -12.421 4.974 -0.779 9 HA ASN 56 HA ASN 56 -12.210 2.823 1.216 10 1HB ASN 56 HB1 ASN 56 -13.566 1.270 -0.027 11 2HB ASN 56 HB2 ASN 56 -14.510 2.613 0.726 12 1HD2 ASN 56 HD21 ASN 56 -14.203 2.362 -3.399 13 2HD2 ASN 56 HD22 ASN 56 -13.145 1.443 -2.389 14 H THR 57 HN THR 57 -10.555 4.600 -0.620 15 HA THR 57 HA THR 57 -9.334 2.434 -2.207 16 HB THR 57 HB THR 57 -9.109 3.867 -4.169 17 HG1 THR 57 HG1 THR 57 -10.359 5.725 -2.439 18 1HG2 THR 57 HG23 THR 57 -11.326 2.596 -3.946 19 2HG2 THR 57 HG21 THR 57 -12.049 4.114 -3.268 20 3HG2 THR 57 HG22 THR 57 -11.409 4.096 -4.949 21 H ILE 58 HN ILE 58 -7.092 2.974 -2.825 22 HA ILE 58 HA ILE 58 -6.044 5.377 -1.711 23 HB ILE 58 HB ILE 58 -4.275 3.106 -0.905 24 1HG1 ILE 58 HG11 ILE 58 -6.792 3.457 0.743 25 2HG1 ILE 58 HG12 ILE 58 -6.421 2.072 -0.322 26 1HG2 ILE 58 HG23 ILE 58 -5.162 5.708 0.442 27 2HG2 ILE 58 HG21 ILE 58 -4.110 4.510 1.218 28 3HG2 ILE 58 HG22 ILE 58 -3.558 5.306 -0.306 29 1HD1 ILE 58 HD3 ILE 58 -4.324 1.604 0.973 30 2HD1 ILE 58 HD1 ILE 58 -4.796 2.926 2.135 31 3HD1 ILE 58 HD2 ILE 58 -5.835 1.497 1.962 32 H ARG 59 HN ARG 59 -3.432 5.355 -2.335 33 HA ARG 59 HA ARG 59 -3.450 4.154 -5.013 34 1HB ARG 59 HB1 ARG 59 -2.285 6.720 -3.866 35 2HB ARG 59 HB2 ARG 59 -1.865 6.071 -5.475 36 1HG ARG 59 HG1 ARG 59 -3.852 6.607 -6.404 37 2HG ARG 59 HG2 ARG 59 -4.783 6.128 -5.134 38 1HD ARG 59 HD1 ARG 59 -5.180 8.524 -5.186 39 2HD ARG 59 HD2 ARG 59 -4.322 8.083 -3.658 40 HE ARG 59 HE ARG 59 -3.040 9.956 -4.621 41 1HH1 ARG 59 HH22 ARG 59 -4.207 8.260 -7.223 42 2HH1 ARG 59 HH21 ARG 59 -3.155 9.077 -8.332 43 1HH2 ARG 59 HH12 ARG 59 -1.199 10.605 -5.811 44 2HH2 ARG 59 HH11 ARG 59 -1.459 10.434 -7.532 45 H VAL 60 HN VAL 60 -1.687 3.016 -5.645 46 HA VAL 60 HA VAL 60 0.301 2.535 -3.477 47 HB VAL 60 HB VAL 60 -0.335 0.520 -5.632 48 1HG1 VAL 60 HG12 VAL 60 1.845 0.315 -4.448 49 2HG1 VAL 60 HG13 VAL 60 0.970 0.213 -2.878 50 3HG1 VAL 60 HG11 VAL 60 0.726 -1.069 -4.133 51 1HG2 VAL 60 HG23 VAL 60 -1.605 0.630 -2.840 52 2HG2 VAL 60 HG21 VAL 60 -2.456 0.810 -4.422 53 3HG2 VAL 60 HG22 VAL 60 -1.673 -0.759 -3.993 54 H PHE 61 HN PHE 61 2.150 3.515 -3.999 55 HA PHE 61 HA PHE 61 2.735 3.890 -6.828 56 1HB PHE 61 HB1 PHE 61 3.703 5.101 -4.229 57 2HB PHE 61 HB2 PHE 61 4.813 5.146 -5.720 58 HD1 PHE 61 HD2 PHE 61 1.173 5.642 -4.725 59 HD2 PHE 61 HD1 PHE 61 4.525 7.112 -6.948 60 HE1 PHE 61 HE2 PHE 61 -0.100 7.624 -5.349 61 HE2 PHE 61 HE1 PHE 61 3.271 9.154 -7.444 62 HZ PHE 61 HZ PHE 61 0.981 9.446 -6.586 63 H LEU 62 HN LEU 62 4.712 3.066 -7.814 64 HA LEU 62 HA LEU 62 5.188 0.491 -6.522 65 1HB LEU 62 HB1 LEU 62 5.636 1.529 -9.325 66 2HB LEU 62 HB2 LEU 62 6.428 0.030 -8.773 67 HG LEU 62 HG LEU 62 4.226 -0.292 -9.993 68 1HD1 LEU 62 HD13 LEU 62 5.304 -2.075 -8.616 69 2HD1 LEU 62 HD11 LEU 62 4.380 -1.482 -7.168 70 3HD1 LEU 62 HD12 LEU 62 3.501 -2.148 -8.573 71 1HD2 LEU 62 HD21 LEU 62 2.978 1.568 -8.859 72 2HD2 LEU 62 HD22 LEU 62 2.143 -0.036 -8.825 73 3HD2 LEU 62 HD23 LEU 62 2.974 0.576 -7.346 74 HA PRO 63 HA PRO 63 9.280 1.596 -5.657 75 1HB PRO 63 HB1 PRO 63 10.177 -1.126 -6.394 76 2HB PRO 63 HB2 PRO 63 10.338 -0.282 -4.872 77 1HG PRO 63 HG1 PRO 63 8.536 -2.342 -5.446 78 2HG PRO 63 HG2 PRO 63 8.391 -1.289 -4.100 79 1HD PRO 63 HD1 PRO 63 6.619 -1.390 -6.334 80 2HD PRO 63 HD2 PRO 63 6.543 -0.271 -5.059 81 H ASN 64 HN ASN 64 8.224 0.143 -8.701 82 HA ASN 64 HA ASN 64 10.646 0.862 -10.078 83 1HB ASN 64 HB1 ASN 64 7.850 0.422 -11.274 84 2HB ASN 64 HB2 ASN 64 9.437 0.353 -12.137 85 1HD2 ASN 64 HD21 ASN 64 10.061 -3.020 -11.157 86 2HD2 ASN 64 HD22 ASN 64 10.566 -1.633 -12.063 87 H LYS 65 HN LYS 65 8.402 2.626 -8.461 88 HA LYS 65 HA LYS 65 7.950 4.671 -8.381 89 1HB LYS 65 HB1 LYS 65 10.056 5.073 -10.470 90 2HB LYS 65 HB2 LYS 65 9.037 6.416 -9.921 91 1HG LYS 65 HG1 LYS 65 10.464 6.720 -8.228 92 2HG LYS 65 HG2 LYS 65 9.574 5.336 -7.497 93 1HD LYS 65 HD1 LYS 65 11.275 3.780 -8.752 94 2HD LYS 65 HD2 LYS 65 12.320 5.211 -8.795 95 1HE LYS 65 HE1 LYS 65 12.446 5.312 -6.375 96 2HE LYS 65 HE2 LYS 65 10.988 4.250 -6.177 97 1HZ LYS 65 HZ2 LYS 65 13.564 3.397 -7.349 98 2HZ LYS 65 HZ3 LYS 65 13.000 3.059 -5.775 99 3HZ LYS 65 HZ1 LYS 65 12.178 2.441 -7.124 100 H GLN 66 HN GLN 66 6.208 3.201 -9.451 101 HA GLN 66 HA GLN 66 4.853 5.078 -11.145 102 1HB GLN 66 HB1 GLN 66 5.059 2.118 -11.160 103 2HB GLN 66 HB2 GLN 66 3.431 2.507 -11.159 104 1HG GLN 66 HG1 GLN 66 5.147 4.148 -13.056 105 2HG GLN 66 HG2 GLN 66 5.375 2.418 -13.249 106 1HE2 GLN 66 HE21 GLN 66 1.575 4.141 -13.919 107 2HE2 GLN 66 HE22 GLN 66 2.808 5.024 -13.118 108 H ARG 67 HN ARG 67 2.242 4.098 -11.031 109 HA ARG 67 HA ARG 67 1.463 4.266 -8.214 110 1HB ARG 67 HB1 ARG 67 -0.097 6.160 -8.734 111 2HB ARG 67 HB2 ARG 67 1.603 6.590 -8.543 112 1HG ARG 67 HG1 ARG 67 0.598 5.946 -11.346 113 2HG ARG 67 HG2 ARG 67 0.025 7.421 -10.606 114 1HD ARG 67 HD1 ARG 67 2.082 8.496 -10.717 115 2HD ARG 67 HD2 ARG 67 2.989 7.012 -10.293 116 HE ARG 67 HE ARG 67 1.739 7.335 -13.051 117 1HH1 ARG 67 HH22 ARG 67 4.585 7.741 -11.112 118 2HH1 ARG 67 HH21 ARG 67 5.632 7.806 -12.489 119 1HH2 ARG 67 HH12 ARG 67 3.148 6.932 -14.814 120 2HH2 ARG 67 HH11 ARG 67 4.810 7.352 -14.596 121 H THR 68 HN THR 68 -0.906 4.048 -8.031 122 HA THR 68 HA THR 68 -2.507 3.442 -10.198 123 HB THR 68 HB THR 68 -1.133 1.351 -10.485 124 HG1 THR 68 HG1 THR 68 -2.968 -0.043 -10.260 125 1HG2 THR 68 HG23 THR 68 -0.510 0.986 -8.067 126 2HG2 THR 68 HG21 THR 68 -2.235 0.542 -7.729 127 3HG2 THR 68 HG22 THR 68 -1.247 -0.460 -8.851 128 H VAL 69 HN VAL 69 -4.663 2.421 -9.313 129 HA VAL 69 HA VAL 69 -4.897 3.365 -6.510 130 HB VAL 69 HB VAL 69 -6.137 4.919 -7.735 131 1HG1 VAL 69 HG11 VAL 69 -7.460 2.590 -9.243 132 2HG1 VAL 69 HG12 VAL 69 -7.916 4.331 -9.359 133 3HG1 VAL 69 HG13 VAL 69 -6.297 3.797 -9.935 134 1HG2 VAL 69 HG21 VAL 69 -7.174 4.098 -5.690 135 2HG2 VAL 69 HG22 VAL 69 -8.321 4.749 -6.916 136 3HG2 VAL 69 HG23 VAL 69 -8.189 2.971 -6.691 137 H VAL 70 HN VAL 70 -6.049 2.065 -5.117 138 HA VAL 70 HA VAL 70 -6.931 -0.540 -6.232 139 HB VAL 70 HB VAL 70 -6.161 -1.616 -4.140 140 1HG1 VAL 70 HG12 VAL 70 -3.923 -0.257 -5.721 141 2HG1 VAL 70 HG13 VAL 70 -3.750 -1.677 -4.608 142 3HG1 VAL 70 HG11 VAL 70 -4.732 -1.816 -6.121 143 1HG2 VAL 70 HG22 VAL 70 -6.085 0.337 -2.627 144 2HG2 VAL 70 HG23 VAL 70 -4.516 -0.539 -2.677 145 3HG2 VAL 70 HG21 VAL 70 -4.695 1.018 -3.572 146 H ASN 71 HN ASN 71 -8.482 -1.628 -4.711 147 HA ASN 71 HA ASN 71 -10.107 0.437 -3.336 148 1HB ASN 71 HB1 ASN 71 -10.971 -2.113 -4.804 149 2HB ASN 71 HB2 ASN 71 -12.018 -1.250 -3.607 150 1HD2 ASN 71 HD21 ASN 71 -11.343 0.480 -7.300 151 2HD2 ASN 71 HD22 ASN 71 -10.374 -0.858 -6.781 152 H VAL 72 HN VAL 72 -10.785 -0.083 -1.228 153 HA VAL 72 HA VAL 72 -9.582 -2.582 -0.144 154 HB VAL 72 HB VAL 72 -9.793 -0.030 1.438 155 1HG1 VAL 72 HG11 VAL 72 -8.011 -2.506 1.718 156 2HG1 VAL 72 HG12 VAL 72 -8.020 -1.040 2.790 157 3HG1 VAL 72 HG13 VAL 72 -9.456 -2.075 2.739 158 1HG2 VAL 72 HG21 VAL 72 -7.399 -0.826 -0.292 159 2HG2 VAL 72 HG22 VAL 72 -8.402 0.660 -0.434 160 3HG2 VAL 72 HG23 VAL 72 -7.390 0.410 1.033 161 H ARG 73 HN ARG 73 -10.725 -3.294 1.859 162 HA ARG 73 HA ARG 73 -13.312 -2.051 2.225 163 1HB ARG 73 HB1 ARG 73 -13.433 -4.154 0.551 164 2HB ARG 73 HB2 ARG 73 -13.191 -5.102 2.013 165 1HG ARG 73 HG1 ARG 73 -15.614 -4.787 1.310 166 2HG ARG 73 HG2 ARG 73 -15.295 -4.315 2.969 167 1HD ARG 73 HD1 ARG 73 -15.000 -2.155 0.830 168 2HD ARG 73 HD2 ARG 73 -16.675 -2.788 1.114 169 HE ARG 73 HE ARG 73 -16.241 -2.267 3.619 170 1HH1 ARG 73 HH22 ARG 73 -15.793 -0.343 0.787 171 2HH1 ARG 73 HH21 ARG 73 -16.187 1.120 1.626 172 1HH2 ARG 73 HH12 ARG 73 -16.164 -0.371 4.822 173 2HH2 ARG 73 HH11 ARG 73 -16.376 1.115 3.936 174 H ASN 74 HN ASN 74 -14.375 -3.203 4.207 175 HA ASN 74 HA ASN 74 -12.296 -3.185 6.227 176 1HB ASN 74 HB1 ASN 74 -14.395 -3.793 7.759 177 2HB ASN 74 HB2 ASN 74 -14.008 -2.122 7.259 178 1HD2 ASN 74 HD21 ASN 74 -17.147 -4.140 5.368 179 2HD2 ASN 74 HD22 ASN 74 -15.793 -5.039 5.970 180 H GLY 75 HN GLY 75 -11.123 -4.991 6.562 181 1HA GLY 75 HA2 GLY 75 -11.429 -7.271 7.434 182 2HA GLY 75 HA1 GLY 75 -12.461 -7.565 5.986 183 H MET 76 HN MET 76 -10.671 -5.566 4.501 184 HA MET 76 HA MET 76 -8.881 -7.566 3.508 185 1HB MET 76 HB1 MET 76 -9.231 -4.606 2.822 186 2HB MET 76 HB2 MET 76 -8.040 -5.634 2.040 187 1HG MET 76 HG1 MET 76 -9.916 -7.273 1.394 188 2HG MET 76 HG2 MET 76 -11.054 -6.088 1.953 189 1HE MET 76 HE1 MET 76 -11.092 -7.149 -1.074 190 2HE MET 76 HE2 MET 76 -12.164 -5.822 -0.518 191 3HE MET 76 HE3 MET 76 -11.226 -5.639 -2.033 192 H SER 77 HN SER 77 -6.583 -7.080 3.145 193 HA SER 77 HA SER 77 -5.329 -5.561 5.385 194 1HB SER 77 HB1 SER 77 -4.872 -8.416 4.442 195 2HB SER 77 HB2 SER 77 -3.488 -7.492 4.615 196 HG SER 77 HG1 SER 77 -5.541 -7.851 6.639 197 H LEU 78 HN LEU 78 -3.268 -4.856 4.878 198 HA LEU 78 HA LEU 78 -2.634 -3.915 2.468 199 1HB LEU 78 HB1 LEU 78 -1.074 -4.839 4.846 200 2HB LEU 78 HB2 LEU 78 -0.127 -4.588 3.335 201 HG LEU 78 HG LEU 78 -0.173 -2.610 4.818 202 1HD1 LEU 78 HD21 LEU 78 -0.087 -2.692 2.103 203 2HD1 LEU 78 HD22 LEU 78 -1.672 -1.907 2.302 204 3HD1 LEU 78 HD23 LEU 78 -0.375 -1.061 3.077 205 1HD2 LEU 78 HD12 LEU 78 -3.067 -2.562 3.948 206 2HD2 LEU 78 HD13 LEU 78 -2.307 -2.282 5.550 207 3HD2 LEU 78 HD11 LEU 78 -2.118 -1.048 4.295 208 H HIS 79 HN HSP 79 -1.199 -6.923 3.598 209 HA HIS 79 HA HSP 79 -0.231 -7.608 1.212 210 1HB HIS 79 HB1 HSP 79 -0.600 -9.015 3.839 211 2HB HIS 79 HB2 HSP 79 -0.832 -10.181 2.564 212 HD1 HIS 79 HD1 HSP 79 1.379 -8.936 0.589 213 HD2 HIS 79 HD2 HSP 79 1.953 -9.925 4.609 214 HE1 HIS 79 HE1 HSP 79 3.896 -8.979 1.098 215 HE2 HIS 79 HE2 HSP 79 4.146 -9.956 3.345 216 H ASP 80 HN ASP 80 -3.568 -7.949 2.110 217 HA ASP 80 HA ASP 80 -3.983 -9.825 -0.158 218 1HB ASP 80 HB1 ASP 80 -5.775 -8.817 2.138 219 2HB ASP 80 HB2 ASP 80 -6.389 -9.780 0.757 220 H CYS 81 HN CYS 81 -4.158 -6.606 0.971 221 HA CYS 81 HA CYS 81 -6.010 -5.639 -0.977 222 1HB CYS 81 HB1 CYS 81 -5.746 -4.683 1.270 223 2HB CYS 81 HB2 CYS 81 -4.156 -4.667 1.278 224 HG1 CYS 81 HG1 CYS 81 -6.354 -3.218 -0.972 225 H LEU 82 HN LEU 82 -2.582 -5.459 -0.475 226 HA LEU 82 HA LEU 82 -2.059 -4.128 -2.947 227 1HB LEU 82 HB1 LEU 82 -0.298 -5.685 -0.934 228 2HB LEU 82 HB2 LEU 82 0.417 -4.948 -2.249 229 HG LEU 82 HG LEU 82 -0.794 -4.000 0.327 230 1HD1 LEU 82 HD12 LEU 82 1.364 -2.973 -1.631 231 2HD1 LEU 82 HD13 LEU 82 0.567 -1.702 -0.686 232 3HD1 LEU 82 HD11 LEU 82 1.412 -2.980 0.223 233 1HD2 LEU 82 HD22 LEU 82 -1.701 -2.435 -2.011 234 2HD2 LEU 82 HD23 LEU 82 -2.589 -3.165 -0.653 235 3HD2 LEU 82 HD21 LEU 82 -1.541 -1.760 -0.289 236 H MET 83 HN MET 83 -2.264 -7.354 -1.903 237 HA MET 83 HA MET 83 -0.973 -8.521 -4.122 238 1HB MET 83 HB1 MET 83 -1.709 -9.620 -1.882 239 2HB MET 83 HB2 MET 83 -3.369 -9.286 -2.218 240 1HG MET 83 HG1 MET 83 -3.776 -10.889 -3.705 241 2HG MET 83 HG2 MET 83 -2.114 -10.950 -4.303 242 1HE MET 83 HE2 MET 83 -0.088 -12.142 -3.156 243 2HE MET 83 HE3 MET 83 -0.249 -11.201 -1.633 244 3HE MET 83 HE1 MET 83 -0.115 -12.982 -1.571 245 H LYS 84 HN LYS 84 -4.034 -6.985 -3.761 246 HA LYS 84 HA LYS 84 -4.998 -7.580 -6.365 247 1HB LYS 84 HB1 LYS 84 -5.004 -4.998 -4.667 248 2HB LYS 84 HB2 LYS 84 -5.667 -4.999 -6.316 249 1HG LYS 84 HG1 LYS 84 -7.508 -5.252 -4.935 250 2HG LYS 84 HG2 LYS 84 -7.187 -6.768 -5.838 251 1HD LYS 84 HD1 LYS 84 -6.372 -7.880 -3.837 252 2HD LYS 84 HD2 LYS 84 -6.208 -6.357 -2.973 253 1HE LYS 84 HE1 LYS 84 -8.692 -6.083 -2.849 254 2HE LYS 84 HE2 LYS 84 -8.924 -7.558 -3.872 255 1HZ LYS 84 HZ2 LYS 84 -7.208 -8.012 -1.630 256 2HZ LYS 84 HZ3 LYS 84 -8.763 -7.471 -1.173 257 3HZ LYS 84 HZ1 LYS 84 -8.579 -8.854 -2.158 258 H ALA 85 HN ALA 85 -3.416 -4.780 -5.252 259 HA ALA 85 HA ALA 85 -2.819 -3.538 -7.562 260 1HB ALA 85 HB2 ALA 85 -2.161 -2.771 -5.088 261 2HB ALA 85 HB3 ALA 85 -0.708 -3.852 -5.214 262 3HB ALA 85 HB1 ALA 85 -0.833 -2.424 -6.282 263 H LEU 86 HN LEU 86 -0.432 -5.674 -5.952 264 HA LEU 86 HA LEU 86 1.501 -5.303 -8.058 265 1HB LEU 86 HB1 LEU 86 1.117 -7.449 -5.872 266 2HB LEU 86 HB2 LEU 86 2.545 -7.260 -6.653 267 HG LEU 86 HG LEU 86 1.117 -4.898 -5.174 268 1HD1 LEU 86 HD23 LEU 86 2.653 -7.002 -3.777 269 2HD1 LEU 86 HD21 LEU 86 2.136 -5.357 -3.111 270 3HD1 LEU 86 HD22 LEU 86 0.919 -6.527 -3.680 271 1HD2 LEU 86 HD11 LEU 86 2.934 -4.148 -6.550 272 2HD2 LEU 86 HD12 LEU 86 3.194 -3.848 -4.808 273 3HD2 LEU 86 HD13 LEU 86 4.082 -5.214 -5.629 274 H LYS 87 HN LYS 87 -0.711 -7.820 -7.031 275 HA LYS 87 HA LYS 87 -0.279 -9.636 -8.900 276 1HB LYS 87 HB1 LYS 87 -2.662 -8.725 -7.448 277 2HB LYS 87 HB2 LYS 87 -3.237 -8.878 -9.024 278 1HG LYS 87 HG1 LYS 87 -1.634 -11.221 -7.914 279 2HG LYS 87 HG2 LYS 87 -3.258 -10.946 -7.324 280 1HD LYS 87 HD1 LYS 87 -4.110 -12.001 -9.192 281 2HD LYS 87 HD2 LYS 87 -3.446 -10.699 -10.204 282 1HE LYS 87 HE1 LYS 87 -1.912 -13.249 -9.352 283 2HE LYS 87 HE2 LYS 87 -2.683 -12.955 -10.962 284 1HZ LYS 87 HZ1 LYS 87 -1.263 -10.860 -10.968 285 2HZ LYS 87 HZ2 LYS 87 -0.361 -11.612 -9.752 286 3HZ LYS 87 HZ3 LYS 87 -0.520 -12.360 -11.271 287 H VAL 88 HN VAL 88 -2.436 -6.917 -9.459 288 HA VAL 88 HA VAL 88 -2.852 -7.150 -12.136 289 HB VAL 88 HB VAL 88 -2.262 -4.474 -10.709 290 1HG1 VAL 88 HG11 VAL 88 -3.853 -4.913 -13.230 291 2HG1 VAL 88 HG12 VAL 88 -3.738 -3.386 -12.237 292 3HG1 VAL 88 HG13 VAL 88 -2.267 -4.023 -12.994 293 1HG2 VAL 88 HG22 VAL 88 -4.461 -6.330 -10.229 294 2HG2 VAL 88 HG23 VAL 88 -3.936 -4.824 -9.370 295 3HG2 VAL 88 HG21 VAL 88 -5.023 -4.699 -10.792 296 H ARG 89 HN ARG 89 -0.062 -5.644 -10.520 297 HA ARG 89 HA ARG 89 1.044 -4.642 -12.925 298 1HB ARG 89 HB1 ARG 89 2.266 -5.036 -10.156 299 2HB ARG 89 HB2 ARG 89 2.837 -3.921 -11.375 300 1HG ARG 89 HG1 ARG 89 -0.067 -3.526 -10.838 301 2HG ARG 89 HG2 ARG 89 0.750 -3.664 -9.311 302 1HD ARG 89 HD1 ARG 89 0.546 -1.300 -10.105 303 2HD ARG 89 HD2 ARG 89 2.318 -1.776 -10.078 304 HE ARG 89 HE ARG 89 1.988 -2.316 -12.572 305 1HH1 ARG 89 HH22 ARG 89 1.224 0.501 -10.706 306 2HH1 ARG 89 HH21 ARG 89 1.628 1.568 -12.005 307 1HH2 ARG 89 HH12 ARG 89 1.890 -0.970 -14.410 308 2HH2 ARG 89 HH11 ARG 89 2.101 0.725 -14.103 309 H GLY 90 HN GLY 90 1.612 -7.487 -10.843 310 1HA GLY 90 HA2 GLY 90 2.412 -9.477 -11.805 311 2HA GLY 90 HA1 GLY 90 3.422 -8.557 -12.963 312 H LEU 91 HN LEU 91 2.904 -7.927 -9.469 313 HA LEU 91 HA LEU 91 5.778 -8.550 -9.043 314 1HB LEU 91 HB1 LEU 91 4.018 -6.260 -8.041 315 2HB LEU 91 HB2 LEU 91 5.492 -6.675 -7.264 316 HG LEU 91 HG LEU 91 6.261 -6.583 -10.019 317 1HD1 LEU 91 HD21 LEU 91 4.300 -5.444 -10.692 318 2HD1 LEU 91 HD22 LEU 91 4.598 -4.120 -9.445 319 3HD1 LEU 91 HD23 LEU 91 5.731 -4.383 -10.802 320 1HD2 LEU 91 HD12 LEU 91 7.681 -5.993 -8.034 321 2HD2 LEU 91 HD13 LEU 91 7.711 -4.745 -9.341 322 3HD2 LEU 91 HD11 LEU 91 6.739 -4.458 -7.852 323 H GLN 92 HN GLN 92 6.134 -8.546 -6.497 324 HA GLN 92 HA GLN 92 3.930 -10.119 -5.324 325 1HB GLN 92 HB1 GLN 92 5.597 -11.491 -4.146 326 2HB GLN 92 HB2 GLN 92 5.660 -11.708 -5.892 327 1HG GLN 92 HG1 GLN 92 7.730 -10.878 -6.232 328 2HG GLN 92 HG2 GLN 92 7.515 -9.535 -5.136 329 1HE2 GLN 92 HE21 GLN 92 9.017 -12.864 -3.269 330 2HE2 GLN 92 HE22 GLN 92 8.207 -13.107 -4.753 331 HA PRO 93 HA PRO 93 4.933 -7.188 -2.247 332 1HB PRO 93 HB1 PRO 93 3.108 -7.950 -0.382 333 2HB PRO 93 HB2 PRO 93 2.693 -7.048 -1.784 334 1HG PRO 93 HG1 PRO 93 2.173 -9.909 -1.194 335 2HG PRO 93 HG2 PRO 93 1.305 -8.843 -2.279 336 1HD PRO 93 HD1 PRO 93 3.130 -10.830 -3.048 337 2HD PRO 93 HD2 PRO 93 2.589 -9.516 -4.063 338 H GLU 94 HN GLU 94 5.306 -10.570 -1.862 339 HA GLU 94 HA GLU 94 5.403 -10.789 0.842 340 1HB GLU 94 HB1 GLU 94 6.770 -12.474 -1.302 341 2HB GLU 94 HB2 GLU 94 7.037 -12.832 0.418 342 1HG GLU 94 HG1 GLU 94 5.248 -14.270 -0.339 343 2HG GLU 94 HG2 GLU 94 4.570 -13.057 0.825 344 H CYS 95 HN CYS 95 8.100 -9.924 -1.377 345 HA CYS 95 HA CYS 95 9.883 -9.868 0.957 346 1HB CYS 95 HB1 CYS 95 10.378 -9.754 -2.053 347 2HB CYS 95 HB2 CYS 95 11.660 -9.681 -0.821 348 HG1 CYS 95 HG1 CYS 95 11.640 -12.100 -1.796 349 H CYS 96 HN CYS 96 7.832 -7.746 0.130 350 HA CYS 96 HA CYS 96 9.761 -5.531 -0.069 351 1HB CYS 96 HB1 CYS 96 6.791 -5.795 -0.892 352 2HB CYS 96 HB2 CYS 96 7.683 -4.307 -1.031 353 HG1 CYS 96 HG1 CYS 96 9.622 -5.216 -2.572 354 H ALA 97 HN ALA 97 8.572 -3.373 0.646 355 HA ALA 97 HA ALA 97 7.146 -3.842 3.176 356 1HB ALA 97 HB2 ALA 97 9.389 -1.768 2.822 357 2HB ALA 97 HB3 ALA 97 8.274 -1.871 4.207 358 3HB ALA 97 HB1 ALA 97 9.433 -3.227 3.926 359 H VAL 98 HN VAL 98 5.347 -2.541 3.278 360 HA VAL 98 HA VAL 98 5.028 -0.628 1.066 361 HB VAL 98 HB VAL 98 3.310 -2.251 0.974 362 1HG1 VAL 98 HG11 VAL 98 3.549 -2.279 3.915 363 2HG1 VAL 98 HG12 VAL 98 1.898 -2.218 3.378 364 3HG1 VAL 98 HG13 VAL 98 2.987 -3.546 2.713 365 1HG2 VAL 98 HG21 VAL 98 2.542 0.163 0.839 366 2HG2 VAL 98 HG22 VAL 98 1.303 -1.040 1.282 367 3HG2 VAL 98 HG23 VAL 98 1.984 -0.047 2.586 368 H PHE 99 HN PHE 99 3.951 1.407 1.586 369 HA PHE 99 HA PHE 99 4.426 2.334 4.334 370 1HB PHE 99 HB1 PHE 99 5.892 3.307 1.822 371 2HB PHE 99 HB2 PHE 99 5.516 4.442 3.024 372 HD1 PHE 99 HD2 PHE 99 6.982 1.181 1.932 373 HD2 PHE 99 HD1 PHE 99 7.182 3.987 5.192 374 HE1 PHE 99 HE2 PHE 99 9.228 0.455 2.458 375 HE2 PHE 99 HE1 PHE 99 9.353 3.159 5.726 376 HZ PHE 99 HZ PHE 99 10.547 1.940 3.950 377 H ARG 100 HN ARG 100 3.576 4.446 4.643 378 HA ARG 100 HA ARG 100 1.565 5.430 2.654 379 1HB ARG 100 HB1 ARG 100 2.217 6.044 5.512 380 2HB ARG 100 HB2 ARG 100 1.564 7.305 4.497 381 1HG ARG 100 HG1 ARG 100 -0.474 6.213 3.984 382 2HG ARG 100 HG2 ARG 100 0.112 4.648 4.537 383 1HD ARG 100 HD1 ARG 100 -1.124 5.103 6.369 384 2HD ARG 100 HD2 ARG 100 0.425 5.793 6.927 385 HE ARG 100 HE ARG 100 -1.941 7.363 5.768 386 1HH1 ARG 100 HH22 ARG 100 1.400 7.482 6.769 387 2HH1 ARG 100 HH21 ARG 100 1.416 9.219 6.892 388 1HH2 ARG 100 HH12 ARG 100 -2.043 9.584 6.260 389 2HH2 ARG 100 HH11 ARG 100 -0.552 10.405 6.688 390 H LEU 101 HN LEU 101 2.041 7.536 1.693 391 HA LEU 101 HA LEU 101 4.886 7.919 1.427 392 1HB LEU 101 HB1 LEU 101 2.504 9.635 0.362 393 2HB LEU 101 HB2 LEU 101 4.212 9.803 -0.166 394 HG LEU 101 HG LEU 101 2.335 7.467 -0.731 395 1HD1 LEU 101 HD21 LEU 101 2.250 9.539 -2.214 396 2HD1 LEU 101 HD22 LEU 101 3.965 9.203 -2.660 397 3HD1 LEU 101 HD23 LEU 101 2.695 7.987 -3.046 398 1HD2 LEU 101 HD13 LEU 101 5.348 7.602 -1.221 399 2HD2 LEU 101 HD11 LEU 101 4.452 6.444 -0.158 400 3HD2 LEU 101 HD12 LEU 101 4.207 6.416 -1.954 401 H LEU 102 HN LEU 102 5.129 10.713 1.182 402 HA LEU 102 HA LEU 102 5.187 11.407 3.951 403 1HB LEU 102 HB1 LEU 102 6.233 13.532 2.828 404 2HB LEU 102 HB2 LEU 102 7.152 12.031 3.131 405 HG LEU 102 HG LEU 102 6.789 11.227 0.845 406 1HD1 LEU 102 HD22 LEU 102 4.597 12.435 0.446 407 2HD1 LEU 102 HD23 LEU 102 5.508 13.949 0.259 408 3HD1 LEU 102 HD21 LEU 102 5.817 12.574 -0.899 409 1HD2 LEU 102 HD13 LEU 102 8.076 13.964 1.034 410 2HD2 LEU 102 HD11 LEU 102 8.834 12.332 1.267 411 3HD2 LEU 102 HD12 LEU 102 8.220 12.811 -0.352 412 H HIS 103 HN HSP 103 2.686 11.372 4.057 413 HA HIS 103 HA HSP 103 1.583 13.876 2.998 414 1HB HIS 103 HB1 HSP 103 0.354 11.519 4.482 415 2HB HIS 103 HB2 HSP 103 -0.518 13.065 4.205 416 HD1 HIS 103 HD1 HSP 103 -2.083 11.174 2.916 417 HD2 HIS 103 HD2 HSP 103 1.370 12.630 0.984 418 HE1 HIS 103 HE1 HSP 103 -2.422 10.905 0.426 419 HE2 HIS 103 HE2 HSP 103 -0.347 11.772 -0.721 420 H GLU 104 HN GLU 104 3.337 12.697 5.723 421 HA GLU 104 HA GLU 104 2.847 15.219 7.139 422 1HB GLU 104 HB1 GLU 104 2.197 14.459 9.185 423 2HB GLU 104 HB2 GLU 104 0.959 14.145 7.967 424 1HG GLU 104 HG1 GLU 104 2.984 12.016 8.970 425 2HG GLU 104 HG2 GLU 104 1.337 12.278 9.620 426 H HIS 105 HN HSP 105 5.174 14.315 5.755 427 HA HIS 105 HA HSP 105 6.884 13.685 8.075 428 1HB HIS 105 HB1 HSP 105 7.493 12.555 5.311 429 2HB HIS 105 HB2 HSP 105 8.275 12.163 6.888 430 HD1 HIS 105 HD1 HSP 105 5.506 11.694 8.407 431 HD2 HIS 105 HD2 HSP 105 6.476 10.100 4.661 432 HE1 HIS 105 HE1 HSP 105 4.012 9.696 8.037 433 HE2 HIS 105 HE2 HSP 105 4.479 8.918 5.691 434 H LYS 106 HN LYS 106 9.256 14.315 7.432 435 HA LYS 106 HA LYS 106 9.144 16.798 6.128 436 1HB LYS 106 HB1 LYS 106 10.755 16.288 8.028 437 2HB LYS 106 HB2 LYS 106 11.537 15.073 7.006 438 1HG LYS 106 HG1 LYS 106 12.845 17.156 7.062 439 2HG LYS 106 HG2 LYS 106 12.299 16.827 5.412 440 1HD LYS 106 HD1 LYS 106 12.058 19.236 5.948 441 2HD LYS 106 HD2 LYS 106 10.478 18.514 5.614 442 1HE LYS 106 HE1 LYS 106 10.005 18.380 8.088 443 2HE LYS 106 HE2 LYS 106 11.648 19.068 8.431 444 1HZ LYS 106 HZ3 LYS 106 9.487 20.365 6.862 445 2HZ LYS 106 HZ1 LYS 106 9.930 20.727 8.462 446 3HZ LYS 106 HZ2 LYS 106 11.019 21.017 7.190 447 H GLY 107 HN GLY 107 10.276 13.571 5.373 448 1HA GLY 107 HA2 GLY 107 9.580 13.702 2.719 449 2HA GLY 107 HA1 GLY 107 11.315 14.189 2.817 450 H LYS 108 HN LYS 108 9.112 11.640 4.316 451 HA LYS 108 HA LYS 108 11.049 9.637 3.369 452 1HB LYS 108 HB1 LYS 108 9.795 9.675 6.133 453 2HB LYS 108 HB2 LYS 108 10.949 8.458 5.442 454 1HG LYS 108 HG1 LYS 108 11.675 11.404 5.859 455 2HG LYS 108 HG2 LYS 108 11.824 10.185 7.099 456 1HD LYS 108 HD1 LYS 108 13.335 8.800 5.596 457 2HD LYS 108 HD2 LYS 108 13.194 10.048 4.337 458 1HE LYS 108 HE1 LYS 108 14.228 11.738 5.924 459 2HE LYS 108 HE2 LYS 108 14.440 10.412 7.137 460 1HZ LYS 108 HZ2 LYS 108 15.547 10.471 4.381 461 2HZ LYS 108 HZ3 LYS 108 16.403 10.766 5.817 462 3HZ LYS 108 HZ1 LYS 108 15.751 9.225 5.515 463 H LYS 109 HN LYS 109 9.430 7.643 4.874 464 HA LYS 109 HA LYS 109 6.750 7.975 3.824 465 1HB LYS 109 HB1 LYS 109 8.801 5.866 3.060 466 2HB LYS 109 HB2 LYS 109 7.500 5.273 3.270 467 1HG LYS 109 HG1 LYS 109 7.096 7.709 1.527 468 2HG LYS 109 HG2 LYS 109 8.697 7.160 1.226 469 1HD LYS 109 HD1 LYS 109 6.262 5.342 0.866 470 2HD LYS 109 HD2 LYS 109 7.063 6.135 -0.390 471 1HE LYS 109 HE1 LYS 109 8.578 4.255 1.563 472 2HE LYS 109 HE2 LYS 109 7.769 3.636 0.076 473 1HZ LYS 109 HZ2 LYS 109 9.128 5.344 -1.134 474 2HZ LYS 109 HZ3 LYS 109 10.032 5.525 0.308 475 3HZ LYS 109 HZ1 LYS 109 9.952 4.020 -0.517 476 H ALA 110 HN ALA 110 5.373 6.515 4.955 477 HA ALA 110 HA ALA 110 6.423 6.181 7.712 478 1HB ALA 110 HB3 ALA 110 3.535 6.710 6.982 479 2HB ALA 110 HB1 ALA 110 4.103 6.028 8.568 480 3HB ALA 110 HB2 ALA 110 4.613 7.666 8.077 481 H ARG 111 HN ARG 111 6.638 3.940 8.321 482 HA ARG 111 HA ARG 111 6.008 2.233 6.091 483 1HB ARG 111 HB1 ARG 111 8.289 2.588 7.388 484 2HB ARG 111 HB2 ARG 111 7.473 1.631 8.672 485 1HG ARG 111 HG1 ARG 111 7.547 0.556 5.833 486 2HG ARG 111 HG2 ARG 111 8.980 0.477 6.850 487 1HD ARG 111 HD1 ARG 111 7.044 -0.373 8.640 488 2HD ARG 111 HD2 ARG 111 6.276 -0.871 7.138 489 HE ARG 111 HE ARG 111 9.185 -1.702 7.563 490 1HH1 ARG 111 HH22 ARG 111 5.904 -2.612 8.187 491 2HH1 ARG 111 HH21 ARG 111 6.307 -4.299 8.289 492 1HH2 ARG 111 HH12 ARG 111 9.545 -3.906 6.939 493 2HH2 ARG 111 HH11 ARG 111 8.415 -5.039 7.642 494 H LEU 112 HN LEU 112 4.713 0.552 6.291 495 HA LEU 112 HA LEU 112 2.852 0.732 8.593 496 1HB LEU 112 HB1 LEU 112 2.313 -0.284 5.760 497 2HB LEU 112 HB2 LEU 112 1.112 0.098 7.059 498 HG LEU 112 HG LEU 112 2.855 2.171 5.755 499 1HD1 LEU 112 HD11 LEU 112 1.059 1.080 4.264 500 2HD1 LEU 112 HD12 LEU 112 -0.148 1.802 5.375 501 3HD1 LEU 112 HD13 LEU 112 1.005 2.870 4.467 502 1HD2 LEU 112 HD21 LEU 112 0.553 2.360 7.756 503 2HD2 LEU 112 HD22 LEU 112 2.247 2.827 8.017 504 3HD2 LEU 112 HD23 LEU 112 1.286 3.776 6.818 505 H ASP 113 HN ASP 113 1.375 -1.544 7.720 506 HA ASP 113 HA ASP 113 3.322 -3.649 8.314 507 1HB ASP 113 HB1 ASP 113 1.604 -3.109 10.203 508 2HB ASP 113 HB2 ASP 113 0.403 -3.914 9.100 509 H TRP 114 HN TRP 114 3.033 -5.550 7.008 510 HA TRP 114 HA TRP 114 1.555 -5.383 5.000 511 1HB TRP 114 HB1 TRP 114 3.257 -7.500 6.391 512 2HB TRP 114 HB2 TRP 114 2.079 -8.278 5.332 513 HD1 TRP 114 HD1 TRP 114 5.504 -7.865 4.795 514 HE1 TRP 114 HE1 TRP 114 6.186 -6.761 2.560 515 HE3 TRP 114 HE3 TRP 114 1.040 -6.324 3.549 516 HZ2 TRP 114 HZ2 TRP 114 4.641 -5.769 0.218 517 HZ3 TRP 114 HZ3 TRP 114 0.535 -5.394 1.279 518 HH2 TRP 114 HH2 TRP 114 2.254 -5.342 -0.389 519 H ASN 115 HN ASN 115 0.476 -6.286 8.071 520 HA ASN 115 HA ASN 115 -2.020 -7.384 6.898 521 1HB ASN 115 HB1 ASN 115 -0.490 -7.969 9.231 522 2HB ASN 115 HB2 ASN 115 -1.670 -6.895 9.876 523 1HD2 ASN 115 HD21 ASN 115 -4.469 -9.121 9.310 524 2HD2 ASN 115 HD22 ASN 115 -4.039 -7.451 9.407 525 H THR 116 HN THR 116 -1.035 -4.472 6.632 526 HA THR 116 HA THR 116 -2.089 -3.297 8.839 527 HB THR 116 HB THR 116 -0.263 -2.357 6.967 528 HG1 THR 116 HG1 THR 116 -1.015 -1.121 9.278 529 1HG2 THR 116 HG22 THR 116 -2.498 -0.661 6.530 530 2HG2 THR 116 HG23 THR 116 -2.315 -0.305 8.270 531 3HG2 THR 116 HG21 THR 116 -0.986 0.119 7.115 532 H ASP 117 HN ASP 117 -4.091 -2.200 9.163 533 HA ASP 117 HA ASP 117 -6.261 -2.614 7.402 534 1HB ASP 117 HB1 ASP 117 -6.021 -0.422 9.492 535 2HB ASP 117 HB2 ASP 117 -7.490 -1.320 8.886 536 H ALA 118 HN ALA 118 -5.298 -1.947 5.377 537 HA ALA 118 HA ALA 118 -4.551 0.647 4.558 538 1HB ALA 118 HB1 ALA 118 -6.111 -1.766 3.450 539 2HB ALA 118 HB2 ALA 118 -5.812 -0.329 2.424 540 3HB ALA 118 HB3 ALA 118 -4.418 -1.259 3.071 541 H ALA 119 HN ALA 119 -7.664 -0.557 5.712 542 HA ALA 119 HA ALA 119 -9.283 1.490 4.464 543 1HB ALA 119 HB1 ALA 119 -9.102 -0.642 6.769 544 2HB ALA 119 HB2 ALA 119 -10.645 0.339 6.576 545 3HB ALA 119 HB3 ALA 119 -10.076 -0.797 5.291 546 H SER 120 HN SER 120 -6.921 1.484 7.028 547 HA SER 120 HA SER 120 -8.239 3.795 8.303 548 1HB SER 120 HB1 SER 120 -5.636 2.381 9.037 549 2HB SER 120 HB2 SER 120 -6.476 3.668 9.978 550 HG SER 120 HG1 SER 120 -8.273 2.205 10.080 551 H LEU 121 HN LEU 121 -5.941 2.922 5.858 552 HA LEU 121 HA LEU 121 -4.638 5.597 6.001 553 1HB LEU 121 HB1 LEU 121 -3.907 3.249 4.180 554 2HB LEU 121 HB2 LEU 121 -2.991 4.671 4.431 555 HG LEU 121 HG LEU 121 -1.814 3.208 5.842 556 1HD1 LEU 121 HD23 LEU 121 -2.960 5.062 7.331 557 2HD1 LEU 121 HD21 LEU 121 -4.053 3.787 7.864 558 3HD1 LEU 121 HD22 LEU 121 -2.283 3.570 8.167 559 1HD2 LEU 121 HD11 LEU 121 -4.485 1.800 6.127 560 2HD2 LEU 121 HD12 LEU 121 -2.886 1.154 5.614 561 3HD2 LEU 121 HD13 LEU 121 -3.217 1.536 7.371 562 H ILE 122 HN ILE 122 -7.076 4.004 4.896 563 HA ILE 122 HA ILE 122 -7.449 4.502 2.362 564 HB ILE 122 HB ILE 122 -9.220 3.665 4.156 565 1HG1 ILE 122 HG11 ILE 122 -10.950 3.826 2.200 566 2HG1 ILE 122 HG12 ILE 122 -9.433 4.235 1.281 567 1HG2 ILE 122 HG23 ILE 122 -9.931 5.917 4.916 568 2HG2 ILE 122 HG21 ILE 122 -10.505 6.261 3.215 569 3HG2 ILE 122 HG22 ILE 122 -11.272 4.958 4.153 570 1HD1 ILE 122 HD1 ILE 122 -8.390 2.179 2.456 571 2HD1 ILE 122 HD2 ILE 122 -10.170 1.636 2.392 572 3HD1 ILE 122 HD3 ILE 122 -9.300 2.092 0.918 573 H GLY 123 HN GLY 123 -8.126 6.028 0.983 574 1HA GLY 123 HA2 GLY 123 -8.102 8.092 0.039 575 2HA GLY 123 HA1 GLY 123 -8.629 8.684 1.654 576 H GLU 124 HN GLU 124 -5.510 7.084 0.733 577 HA GLU 124 HA GLU 124 -4.135 9.650 1.227 578 1HB GLU 124 HB1 GLU 124 -3.294 6.917 2.306 579 2HB GLU 124 HB2 GLU 124 -2.401 8.438 2.486 580 1HG GLU 124 HG1 GLU 124 -5.280 8.287 3.537 581 2HG GLU 124 HG2 GLU 124 -4.026 7.405 4.394 582 H GLU 125 HN GLU 125 -1.568 8.424 0.943 583 HA GLU 125 HA GLU 125 -1.705 7.116 -1.697 584 1HB GLU 125 HB1 GLU 125 0.013 9.508 -1.010 585 2HB GLU 125 HB2 GLU 125 0.522 8.298 -2.211 586 1HG GLU 125 HG1 GLU 125 -1.014 8.695 -3.795 587 2HG GLU 125 HG2 GLU 125 -2.243 9.287 -2.655 588 H LEU 126 HN LEU 126 -0.610 5.280 -1.596 589 HA LEU 126 HA LEU 126 1.369 5.082 0.454 590 1HB LEU 126 HB1 LEU 126 -0.495 3.062 -0.888 591 2HB LEU 126 HB2 LEU 126 0.976 2.456 -0.140 592 HG LEU 126 HG LEU 126 0.015 4.089 1.893 593 1HD1 LEU 126 HD22 LEU 126 -2.455 3.153 0.571 594 2HD1 LEU 126 HD23 LEU 126 -2.276 3.677 2.299 595 3HD1 LEU 126 HD21 LEU 126 -1.883 4.834 1.009 596 1HD2 LEU 126 HD11 LEU 126 0.860 1.728 2.145 597 2HD2 LEU 126 HD12 LEU 126 -0.723 1.975 3.002 598 3HD2 LEU 126 HD13 LEU 126 -0.675 1.113 1.424 599 H GLN 127 HN GLN 127 3.064 3.257 0.009 600 HA GLN 127 HA GLN 127 3.812 3.194 -2.819 601 1HB GLN 127 HB1 GLN 127 5.263 4.923 -1.072 602 2HB GLN 127 HB2 GLN 127 6.165 3.474 -0.996 603 1HG GLN 127 HG1 GLN 127 5.867 3.599 -3.768 604 2HG GLN 127 HG2 GLN 127 5.850 5.401 -3.295 605 1HE2 GLN 127 HE21 GLN 127 9.314 3.328 -2.697 606 2HE2 GLN 127 HE22 GLN 127 7.860 2.437 -3.017 607 H VAL 128 HN VAL 128 5.364 1.384 -3.189 608 HA VAL 128 HA VAL 128 5.682 -0.324 -0.792 609 HB VAL 128 HB VAL 128 5.136 -1.164 -3.647 610 1HG1 VAL 128 HG12 VAL 128 6.326 -2.843 -1.350 611 2HG1 VAL 128 HG13 VAL 128 5.642 -3.506 -2.887 612 3HG1 VAL 128 HG11 VAL 128 7.106 -2.480 -2.953 613 1HG2 VAL 128 HG21 VAL 128 3.179 -0.958 -2.080 614 2HG2 VAL 128 HG22 VAL 128 3.488 -2.631 -2.672 615 3HG2 VAL 128 HG23 VAL 128 3.970 -2.164 -0.979 616 H ASP 129 HN ASP 129 7.773 -1.082 -0.443 617 HA ASP 129 HA ASP 129 9.744 -0.279 -2.446 618 1HB ASP 129 HB1 ASP 129 9.348 1.137 0.048 619 2HB ASP 129 HB2 ASP 129 10.774 0.086 0.328 620 H PHE 130 HN PHE 130 12.053 -1.185 -1.172 621 HA PHE 130 HA PHE 130 11.494 -4.001 -1.202 622 1HB PHE 130 HB1 PHE 130 14.012 -4.164 -0.686 623 2HB PHE 130 HB2 PHE 130 13.538 -3.481 -2.273 624 HD1 PHE 130 HD1 PHE 130 14.856 -2.658 1.099 625 HD2 PHE 130 HD2 PHE 130 13.755 -1.078 -2.725 626 HE1 PHE 130 HE1 PHE 130 15.981 -0.550 1.628 627 HE2 PHE 130 HE2 PHE 130 14.886 1.017 -2.176 628 HZ PHE 130 HZ PHE 130 15.998 1.295 0.001 629 H LEU 131 HN LEU 131 12.171 -5.419 0.627 630 HA LEU 131 HA LEU 131 11.263 -4.861 2.972 631 1HB LEU 131 HB1 LEU 131 13.381 -6.769 2.068 632 2HB LEU 131 HB2 LEU 131 13.265 -6.463 3.865 633 HG LEU 131 HG LEU 131 10.799 -7.183 2.240 634 1HD1 LEU 131 HD23 LEU 131 12.885 -9.128 3.335 635 2HD1 LEU 131 HD21 LEU 131 11.193 -9.568 2.941 636 3HD1 LEU 131 HD22 LEU 131 12.329 -8.935 1.641 637 1HD2 LEU 131 HD12 LEU 131 10.453 -6.313 4.509 638 2HD2 LEU 131 HD13 LEU 131 9.955 -8.036 4.333 639 3HD2 LEU 131 HD11 LEU 131 11.505 -7.623 5.174 640 H ASP 132 HN ASP 132 11.634 -3.368 4.083 641 HA ASP 132 HA ASP 132 13.865 -1.778 4.298 642 1HB ASP 132 HB1 ASP 132 12.806 -0.532 6.204 643 2HB ASP 132 HB2 ASP 132 11.694 -0.779 4.799 No H/Q in entry = 643 Start of MODEL 7 1 1H SER 55 HT1 SER 55 -13.809 7.362 3.102 2 2H SER 55 HT3 SER 55 -12.145 7.437 3.317 3 3H SER 55 HT2 SER 55 -12.974 8.793 2.695 4 HA SER 55 HA SER 55 -13.485 7.693 0.710 5 1HB SER 55 HB1 SER 55 -11.042 8.631 1.173 6 2HB SER 55 HB2 SER 55 -10.564 6.903 1.254 7 HG SER 55 HG1 SER 55 -11.721 8.369 -0.885 8 H ASN 56 HN ASN 56 -12.315 5.697 -0.646 9 HA ASN 56 HA ASN 56 -12.244 3.287 0.979 10 1HB ASN 56 HB1 ASN 56 -14.681 3.586 0.314 11 2HB ASN 56 HB2 ASN 56 -14.122 3.355 -1.412 12 1HD2 ASN 56 HD21 ASN 56 -13.732 0.192 1.237 13 2HD2 ASN 56 HD22 ASN 56 -13.739 1.811 1.852 14 H THR 57 HN THR 57 -10.575 5.242 -0.706 15 HA THR 57 HA THR 57 -9.533 3.220 -2.585 16 HB THR 57 HB THR 57 -9.236 4.795 -4.350 17 HG1 THR 57 HG1 THR 57 -10.348 6.678 -2.522 18 1HG2 THR 57 HG21 THR 57 -11.643 3.899 -4.122 19 2HG2 THR 57 HG22 THR 57 -12.060 5.431 -3.266 20 3HG2 THR 57 HG23 THR 57 -11.492 5.484 -4.979 21 H ILE 58 HN ILE 58 -7.266 3.282 -2.781 22 HA ILE 58 HA ILE 58 -5.936 5.545 -1.569 23 HB ILE 58 HB ILE 58 -4.610 2.953 -0.849 24 1HG1 ILE 58 HG11 ILE 58 -5.931 2.925 1.382 25 2HG1 ILE 58 HG12 ILE 58 -7.233 3.691 0.480 26 1HG2 ILE 58 HG23 ILE 58 -4.968 5.636 0.581 27 2HG2 ILE 58 HG21 ILE 58 -4.193 4.212 1.312 28 3HG2 ILE 58 HG22 ILE 58 -3.486 4.955 -0.191 29 1HD1 ILE 58 HD2 ILE 58 -5.787 1.025 -0.229 30 2HD1 ILE 58 HD3 ILE 58 -7.398 1.166 0.567 31 3HD1 ILE 58 HD1 ILE 58 -7.188 1.714 -1.139 32 H ARG 59 HN ARG 59 -3.502 5.540 -2.312 33 HA ARG 59 HA ARG 59 -3.583 4.338 -4.989 34 1HB ARG 59 HB1 ARG 59 -1.905 6.588 -3.812 35 2HB ARG 59 HB2 ARG 59 -1.774 5.953 -5.469 36 1HG ARG 59 HG1 ARG 59 -3.158 7.596 -5.998 37 2HG ARG 59 HG2 ARG 59 -4.401 6.456 -5.603 38 1HD ARG 59 HD1 ARG 59 -3.509 7.947 -3.167 39 2HD ARG 59 HD2 ARG 59 -3.984 9.083 -4.498 40 HE ARG 59 HE ARG 59 -5.809 6.803 -3.691 41 1HH1 ARG 59 HH22 ARG 59 -4.834 9.975 -2.838 42 2HH1 ARG 59 HH21 ARG 59 -6.354 10.351 -2.099 43 1HH2 ARG 59 HH12 ARG 59 -8.003 7.472 -3.258 44 2HH2 ARG 59 HH11 ARG 59 -8.132 8.899 -2.297 45 H VAL 60 HN VAL 60 -1.624 3.433 -5.810 46 HA VAL 60 HA VAL 60 0.221 2.520 -3.684 47 HB VAL 60 HB VAL 60 -0.568 0.630 -5.905 48 1HG1 VAL 60 HG13 VAL 60 1.594 0.281 -4.671 49 2HG1 VAL 60 HG11 VAL 60 0.655 0.094 -3.151 50 3HG1 VAL 60 HG12 VAL 60 0.405 -1.076 -4.511 51 1HG2 VAL 60 HG23 VAL 60 -1.874 0.722 -3.137 52 2HG2 VAL 60 HG21 VAL 60 -2.675 1.010 -4.730 53 3HG2 VAL 60 HG22 VAL 60 -2.006 -0.619 -4.343 54 H PHE 61 HN PHE 61 2.073 3.454 -4.231 55 HA PHE 61 HA PHE 61 2.686 3.908 -7.090 56 1HB PHE 61 HB1 PHE 61 3.707 4.981 -4.448 57 2HB PHE 61 HB2 PHE 61 4.721 5.093 -6.000 58 HD1 PHE 61 HD1 PHE 61 1.125 5.562 -4.844 59 HD2 PHE 61 HD2 PHE 61 4.462 7.186 -6.982 60 HE1 PHE 61 HE1 PHE 61 -0.126 7.603 -5.274 61 HE2 PHE 61 HE2 PHE 61 3.244 9.287 -7.247 62 HZ PHE 61 HZ PHE 61 0.979 9.533 -6.306 63 H LEU 62 HN LEU 62 4.537 2.892 -8.119 64 HA LEU 62 HA LEU 62 5.246 0.493 -6.593 65 1HB LEU 62 HB1 LEU 62 5.583 1.309 -9.456 66 2HB LEU 62 HB2 LEU 62 6.660 0.032 -8.760 67 HG LEU 62 HG LEU 62 4.539 -0.665 -10.034 68 1HD1 LEU 62 HD12 LEU 62 5.704 -2.197 -8.437 69 2HD1 LEU 62 HD13 LEU 62 4.573 -1.633 -7.131 70 3HD1 LEU 62 HD11 LEU 62 3.933 -2.482 -8.582 71 1HD2 LEU 62 HD22 LEU 62 3.043 1.116 -9.229 72 2HD2 LEU 62 HD23 LEU 62 2.377 -0.543 -8.970 73 3HD2 LEU 62 HD21 LEU 62 3.058 0.360 -7.573 74 HA PRO 63 HA PRO 63 8.907 2.142 -5.317 75 1HB PRO 63 HB1 PRO 63 10.444 -0.243 -6.121 76 2HB PRO 63 HB2 PRO 63 10.283 0.505 -4.563 77 1HG PRO 63 HG1 PRO 63 8.964 -1.785 -5.616 78 2HG PRO 63 HG2 PRO 63 8.522 -1.019 -4.135 79 1HD PRO 63 HD1 PRO 63 6.907 -1.148 -6.433 80 2HD PRO 63 HD2 PRO 63 6.648 -0.057 -5.168 81 H ASN 64 HN ASN 64 9.033 3.771 -7.005 82 HA ASN 64 HA ASN 64 10.391 4.933 -8.293 83 1HB ASN 64 HB1 ASN 64 12.241 2.510 -8.618 84 2HB ASN 64 HB2 ASN 64 12.590 4.195 -9.132 85 1HD2 ASN 64 HD21 ASN 64 13.362 3.167 -5.312 86 2HD2 ASN 64 HD22 ASN 64 13.026 2.027 -6.574 87 H LYS 65 HN LYS 65 8.243 2.824 -9.119 88 HA LYS 65 HA LYS 65 8.845 3.070 -11.990 89 1HB LYS 65 HB1 LYS 65 6.962 0.979 -10.862 90 2HB LYS 65 HB2 LYS 65 7.742 1.049 -12.465 91 1HG LYS 65 HG1 LYS 65 9.180 0.654 -9.749 92 2HG LYS 65 HG2 LYS 65 8.603 -0.676 -10.744 93 1HD LYS 65 HD1 LYS 65 10.259 -0.505 -12.329 94 2HD LYS 65 HD2 LYS 65 10.345 1.273 -12.234 95 1HE LYS 65 HE1 LYS 65 12.434 0.173 -11.416 96 2HE LYS 65 HE2 LYS 65 11.651 1.283 -10.219 97 1HZ LYS 65 HZ3 LYS 65 10.949 -1.556 -10.197 98 2HZ LYS 65 HZ1 LYS 65 12.437 -1.055 -9.537 99 3HZ LYS 65 HZ2 LYS 65 10.988 -0.409 -8.936 100 H GLN 66 HN GLN 66 5.839 2.086 -10.612 101 HA GLN 66 HA GLN 66 4.686 4.418 -11.762 102 1HB GLN 66 HB1 GLN 66 4.333 1.432 -12.002 103 2HB GLN 66 HB2 GLN 66 2.796 2.146 -11.727 104 1HG GLN 66 HG1 GLN 66 4.431 3.542 -13.835 105 2HG GLN 66 HG2 GLN 66 4.225 1.801 -14.149 106 1HE2 GLN 66 HE21 GLN 66 0.896 4.295 -14.164 107 2HE2 GLN 66 HE22 GLN 66 2.455 4.882 -13.715 108 H ARG 67 HN ARG 67 1.992 3.941 -11.370 109 HA ARG 67 HA ARG 67 1.583 3.676 -8.551 110 1HB ARG 67 HB1 ARG 67 0.396 5.903 -8.398 111 2HB ARG 67 HB2 ARG 67 2.163 5.992 -8.419 112 1HG ARG 67 HG1 ARG 67 0.941 6.127 -11.151 113 2HG ARG 67 HG2 ARG 67 0.381 7.402 -10.070 114 1HD ARG 67 HD1 ARG 67 2.810 7.966 -9.504 115 2HD ARG 67 HD2 ARG 67 3.315 6.786 -10.783 116 HE ARG 67 HE ARG 67 1.769 8.233 -12.340 117 1HH1 ARG 67 HH22 ARG 67 4.450 8.916 -10.315 118 2HH1 ARG 67 HH21 ARG 67 4.925 10.301 -11.240 119 1HH2 ARG 67 HH12 ARG 67 2.008 10.383 -13.192 120 2HH2 ARG 67 HH11 ARG 67 3.561 11.093 -12.931 121 H THR 68 HN THR 68 -0.795 3.868 -8.085 122 HA THR 68 HA THR 68 -2.597 3.944 -10.249 123 HB THR 68 HB THR 68 -1.620 1.664 -10.755 124 HG1 THR 68 HG1 THR 68 -3.715 0.625 -10.560 125 1HG2 THR 68 HG23 THR 68 -1.086 1.019 -8.357 126 2HG2 THR 68 HG21 THR 68 -2.861 0.789 -8.088 127 3HG2 THR 68 HG22 THR 68 -1.991 -0.224 -9.301 128 H VAL 69 HN VAL 69 -4.839 2.943 -9.295 129 HA VAL 69 HA VAL 69 -4.863 3.727 -6.435 130 HB VAL 69 HB VAL 69 -6.011 5.475 -7.449 131 1HG1 VAL 69 HG12 VAL 69 -6.357 4.578 -9.732 132 2HG1 VAL 69 HG13 VAL 69 -7.595 3.417 -9.097 133 3HG1 VAL 69 HG11 VAL 69 -7.897 5.194 -9.036 134 1HG2 VAL 69 HG21 VAL 69 -7.039 4.562 -5.442 135 2HG2 VAL 69 HG22 VAL 69 -8.172 5.415 -6.553 136 3HG2 VAL 69 HG23 VAL 69 -8.185 3.619 -6.490 137 H VAL 70 HN VAL 70 -6.013 2.394 -5.083 138 HA VAL 70 HA VAL 70 -7.289 0.046 -6.350 139 HB VAL 70 HB VAL 70 -6.377 -1.401 -4.584 140 1HG1 VAL 70 HG12 VAL 70 -5.212 -1.354 -6.761 141 2HG1 VAL 70 HG13 VAL 70 -4.168 -0.007 -6.177 142 3HG1 VAL 70 HG11 VAL 70 -4.075 -1.633 -5.379 143 1HG2 VAL 70 HG23 VAL 70 -4.664 1.007 -3.775 144 2HG2 VAL 70 HG21 VAL 70 -5.935 0.179 -2.789 145 3HG2 VAL 70 HG22 VAL 70 -4.431 -0.704 -3.225 146 H ASN 71 HN ASN 71 -8.826 -1.011 -4.850 147 HA ASN 71 HA ASN 71 -9.924 0.989 -2.952 148 1HB ASN 71 HB1 ASN 71 -11.412 -1.142 -4.587 149 2HB ASN 71 HB2 ASN 71 -12.140 -0.107 -3.287 150 1HD2 ASN 71 HD21 ASN 71 -12.902 1.587 -6.508 151 2HD2 ASN 71 HD22 ASN 71 -13.326 0.105 -5.718 152 H VAL 72 HN VAL 72 -10.590 0.144 -0.921 153 HA VAL 72 HA VAL 72 -9.484 -2.551 -0.411 154 HB VAL 72 HB VAL 72 -8.646 -0.552 0.991 155 1HG1 VAL 72 HG11 VAL 72 -10.992 0.409 1.384 156 2HG1 VAL 72 HG12 VAL 72 -11.299 -0.999 2.465 157 3HG1 VAL 72 HG13 VAL 72 -9.970 0.100 2.888 158 1HG2 VAL 72 HG21 VAL 72 -9.873 -2.975 2.418 159 2HG2 VAL 72 HG22 VAL 72 -8.188 -2.843 1.699 160 3HG2 VAL 72 HG23 VAL 72 -8.684 -1.849 3.109 161 H ARG 73 HN ARG 73 -10.887 -4.175 0.266 162 HA ARG 73 HA ARG 73 -13.746 -3.406 0.294 163 1HB ARG 73 HB1 ARG 73 -12.297 -5.966 -0.368 164 2HB ARG 73 HB2 ARG 73 -13.935 -6.040 0.301 165 1HG ARG 73 HG1 ARG 73 -14.006 -6.090 -2.158 166 2HG ARG 73 HG2 ARG 73 -14.876 -4.700 -1.511 167 1HD ARG 73 HD1 ARG 73 -11.918 -4.347 -2.282 168 2HD ARG 73 HD2 ARG 73 -13.111 -4.553 -3.607 169 HE ARG 73 HE ARG 73 -13.206 -2.346 -1.497 170 1HH1 ARG 73 HH22 ARG 73 -14.989 -4.047 -3.948 171 2HH1 ARG 73 HH21 ARG 73 -16.141 -2.768 -4.139 172 1HH2 ARG 73 HH12 ARG 73 -14.437 -0.490 -2.055 173 2HH2 ARG 73 HH11 ARG 73 -15.828 -0.753 -3.059 174 H ASN 74 HN ASN 74 -14.966 -5.008 1.926 175 HA ASN 74 HA ASN 74 -13.992 -4.099 4.409 176 1HB ASN 74 HB1 ASN 74 -16.083 -6.280 4.163 177 2HB ASN 74 HB2 ASN 74 -15.921 -5.061 5.433 178 1HD2 ASN 74 HD21 ASN 74 -17.630 -2.484 3.552 179 2HD2 ASN 74 HD22 ASN 74 -16.676 -2.844 4.948 180 H GLY 75 HN GLY 75 -12.255 -4.946 5.322 181 1HA GLY 75 HA2 GLY 75 -11.276 -6.459 6.569 182 2HA GLY 75 HA1 GLY 75 -12.221 -7.820 5.846 183 H MET 76 HN MET 76 -10.611 -5.486 3.715 184 HA MET 76 HA MET 76 -8.784 -7.519 2.990 185 1HB MET 76 HB1 MET 76 -8.994 -4.666 1.951 186 2HB MET 76 HB2 MET 76 -7.813 -5.599 1.478 187 1HG MET 76 HG1 MET 76 -9.531 -7.536 0.819 188 2HG MET 76 HG2 MET 76 -10.773 -6.452 1.158 189 1HE MET 76 HE1 MET 76 -11.136 -7.349 -1.609 190 2HE MET 76 HE2 MET 76 -10.093 -6.811 -2.964 191 3HE MET 76 HE3 MET 76 -9.474 -8.010 -1.789 192 H SER 77 HN SER 77 -6.560 -7.474 3.106 193 HA SER 77 HA SER 77 -5.435 -5.714 5.257 194 1HB SER 77 HB1 SER 77 -4.308 -8.271 4.048 195 2HB SER 77 HB2 SER 77 -3.744 -7.445 5.418 196 HG SER 77 HG1 SER 77 -5.627 -9.378 5.108 197 H LEU 78 HN LEU 78 -3.286 -4.959 4.860 198 HA LEU 78 HA LEU 78 -2.552 -4.128 2.488 199 1HB LEU 78 HB1 LEU 78 -0.957 -5.047 4.870 200 2HB LEU 78 HB2 LEU 78 -0.043 -4.748 3.377 201 HG LEU 78 HG LEU 78 -0.083 -2.776 4.828 202 1HD1 LEU 78 HD22 LEU 78 0.066 -2.873 2.115 203 2HD1 LEU 78 HD23 LEU 78 -1.575 -2.165 2.233 204 3HD1 LEU 78 HD21 LEU 78 -0.334 -1.225 2.966 205 1HD2 LEU 78 HD12 LEU 78 -2.942 -2.635 3.766 206 2HD2 LEU 78 HD13 LEU 78 -2.333 -2.512 5.432 207 3HD2 LEU 78 HD11 LEU 78 -1.972 -1.188 4.281 208 H HIS 79 HN HSP 79 -1.222 -7.144 3.702 209 HA HIS 79 HA HSP 79 -0.218 -7.881 1.310 210 1HB HIS 79 HB1 HSP 79 -0.618 -9.266 3.958 211 2HB HIS 79 HB2 HSP 79 -0.723 -10.401 2.691 212 HD1 HIS 79 HD1 HSP 79 1.454 -9.166 0.730 213 HD2 HIS 79 HD2 HSP 79 2.057 -9.756 4.832 214 HE1 HIS 79 HE1 HSP 79 3.956 -9.014 1.239 215 HE2 HIS 79 HE2 HSP 79 4.253 -9.700 3.588 216 H ASP 80 HN ASP 80 -3.547 -8.132 2.192 217 HA ASP 80 HA ASP 80 -3.983 -10.161 0.089 218 1HB ASP 80 HB1 ASP 80 -5.963 -8.826 2.024 219 2HB ASP 80 HB2 ASP 80 -6.297 -10.197 0.905 220 H CYS 81 HN CYS 81 -4.224 -6.795 0.929 221 HA CYS 81 HA CYS 81 -6.037 -6.213 -1.250 222 1HB CYS 81 HB1 CYS 81 -5.749 -5.254 1.329 223 2HB CYS 81 HB2 CYS 81 -4.696 -4.195 0.615 224 HG1 CYS 81 HG1 CYS 81 -6.056 -3.508 -1.615 225 H LEU 82 HN LEU 82 -2.629 -6.022 -0.485 226 HA LEU 82 HA LEU 82 -2.033 -4.380 -2.833 227 1HB LEU 82 HB1 LEU 82 -0.359 -5.841 -0.695 228 2HB LEU 82 HB2 LEU 82 0.380 -5.054 -1.984 229 HG LEU 82 HG LEU 82 -0.505 -4.056 0.523 230 1HD1 LEU 82 HD12 LEU 82 0.313 -2.458 -2.032 231 2HD1 LEU 82 HD13 LEU 82 0.183 -1.697 -0.406 232 3HD1 LEU 82 HD11 LEU 82 1.430 -2.974 -0.706 233 1HD2 LEU 82 HD22 LEU 82 -2.401 -2.985 -1.521 234 2HD2 LEU 82 HD23 LEU 82 -2.685 -3.738 0.091 235 3HD2 LEU 82 HD21 LEU 82 -1.953 -2.099 0.011 236 H MET 83 HN MET 83 -1.554 -7.647 -1.557 237 HA MET 83 HA MET 83 -0.157 -8.761 -3.739 238 1HB MET 83 HB1 MET 83 -0.658 -9.798 -1.475 239 2HB MET 83 HB2 MET 83 -2.351 -9.714 -1.767 240 1HG MET 83 HG1 MET 83 -2.215 -11.848 -2.227 241 2HG MET 83 HG2 MET 83 -2.246 -11.188 -3.783 242 1HE MET 83 HE2 MET 83 -0.346 -11.618 -5.510 243 2HE MET 83 HE3 MET 83 0.708 -10.372 -4.759 244 3HE MET 83 HE1 MET 83 1.380 -11.972 -5.179 245 H LYS 84 HN LYS 84 -3.525 -7.759 -3.345 246 HA LYS 84 HA LYS 84 -4.583 -8.859 -5.761 247 1HB LYS 84 HB1 LYS 84 -5.949 -8.405 -3.971 248 2HB LYS 84 HB2 LYS 84 -5.157 -6.862 -3.628 249 1HG LYS 84 HG1 LYS 84 -6.561 -7.297 -6.272 250 2HG LYS 84 HG2 LYS 84 -7.405 -6.778 -4.709 251 1HD LYS 84 HD1 LYS 84 -6.708 -4.797 -4.502 252 2HD LYS 84 HD2 LYS 84 -5.185 -5.087 -5.211 253 1HE LYS 84 HE1 LYS 84 -7.686 -5.298 -7.013 254 2HE LYS 84 HE2 LYS 84 -7.176 -3.630 -6.444 255 1HZ LYS 84 HZ3 LYS 84 -5.343 -5.567 -7.727 256 2HZ LYS 84 HZ1 LYS 84 -6.321 -4.506 -8.627 257 3HZ LYS 84 HZ2 LYS 84 -5.171 -3.885 -7.543 258 H ALA 85 HN ALA 85 -3.294 -5.644 -4.812 259 HA ALA 85 HA ALA 85 -3.417 -4.528 -7.376 260 1HB ALA 85 HB1 ALA 85 -2.876 -3.398 -5.036 261 2HB ALA 85 HB2 ALA 85 -1.177 -4.064 -5.217 262 3HB ALA 85 HB3 ALA 85 -1.777 -2.855 -6.379 263 H LEU 86 HN LEU 86 -0.566 -6.000 -5.753 264 HA LEU 86 HA LEU 86 1.150 -5.452 -8.025 265 1HB LEU 86 HB1 LEU 86 1.443 -7.378 -5.670 266 2HB LEU 86 HB2 LEU 86 2.704 -6.884 -6.605 267 HG LEU 86 HG LEU 86 0.861 -4.786 -5.237 268 1HD1 LEU 86 HD21 LEU 86 1.092 -6.348 -3.612 269 2HD1 LEU 86 HD22 LEU 86 2.897 -6.168 -3.630 270 3HD1 LEU 86 HD23 LEU 86 1.783 -4.763 -3.220 271 1HD2 LEU 86 HD11 LEU 86 2.359 -3.866 -6.845 272 2HD2 LEU 86 HD12 LEU 86 2.587 -3.248 -5.189 273 3HD2 LEU 86 HD13 LEU 86 3.772 -4.465 -5.876 274 H LYS 87 HN LYS 87 -0.557 -8.158 -6.690 275 HA LYS 87 HA LYS 87 0.072 -10.053 -8.391 276 1HB LYS 87 HB1 LYS 87 -2.604 -9.226 -7.240 277 2HB LYS 87 HB2 LYS 87 -2.948 -9.711 -8.724 278 1HG LYS 87 HG1 LYS 87 -1.146 -11.778 -7.548 279 2HG LYS 87 HG2 LYS 87 -2.665 -11.546 -6.667 280 1HD LYS 87 HD1 LYS 87 -3.961 -11.907 -8.800 281 2HD LYS 87 HD2 LYS 87 -2.473 -12.017 -9.720 282 1HE LYS 87 HE1 LYS 87 -3.206 -13.950 -7.397 283 2HE LYS 87 HE2 LYS 87 -3.558 -14.277 -9.143 284 1HZ LYS 87 HZ3 LYS 87 -1.210 -14.063 -9.597 285 2HZ LYS 87 HZ1 LYS 87 -0.883 -13.813 -7.954 286 3HZ LYS 87 HZ2 LYS 87 -1.528 -15.297 -8.471 287 H VAL 88 HN VAL 88 -2.406 -7.725 -9.245 288 HA VAL 88 HA VAL 88 -2.707 -8.193 -11.895 289 HB VAL 88 HB VAL 88 -2.502 -5.399 -10.582 290 1HG1 VAL 88 HG13 VAL 88 -4.012 -6.098 -13.084 291 2HG1 VAL 88 HG11 VAL 88 -4.044 -4.535 -12.153 292 3HG1 VAL 88 HG12 VAL 88 -2.521 -5.049 -12.887 293 1HG2 VAL 88 HG23 VAL 88 -4.293 -7.456 -9.838 294 2HG2 VAL 88 HG21 VAL 88 -4.311 -5.709 -9.396 295 3HG2 VAL 88 HG22 VAL 88 -5.236 -6.291 -10.837 296 H ARG 89 HN ARG 89 -0.175 -6.233 -10.335 297 HA ARG 89 HA ARG 89 0.908 -5.284 -12.786 298 1HB ARG 89 HB1 ARG 89 2.178 -5.288 -10.041 299 2HB ARG 89 HB2 ARG 89 2.463 -4.166 -11.363 300 1HG ARG 89 HG1 ARG 89 -0.404 -4.151 -10.824 301 2HG ARG 89 HG2 ARG 89 0.330 -4.217 -9.272 302 1HD ARG 89 HD1 ARG 89 0.017 -1.874 -9.878 303 2HD ARG 89 HD2 ARG 89 1.818 -2.178 -10.088 304 HE ARG 89 HE ARG 89 -0.075 -2.429 -12.426 305 1HH1 ARG 89 HH22 ARG 89 1.100 -0.002 -10.450 306 2HH1 ARG 89 HH21 ARG 89 1.224 1.139 -11.748 307 1HH2 ARG 89 HH12 ARG 89 0.747 -1.217 -14.295 308 2HH2 ARG 89 HH11 ARG 89 0.988 0.453 -13.933 309 H GLY 90 HN GLY 90 1.556 -7.985 -10.569 310 1HA GLY 90 HA2 GLY 90 2.553 -9.942 -11.298 311 2HA GLY 90 HA1 GLY 90 3.445 -9.070 -12.587 312 H LEU 91 HN LEU 91 3.041 -8.001 -9.184 313 HA LEU 91 HA LEU 91 6.006 -8.149 -8.964 314 1HB LEU 91 HB1 LEU 91 3.899 -6.204 -7.925 315 2HB LEU 91 HB2 LEU 91 5.443 -6.386 -7.075 316 HG LEU 91 HG LEU 91 4.731 -4.765 -9.339 317 1HD1 LEU 91 HD22 LEU 91 6.401 -4.155 -7.553 318 2HD1 LEU 91 HD23 LEU 91 7.558 -5.358 -8.247 319 3HD1 LEU 91 HD21 LEU 91 7.056 -3.924 -9.222 320 1HD2 LEU 91 HD13 LEU 91 6.716 -6.853 -10.289 321 2HD2 LEU 91 HD11 LEU 91 5.038 -6.449 -10.950 322 3HD2 LEU 91 HD12 LEU 91 6.371 -5.282 -11.063 323 H GLN 92 HN GLN 92 6.729 -8.313 -6.614 324 HA GLN 92 HA GLN 92 5.079 -10.395 -5.331 325 1HB GLN 92 HB1 GLN 92 7.992 -9.672 -4.783 326 2HB GLN 92 HB2 GLN 92 7.078 -11.057 -4.127 327 1HG GLN 92 HG1 GLN 92 6.813 -11.918 -6.525 328 2HG GLN 92 HG2 GLN 92 7.874 -10.582 -7.073 329 1HE2 GLN 92 HE21 GLN 92 10.223 -13.454 -6.424 330 2HE2 GLN 92 HE22 GLN 92 9.072 -13.002 -7.611 331 HA PRO 93 HA PRO 93 4.818 -7.259 -2.278 332 1HB PRO 93 HB1 PRO 93 3.070 -8.401 -0.621 333 2HB PRO 93 HB2 PRO 93 2.577 -7.764 -2.162 334 1HG PRO 93 HG1 PRO 93 2.928 -10.631 -1.471 335 2HG PRO 93 HG2 PRO 93 1.764 -9.872 -2.531 336 1HD PRO 93 HD1 PRO 93 4.010 -11.184 -3.437 337 2HD PRO 93 HD2 PRO 93 3.275 -9.879 -4.325 338 H GLU 94 HN GLU 94 5.687 -10.691 -1.670 339 HA GLU 94 HA GLU 94 5.882 -10.316 1.130 340 1HB GLU 94 HB1 GLU 94 7.324 -12.533 -0.386 341 2HB GLU 94 HB2 GLU 94 6.764 -12.542 1.290 342 1HG GLU 94 HG1 GLU 94 5.004 -13.749 0.456 343 2HG GLU 94 HG2 GLU 94 4.329 -12.121 0.047 344 H CYS 95 HN CYS 95 8.059 -9.697 -1.565 345 HA CYS 95 HA CYS 95 10.395 -9.678 0.233 346 1HB CYS 95 HB1 CYS 95 10.076 -9.336 -2.785 347 2HB CYS 95 HB2 CYS 95 11.617 -9.187 -1.909 348 HG1 CYS 95 HG1 CYS 95 10.268 -11.664 -3.138 349 H CYS 96 HN CYS 96 7.879 -7.631 -0.255 350 HA CYS 96 HA CYS 96 9.634 -5.271 -0.554 351 1HB CYS 96 HB1 CYS 96 6.704 -5.712 -1.318 352 2HB CYS 96 HB2 CYS 96 7.535 -4.183 -1.424 353 HG1 CYS 96 HG1 CYS 96 7.385 -6.459 -3.511 354 H ALA 97 HN ALA 97 8.335 -3.283 0.317 355 HA ALA 97 HA ALA 97 6.968 -3.937 2.829 356 1HB ALA 97 HB1 ALA 97 9.264 -1.944 2.350 357 2HB ALA 97 HB2 ALA 97 8.035 -1.661 3.637 358 3HB ALA 97 HB3 ALA 97 9.061 -3.113 3.725 359 H VAL 98 HN VAL 98 5.544 -2.046 3.355 360 HA VAL 98 HA VAL 98 5.036 -0.326 1.038 361 HB VAL 98 HB VAL 98 3.408 -2.023 0.751 362 1HG1 VAL 98 HG11 VAL 98 3.763 -2.692 3.396 363 2HG1 VAL 98 HG12 VAL 98 2.201 -1.871 3.470 364 3HG1 VAL 98 HG13 VAL 98 2.498 -3.303 2.300 365 1HG2 VAL 98 HG22 VAL 98 2.496 0.347 0.770 366 2HG2 VAL 98 HG23 VAL 98 1.293 -0.948 1.173 367 3HG2 VAL 98 HG21 VAL 98 1.957 0.030 2.490 368 H PHE 99 HN PHE 99 3.894 1.634 1.620 369 HA PHE 99 HA PHE 99 4.387 2.445 4.407 370 1HB PHE 99 HB1 PHE 99 5.854 3.479 1.919 371 2HB PHE 99 HB2 PHE 99 5.541 4.558 3.216 372 HD1 PHE 99 HD1 PHE 99 6.845 1.252 1.990 373 HD2 PHE 99 HD2 PHE 99 7.243 3.987 5.282 374 HE1 PHE 99 HE1 PHE 99 9.014 0.335 2.580 375 HE2 PHE 99 HE2 PHE 99 9.437 3.163 5.685 376 HZ PHE 99 HZ PHE 99 10.494 1.787 3.910 377 H ARG 100 HN ARG 100 3.609 4.560 4.793 378 HA ARG 100 HA ARG 100 1.617 5.670 2.841 379 1HB ARG 100 HB1 ARG 100 2.283 6.296 5.700 380 2HB ARG 100 HB2 ARG 100 1.506 7.446 4.680 381 1HG ARG 100 HG1 ARG 100 -0.461 6.269 4.236 382 2HG ARG 100 HG2 ARG 100 0.211 4.727 4.731 383 1HD ARG 100 HD1 ARG 100 -0.957 5.037 6.619 384 2HD ARG 100 HD2 ARG 100 0.534 5.855 7.145 385 HE ARG 100 HE ARG 100 -1.982 7.240 6.056 386 1HH1 ARG 100 HH22 ARG 100 1.292 7.603 7.287 387 2HH1 ARG 100 HH21 ARG 100 1.170 9.336 7.389 388 1HH2 ARG 100 HH12 ARG 100 -2.233 9.458 6.460 389 2HH2 ARG 100 HH11 ARG 100 -0.833 10.379 6.963 390 H LEU 101 HN LEU 101 2.341 7.523 1.708 391 HA LEU 101 HA LEU 101 5.087 8.053 1.747 392 1HB LEU 101 HB1 LEU 101 2.671 9.531 0.490 393 2HB LEU 101 HB2 LEU 101 4.341 10.077 0.225 394 HG LEU 101 HG LEU 101 4.902 7.736 -0.635 395 1HD1 LEU 101 HD23 LEU 101 1.988 7.336 -0.331 396 2HD1 LEU 101 HD21 LEU 101 2.894 6.568 -1.685 397 3HD1 LEU 101 HD22 LEU 101 3.388 6.255 0.027 398 1HD2 LEU 101 HD11 LEU 101 4.468 9.718 -2.218 399 2HD2 LEU 101 HD12 LEU 101 3.883 8.156 -2.906 400 3HD2 LEU 101 HD13 LEU 101 2.698 9.304 -2.186 401 H LEU 102 HN LEU 102 5.396 10.831 1.558 402 HA LEU 102 HA LEU 102 5.362 11.447 4.324 403 1HB LEU 102 HB1 LEU 102 6.414 13.633 3.282 404 2HB LEU 102 HB2 LEU 102 7.330 12.139 3.623 405 HG LEU 102 HG LEU 102 7.075 11.341 1.316 406 1HD1 LEU 102 HD21 LEU 102 4.900 12.593 0.844 407 2HD1 LEU 102 HD22 LEU 102 5.858 14.076 0.666 408 3HD1 LEU 102 HD23 LEU 102 6.172 12.677 -0.458 409 1HD2 LEU 102 HD11 LEU 102 9.087 12.495 1.932 410 2HD2 LEU 102 HD12 LEU 102 8.612 12.850 0.228 411 3HD2 LEU 102 HD13 LEU 102 8.343 14.088 1.519 412 H HIS 103 HN HSP 103 2.882 11.408 4.408 413 HA HIS 103 HA HSP 103 1.798 13.992 3.530 414 1HB HIS 103 HB1 HSP 103 0.551 11.578 4.920 415 2HB HIS 103 HB2 HSP 103 -0.309 13.139 4.652 416 HD1 HIS 103 HD1 HSP 103 -1.827 11.176 3.333 417 HD2 HIS 103 HD2 HSP 103 1.610 12.725 1.449 418 HE1 HIS 103 HE1 HSP 103 -2.101 10.842 0.852 419 HE2 HIS 103 HE2 HSP 103 -0.064 11.803 -0.272 420 H GLU 104 HN GLU 104 3.590 12.619 6.124 421 HA GLU 104 HA GLU 104 2.939 14.993 7.737 422 1HB GLU 104 HB1 GLU 104 3.226 12.191 8.952 423 2HB GLU 104 HB2 GLU 104 2.911 13.699 9.814 424 1HG GLU 104 HG1 GLU 104 0.772 12.804 9.791 425 2HG GLU 104 HG2 GLU 104 0.710 13.904 8.359 426 H HIS 105 HN HSP 105 5.186 14.090 5.852 427 HA HIS 105 HA HSP 105 7.296 14.295 7.851 428 1HB HIS 105 HB1 HSP 105 7.986 12.342 5.718 429 2HB HIS 105 HB2 HSP 105 8.466 12.402 7.436 430 HD1 HIS 105 HD1 HSP 105 6.075 11.849 9.000 431 HD2 HIS 105 HD2 HSP 105 6.405 10.230 5.153 432 HE1 HIS 105 HE1 HSP 105 4.523 9.853 8.895 433 HE2 HIS 105 HE2 HSP 105 4.663 8.981 6.527 434 H LYS 106 HN LYS 106 9.451 14.669 6.587 435 HA LYS 106 HA LYS 106 8.781 16.434 4.397 436 1HB LYS 106 HB1 LYS 106 10.052 17.315 6.410 437 2HB LYS 106 HB2 LYS 106 11.306 16.107 6.114 438 1HG LYS 106 HG1 LYS 106 12.067 18.230 5.247 439 2HG LYS 106 HG2 LYS 106 11.840 17.141 3.891 440 1HD LYS 106 HD1 LYS 106 10.959 19.375 3.304 441 2HD LYS 106 HD2 LYS 106 9.654 18.182 3.299 442 1HE LYS 106 HE1 LYS 106 8.864 20.250 4.372 443 2HE LYS 106 HE2 LYS 106 8.953 18.954 5.623 444 1HZ LYS 106 HZ3 LYS 106 11.003 21.041 5.081 445 2HZ LYS 106 HZ1 LYS 106 9.896 21.024 6.371 446 3HZ LYS 106 HZ2 LYS 106 11.105 19.834 6.265 447 H GLY 107 HN GLY 107 10.746 13.661 5.257 448 1HA GLY 107 HA2 GLY 107 11.113 13.002 2.452 449 2HA GLY 107 HA1 GLY 107 12.581 13.522 3.348 450 H LYS 108 HN LYS 108 9.650 11.443 4.109 451 HA LYS 108 HA LYS 108 11.298 9.153 4.507 452 1HB LYS 108 HB1 LYS 108 9.973 10.507 6.873 453 2HB LYS 108 HB2 LYS 108 10.415 8.779 6.808 454 1HG LYS 108 HG1 LYS 108 12.814 9.835 6.071 455 2HG LYS 108 HG2 LYS 108 12.205 11.199 7.019 456 1HD LYS 108 HD1 LYS 108 11.811 9.379 8.906 457 2HD LYS 108 HD2 LYS 108 12.529 8.191 7.792 458 1HE LYS 108 HE1 LYS 108 14.692 9.488 7.782 459 2HE LYS 108 HE2 LYS 108 13.962 10.689 8.923 460 1HZ LYS 108 HZ2 LYS 108 13.607 8.905 10.483 461 2HZ LYS 108 HZ3 LYS 108 14.292 7.780 9.414 462 3HZ LYS 108 HZ1 LYS 108 15.247 9.028 10.057 463 H LYS 109 HN LYS 109 9.864 7.351 4.718 464 HA LYS 109 HA LYS 109 7.053 7.969 4.129 465 1HB LYS 109 HB1 LYS 109 8.943 5.804 3.144 466 2HB LYS 109 HB2 LYS 109 7.588 5.278 3.380 467 1HG LYS 109 HG1 LYS 109 7.118 7.764 1.810 468 2HG LYS 109 HG2 LYS 109 8.722 7.246 1.368 469 1HD LYS 109 HD1 LYS 109 6.156 5.579 1.078 470 2HD LYS 109 HD2 LYS 109 7.004 6.331 -0.184 471 1HE LYS 109 HE1 LYS 109 8.337 4.197 1.619 472 2HE LYS 109 HE2 LYS 109 7.522 3.815 0.056 473 1HZ LYS 109 HZ1 LYS 109 9.068 5.385 -0.990 474 2HZ LYS 109 HZ2 LYS 109 9.862 5.591 0.503 475 3HZ LYS 109 HZ3 LYS 109 9.852 4.062 -0.273 476 H ALA 110 HN ALA 110 5.615 6.517 5.199 477 HA ALA 110 HA ALA 110 6.701 5.956 7.905 478 1HB ALA 110 HB3 ALA 110 3.813 6.619 7.285 479 2HB ALA 110 HB1 ALA 110 4.431 5.908 8.835 480 3HB ALA 110 HB2 ALA 110 4.965 7.541 8.340 481 H ARG 111 HN ARG 111 6.825 3.667 8.367 482 HA ARG 111 HA ARG 111 6.029 2.130 6.070 483 1HB ARG 111 HB1 ARG 111 8.378 2.374 7.366 484 2HB ARG 111 HB2 ARG 111 7.566 1.280 8.536 485 1HG ARG 111 HG1 ARG 111 7.508 0.484 5.627 486 2HG ARG 111 HG2 ARG 111 9.041 0.358 6.514 487 1HD ARG 111 HD1 ARG 111 7.753 -0.860 8.364 488 2HD ARG 111 HD2 ARG 111 6.359 -0.809 7.413 489 HE ARG 111 HE ARG 111 8.953 -2.000 6.156 490 1HH1 ARG 111 HH22 ARG 111 5.827 -2.739 7.659 491 2HH1 ARG 111 HH21 ARG 111 6.054 -4.446 7.466 492 1HH2 ARG 111 HH12 ARG 111 8.913 -4.155 5.438 493 2HH2 ARG 111 HH11 ARG 111 7.747 -5.242 6.113 494 H LEU 112 HN LEU 112 4.680 0.447 6.266 495 HA LEU 112 HA LEU 112 2.896 0.717 8.620 496 1HB LEU 112 HB1 LEU 112 2.218 -0.285 5.821 497 2HB LEU 112 HB2 LEU 112 1.085 0.145 7.155 498 HG LEU 112 HG LEU 112 2.892 2.156 5.843 499 1HD1 LEU 112 HD11 LEU 112 1.145 1.166 4.271 500 2HD1 LEU 112 HD12 LEU 112 -0.109 1.803 5.385 501 3HD1 LEU 112 HD13 LEU 112 1.031 2.944 4.559 502 1HD2 LEU 112 HD22 LEU 112 0.555 2.469 7.771 503 2HD2 LEU 112 HD23 LEU 112 2.277 2.824 8.092 504 3HD2 LEU 112 HD21 LEU 112 1.404 3.828 6.871 505 H ASP 113 HN ASP 113 1.278 -1.438 7.985 506 HA ASP 113 HA ASP 113 3.065 -3.593 8.792 507 1HB ASP 113 HB1 ASP 113 0.923 -3.018 10.199 508 2HB ASP 113 HB2 ASP 113 0.091 -4.001 8.898 509 H TRP 114 HN TRP 114 1.829 -5.886 7.844 510 HA TRP 114 HA TRP 114 1.792 -5.326 5.162 511 1HB TRP 114 HB1 TRP 114 3.773 -7.005 6.584 512 2HB TRP 114 HB2 TRP 114 2.677 -8.172 5.830 513 HD1 TRP 114 HD1 TRP 114 5.779 -7.803 4.788 514 HE1 TRP 114 HE1 TRP 114 6.286 -6.778 2.450 515 HE3 TRP 114 HE3 TRP 114 1.196 -6.387 3.830 516 HZ2 TRP 114 HZ2 TRP 114 4.579 -5.845 0.244 517 HZ3 TRP 114 HZ3 TRP 114 0.528 -5.661 1.520 518 HH2 TRP 114 HH2 TRP 114 2.176 -5.340 -0.183 519 H ASN 115 HN ASN 115 0.249 -6.085 7.910 520 HA ASN 115 HA ASN 115 -1.873 -7.405 6.314 521 1HB ASN 115 HB1 ASN 115 -0.684 -8.270 8.722 522 2HB ASN 115 HB2 ASN 115 -1.954 -7.271 9.362 523 1HD2 ASN 115 HD21 ASN 115 -4.641 -9.316 7.995 524 2HD2 ASN 115 HD22 ASN 115 -4.216 -7.668 8.314 525 H THR 116 HN THR 116 -1.021 -4.519 6.546 526 HA THR 116 HA THR 116 -2.323 -3.592 8.650 527 HB THR 116 HB THR 116 -0.383 -2.471 6.987 528 HG1 THR 116 HG1 THR 116 -1.408 -1.183 9.178 529 1HG2 THR 116 HG21 THR 116 -2.615 -0.836 6.335 530 2HG2 THR 116 HG22 THR 116 -2.592 -0.449 8.077 531 3HG2 THR 116 HG23 THR 116 -1.168 -0.018 7.035 532 H ASP 117 HN ASP 117 -4.329 -2.399 8.913 533 HA ASP 117 HA ASP 117 -6.447 -2.708 7.071 534 1HB ASP 117 HB1 ASP 117 -6.193 -0.652 9.271 535 2HB ASP 117 HB2 ASP 117 -7.683 -1.391 8.514 536 H ALA 118 HN ALA 118 -5.505 -2.006 5.092 537 HA ALA 118 HA ALA 118 -4.647 0.541 4.294 538 1HB ALA 118 HB3 ALA 118 -6.649 -1.462 3.014 539 2HB ALA 118 HB1 ALA 118 -5.725 -0.183 2.132 540 3HB ALA 118 HB2 ALA 118 -4.869 -1.587 2.915 541 H ALA 119 HN ALA 119 -7.783 -0.460 5.549 542 HA ALA 119 HA ALA 119 -9.319 1.695 4.370 543 1HB ALA 119 HB2 ALA 119 -9.178 -0.537 6.593 544 2HB ALA 119 HB3 ALA 119 -10.679 0.532 6.499 545 3HB ALA 119 HB1 ALA 119 -10.215 -0.576 5.148 546 H SER 120 HN SER 120 -6.940 1.482 6.922 547 HA SER 120 HA SER 120 -8.148 3.815 8.274 548 1HB SER 120 HB1 SER 120 -7.180 1.993 9.700 549 2HB SER 120 HB2 SER 120 -5.575 2.322 8.950 550 HG SER 120 HG1 SER 120 -6.132 4.607 9.626 551 H LEU 121 HN LEU 121 -6.012 2.933 5.717 552 HA LEU 121 HA LEU 121 -4.580 5.537 5.888 553 1HB LEU 121 HB1 LEU 121 -4.022 3.191 3.998 554 2HB LEU 121 HB2 LEU 121 -3.029 4.558 4.242 555 HG LEU 121 HG LEU 121 -1.872 3.050 5.603 556 1HD1 LEU 121 HD21 LEU 121 -2.966 4.924 7.129 557 2HD1 LEU 121 HD22 LEU 121 -4.005 3.629 7.714 558 3HD1 LEU 121 HD23 LEU 121 -2.213 3.439 7.918 559 1HD2 LEU 121 HD11 LEU 121 -4.593 1.733 5.909 560 2HD2 LEU 121 HD12 LEU 121 -3.012 1.019 5.413 561 3HD2 LEU 121 HD13 LEU 121 -3.345 1.420 7.160 562 H ILE 122 HN ILE 122 -7.110 4.097 4.813 563 HA ILE 122 HA ILE 122 -7.519 4.682 2.316 564 HB ILE 122 HB ILE 122 -9.307 3.864 4.086 565 1HG1 ILE 122 HG11 ILE 122 -11.016 4.173 2.113 566 2HG1 ILE 122 HG12 ILE 122 -9.438 4.490 1.226 567 1HG2 ILE 122 HG22 ILE 122 -9.962 6.051 4.960 568 2HG2 ILE 122 HG23 ILE 122 -10.440 6.569 3.280 569 3HG2 ILE 122 HG21 ILE 122 -11.325 5.247 4.062 570 1HD1 ILE 122 HD2 ILE 122 -8.546 2.386 2.331 571 2HD1 ILE 122 HD3 ILE 122 -10.355 1.967 2.384 572 3HD1 ILE 122 HD1 ILE 122 -9.533 2.332 0.847 573 H GLY 123 HN GLY 123 -8.169 6.257 0.964 574 1HA GLY 123 HA2 GLY 123 -8.157 8.337 0.088 575 2HA GLY 123 HA1 GLY 123 -8.580 8.922 1.737 576 H GLU 124 HN GLU 124 -5.566 7.155 0.786 577 HA GLU 124 HA GLU 124 -4.057 9.649 1.245 578 1HB GLU 124 HB1 GLU 124 -3.306 6.910 2.346 579 2HB GLU 124 HB2 GLU 124 -2.411 8.417 2.542 580 1HG GLU 124 HG1 GLU 124 -5.320 8.288 3.538 581 2HG GLU 124 HG2 GLU 124 -4.103 7.356 4.406 582 H GLU 125 HN GLU 125 -1.609 8.602 0.884 583 HA GLU 125 HA GLU 125 -1.728 7.251 -1.753 584 1HB GLU 125 HB1 GLU 125 0.236 9.372 -0.777 585 2HB GLU 125 HB2 GLU 125 0.707 8.168 -1.988 586 1HG GLU 125 HG1 GLU 125 -0.492 8.925 -3.708 587 2HG GLU 125 HG2 GLU 125 -1.848 9.455 -2.706 588 H LEU 126 HN LEU 126 -0.781 5.266 -1.597 589 HA LEU 126 HA LEU 126 1.308 5.053 0.335 590 1HB LEU 126 HB1 LEU 126 -0.728 3.055 -0.755 591 2HB LEU 126 HB2 LEU 126 0.790 2.414 -0.176 592 HG LEU 126 HG LEU 126 0.063 4.173 1.898 593 1HD1 LEU 126 HD23 LEU 126 -2.498 3.146 0.923 594 2HD1 LEU 126 HD21 LEU 126 -2.125 3.738 2.601 595 3HD1 LEU 126 HD22 LEU 126 -1.885 4.855 1.257 596 1HD2 LEU 126 HD13 LEU 126 -0.507 1.140 1.580 597 2HD2 LEU 126 HD11 LEU 126 0.999 1.877 2.251 598 3HD2 LEU 126 HD12 LEU 126 -0.595 2.028 3.131 599 H GLN 127 HN GLN 127 3.016 3.390 -0.091 600 HA GLN 127 HA GLN 127 3.690 3.241 -2.934 601 1HB GLN 127 HB1 GLN 127 4.824 5.390 -1.873 602 2HB GLN 127 HB2 GLN 127 5.789 4.237 -0.957 603 1HG GLN 127 HG1 GLN 127 5.975 3.326 -3.690 604 2HG GLN 127 HG2 GLN 127 5.975 5.164 -3.788 605 1HE2 GLN 127 HE21 GLN 127 9.336 3.514 -2.389 606 2HE2 GLN 127 HE22 GLN 127 8.015 2.505 -2.883 607 H VAL 128 HN VAL 128 5.277 1.546 -3.289 608 HA VAL 128 HA VAL 128 5.535 -0.228 -0.923 609 HB VAL 128 HB VAL 128 5.153 -0.868 -3.849 610 1HG1 VAL 128 HG13 VAL 128 7.161 -2.187 -3.066 611 2HG1 VAL 128 HG11 VAL 128 6.141 -2.827 -1.689 612 3HG1 VAL 128 HG12 VAL 128 5.733 -3.207 -3.391 613 1HG2 VAL 128 HG21 VAL 128 3.124 -0.813 -2.418 614 2HG2 VAL 128 HG22 VAL 128 3.513 -2.460 -3.030 615 3HG2 VAL 128 HG23 VAL 128 3.875 -2.019 -1.295 616 H ASP 129 HN ASP 129 7.598 -1.038 -0.485 617 HA ASP 129 HA ASP 129 9.723 0.061 -2.172 618 1HB ASP 129 HB1 ASP 129 9.178 1.195 0.363 619 2HB ASP 129 HB2 ASP 129 10.488 -0.011 0.709 620 H PHE 130 HN PHE 130 11.928 -1.049 -0.918 621 HA PHE 130 HA PHE 130 11.269 -3.853 -1.346 622 1HB PHE 130 HB1 PHE 130 14.011 -2.572 -0.993 623 2HB PHE 130 HB2 PHE 130 13.633 -4.187 -1.653 624 HD1 PHE 130 HD2 PHE 130 12.403 -4.444 -3.816 625 HD2 PHE 130 HD1 PHE 130 13.700 -0.601 -2.438 626 HE1 PHE 130 HE2 PHE 130 12.122 -3.532 -6.068 627 HE2 PHE 130 HE1 PHE 130 13.419 0.287 -4.700 628 HZ PHE 130 HZ PHE 130 12.641 -1.169 -6.524 629 H LEU 131 HN LEU 131 11.290 -5.235 0.171 630 HA LEU 131 HA LEU 131 10.933 -5.996 2.181 631 1HB LEU 131 HB1 LEU 131 13.243 -6.508 3.278 632 2HB LEU 131 HB2 LEU 131 12.596 -7.282 1.788 633 HG LEU 131 HG LEU 131 13.715 -5.416 0.403 634 1HD1 LEU 131 HD22 LEU 131 15.564 -5.561 2.860 635 2HD1 LEU 131 HD23 LEU 131 15.943 -4.799 1.257 636 3HD1 LEU 131 HD21 LEU 131 14.660 -4.105 2.313 637 1HD2 LEU 131 HD12 LEU 131 13.994 -7.747 0.084 638 2HD2 LEU 131 HD13 LEU 131 15.544 -6.833 -0.061 639 3HD2 LEU 131 HD11 LEU 131 15.207 -7.816 1.424 640 H ASP 132 HN ASP 132 12.864 -3.338 2.720 641 HA ASP 132 HA ASP 132 12.404 -3.266 5.634 642 1HB ASP 132 HB1 ASP 132 14.710 -2.448 4.658 643 2HB ASP 132 HB2 ASP 132 13.786 -1.015 4.059 No H/Q in entry = 643 Start of MODEL 8 1 1H SER 55 HT3 SER 55 -13.649 7.815 2.898 2 2H SER 55 HT2 SER 55 -11.989 7.771 3.150 3 3H SER 55 HT1 SER 55 -12.682 9.104 2.337 4 HA SER 55 HA SER 55 -13.277 7.755 0.491 5 1HB SER 55 HB1 SER 55 -10.851 8.692 0.782 6 2HB SER 55 HB2 SER 55 -10.392 6.998 1.199 7 HG SER 55 HG1 SER 55 -10.183 7.470 -1.020 8 H ASN 56 HN ASN 56 -12.349 5.590 -0.600 9 HA ASN 56 HA ASN 56 -12.302 3.380 1.314 10 1HB ASN 56 HB1 ASN 56 -14.716 3.661 0.705 11 2HB ASN 56 HB2 ASN 56 -14.260 3.348 -1.015 12 1HD2 ASN 56 HD21 ASN 56 -14.322 -0.182 -0.298 13 2HD2 ASN 56 HD22 ASN 56 -14.453 1.100 -1.452 14 H THR 57 HN THR 57 -10.608 5.072 -0.635 15 HA THR 57 HA THR 57 -9.562 2.767 -2.126 16 HB THR 57 HB THR 57 -9.317 4.013 -4.173 17 HG1 THR 57 HG1 THR 57 -10.587 6.172 -3.955 18 1HG2 THR 57 HG21 THR 57 -11.710 3.112 -3.723 19 2HG2 THR 57 HG22 THR 57 -12.146 4.771 -3.173 20 3HG2 THR 57 HG23 THR 57 -11.605 4.493 -4.880 21 H ILE 58 HN ILE 58 -7.289 2.973 -2.572 22 HA ILE 58 HA ILE 58 -6.039 5.391 -1.621 23 HB ILE 58 HB ILE 58 -4.481 2.995 -0.749 24 1HG1 ILE 58 HG11 ILE 58 -5.723 3.015 1.531 25 2HG1 ILE 58 HG12 ILE 58 -7.130 3.553 0.605 26 1HG2 ILE 58 HG23 ILE 58 -5.010 5.748 0.459 27 2HG2 ILE 58 HG21 ILE 58 -4.143 4.455 1.315 28 3HG2 ILE 58 HG22 ILE 58 -3.487 5.069 -0.250 29 1HD1 ILE 58 HD3 ILE 58 -5.423 1.060 -0.105 30 2HD1 ILE 58 HD1 ILE 58 -6.847 1.007 0.984 31 3HD1 ILE 58 HD2 ILE 58 -7.067 1.479 -0.744 32 H ARG 59 HN ARG 59 -3.576 5.339 -2.402 33 HA ARG 59 HA ARG 59 -3.667 3.925 -4.973 34 1HB ARG 59 HB1 ARG 59 -2.145 6.338 -3.901 35 2HB ARG 59 HB2 ARG 59 -1.726 5.521 -5.431 36 1HG ARG 59 HG1 ARG 59 -3.027 7.207 -6.185 37 2HG ARG 59 HG2 ARG 59 -4.151 5.852 -6.210 38 1HD ARG 59 HD1 ARG 59 -5.500 7.534 -5.271 39 2HD ARG 59 HD2 ARG 59 -4.847 6.782 -3.771 40 HE ARG 59 HE ARG 59 -3.531 9.194 -5.104 41 1HH1 ARG 59 HH22 ARG 59 -5.917 8.193 -2.812 42 2HH1 ARG 59 HH21 ARG 59 -6.039 9.775 -2.146 43 1HH2 ARG 59 HH12 ARG 59 -3.026 10.915 -3.510 44 2HH2 ARG 59 HH11 ARG 59 -4.435 11.354 -2.627 45 H VAL 60 HN VAL 60 -1.579 3.045 -5.706 46 HA VAL 60 HA VAL 60 0.214 2.351 -3.472 47 HB VAL 60 HB VAL 60 -0.592 0.194 -5.429 48 1HG1 VAL 60 HG12 VAL 60 1.547 -0.069 -4.178 49 2HG1 VAL 60 HG13 VAL 60 0.637 0.042 -2.629 50 3HG1 VAL 60 HG11 VAL 60 0.313 -1.326 -3.769 51 1HG2 VAL 60 HG23 VAL 60 -1.913 0.688 -2.710 52 2HG2 VAL 60 HG21 VAL 60 -2.700 0.752 -4.336 53 3HG2 VAL 60 HG22 VAL 60 -2.052 -0.811 -3.707 54 H PHE 61 HN PHE 61 2.122 3.105 -4.106 55 HA PHE 61 HA PHE 61 2.658 3.295 -6.982 56 1HB PHE 61 HB1 PHE 61 3.703 4.632 -4.471 57 2HB PHE 61 HB2 PHE 61 4.723 4.624 -6.012 58 HD1 PHE 61 HD1 PHE 61 1.118 5.121 -4.890 59 HD2 PHE 61 HD2 PHE 61 4.372 6.573 -7.263 60 HE1 PHE 61 HE1 PHE 61 -0.169 7.103 -5.462 61 HE2 PHE 61 HE2 PHE 61 3.122 8.631 -7.685 62 HZ PHE 61 HZ PHE 61 0.890 8.946 -6.679 63 H LEU 62 HN LEU 62 4.592 2.361 -7.980 64 HA LEU 62 HA LEU 62 5.345 0.019 -6.381 65 1HB LEU 62 HB1 LEU 62 6.055 0.824 -9.220 66 2HB LEU 62 HB2 LEU 62 6.710 -0.575 -8.460 67 HG LEU 62 HG LEU 62 4.569 -1.003 -9.862 68 1HD1 LEU 62 HD13 LEU 62 5.837 -2.711 -8.619 69 2HD1 LEU 62 HD11 LEU 62 4.926 -2.289 -7.113 70 3HD1 LEU 62 HD12 LEU 62 4.052 -2.971 -8.529 71 1HD2 LEU 62 HD23 LEU 62 3.052 0.609 -8.632 72 2HD2 LEU 62 HD21 LEU 62 2.484 -1.103 -8.579 73 3HD2 LEU 62 HD22 LEU 62 3.264 -0.400 -7.136 74 HA PRO 63 HA PRO 63 9.243 1.681 -5.499 75 1HB PRO 63 HB1 PRO 63 10.485 -0.939 -6.225 76 2HB PRO 63 HB2 PRO 63 10.650 -0.017 -4.765 77 1HG PRO 63 HG1 PRO 63 9.076 -2.312 -5.250 78 2HG PRO 63 HG2 PRO 63 8.781 -1.259 -3.916 79 1HD PRO 63 HD1 PRO 63 7.031 -1.642 -6.125 80 2HD PRO 63 HD2 PRO 63 6.853 -0.477 -4.889 81 H ASN 64 HN ASN 64 8.690 2.780 -7.708 82 HA ASN 64 HA ASN 64 11.060 2.850 -9.078 83 1HB ASN 64 HB1 ASN 64 9.871 0.621 -10.090 84 2HB ASN 64 HB2 ASN 64 8.913 1.772 -11.004 85 1HD2 ASN 64 HD21 ASN 64 12.897 0.967 -11.830 86 2HD2 ASN 64 HD22 ASN 64 12.020 0.212 -10.539 87 H LYS 65 HN LYS 65 8.259 3.234 -11.161 88 HA LYS 65 HA LYS 65 7.736 5.890 -9.969 89 1HB LYS 65 HB1 LYS 65 7.343 5.303 -12.921 90 2HB LYS 65 HB2 LYS 65 7.633 6.868 -12.110 91 1HG LYS 65 HG1 LYS 65 9.707 4.585 -12.417 92 2HG LYS 65 HG2 LYS 65 9.516 5.877 -13.589 93 1HD LYS 65 HD1 LYS 65 10.429 7.546 -12.252 94 2HD LYS 65 HD2 LYS 65 9.915 6.793 -10.731 95 1HE LYS 65 HE1 LYS 65 12.384 6.698 -10.979 96 2HE LYS 65 HE2 LYS 65 11.655 5.043 -10.891 97 1HZ LYS 65 HZ1 LYS 65 12.262 6.417 -13.438 98 2HZ LYS 65 HZ2 LYS 65 13.346 5.377 -12.632 99 3HZ LYS 65 HZ3 LYS 65 11.859 4.782 -13.175 100 H GLN 66 HN GLN 66 6.467 2.812 -10.560 101 HA GLN 66 HA GLN 66 4.172 3.574 -11.738 102 1HB GLN 66 HB1 GLN 66 4.793 0.957 -10.496 103 2HB GLN 66 HB2 GLN 66 3.331 1.290 -11.383 104 1HG GLN 66 HG1 GLN 66 4.544 0.412 -13.068 105 2HG GLN 66 HG2 GLN 66 4.786 2.149 -13.355 106 1HE2 GLN 66 HE21 GLN 66 7.914 -0.242 -12.016 107 2HE2 GLN 66 HE22 GLN 66 6.300 -0.849 -12.138 108 H ARG 67 HN ARG 67 1.938 2.963 -11.056 109 HA ARG 67 HA ARG 67 1.372 3.356 -8.254 110 1HB ARG 67 HB1 ARG 67 -0.025 5.377 -8.703 111 2HB ARG 67 HB2 ARG 67 1.724 5.654 -8.664 112 1HG ARG 67 HG1 ARG 67 0.615 5.022 -11.392 113 2HG ARG 67 HG2 ARG 67 -0.016 6.499 -10.659 114 1HD ARG 67 HD1 ARG 67 2.328 7.340 -10.263 115 2HD ARG 67 HD2 ARG 67 2.968 5.842 -11.051 116 HE ARG 67 HE ARG 67 1.054 7.679 -12.526 117 1HH1 ARG 67 HH22 ARG 67 4.404 6.867 -11.920 118 2HH1 ARG 67 HH21 ARG 67 4.941 7.915 -13.188 119 1HH2 ARG 67 HH12 ARG 67 1.766 8.318 -14.618 120 2HH2 ARG 67 HH11 ARG 67 3.445 8.702 -14.753 121 H THR 68 HN THR 68 -1.034 3.418 -7.961 122 HA THR 68 HA THR 68 -2.725 2.854 -10.105 123 HB THR 68 HB THR 68 -1.565 0.593 -10.115 124 HG1 THR 68 HG1 THR 68 -3.567 -0.541 -9.842 125 1HG2 THR 68 HG22 THR 68 -1.074 0.452 -7.653 126 2HG2 THR 68 HG23 THR 68 -2.844 0.187 -7.360 127 3HG2 THR 68 HG21 THR 68 -1.894 -0.996 -8.335 128 H VAL 69 HN VAL 69 -4.947 2.023 -9.087 129 HA VAL 69 HA VAL 69 -5.082 3.144 -6.347 130 HB VAL 69 HB VAL 69 -6.194 4.764 -7.596 131 1HG1 VAL 69 HG13 VAL 69 -6.471 3.606 -9.768 132 2HG1 VAL 69 HG11 VAL 69 -7.733 2.530 -9.040 133 3HG1 VAL 69 HG12 VAL 69 -8.028 4.302 -9.197 134 1HG2 VAL 69 HG23 VAL 69 -7.278 4.088 -5.524 135 2HG2 VAL 69 HG21 VAL 69 -8.379 4.803 -6.757 136 3HG2 VAL 69 HG22 VAL 69 -8.393 3.026 -6.485 137 H VAL 70 HN VAL 70 -6.272 1.960 -4.904 138 HA VAL 70 HA VAL 70 -7.380 -0.588 -5.950 139 HB VAL 70 HB VAL 70 -6.640 -1.693 -3.872 140 1HG1 VAL 70 HG13 VAL 70 -5.284 -1.964 -5.926 141 2HG1 VAL 70 HG11 VAL 70 -4.312 -0.517 -5.476 142 3HG1 VAL 70 HG12 VAL 70 -4.283 -1.992 -4.422 143 1HG2 VAL 70 HG23 VAL 70 -6.381 0.271 -2.392 144 2HG2 VAL 70 HG21 VAL 70 -4.889 -0.730 -2.460 145 3HG2 VAL 70 HG22 VAL 70 -4.960 0.826 -3.372 146 H ASN 71 HN ASN 71 -9.003 -1.513 -4.428 147 HA ASN 71 HA ASN 71 -10.427 0.680 -3.025 148 1HB ASN 71 HB1 ASN 71 -11.583 -1.694 -4.594 149 2HB ASN 71 HB2 ASN 71 -12.532 -0.674 -3.436 150 1HD2 ASN 71 HD21 ASN 71 -11.380 0.929 -7.083 151 2HD2 ASN 71 HD22 ASN 71 -10.603 -0.500 -6.488 152 H VAL 72 HN VAL 72 -11.304 0.078 -0.983 153 HA VAL 72 HA VAL 72 -10.081 -2.411 0.062 154 HB VAL 72 HB VAL 72 -11.010 0.099 1.475 155 1HG1 VAL 72 HG11 VAL 72 -9.973 -2.572 2.583 156 2HG1 VAL 72 HG12 VAL 72 -9.929 -1.023 3.495 157 3HG1 VAL 72 HG13 VAL 72 -11.514 -1.690 2.998 158 1HG2 VAL 72 HG23 VAL 72 -8.227 -1.157 1.110 159 2HG2 VAL 72 HG21 VAL 72 -8.818 0.374 0.376 160 3HG2 VAL 72 HG22 VAL 72 -8.620 0.230 2.181 161 H ARG 73 HN ARG 73 -11.390 -3.815 1.347 162 HA ARG 73 HA ARG 73 -14.282 -3.285 1.179 163 1HB ARG 73 HB1 ARG 73 -12.930 -5.363 -0.259 164 2HB ARG 73 HB2 ARG 73 -13.700 -6.159 1.107 165 1HG ARG 73 HG1 ARG 73 -15.070 -4.171 -0.873 166 2HG ARG 73 HG2 ARG 73 -15.011 -5.927 -1.142 167 1HD ARG 73 HD1 ARG 73 -16.330 -6.358 0.917 168 2HD ARG 73 HD2 ARG 73 -16.368 -4.567 1.272 169 HE ARG 73 HE ARG 73 -17.457 -5.660 -1.333 170 1HH1 ARG 73 HH22 ARG 73 -18.243 -5.396 1.984 171 2HH1 ARG 73 HH21 ARG 73 -19.928 -5.151 1.665 172 1HH2 ARG 73 HH12 ARG 73 -19.589 -4.844 -1.813 173 2HH2 ARG 73 HH11 ARG 73 -20.703 -4.969 -0.499 174 H ASN 74 HN ASN 74 -15.095 -5.514 2.676 175 HA ASN 74 HA ASN 74 -14.210 -4.553 5.215 176 1HB ASN 74 HB1 ASN 74 -15.719 -6.581 6.036 177 2HB ASN 74 HB2 ASN 74 -16.373 -5.012 5.536 178 1HD2 ASN 74 HD21 ASN 74 -16.778 -8.352 3.052 179 2HD2 ASN 74 HD22 ASN 74 -15.511 -8.297 4.229 180 H GLY 75 HN GLY 75 -12.182 -5.082 5.714 181 1HA GLY 75 HA2 GLY 75 -10.891 -6.435 6.900 182 2HA GLY 75 HA1 GLY 75 -11.735 -7.912 6.307 183 H MET 76 HN MET 76 -10.527 -5.396 4.048 184 HA MET 76 HA MET 76 -8.664 -7.281 3.060 185 1HB MET 76 HB1 MET 76 -8.953 -4.367 2.239 186 2HB MET 76 HB2 MET 76 -7.930 -5.381 1.549 187 1HG MET 76 HG1 MET 76 -9.608 -7.167 0.931 188 2HG MET 76 HG2 MET 76 -10.864 -6.236 1.583 189 1HE MET 76 HE2 MET 76 -11.727 -6.774 -1.023 190 2HE MET 76 HE3 MET 76 -11.110 -5.959 -2.505 191 3HE MET 76 HE1 MET 76 -10.188 -7.299 -1.744 192 H SER 77 HN SER 77 -6.440 -7.154 3.062 193 HA SER 77 HA SER 77 -5.229 -5.388 5.172 194 1HB SER 77 HB1 SER 77 -4.499 -8.218 4.406 195 2HB SER 77 HB2 SER 77 -3.728 -7.233 5.613 196 HG SER 77 HG1 SER 77 -6.512 -7.829 5.746 197 H LEU 78 HN LEU 78 -3.154 -4.841 4.793 198 HA LEU 78 HA LEU 78 -2.485 -3.956 2.448 199 1HB LEU 78 HB1 LEU 78 -0.865 -4.848 4.801 200 2HB LEU 78 HB2 LEU 78 0.065 -4.563 3.300 201 HG LEU 78 HG LEU 78 -0.026 -2.576 4.758 202 1HD1 LEU 78 HD22 LEU 78 0.028 -2.718 2.031 203 2HD1 LEU 78 HD23 LEU 78 -1.553 -1.943 2.231 204 3HD1 LEU 78 HD21 LEU 78 -0.258 -1.052 2.938 205 1HD2 LEU 78 HD13 LEU 78 -2.893 -2.520 3.787 206 2HD2 LEU 78 HD11 LEU 78 -2.257 -2.395 5.456 207 3HD2 LEU 78 HD12 LEU 78 -1.938 -1.056 4.293 208 H HIS 79 HN HSP 79 -1.041 -6.985 3.519 209 HA HIS 79 HA HSP 79 0.016 -7.530 1.091 210 1HB HIS 79 HB1 HSP 79 -0.332 -9.068 3.651 211 2HB HIS 79 HB2 HSP 79 -0.514 -10.166 2.324 212 HD1 HIS 79 HD1 HSP 79 1.664 -8.697 0.431 213 HD2 HIS 79 HD2 HSP 79 2.270 -9.894 4.391 214 HE1 HIS 79 HE1 HSP 79 4.176 -8.708 0.933 215 HE2 HIS 79 HE2 HSP 79 4.464 -9.761 3.139 216 H ASP 80 HN ASP 80 -3.294 -7.929 1.960 217 HA ASP 80 HA ASP 80 -3.695 -9.814 -0.305 218 1HB ASP 80 HB1 ASP 80 -5.379 -9.005 2.135 219 2HB ASP 80 HB2 ASP 80 -6.085 -9.858 0.728 220 H CYS 81 HN CYS 81 -4.002 -6.581 0.865 221 HA CYS 81 HA CYS 81 -5.971 -5.889 -1.153 222 1HB CYS 81 HB1 CYS 81 -5.623 -5.195 1.484 223 2HB CYS 81 HB2 CYS 81 -4.680 -3.954 0.814 224 HG1 CYS 81 HG1 CYS 81 -6.246 -3.196 -1.226 225 H LEU 82 HN LEU 82 -2.544 -5.652 -0.570 226 HA LEU 82 HA LEU 82 -2.133 -3.911 -2.882 227 1HB LEU 82 HB1 LEU 82 -0.315 -5.568 -0.999 228 2HB LEU 82 HB2 LEU 82 0.359 -4.727 -2.285 229 HG LEU 82 HG LEU 82 -0.733 -3.929 0.362 230 1HD1 LEU 82 HD13 LEU 82 1.246 -2.753 -1.716 231 2HD1 LEU 82 HD11 LEU 82 0.507 -1.557 -0.633 232 3HD1 LEU 82 HD12 LEU 82 1.468 -2.862 0.113 233 1HD2 LEU 82 HD21 LEU 82 -1.797 -2.278 -1.843 234 2HD2 LEU 82 HD22 LEU 82 -2.596 -3.093 -0.462 235 3HD2 LEU 82 HD23 LEU 82 -1.546 -1.687 -0.112 236 H MET 83 HN MET 83 -2.238 -7.191 -1.997 237 HA MET 83 HA MET 83 -0.984 -8.279 -4.278 238 1HB MET 83 HB1 MET 83 -1.729 -9.475 -2.107 239 2HB MET 83 HB2 MET 83 -3.385 -9.102 -2.427 240 1HG MET 83 HG1 MET 83 -3.799 -10.586 -4.031 241 2HG MET 83 HG2 MET 83 -2.120 -10.654 -4.597 242 1HE MET 83 HE1 MET 83 -3.972 -13.310 -4.133 243 2HE MET 83 HE2 MET 83 -2.269 -13.401 -4.691 244 3HE MET 83 HE3 MET 83 -2.820 -14.417 -3.319 245 H LYS 84 HN LYS 84 -3.948 -6.668 -3.851 246 HA LYS 84 HA LYS 84 -5.037 -7.096 -6.432 247 1HB LYS 84 HB1 LYS 84 -4.838 -4.642 -4.576 248 2HB LYS 84 HB2 LYS 84 -5.584 -4.491 -6.207 249 1HG LYS 84 HG1 LYS 84 -7.238 -4.807 -4.407 250 2HG LYS 84 HG2 LYS 84 -7.276 -5.957 -5.760 251 1HD LYS 84 HD1 LYS 84 -6.255 -7.731 -4.425 252 2HD LYS 84 HD2 LYS 84 -5.831 -6.612 -3.150 253 1HE LYS 84 HE1 LYS 84 -8.210 -6.361 -2.477 254 2HE LYS 84 HE2 LYS 84 -8.770 -7.225 -3.969 255 1HZ LYS 84 HZ2 LYS 84 -6.969 -8.454 -1.963 256 2HZ LYS 84 HZ3 LYS 84 -8.674 -8.547 -1.881 257 3HZ LYS 84 HZ1 LYS 84 -7.831 -9.204 -3.210 258 H ALA 85 HN ALA 85 -3.279 -4.433 -5.291 259 HA ALA 85 HA ALA 85 -2.745 -3.190 -7.664 260 1HB ALA 85 HB3 ALA 85 -2.158 -2.387 -5.173 261 2HB ALA 85 HB1 ALA 85 -0.714 -3.487 -5.244 262 3HB ALA 85 HB2 ALA 85 -0.769 -2.057 -6.306 263 H LEU 86 HN LEU 86 -0.512 -5.472 -6.050 264 HA LEU 86 HA LEU 86 1.496 -5.160 -8.160 265 1HB LEU 86 HB1 LEU 86 1.136 -7.230 -5.920 266 2HB LEU 86 HB2 LEU 86 2.559 -6.983 -6.709 267 HG LEU 86 HG LEU 86 1.089 -4.626 -5.280 268 1HD1 LEU 86 HD23 LEU 86 2.626 -6.668 -3.800 269 2HD1 LEU 86 HD21 LEU 86 2.026 -5.031 -3.192 270 3HD1 LEU 86 HD22 LEU 86 0.873 -6.269 -3.773 271 1HD2 LEU 86 HD12 LEU 86 2.919 -3.928 -6.651 272 2HD2 LEU 86 HD13 LEU 86 3.160 -3.569 -4.916 273 3HD2 LEU 86 HD11 LEU 86 4.064 -4.958 -5.687 274 H LYS 87 HN LYS 87 -0.859 -7.506 -7.065 275 HA LYS 87 HA LYS 87 -0.492 -9.406 -8.849 276 1HB LYS 87 HB1 LYS 87 -2.911 -8.241 -7.583 277 2HB LYS 87 HB2 LYS 87 -3.391 -8.469 -9.150 278 1HG LYS 87 HG1 LYS 87 -2.007 -10.903 -8.024 279 2HG LYS 87 HG2 LYS 87 -3.581 -10.479 -7.350 280 1HD LYS 87 HD1 LYS 87 -4.543 -10.447 -9.719 281 2HD LYS 87 HD2 LYS 87 -2.963 -10.866 -10.360 282 1HE LYS 87 HE1 LYS 87 -3.008 -13.067 -9.094 283 2HE LYS 87 HE2 LYS 87 -4.634 -12.628 -8.426 284 1HZ LYS 87 HZ2 LYS 87 -3.935 -12.895 -11.298 285 2HZ LYS 87 HZ3 LYS 87 -4.783 -14.028 -10.358 286 3HZ LYS 87 HZ1 LYS 87 -5.458 -12.500 -10.667 287 H VAL 88 HN VAL 88 -2.437 -6.580 -9.584 288 HA VAL 88 HA VAL 88 -2.837 -6.798 -12.230 289 HB VAL 88 HB VAL 88 -1.842 -4.231 -10.822 290 1HG1 VAL 88 HG13 VAL 88 -3.437 -4.418 -13.394 291 2HG1 VAL 88 HG11 VAL 88 -3.093 -2.923 -12.424 292 3HG1 VAL 88 HG12 VAL 88 -1.733 -3.804 -13.153 293 1HG2 VAL 88 HG23 VAL 88 -4.128 -5.661 -10.133 294 2HG2 VAL 88 HG21 VAL 88 -3.777 -3.916 -9.806 295 3HG2 VAL 88 HG22 VAL 88 -4.741 -4.402 -11.253 296 H ARG 89 HN ARG 89 0.162 -5.655 -10.701 297 HA ARG 89 HA ARG 89 1.457 -5.173 -13.169 298 1HB ARG 89 HB1 ARG 89 2.427 -5.416 -10.255 299 2HB ARG 89 HB2 ARG 89 3.333 -4.652 -11.512 300 1HG ARG 89 HG1 ARG 89 0.563 -3.558 -11.373 301 2HG ARG 89 HG2 ARG 89 1.138 -3.658 -9.781 302 1HD ARG 89 HD1 ARG 89 3.045 -2.162 -10.261 303 2HD ARG 89 HD2 ARG 89 2.861 -2.385 -12.031 304 HE ARG 89 HE ARG 89 0.883 -0.872 -10.273 305 1HH1 ARG 89 HH22 ARG 89 1.279 -2.510 -13.267 306 2HH1 ARG 89 HH21 ARG 89 0.068 -1.569 -14.071 307 1HH2 ARG 89 HH12 ARG 89 -0.175 0.867 -11.577 308 2HH2 ARG 89 HH11 ARG 89 -0.873 0.254 -13.017 309 H GLY 90 HN GLY 90 1.497 -7.737 -10.702 310 1HA GLY 90 HA2 GLY 90 2.062 -9.944 -11.194 311 2HA GLY 90 HA1 GLY 90 3.097 -9.422 -12.563 312 H LEU 91 HN LEU 91 2.871 -7.971 -9.285 313 HA LEU 91 HA LEU 91 5.792 -8.452 -9.052 314 1HB LEU 91 HB1 LEU 91 3.891 -6.286 -8.052 315 2HB LEU 91 HB2 LEU 91 5.439 -6.556 -7.254 316 HG LEU 91 HG LEU 91 4.883 -4.929 -9.500 317 1HD1 LEU 91 HD22 LEU 91 6.775 -4.615 -7.856 318 2HD1 LEU 91 HD23 LEU 91 7.655 -5.987 -8.640 319 3HD1 LEU 91 HD21 LEU 91 7.312 -4.481 -9.572 320 1HD2 LEU 91 HD12 LEU 91 6.425 -7.308 -10.577 321 2HD2 LEU 91 HD13 LEU 91 4.775 -6.678 -11.090 322 3HD2 LEU 91 HD11 LEU 91 6.242 -5.708 -11.349 323 H GLN 92 HN GLN 92 6.568 -8.618 -6.751 324 HA GLN 92 HA GLN 92 4.684 -10.292 -5.196 325 1HB GLN 92 HB1 GLN 92 7.728 -10.224 -5.316 326 2HB GLN 92 HB2 GLN 92 6.843 -11.039 -4.051 327 1HG GLN 92 HG1 GLN 92 5.607 -12.128 -6.334 328 2HG GLN 92 HG2 GLN 92 7.118 -11.659 -7.052 329 1HE2 GLN 92 HE21 GLN 92 7.438 -14.861 -4.547 330 2HE2 GLN 92 HE22 GLN 92 6.060 -13.949 -4.358 331 HA PRO 93 HA PRO 93 5.437 -6.984 -2.409 332 1HB PRO 93 HB1 PRO 93 3.468 -7.690 -0.601 333 2HB PRO 93 HB2 PRO 93 3.231 -6.663 -1.960 334 1HG PRO 93 HG1 PRO 93 2.414 -9.491 -1.556 335 2HG PRO 93 HG2 PRO 93 1.718 -8.314 -2.644 336 1HD PRO 93 HD1 PRO 93 3.355 -10.427 -3.419 337 2HD PRO 93 HD2 PRO 93 3.115 -8.988 -4.374 338 H GLU 94 HN GLU 94 5.609 -10.380 -1.921 339 HA GLU 94 HA GLU 94 5.786 -10.480 0.812 340 1HB GLU 94 HB1 GLU 94 7.320 -12.359 -1.066 341 2HB GLU 94 HB2 GLU 94 6.931 -12.675 0.632 342 1HG GLU 94 HG1 GLU 94 5.171 -13.843 -0.226 343 2HG GLU 94 HG2 GLU 94 4.372 -12.219 -0.224 344 H CYS 95 HN CYS 95 8.192 -9.328 -1.468 345 HA CYS 95 HA CYS 95 10.296 -9.587 0.612 346 1HB CYS 95 HB1 CYS 95 10.406 -9.280 -2.426 347 2HB CYS 95 HB2 CYS 95 11.826 -9.244 -1.356 348 HG1 CYS 95 HG1 CYS 95 11.321 -11.623 -0.238 349 H CYS 96 HN CYS 96 8.074 -7.416 0.025 350 HA CYS 96 HA CYS 96 9.972 -5.151 -0.189 351 1HB CYS 96 HB1 CYS 96 7.019 -5.369 -0.944 352 2HB CYS 96 HB2 CYS 96 8.021 -3.932 -1.101 353 HG1 CYS 96 HG1 CYS 96 9.889 -4.979 -2.627 354 H ALA 97 HN ALA 97 8.891 -3.098 0.695 355 HA ALA 97 HA ALA 97 7.471 -3.670 3.211 356 1HB ALA 97 HB3 ALA 97 9.779 -2.912 3.889 357 2HB ALA 97 HB1 ALA 97 9.516 -1.410 2.887 358 3HB ALA 97 HB2 ALA 97 8.480 -1.699 4.291 359 H VAL 98 HN VAL 98 5.577 -2.512 3.287 360 HA VAL 98 HA VAL 98 5.169 -0.606 1.089 361 HB VAL 98 HB VAL 98 3.527 -2.323 0.999 362 1HG1 VAL 98 HG12 VAL 98 3.600 -2.155 3.976 363 2HG1 VAL 98 HG13 VAL 98 2.020 -2.424 3.252 364 3HG1 VAL 98 HG11 VAL 98 3.381 -3.577 2.847 365 1HG2 VAL 98 HG23 VAL 98 2.707 0.107 0.865 366 2HG2 VAL 98 HG21 VAL 98 1.501 -1.151 1.204 367 3HG2 VAL 98 HG22 VAL 98 2.095 -0.161 2.580 368 H PHE 99 HN PHE 99 4.084 1.380 1.567 369 HA PHE 99 HA PHE 99 4.251 2.279 4.366 370 1HB PHE 99 HB1 PHE 99 5.616 3.562 1.898 371 2HB PHE 99 HB2 PHE 99 5.292 4.435 3.393 372 HD1 PHE 99 HD1 PHE 99 6.999 1.536 1.771 373 HD2 PHE 99 HD2 PHE 99 6.887 3.977 5.287 374 HE1 PHE 99 HE1 PHE 99 9.291 0.932 2.309 375 HE2 PHE 99 HE2 PHE 99 9.080 3.229 5.873 376 HZ PHE 99 HZ PHE 99 10.405 2.355 3.959 377 H ARG 100 HN ARG 100 3.255 4.407 4.594 378 HA ARG 100 HA ARG 100 1.450 5.341 2.350 379 1HB ARG 100 HB1 ARG 100 -0.095 5.173 3.673 380 2HB ARG 100 HB2 ARG 100 1.002 5.178 5.102 381 1HG ARG 100 HG1 ARG 100 1.548 7.520 4.876 382 2HG ARG 100 HG2 ARG 100 0.203 7.668 3.684 383 1HD ARG 100 HD1 ARG 100 -1.095 6.411 5.741 384 2HD ARG 100 HD2 ARG 100 0.322 6.887 6.669 385 HE ARG 100 HE ARG 100 -1.711 8.685 5.139 386 1HH1 ARG 100 HH22 ARG 100 1.358 8.701 6.755 387 2HH1 ARG 100 HH21 ARG 100 1.282 10.398 7.154 388 1HH2 ARG 100 HH12 ARG 100 -2.037 10.774 5.982 389 2HH2 ARG 100 HH11 ARG 100 -0.655 11.603 6.683 390 H LEU 101 HN LEU 101 2.109 7.250 1.549 391 HA LEU 101 HA LEU 101 4.851 7.757 1.919 392 1HB LEU 101 HB1 LEU 101 2.575 9.303 0.402 393 2HB LEU 101 HB2 LEU 101 4.259 9.809 0.274 394 HG LEU 101 HG LEU 101 4.818 7.449 -0.584 395 1HD1 LEU 101 HD22 LEU 101 1.848 7.162 -0.468 396 2HD1 LEU 101 HD23 LEU 101 2.814 6.337 -1.734 397 3HD1 LEU 101 HD21 LEU 101 3.167 6.020 0.013 398 1HD2 LEU 101 HD11 LEU 101 4.450 9.457 -2.171 399 2HD2 LEU 101 HD12 LEU 101 3.949 7.879 -2.891 400 3HD2 LEU 101 HD13 LEU 101 2.692 8.995 -2.252 401 H LEU 102 HN LEU 102 5.432 10.382 1.845 402 HA LEU 102 HA LEU 102 4.838 11.162 4.509 403 1HB LEU 102 HB1 LEU 102 6.306 13.188 3.641 404 2HB LEU 102 HB2 LEU 102 6.994 11.636 4.227 405 HG LEU 102 HG LEU 102 7.222 10.790 1.949 406 1HD1 LEU 102 HD22 LEU 102 5.250 12.061 0.947 407 2HD1 LEU 102 HD23 LEU 102 6.241 13.535 0.974 408 3HD1 LEU 102 HD21 LEU 102 6.784 12.114 -0.029 409 1HD2 LEU 102 HD11 LEU 102 9.089 12.038 2.926 410 2HD2 LEU 102 HD12 LEU 102 8.990 12.211 1.134 411 3HD2 LEU 102 HD13 LEU 102 8.450 13.566 2.207 412 H HIS 103 HN HSP 103 2.480 11.545 4.311 413 HA HIS 103 HA HSP 103 1.820 13.915 2.744 414 1HB HIS 103 HB1 HSP 103 0.144 12.044 4.445 415 2HB HIS 103 HB2 HSP 103 -0.483 13.563 3.712 416 HD1 HIS 103 HD1 HSP 103 -2.039 11.506 2.604 417 HD2 HIS 103 HD2 HSP 103 1.793 12.269 1.028 418 HE1 HIS 103 HE1 HSP 103 -2.031 10.743 0.194 419 HE2 HIS 103 HE2 HSP 103 0.258 11.255 -0.748 420 H GLU 104 HN GLU 104 3.097 13.122 5.854 421 HA GLU 104 HA GLU 104 2.923 15.960 6.533 422 1HB GLU 104 HB1 GLU 104 2.095 15.933 8.626 423 2HB GLU 104 HB2 GLU 104 0.870 15.384 7.478 424 1HG GLU 104 HG1 GLU 104 2.583 13.520 9.274 425 2HG GLU 104 HG2 GLU 104 0.918 14.085 9.615 426 H HIS 105 HN HSP 105 5.024 14.141 5.594 427 HA HIS 105 HA HSP 105 6.744 14.504 7.921 428 1HB HIS 105 HB1 HSP 105 7.668 12.157 6.406 429 2HB HIS 105 HB2 HSP 105 7.575 12.408 8.158 430 HD1 HIS 105 HD1 HSP 105 4.771 12.207 8.890 431 HD2 HIS 105 HD2 HSP 105 6.268 10.017 5.650 432 HE1 HIS 105 HE1 HSP 105 3.233 10.219 8.548 433 HE2 HIS 105 HE2 HSP 105 4.167 8.936 6.581 434 H LYS 106 HN LYS 106 9.138 14.488 7.039 435 HA LYS 106 HA LYS 106 9.186 14.851 4.122 436 1HB LYS 106 HB1 LYS 106 9.272 17.020 5.412 437 2HB LYS 106 HB2 LYS 106 10.619 16.375 6.371 438 1HG LYS 106 HG1 LYS 106 11.572 17.780 4.733 439 2HG LYS 106 HG2 LYS 106 11.998 16.161 4.252 440 1HD LYS 106 HD1 LYS 106 11.286 17.512 2.270 441 2HD LYS 106 HD2 LYS 106 10.261 16.092 2.487 442 1HE LYS 106 HE1 LYS 106 9.371 18.716 3.804 443 2HE LYS 106 HE2 LYS 106 9.298 18.607 2.002 444 1HZ LYS 106 HZ3 LYS 106 8.073 16.647 3.860 445 2HZ LYS 106 HZ1 LYS 106 7.266 17.901 3.052 446 3HZ LYS 106 HZ2 LYS 106 7.989 16.649 2.164 447 H GLY 107 HN GLY 107 10.686 13.631 3.139 448 1HA GLY 107 HA2 GLY 107 12.826 12.869 2.974 449 2HA GLY 107 HA1 GLY 107 12.988 12.717 4.744 450 H LYS 108 HN LYS 108 10.685 11.221 5.475 451 HA LYS 108 HA LYS 108 11.606 8.674 4.325 452 1HB LYS 108 HB1 LYS 108 10.352 9.322 7.024 453 2HB LYS 108 HB2 LYS 108 10.925 7.702 6.452 454 1HG LYS 108 HG1 LYS 108 12.750 10.129 6.865 455 2HG LYS 108 HG2 LYS 108 12.479 8.812 8.025 456 1HD LYS 108 HD1 LYS 108 14.331 7.905 7.106 457 2HD LYS 108 HD2 LYS 108 13.143 7.202 5.991 458 1HE LYS 108 HE1 LYS 108 13.668 8.935 4.288 459 2HE LYS 108 HE2 LYS 108 14.698 9.837 5.479 460 1HZ LYS 108 HZ1 LYS 108 15.147 7.072 4.499 461 2HZ LYS 108 HZ2 LYS 108 15.964 8.467 3.980 462 3HZ LYS 108 HZ3 LYS 108 16.131 7.933 5.584 463 H LYS 109 HN LYS 109 9.530 7.284 5.602 464 HA LYS 109 HA LYS 109 7.040 7.998 4.103 465 1HB LYS 109 HB1 LYS 109 8.541 5.489 3.878 466 2HB LYS 109 HB2 LYS 109 7.159 5.568 3.441 467 1HG LYS 109 HG1 LYS 109 8.029 7.749 1.863 468 2HG LYS 109 HG2 LYS 109 9.591 7.293 2.514 469 1HD LYS 109 HD1 LYS 109 8.645 4.828 1.572 470 2HD LYS 109 HD2 LYS 109 7.866 5.910 0.500 471 1HE LYS 109 HE1 LYS 109 10.552 6.910 0.646 472 2HE LYS 109 HE2 LYS 109 10.819 5.243 1.202 473 1HZ LYS 109 HZ2 LYS 109 9.177 5.557 -1.215 474 2HZ LYS 109 HZ3 LYS 109 10.806 6.031 -1.376 475 3HZ LYS 109 HZ1 LYS 109 10.452 4.451 -0.896 476 H ALA 110 HN ALA 110 5.198 6.953 5.143 477 HA ALA 110 HA ALA 110 5.793 6.295 7.943 478 1HB ALA 110 HB1 ALA 110 3.074 6.763 6.749 479 2HB ALA 110 HB2 ALA 110 3.402 5.997 8.367 480 3HB ALA 110 HB3 ALA 110 3.926 7.668 8.097 481 H ARG 111 HN ARG 111 6.185 4.112 8.392 482 HA ARG 111 HA ARG 111 5.739 2.349 6.138 483 1HB ARG 111 HB1 ARG 111 7.947 2.673 7.375 484 2HB ARG 111 HB2 ARG 111 7.133 2.013 8.822 485 1HG ARG 111 HG1 ARG 111 6.931 0.336 6.333 486 2HG ARG 111 HG2 ARG 111 8.550 0.579 6.979 487 1HD ARG 111 HD1 ARG 111 7.410 0.044 9.337 488 2HD ARG 111 HD2 ARG 111 6.142 -0.663 8.399 489 HE ARG 111 HE ARG 111 9.120 -1.483 8.223 490 1HH1 ARG 111 HH22 ARG 111 5.878 -2.093 6.975 491 2HH1 ARG 111 HH21 ARG 111 6.479 -3.241 5.842 492 1HH2 ARG 111 HH12 ARG 111 9.587 -3.571 7.409 493 2HH2 ARG 111 HH11 ARG 111 8.559 -4.159 6.149 494 H LEU 112 HN LEU 112 4.602 0.545 6.287 495 HA LEU 112 HA LEU 112 2.594 0.528 8.478 496 1HB LEU 112 HB1 LEU 112 2.359 -0.179 5.506 497 2HB LEU 112 HB2 LEU 112 1.057 -0.378 6.698 498 HG LEU 112 HG LEU 112 2.402 2.267 6.062 499 1HD1 LEU 112 HD13 LEU 112 1.253 1.403 4.051 500 2HD1 LEU 112 HD11 LEU 112 -0.261 1.179 5.001 501 3HD1 LEU 112 HD12 LEU 112 0.404 2.838 4.730 502 1HD2 LEU 112 HD22 LEU 112 -0.070 1.734 7.705 503 2HD2 LEU 112 HD23 LEU 112 1.530 2.391 8.238 504 3HD2 LEU 112 HD21 LEU 112 0.496 3.350 7.121 505 H ASP 113 HN ASP 113 1.249 -1.638 8.022 506 HA ASP 113 HA ASP 113 3.257 -3.708 8.424 507 1HB ASP 113 HB1 ASP 113 1.489 -3.298 10.279 508 2HB ASP 113 HB2 ASP 113 0.302 -4.024 9.113 509 H TRP 114 HN TRP 114 3.144 -5.549 7.008 510 HA TRP 114 HA TRP 114 1.723 -5.376 4.976 511 1HB TRP 114 HB1 TRP 114 3.493 -7.464 6.291 512 2HB TRP 114 HB2 TRP 114 2.349 -8.266 5.212 513 HD1 TRP 114 HD1 TRP 114 5.742 -7.701 4.672 514 HE1 TRP 114 HE1 TRP 114 6.362 -6.548 2.441 515 HE3 TRP 114 HE3 TRP 114 1.220 -6.291 3.501 516 HZ2 TRP 114 HZ2 TRP 114 4.755 -5.576 0.130 517 HZ3 TRP 114 HZ3 TRP 114 0.666 -5.279 1.272 518 HH2 TRP 114 HH2 TRP 114 2.334 -5.167 -0.427 519 H ASN 115 HN ASN 115 0.469 -6.274 7.927 520 HA ASN 115 HA ASN 115 -1.919 -7.383 6.563 521 1HB ASN 115 HB1 ASN 115 -0.563 -8.123 8.918 522 2HB ASN 115 HB2 ASN 115 -1.738 -7.038 9.578 523 1HD2 ASN 115 HD21 ASN 115 -4.604 -9.045 8.548 524 2HD2 ASN 115 HD22 ASN 115 -4.090 -7.396 8.693 525 H THR 116 HN THR 116 -0.939 -4.455 6.530 526 HA THR 116 HA THR 116 -2.114 -3.416 8.679 527 HB THR 116 HB THR 116 -0.257 -2.344 6.938 528 HG1 THR 116 HG1 THR 116 -1.161 -1.188 9.240 529 1HG2 THR 116 HG22 THR 116 -2.516 -0.712 6.389 530 2HG2 THR 116 HG23 THR 116 -2.383 -0.310 8.126 531 3HG2 THR 116 HG21 THR 116 -1.032 0.091 6.985 532 H ASP 117 HN ASP 117 -4.021 -2.079 8.959 533 HA ASP 117 HA ASP 117 -6.265 -2.506 7.218 534 1HB ASP 117 HB1 ASP 117 -7.066 -0.428 8.631 535 2HB ASP 117 HB2 ASP 117 -7.013 -2.099 9.329 536 H ALA 118 HN ALA 118 -5.391 -1.893 5.183 537 HA ALA 118 HA ALA 118 -4.525 0.638 4.324 538 1HB ALA 118 HB1 ALA 118 -6.515 -1.381 3.075 539 2HB ALA 118 HB2 ALA 118 -5.530 -0.146 2.170 540 3HB ALA 118 HB3 ALA 118 -4.738 -1.538 3.002 541 H ALA 119 HN ALA 119 -7.581 -0.295 5.718 542 HA ALA 119 HA ALA 119 -9.195 1.787 4.512 543 1HB ALA 119 HB1 ALA 119 -8.964 -0.290 6.846 544 2HB ALA 119 HB2 ALA 119 -10.433 0.813 6.780 545 3HB ALA 119 HB3 ALA 119 -10.089 -0.380 5.474 546 H SER 120 HN SER 120 -6.651 1.735 6.942 547 HA SER 120 HA SER 120 -7.814 4.140 8.200 548 1HB SER 120 HB1 SER 120 -6.088 4.046 9.840 549 2HB SER 120 HB2 SER 120 -6.862 2.413 9.709 550 HG SER 120 HG1 SER 120 -4.984 1.717 9.388 551 H LEU 121 HN LEU 121 -5.712 3.103 5.669 552 HA LEU 121 HA LEU 121 -4.269 5.702 5.628 553 1HB LEU 121 HB1 LEU 121 -3.944 3.247 3.811 554 2HB LEU 121 HB2 LEU 121 -2.906 4.611 3.851 555 HG LEU 121 HG LEU 121 -1.636 3.177 5.189 556 1HD1 LEU 121 HD22 LEU 121 -2.308 5.130 6.690 557 2HD1 LEU 121 HD23 LEU 121 -3.597 4.119 7.354 558 3HD1 LEU 121 HD21 LEU 121 -1.883 3.580 7.582 559 1HD2 LEU 121 HD11 LEU 121 -4.316 1.914 5.857 560 2HD2 LEU 121 HD12 LEU 121 -2.781 1.150 5.265 561 3HD2 LEU 121 HD13 LEU 121 -2.953 1.674 6.994 562 H ILE 122 HN ILE 122 -6.876 4.206 4.728 563 HA ILE 122 HA ILE 122 -7.454 4.665 2.245 564 HB ILE 122 HB ILE 122 -9.113 3.957 4.170 565 1HG1 ILE 122 HG11 ILE 122 -10.976 4.168 2.348 566 2HG1 ILE 122 HG12 ILE 122 -9.511 4.487 1.306 567 1HG2 ILE 122 HG22 ILE 122 -9.684 6.249 4.930 568 2HG2 ILE 122 HG23 ILE 122 -10.326 6.602 3.256 569 3HG2 ILE 122 HG21 ILE 122 -11.114 5.359 4.245 570 1HD1 ILE 122 HD2 ILE 122 -8.498 2.394 2.461 571 2HD1 ILE 122 HD3 ILE 122 -10.312 1.946 2.500 572 3HD1 ILE 122 HD1 ILE 122 -9.494 2.331 0.986 573 H GLY 123 HN GLY 123 -8.082 6.160 0.868 574 1HA GLY 123 HA2 GLY 123 -8.386 8.181 -0.062 575 2HA GLY 123 HA1 GLY 123 -8.374 8.909 1.575 576 H GLU 124 HN GLU 124 -5.522 7.167 1.405 577 HA GLU 124 HA GLU 124 -4.088 9.676 0.814 578 1HB GLU 124 HB1 GLU 124 -3.056 7.207 2.244 579 2HB GLU 124 HB2 GLU 124 -2.326 8.828 2.189 580 1HG GLU 124 HG1 GLU 124 -5.156 8.512 3.349 581 2HG GLU 124 HG2 GLU 124 -3.851 7.794 4.234 582 H GLU 125 HN GLU 125 -1.592 8.409 0.620 583 HA GLU 125 HA GLU 125 -1.813 6.879 -1.914 584 1HB GLU 125 HB1 GLU 125 0.310 8.920 -1.074 585 2HB GLU 125 HB2 GLU 125 0.637 7.668 -2.256 586 1HG GLU 125 HG1 GLU 125 -0.232 8.555 -3.980 587 2HG GLU 125 HG2 GLU 125 -1.819 8.769 -3.168 588 H LEU 126 HN LEU 126 -0.865 4.839 -1.689 589 HA LEU 126 HA LEU 126 1.133 4.689 0.356 590 1HB LEU 126 HB1 LEU 126 -0.647 2.568 -0.960 591 2HB LEU 126 HB2 LEU 126 0.831 2.069 -0.197 592 HG LEU 126 HG LEU 126 -0.167 3.670 1.812 593 1HD1 LEU 126 HD23 LEU 126 -2.578 2.912 0.371 594 2HD1 LEU 126 HD21 LEU 126 -2.512 3.040 2.175 595 3HD1 LEU 126 HD22 LEU 126 -2.013 4.449 1.194 596 1HD2 LEU 126 HD11 LEU 126 0.740 1.339 2.059 597 2HD2 LEU 126 HD12 LEU 126 -0.845 1.543 2.939 598 3HD2 LEU 126 HD13 LEU 126 -0.784 0.679 1.367 599 H GLN 127 HN GLN 127 2.904 3.031 -0.056 600 HA GLN 127 HA GLN 127 3.711 2.983 -2.855 601 1HB GLN 127 HB1 GLN 127 4.653 5.207 -1.765 602 2HB GLN 127 HB2 GLN 127 5.676 4.127 -0.820 603 1HG GLN 127 HG1 GLN 127 5.947 3.260 -3.581 604 2HG GLN 127 HG2 GLN 127 5.875 5.089 -3.633 605 1HE2 GLN 127 HE21 GLN 127 9.331 3.583 -2.405 606 2HE2 GLN 127 HE22 GLN 127 8.077 2.553 -3.010 607 H VAL 128 HN VAL 128 5.435 1.407 -3.154 608 HA VAL 128 HA VAL 128 5.889 -0.226 -0.723 609 HB VAL 128 HB VAL 128 5.338 -1.123 -3.559 610 1HG1 VAL 128 HG11 VAL 128 6.494 -2.766 -1.208 611 2HG1 VAL 128 HG12 VAL 128 5.929 -3.427 -2.789 612 3HG1 VAL 128 HG13 VAL 128 7.370 -2.370 -2.756 613 1HG2 VAL 128 HG23 VAL 128 3.384 -0.931 -2.025 614 2HG2 VAL 128 HG21 VAL 128 3.734 -2.614 -2.560 615 3HG2 VAL 128 HG22 VAL 128 4.191 -2.085 -0.885 616 H ASP 129 HN ASP 129 8.008 -0.860 -0.369 617 HA ASP 129 HA ASP 129 9.941 0.038 -2.376 618 1HB ASP 129 HB1 ASP 129 9.457 1.553 -0.023 619 2HB ASP 129 HB2 ASP 129 10.826 0.492 0.455 620 H PHE 130 HN PHE 130 12.291 -0.713 -1.267 621 HA PHE 130 HA PHE 130 11.851 -3.567 -0.887 622 1HB PHE 130 HB1 PHE 130 14.456 -1.955 -1.032 623 2HB PHE 130 HB2 PHE 130 14.298 -3.737 -1.075 624 HD1 PHE 130 HD1 PHE 130 13.174 -4.860 -3.007 625 HD2 PHE 130 HD2 PHE 130 13.855 -0.632 -3.014 626 HE1 PHE 130 HE1 PHE 130 12.689 -4.770 -5.404 627 HE2 PHE 130 HE2 PHE 130 13.372 -0.567 -5.411 628 HZ PHE 130 HZ PHE 130 12.773 -2.631 -6.613 629 H LEU 131 HN LEU 131 12.577 -4.709 1.010 630 HA LEU 131 HA LEU 131 12.707 -3.014 3.378 631 1HB LEU 131 HB1 LEU 131 12.425 -5.172 4.582 632 2HB LEU 131 HB2 LEU 131 11.082 -4.644 3.575 633 HG LEU 131 HG LEU 131 11.447 -5.971 1.698 634 1HD1 LEU 131 HD23 LEU 131 13.702 -7.374 3.255 635 2HD1 LEU 131 HD21 LEU 131 12.970 -7.913 1.707 636 3HD1 LEU 131 HD22 LEU 131 13.889 -6.383 1.729 637 1HD2 LEU 131 HD13 LEU 131 9.943 -6.760 3.456 638 2HD2 LEU 131 HD11 LEU 131 10.770 -8.115 2.598 639 3HD2 LEU 131 HD12 LEU 131 11.310 -7.628 4.253 640 H ASP 132 HN ASP 132 14.093 -5.631 4.462 641 HA ASP 132 HA ASP 132 16.675 -4.420 4.476 642 1HB ASP 132 HB1 ASP 132 16.005 -7.282 5.354 643 2HB ASP 132 HB2 ASP 132 17.395 -6.237 5.900 No H/Q in entry = 643 Start of MODEL 9 1 1H SER 55 HT3 SER 55 -13.797 7.714 3.145 2 2H SER 55 HT2 SER 55 -12.132 7.742 3.363 3 3H SER 55 HT1 SER 55 -12.911 9.092 2.665 4 HA SER 55 HA SER 55 -13.462 7.896 0.746 5 1HB SER 55 HB1 SER 55 -10.996 8.794 1.144 6 2HB SER 55 HB2 SER 55 -10.560 7.067 1.365 7 HG SER 55 HG1 SER 55 -11.636 8.408 -0.895 8 H ASN 56 HN ASN 56 -12.531 5.814 -0.543 9 HA ASN 56 HA ASN 56 -12.508 3.436 1.222 10 1HB ASN 56 HB1 ASN 56 -13.929 2.180 -0.295 11 2HB ASN 56 HB2 ASN 56 -14.783 3.457 0.651 12 1HD2 ASN 56 HD21 ASN 56 -14.340 3.907 -3.447 13 2HD2 ASN 56 HD22 ASN 56 -13.387 2.745 -2.600 14 H THR 57 HN THR 57 -10.745 5.345 -0.524 15 HA THR 57 HA THR 57 -9.713 3.246 -2.355 16 HB THR 57 HB THR 57 -9.151 4.946 -3.987 17 HG1 THR 57 HG1 THR 57 -10.375 6.743 -2.140 18 1HG2 THR 57 HG23 THR 57 -11.517 4.122 -4.163 19 2HG2 THR 57 HG21 THR 57 -12.052 5.465 -3.073 20 3HG2 THR 57 HG22 THR 57 -11.348 5.835 -4.691 21 H ILE 58 HN ILE 58 -7.426 3.209 -2.587 22 HA ILE 58 HA ILE 58 -6.005 5.392 -1.404 23 HB ILE 58 HB ILE 58 -4.597 2.892 -0.661 24 1HG1 ILE 58 HG11 ILE 58 -5.903 2.622 1.503 25 2HG1 ILE 58 HG12 ILE 58 -7.259 3.394 0.698 26 1HG2 ILE 58 HG21 ILE 58 -5.129 5.530 0.758 27 2HG2 ILE 58 HG22 ILE 58 -4.287 4.145 1.511 28 3HG2 ILE 58 HG23 ILE 58 -3.607 4.918 0.013 29 1HD1 ILE 58 HD1 ILE 58 -5.704 0.912 -0.361 30 2HD1 ILE 58 HD2 ILE 58 -7.210 0.825 0.608 31 3HD1 ILE 58 HD3 ILE 58 -7.258 1.559 -1.034 32 H ARG 59 HN ARG 59 -3.611 5.321 -2.201 33 HA ARG 59 HA ARG 59 -3.721 4.023 -4.830 34 1HB ARG 59 HB1 ARG 59 -2.294 6.470 -3.770 35 2HB ARG 59 HB2 ARG 59 -2.025 5.756 -5.383 36 1HG ARG 59 HG1 ARG 59 -3.883 6.623 -6.244 37 2HG ARG 59 HG2 ARG 59 -4.893 6.042 -5.019 38 1HD ARG 59 HD1 ARG 59 -3.128 8.489 -4.376 39 2HD ARG 59 HD2 ARG 59 -4.613 8.707 -5.372 40 HE ARG 59 HE ARG 59 -4.573 7.638 -2.521 41 1HH1 ARG 59 HH22 ARG 59 -6.409 7.797 -5.478 42 2HH1 ARG 59 HH21 ARG 59 -7.906 7.456 -4.671 43 1HH2 ARG 59 HH12 ARG 59 -6.586 7.718 -1.439 44 2HH2 ARG 59 HH11 ARG 59 -8.002 7.370 -2.385 45 H VAL 60 HN VAL 60 -1.986 2.831 -5.547 46 HA VAL 60 HA VAL 60 0.014 2.201 -3.434 47 HB VAL 60 HB VAL 60 -0.723 0.269 -5.633 48 1HG1 VAL 60 HG11 VAL 60 1.474 0.011 -4.455 49 2HG1 VAL 60 HG12 VAL 60 0.586 -0.200 -2.909 50 3HG1 VAL 60 HG13 VAL 60 0.345 -1.388 -4.259 51 1HG2 VAL 60 HG22 VAL 60 -1.966 0.328 -2.830 52 2HG2 VAL 60 HG23 VAL 60 -2.821 0.571 -4.405 53 3HG2 VAL 60 HG21 VAL 60 -2.077 -1.024 -4.026 54 H PHE 61 HN PHE 61 1.839 3.207 -3.992 55 HA PHE 61 HA PHE 61 2.382 3.608 -6.835 56 1HB PHE 61 HB1 PHE 61 3.438 4.793 -4.265 57 2HB PHE 61 HB2 PHE 61 4.456 4.850 -5.827 58 HD1 PHE 61 HD1 PHE 61 0.871 5.357 -4.690 59 HD2 PHE 61 HD2 PHE 61 4.155 6.792 -7.033 60 HE1 PHE 61 HE1 PHE 61 -0.385 7.373 -5.240 61 HE2 PHE 61 HE2 PHE 61 2.911 8.847 -7.493 62 HZ PHE 61 HZ PHE 61 0.665 9.173 -6.532 63 H LEU 62 HN LEU 62 4.330 2.793 -7.865 64 HA LEU 62 HA LEU 62 4.912 0.222 -6.584 65 1HB LEU 62 HB1 LEU 62 5.319 1.302 -9.394 66 2HB LEU 62 HB2 LEU 62 6.129 -0.195 -8.843 67 HG LEU 62 HG LEU 62 3.901 -0.463 -10.098 68 1HD1 LEU 62 HD13 LEU 62 5.054 -2.321 -8.945 69 2HD1 LEU 62 HD11 LEU 62 4.245 -1.863 -7.394 70 3HD1 LEU 62 HD12 LEU 62 3.259 -2.430 -8.791 71 1HD2 LEU 62 HD23 LEU 62 2.608 1.244 -8.818 72 2HD2 LEU 62 HD21 LEU 62 1.855 -0.396 -8.828 73 3HD2 LEU 62 HD22 LEU 62 2.723 0.179 -7.351 74 HA PRO 63 HA PRO 63 8.977 1.580 -5.862 75 1HB PRO 63 HB1 PRO 63 9.962 -1.104 -6.648 76 2HB PRO 63 HB2 PRO 63 10.216 -0.221 -5.159 77 1HG PRO 63 HG1 PRO 63 8.488 -2.371 -5.481 78 2HG PRO 63 HG2 PRO 63 8.324 -1.224 -4.218 79 1HD PRO 63 HD1 PRO 63 6.472 -1.564 -6.373 80 2HD PRO 63 HD2 PRO 63 6.383 -0.406 -5.133 81 H ASN 64 HN ASN 64 7.683 0.467 -8.841 82 HA ASN 64 HA ASN 64 10.093 1.265 -10.325 83 1HB ASN 64 HB1 ASN 64 7.343 0.331 -11.309 84 2HB ASN 64 HB2 ASN 64 8.759 0.751 -12.356 85 1HD2 ASN 64 HD21 ASN 64 8.526 -2.993 -10.986 86 2HD2 ASN 64 HD22 ASN 64 7.199 -1.893 -11.156 87 H LYS 65 HN LYS 65 8.250 2.909 -8.446 88 HA LYS 65 HA LYS 65 7.801 5.019 -8.331 89 1HB LYS 65 HB1 LYS 65 8.617 5.449 -11.227 90 2HB LYS 65 HB2 LYS 65 8.504 6.666 -9.942 91 1HG LYS 65 HG1 LYS 65 10.627 6.295 -9.308 92 2HG LYS 65 HG2 LYS 65 10.183 4.601 -8.900 93 1HD LYS 65 HD1 LYS 65 10.397 4.251 -11.568 94 2HD LYS 65 HD2 LYS 65 11.623 5.520 -11.344 95 1HE LYS 65 HE1 LYS 65 12.802 4.105 -9.674 96 2HE LYS 65 HE2 LYS 65 11.430 2.943 -9.636 97 1HZ LYS 65 HZ2 LYS 65 11.822 2.510 -11.988 98 2HZ LYS 65 HZ3 LYS 65 13.162 3.552 -11.974 99 3HZ LYS 65 HZ1 LYS 65 13.171 2.137 -11.031 100 H GLN 66 HN GLN 66 6.295 2.951 -10.222 101 HA GLN 66 HA GLN 66 4.421 4.608 -11.306 102 1HB GLN 66 HB1 GLN 66 4.832 1.734 -11.403 103 2HB GLN 66 HB2 GLN 66 3.188 1.956 -11.153 104 1HG GLN 66 HG1 GLN 66 4.381 3.806 -13.241 105 2HG GLN 66 HG2 GLN 66 4.609 2.061 -13.594 106 1HE2 GLN 66 HE21 GLN 66 0.793 3.775 -13.471 107 2HE2 GLN 66 HE22 GLN 66 2.186 4.689 -13.061 108 H ARG 67 HN ARG 67 1.869 3.517 -11.002 109 HA ARG 67 HA ARG 67 1.159 3.822 -8.192 110 1HB ARG 67 HB1 ARG 67 -0.270 5.806 -8.701 111 2HB ARG 67 HB2 ARG 67 1.465 6.116 -8.536 112 1HG ARG 67 HG1 ARG 67 0.459 5.526 -11.330 113 2HG ARG 67 HG2 ARG 67 -0.111 7.014 -10.603 114 1HD ARG 67 HD1 ARG 67 2.026 8.010 -10.493 115 2HD ARG 67 HD2 ARG 67 2.870 6.444 -10.367 116 HE ARG 67 HE ARG 67 1.475 7.235 -12.955 117 1HH1 ARG 67 HH22 ARG 67 4.520 7.019 -11.223 118 2HH1 ARG 67 HH21 ARG 67 5.407 7.498 -12.617 119 1HH2 ARG 67 HH12 ARG 67 2.739 7.056 -14.850 120 2HH2 ARG 67 HH11 ARG 67 4.420 7.430 -14.693 121 H THR 68 HN THR 68 -1.191 3.766 -7.954 122 HA THR 68 HA THR 68 -2.913 3.303 -10.058 123 HB THR 68 HB THR 68 -1.762 1.124 -10.456 124 HG1 THR 68 HG1 THR 68 -3.703 -0.146 -9.930 125 1HG2 THR 68 HG23 THR 68 -0.952 0.703 -8.090 126 2HG2 THR 68 HG21 THR 68 -2.664 0.371 -7.607 127 3HG2 THR 68 HG22 THR 68 -1.846 -0.690 -8.811 128 H VAL 69 HN VAL 69 -5.099 2.371 -9.067 129 HA VAL 69 HA VAL 69 -5.136 3.319 -6.255 130 HB VAL 69 HB VAL 69 -6.304 4.971 -7.366 131 1HG1 VAL 69 HG12 VAL 69 -7.845 2.794 -8.904 132 2HG1 VAL 69 HG13 VAL 69 -8.180 4.566 -8.947 133 3HG1 VAL 69 HG11 VAL 69 -6.623 3.940 -9.597 134 1HG2 VAL 69 HG22 VAL 69 -7.329 4.176 -5.317 135 2HG2 VAL 69 HG23 VAL 69 -8.474 4.931 -6.487 136 3HG2 VAL 69 HG21 VAL 69 -8.448 3.142 -6.305 137 H VAL 70 HN VAL 70 -6.173 2.052 -4.804 138 HA VAL 70 HA VAL 70 -7.500 -0.372 -5.868 139 HB VAL 70 HB VAL 70 -6.632 -1.657 -3.954 140 1HG1 VAL 70 HG12 VAL 70 -5.504 -1.874 -6.144 141 2HG1 VAL 70 HG13 VAL 70 -4.417 -0.502 -5.723 142 3HG1 VAL 70 HG11 VAL 70 -4.352 -2.042 -4.760 143 1HG2 VAL 70 HG22 VAL 70 -4.826 0.777 -3.466 144 2HG2 VAL 70 HG23 VAL 70 -6.065 0.080 -2.345 145 3HG2 VAL 70 HG21 VAL 70 -4.586 -0.865 -2.761 146 H ASN 71 HN ASN 71 -8.997 -1.309 -4.136 147 HA ASN 71 HA ASN 71 -10.155 0.948 -2.604 148 1HB ASN 71 HB1 ASN 71 -11.592 -1.108 -4.384 149 2HB ASN 71 HB2 ASN 71 -12.424 -0.125 -3.109 150 1HD2 ASN 71 HD21 ASN 71 -11.099 1.752 -6.558 151 2HD2 ASN 71 HD22 ASN 71 -10.469 0.197 -6.132 152 H VAL 72 HN VAL 72 -11.209 0.279 -0.647 153 HA VAL 72 HA VAL 72 -10.485 -2.484 0.148 154 HB VAL 72 HB VAL 72 -11.191 -0.230 2.005 155 1HG1 VAL 72 HG12 VAL 72 -10.056 -3.066 2.399 156 2HG1 VAL 72 HG13 VAL 72 -10.031 -1.789 3.654 157 3HG1 VAL 72 HG11 VAL 72 -11.617 -2.394 3.028 158 1HG2 VAL 72 HG23 VAL 72 -8.423 -1.305 1.235 159 2HG2 VAL 72 HG21 VAL 72 -9.078 0.337 0.889 160 3HG2 VAL 72 HG22 VAL 72 -8.797 -0.180 2.598 161 H ARG 73 HN ARG 73 -12.225 -3.686 -0.566 162 HA ARG 73 HA ARG 73 -14.873 -2.600 0.064 163 1HB ARG 73 HB1 ARG 73 -13.859 -3.464 -2.345 164 2HB ARG 73 HB2 ARG 73 -14.313 -5.003 -1.745 165 1HG ARG 73 HG1 ARG 73 -16.459 -2.838 -1.479 166 2HG ARG 73 HG2 ARG 73 -16.044 -3.302 -3.128 167 1HD ARG 73 HD1 ARG 73 -16.765 -5.537 -2.925 168 2HD ARG 73 HD2 ARG 73 -16.664 -5.536 -1.129 169 HE ARG 73 HE ARG 73 -18.738 -4.022 -2.777 170 1HH1 ARG 73 HH22 ARG 73 -17.274 -4.400 0.361 171 2HH1 ARG 73 HH21 ARG 73 -18.608 -3.634 1.164 172 1HH2 ARG 73 HH12 ARG 73 -20.705 -3.584 -1.648 173 2HH2 ARG 73 HH11 ARG 73 -20.542 -3.135 0.013 174 H ASN 74 HN ASN 74 -12.566 -4.717 1.116 175 HA ASN 74 HA ASN 74 -14.387 -6.076 2.804 176 1HB ASN 74 HB1 ASN 74 -14.387 -7.353 0.397 177 2HB ASN 74 HB2 ASN 74 -12.834 -7.979 0.941 178 1HD2 ASN 74 HD21 ASN 74 -16.473 -8.983 2.820 179 2HD2 ASN 74 HD22 ASN 74 -16.344 -7.579 1.816 180 H GLY 75 HN GLY 75 -12.464 -8.394 3.152 181 1HA GLY 75 HA2 GLY 75 -10.521 -6.967 4.734 182 2HA GLY 75 HA1 GLY 75 -10.717 -8.738 4.491 183 H MET 76 HN MET 76 -9.893 -5.800 2.588 184 HA MET 76 HA MET 76 -8.227 -7.279 0.830 185 1HB MET 76 HB1 MET 76 -8.319 -4.244 1.367 186 2HB MET 76 HB2 MET 76 -7.505 -4.960 0.058 187 1HG MET 76 HG1 MET 76 -10.529 -4.844 0.808 188 2HG MET 76 HG2 MET 76 -9.742 -4.067 -0.601 189 1HE MET 76 HE1 MET 76 -8.612 -5.217 -2.594 190 2HE MET 76 HE2 MET 76 -7.743 -6.539 -1.738 191 3HE MET 76 HE3 MET 76 -8.845 -6.926 -3.089 192 H SER 77 HN SER 77 -7.630 -4.902 3.456 193 HA SER 77 HA SER 77 -5.807 -4.889 4.934 194 1HB SER 77 HB1 SER 77 -5.873 -7.489 4.580 195 2HB SER 77 HB2 SER 77 -4.332 -7.123 3.779 196 HG SER 77 HG1 SER 77 -4.336 -7.512 6.107 197 H LEU 78 HN LEU 78 -3.152 -5.176 4.537 198 HA LEU 78 HA LEU 78 -2.540 -3.589 2.261 199 1HB LEU 78 HB1 LEU 78 -1.252 -4.713 4.736 200 2HB LEU 78 HB2 LEU 78 -0.134 -4.410 3.354 201 HG LEU 78 HG LEU 78 -0.236 -2.531 4.910 202 1HD1 LEU 78 HD21 LEU 78 -0.125 -2.447 2.202 203 2HD1 LEU 78 HD22 LEU 78 -1.619 -1.597 2.408 204 3HD1 LEU 78 HD23 LEU 78 -0.342 -0.848 3.300 205 1HD2 LEU 78 HD11 LEU 78 -3.075 -2.240 3.719 206 2HD2 LEU 78 HD12 LEU 78 -2.675 -2.435 5.454 207 3HD2 LEU 78 HD13 LEU 78 -2.190 -0.921 4.438 208 H HIS 79 HN HSP 79 -1.630 -6.770 3.455 209 HA HIS 79 HA HSP 79 -0.270 -7.616 1.302 210 1HB HIS 79 HB1 HSP 79 -1.955 -9.035 3.438 211 2HB HIS 79 HB2 HSP 79 -1.508 -10.021 2.046 212 HD1 HIS 79 HD1 HSP 79 -0.516 -10.309 5.042 213 HD2 HIS 79 HD2 HSP 79 1.794 -8.821 1.891 214 HE1 HIS 79 HE1 HSP 79 1.993 -10.505 5.549 215 HE2 HIS 79 HE2 HSP 79 3.167 -10.353 3.356 216 H ASP 80 HN ASP 80 -3.786 -8.471 1.876 217 HA ASP 80 HA ASP 80 -3.873 -9.605 -0.697 218 1HB ASP 80 HB1 ASP 80 -6.425 -8.858 0.710 219 2HB ASP 80 HB2 ASP 80 -6.025 -10.281 -0.301 220 H CYS 81 HN CYS 81 -4.550 -6.356 0.590 221 HA CYS 81 HA CYS 81 -5.852 -5.516 -1.747 222 1HB CYS 81 HB1 CYS 81 -5.544 -4.493 0.733 223 2HB CYS 81 HB2 CYS 81 -4.219 -3.643 0.037 224 HG1 CYS 81 HG1 CYS 81 -6.211 -1.980 -0.070 225 H LEU 82 HN LEU 82 -2.484 -5.799 -0.914 226 HA LEU 82 HA LEU 82 -1.648 -4.216 -3.227 227 1HB LEU 82 HB1 LEU 82 -0.265 -5.711 -0.907 228 2HB LEU 82 HB2 LEU 82 0.679 -5.139 -2.187 229 HG LEU 82 HG LEU 82 -0.290 -3.848 0.145 230 1HD1 LEU 82 HD13 LEU 82 0.951 -2.598 -2.432 231 2HD1 LEU 82 HD11 LEU 82 0.738 -1.644 -0.910 232 3HD1 LEU 82 HD12 LEU 82 1.856 -3.057 -0.935 233 1HD2 LEU 82 HD21 LEU 82 -1.794 -2.638 -2.141 234 2HD2 LEU 82 HD22 LEU 82 -2.382 -3.350 -0.599 235 3HD2 LEU 82 HD23 LEU 82 -1.464 -1.814 -0.538 236 H MET 83 HN MET 83 -1.356 -7.489 -1.901 237 HA MET 83 HA MET 83 0.170 -8.765 -3.890 238 1HB MET 83 HB1 MET 83 -0.700 -9.799 -1.781 239 2HB MET 83 HB2 MET 83 -2.341 -9.521 -2.295 240 1HG MET 83 HG1 MET 83 -2.140 -11.715 -2.720 241 2HG MET 83 HG2 MET 83 -2.187 -10.920 -4.271 242 1HE MET 83 HE1 MET 83 0.571 -11.656 -1.404 243 2HE MET 83 HE2 MET 83 -0.203 -13.227 -1.797 244 3HE MET 83 HE3 MET 83 1.528 -12.959 -2.181 245 H LYS 84 HN LYS 84 -3.366 -7.808 -3.885 246 HA LYS 84 HA LYS 84 -3.983 -8.569 -6.275 247 1HB LYS 84 HB1 LYS 84 -5.240 -7.218 -4.381 248 2HB LYS 84 HB2 LYS 84 -4.219 -5.817 -4.751 249 1HG LYS 84 HG1 LYS 84 -6.677 -5.988 -5.616 250 2HG LYS 84 HG2 LYS 84 -5.409 -5.352 -6.692 251 1HD LYS 84 HD1 LYS 84 -5.157 -7.361 -7.892 252 2HD LYS 84 HD2 LYS 84 -5.923 -8.306 -6.711 253 1HE LYS 84 HE1 LYS 84 -7.473 -6.101 -8.333 254 2HE LYS 84 HE2 LYS 84 -7.421 -7.838 -8.839 255 1HZ LYS 84 HZ1 LYS 84 -8.404 -8.435 -6.744 256 2HZ LYS 84 HZ2 LYS 84 -8.467 -6.812 -6.263 257 3HZ LYS 84 HZ3 LYS 84 -9.385 -7.337 -7.593 258 H ALA 85 HN ALA 85 -2.588 -5.365 -5.486 259 HA ALA 85 HA ALA 85 -2.476 -4.423 -8.138 260 1HB ALA 85 HB3 ALA 85 -2.107 -3.150 -5.831 261 2HB ALA 85 HB1 ALA 85 -0.471 -3.940 -5.761 262 3HB ALA 85 HB2 ALA 85 -0.814 -2.764 -7.055 263 H LEU 86 HN LEU 86 0.016 -6.110 -6.181 264 HA LEU 86 HA LEU 86 2.022 -5.782 -8.275 265 1HB LEU 86 HB1 LEU 86 1.937 -7.571 -5.796 266 2HB LEU 86 HB2 LEU 86 3.316 -7.202 -6.617 267 HG LEU 86 HG LEU 86 1.490 -4.913 -5.580 268 1HD1 LEU 86 HD22 LEU 86 1.398 -6.353 -3.892 269 2HD1 LEU 86 HD23 LEU 86 3.204 -6.327 -3.658 270 3HD1 LEU 86 HD21 LEU 86 2.156 -4.821 -3.459 271 1HD2 LEU 86 HD11 LEU 86 3.292 -4.261 -7.062 272 2HD2 LEU 86 HD12 LEU 86 3.271 -3.478 -5.462 273 3HD2 LEU 86 HD13 LEU 86 4.481 -4.811 -5.805 274 H LYS 87 HN LYS 87 -0.058 -8.253 -6.998 275 HA LYS 87 HA LYS 87 0.631 -10.274 -8.542 276 1HB LYS 87 HB1 LYS 87 -2.089 -9.356 -7.626 277 2HB LYS 87 HB2 LYS 87 -2.330 -9.857 -9.115 278 1HG LYS 87 HG1 LYS 87 -0.683 -11.792 -7.423 279 2HG LYS 87 HG2 LYS 87 -2.358 -11.580 -7.014 280 1HD LYS 87 HD1 LYS 87 -2.941 -13.042 -8.730 281 2HD LYS 87 HD2 LYS 87 -2.292 -11.875 -9.909 282 1HE LYS 87 HE1 LYS 87 -0.626 -14.058 -8.487 283 2HE LYS 87 HE2 LYS 87 -1.253 -14.126 -10.182 284 1HZ LYS 87 HZ2 LYS 87 -0.041 -11.918 -10.446 285 2HZ LYS 87 HZ3 LYS 87 0.793 -12.347 -9.039 286 3HZ LYS 87 HZ1 LYS 87 0.865 -13.360 -10.402 287 H VAL 88 HN VAL 88 -1.652 -7.888 -9.699 288 HA VAL 88 HA VAL 88 -1.803 -8.374 -12.322 289 HB VAL 88 HB VAL 88 -1.204 -5.550 -11.200 290 1HG1 VAL 88 HG12 VAL 88 -2.742 -6.259 -13.709 291 2HG1 VAL 88 HG13 VAL 88 -2.573 -4.627 -12.924 292 3HG1 VAL 88 HG11 VAL 88 -1.115 -5.419 -13.559 293 1HG2 VAL 88 HG21 VAL 88 -3.791 -7.125 -11.128 294 2HG2 VAL 88 HG22 VAL 88 -2.916 -6.199 -9.827 295 3HG2 VAL 88 HG23 VAL 88 -3.731 -5.305 -11.117 296 H ARG 89 HN ARG 89 0.892 -6.732 -10.714 297 HA ARG 89 HA ARG 89 2.251 -6.178 -13.144 298 1HB ARG 89 HB1 ARG 89 3.198 -6.098 -10.221 299 2HB ARG 89 HB2 ARG 89 3.930 -5.225 -11.547 300 1HG ARG 89 HG1 ARG 89 0.996 -4.679 -11.334 301 2HG ARG 89 HG2 ARG 89 1.683 -4.505 -9.795 302 1HD ARG 89 HD1 ARG 89 3.403 -2.840 -11.078 303 2HD ARG 89 HD2 ARG 89 2.405 -3.195 -12.554 304 HE ARG 89 HE ARG 89 1.130 -2.059 -10.044 305 1HH1 ARG 89 HH22 ARG 89 2.634 -1.340 -13.087 306 2HH1 ARG 89 HH21 ARG 89 2.015 0.280 -13.130 307 1HH2 ARG 89 HH12 ARG 89 -0.145 -0.178 -10.391 308 2HH2 ARG 89 HH11 ARG 89 0.437 0.948 -11.566 309 H GLY 90 HN GLY 90 2.507 -8.598 -10.534 310 1HA GLY 90 HA2 GLY 90 3.316 -10.744 -10.966 311 2HA GLY 90 HA1 GLY 90 4.383 -10.129 -12.269 312 H LEU 91 HN LEU 91 3.833 -8.537 -9.116 313 HA LEU 91 HA LEU 91 6.730 -8.876 -8.619 314 1HB LEU 91 HB1 LEU 91 4.703 -6.733 -7.798 315 2HB LEU 91 HB2 LEU 91 6.293 -6.896 -7.019 316 HG LEU 91 HG LEU 91 5.461 -5.825 -9.708 317 1HD1 LEU 91 HD21 LEU 91 6.334 -4.359 -7.918 318 2HD1 LEU 91 HD22 LEU 91 7.903 -5.252 -7.950 319 3HD1 LEU 91 HD23 LEU 91 7.360 -4.324 -9.405 320 1HD2 LEU 91 HD13 LEU 91 8.027 -7.463 -9.508 321 2HD2 LEU 91 HD11 LEU 91 6.613 -7.719 -10.612 322 3HD2 LEU 91 HD12 LEU 91 7.637 -6.256 -10.804 323 H GLN 92 HN GLN 92 7.260 -8.813 -6.206 324 HA GLN 92 HA GLN 92 5.424 -10.719 -4.901 325 1HB GLN 92 HB1 GLN 92 8.311 -10.073 -4.160 326 2HB GLN 92 HB2 GLN 92 7.281 -11.361 -3.481 327 1HG GLN 92 HG1 GLN 92 7.172 -12.371 -5.857 328 2HG GLN 92 HG2 GLN 92 8.380 -11.141 -6.359 329 1HE2 GLN 92 HE21 GLN 92 10.508 -14.039 -5.335 330 2HE2 GLN 92 HE22 GLN 92 9.469 -13.638 -6.643 331 HA PRO 93 HA PRO 93 4.999 -7.351 -2.147 332 1HB PRO 93 HB1 PRO 93 3.173 -8.382 -0.466 333 2HB PRO 93 HB2 PRO 93 2.749 -7.848 -2.070 334 1HG PRO 93 HG1 PRO 93 2.995 -10.644 -1.128 335 2HG PRO 93 HG2 PRO 93 1.976 -9.972 -2.383 336 1HD PRO 93 HD1 PRO 93 4.333 -11.389 -2.849 337 2HD PRO 93 HD2 PRO 93 3.609 -10.282 -3.997 338 H GLU 94 HN GLU 94 5.697 -10.720 -1.129 339 HA GLU 94 HA GLU 94 6.071 -9.996 1.581 340 1HB GLU 94 HB1 GLU 94 6.905 -12.481 -0.011 341 2HB GLU 94 HB2 GLU 94 7.211 -12.319 1.728 342 1HG GLU 94 HG1 GLU 94 4.370 -12.052 0.544 343 2HG GLU 94 HG2 GLU 94 5.092 -13.635 1.053 344 H CYS 95 HN CYS 95 8.018 -9.622 -1.246 345 HA CYS 95 HA CYS 95 10.473 -9.612 0.363 346 1HB CYS 95 HB1 CYS 95 10.180 -10.694 -2.053 347 2HB CYS 95 HB2 CYS 95 10.291 -9.021 -2.623 348 HG1 CYS 95 HG1 CYS 95 12.546 -8.517 -1.211 349 H CYS 96 HN CYS 96 7.944 -7.555 -0.077 350 HA CYS 96 HA CYS 96 9.710 -5.196 -0.419 351 1HB CYS 96 HB1 CYS 96 6.774 -5.597 -1.167 352 2HB CYS 96 HB2 CYS 96 7.625 -4.108 -1.284 353 HG1 CYS 96 HG1 CYS 96 7.625 -6.630 -3.234 354 H ALA 97 HN ALA 97 8.580 -3.222 0.502 355 HA ALA 97 HA ALA 97 7.010 -3.888 2.900 356 1HB ALA 97 HB2 ALA 97 9.203 -1.759 2.868 357 2HB ALA 97 HB3 ALA 97 7.940 -1.931 4.113 358 3HB ALA 97 HB1 ALA 97 9.110 -3.263 3.937 359 H VAL 98 HN VAL 98 5.169 -2.687 2.977 360 HA VAL 98 HA VAL 98 4.865 -0.605 0.954 361 HB VAL 98 HB VAL 98 3.099 -2.238 0.940 362 1HG1 VAL 98 HG11 VAL 98 3.546 -2.370 3.785 363 2HG1 VAL 98 HG12 VAL 98 1.894 -1.934 3.530 364 3HG1 VAL 98 HG13 VAL 98 2.574 -3.438 2.677 365 1HG2 VAL 98 HG21 VAL 98 2.493 0.282 0.844 366 2HG2 VAL 98 HG22 VAL 98 1.203 -0.932 1.099 367 3HG2 VAL 98 HG23 VAL 98 1.793 -0.027 2.518 368 H PHE 99 HN PHE 99 3.982 1.460 1.558 369 HA PHE 99 HA PHE 99 4.544 2.258 4.344 370 1HB PHE 99 HB1 PHE 99 5.919 3.313 1.815 371 2HB PHE 99 HB2 PHE 99 5.675 4.352 3.166 372 HD1 PHE 99 HD1 PHE 99 6.925 1.042 1.864 373 HD2 PHE 99 HD2 PHE 99 7.420 3.742 5.166 374 HE1 PHE 99 HE1 PHE 99 9.208 0.312 2.186 375 HE2 PHE 99 HE2 PHE 99 9.670 3.020 5.396 376 HZ PHE 99 HZ PHE 99 10.697 1.782 3.516 377 H ARG 100 HN ARG 100 3.765 4.383 4.760 378 HA ARG 100 HA ARG 100 1.696 5.471 2.876 379 1HB ARG 100 HB1 ARG 100 2.449 6.048 5.715 380 2HB ARG 100 HB2 ARG 100 1.726 7.273 4.752 381 1HG ARG 100 HG1 ARG 100 -0.303 6.167 4.272 382 2HG ARG 100 HG2 ARG 100 0.302 4.606 4.781 383 1HD ARG 100 HD1 ARG 100 -0.823 4.969 6.687 384 2HD ARG 100 HD2 ARG 100 0.683 5.783 7.185 385 HE ARG 100 HE ARG 100 -1.838 7.149 6.068 386 1HH1 ARG 100 HH22 ARG 100 1.428 7.547 7.320 387 2HH1 ARG 100 HH21 ARG 100 1.305 9.283 7.361 388 1HH2 ARG 100 HH12 ARG 100 -2.099 9.374 6.446 389 2HH2 ARG 100 HH11 ARG 100 -0.694 10.310 6.905 390 H LEU 101 HN LEU 101 2.327 7.349 1.732 391 HA LEU 101 HA LEU 101 5.054 7.924 1.631 392 1HB LEU 101 HB1 LEU 101 2.537 9.356 0.534 393 2HB LEU 101 HB2 LEU 101 4.162 9.984 0.208 394 HG LEU 101 HG LEU 101 4.769 7.670 -0.734 395 1HD1 LEU 101 HD22 LEU 101 1.897 7.155 -0.310 396 2HD1 LEU 101 HD23 LEU 101 2.781 6.441 -1.708 397 3HD1 LEU 101 HD21 LEU 101 3.355 6.135 -0.018 398 1HD2 LEU 101 HD12 LEU 101 4.190 9.669 -2.262 399 2HD2 LEU 101 HD13 LEU 101 3.616 8.100 -2.948 400 3HD2 LEU 101 HD11 LEU 101 2.440 9.194 -2.141 401 H LEU 102 HN LEU 102 5.473 10.615 1.539 402 HA LEU 102 HA LEU 102 5.434 11.204 4.312 403 1HB LEU 102 HB1 LEU 102 6.640 13.319 3.331 404 2HB LEU 102 HB2 LEU 102 7.451 11.777 3.656 405 HG LEU 102 HG LEU 102 7.168 11.034 1.315 406 1HD1 LEU 102 HD23 LEU 102 5.098 12.424 0.841 407 2HD1 LEU 102 HD21 LEU 102 6.139 13.859 0.724 408 3HD1 LEU 102 HD22 LEU 102 6.394 12.479 -0.439 409 1HD2 LEU 102 HD11 LEU 102 8.635 13.669 1.610 410 2HD2 LEU 102 HD12 LEU 102 9.249 11.990 1.948 411 3HD2 LEU 102 HD13 LEU 102 8.811 12.470 0.271 412 H HIS 103 HN HSP 103 2.953 11.288 4.333 413 HA HIS 103 HA HSP 103 1.975 13.884 3.408 414 1HB HIS 103 HB1 HSP 103 0.666 11.562 4.898 415 2HB HIS 103 HB2 HSP 103 -0.153 13.142 4.596 416 HD1 HIS 103 HD1 HSP 103 -1.722 11.124 3.385 417 HD2 HIS 103 HD2 HSP 103 1.652 12.630 1.364 418 HE1 HIS 103 HE1 HSP 103 -2.061 10.709 0.927 419 HE2 HIS 103 HE2 HSP 103 -0.078 11.668 -0.282 420 H GLU 104 HN GLU 104 3.642 12.481 6.108 421 HA GLU 104 HA GLU 104 3.135 14.972 7.604 422 1HB GLU 104 HB1 GLU 104 3.274 12.232 8.966 423 2HB GLU 104 HB2 GLU 104 2.948 13.794 9.717 424 1HG GLU 104 HG1 GLU 104 0.795 12.924 9.647 425 2HG GLU 104 HG2 GLU 104 0.816 13.928 8.144 426 H HIS 105 HN HSP 105 5.351 13.809 5.793 427 HA HIS 105 HA HSP 105 7.453 14.032 7.786 428 1HB HIS 105 HB1 HSP 105 8.109 11.835 5.925 429 2HB HIS 105 HB2 HSP 105 8.392 11.970 7.674 430 HD1 HIS 105 HD1 HSP 105 5.748 11.605 8.907 431 HD2 HIS 105 HD2 HSP 105 6.494 9.893 5.158 432 HE1 HIS 105 HE1 HSP 105 3.965 9.845 8.520 433 HE2 HIS 105 HE2 HSP 105 4.387 8.921 6.206 434 H LYS 106 HN LYS 106 9.677 13.793 6.344 435 HA LYS 106 HA LYS 106 9.221 14.553 3.573 436 1HB LYS 106 HB1 LYS 106 9.201 16.724 4.743 437 2HB LYS 106 HB2 LYS 106 10.753 16.311 5.531 438 1HG LYS 106 HG1 LYS 106 11.972 16.565 3.536 439 2HG LYS 106 HG2 LYS 106 10.602 16.133 2.505 440 1HD LYS 106 HD1 LYS 106 9.477 18.378 3.338 441 2HD LYS 106 HD2 LYS 106 11.130 18.842 3.809 442 1HE LYS 106 HE1 LYS 106 11.873 18.479 1.416 443 2HE LYS 106 HE2 LYS 106 10.202 17.945 0.988 444 1HZ LYS 106 HZ1 LYS 106 10.961 20.595 2.096 445 2HZ LYS 106 HZ2 LYS 106 10.579 20.254 0.476 446 3HZ LYS 106 HZ3 LYS 106 9.396 20.096 1.683 447 H GLY 107 HN GLY 107 10.582 13.287 2.490 448 1HA GLY 107 HA2 GLY 107 12.484 12.239 1.931 449 2HA GLY 107 HA1 GLY 107 13.278 12.946 3.373 450 H LYS 108 HN LYS 108 10.255 11.140 3.844 451 HA LYS 108 HA LYS 108 11.582 8.673 4.497 452 1HB LYS 108 HB1 LYS 108 10.534 10.508 6.665 453 2HB LYS 108 HB2 LYS 108 10.678 8.733 6.827 454 1HG LYS 108 HG1 LYS 108 13.192 9.243 5.938 455 2HG LYS 108 HG2 LYS 108 12.868 10.815 6.676 456 1HD LYS 108 HD1 LYS 108 12.552 7.972 7.944 457 2HD LYS 108 HD2 LYS 108 14.002 8.969 8.139 458 1HE LYS 108 HE1 LYS 108 11.179 9.797 9.111 459 2HE LYS 108 HE2 LYS 108 12.458 9.048 10.149 460 1HZ LYS 108 HZ1 LYS 108 12.719 11.590 8.644 461 2HZ LYS 108 HZ2 LYS 108 12.429 11.432 10.313 462 3HZ LYS 108 HZ3 LYS 108 13.891 10.885 9.641 463 H LYS 109 HN LYS 109 10.037 7.078 4.417 464 HA LYS 109 HA LYS 109 7.259 7.962 4.047 465 1HB LYS 109 HB1 LYS 109 8.969 5.739 2.932 466 2HB LYS 109 HB2 LYS 109 7.675 5.191 3.338 467 1HG LYS 109 HG1 LYS 109 7.043 7.670 1.759 468 2HG LYS 109 HG2 LYS 109 8.641 7.209 1.248 469 1HD LYS 109 HD1 LYS 109 6.126 5.458 1.052 470 2HD LYS 109 HD2 LYS 109 6.883 6.257 -0.246 471 1HE LYS 109 HE1 LYS 109 8.396 4.175 1.474 472 2HE LYS 109 HE2 LYS 109 7.500 3.749 -0.035 473 1HZ LYS 109 HZ2 LYS 109 8.901 5.429 -1.161 474 2HZ LYS 109 HZ3 LYS 109 9.823 5.572 0.276 475 3HZ LYS 109 HZ1 LYS 109 9.736 4.092 -0.592 476 H ALA 110 HN ALA 110 5.739 6.513 5.097 477 HA ALA 110 HA ALA 110 6.797 5.972 7.816 478 1HB ALA 110 HB1 ALA 110 3.920 6.583 7.102 479 2HB ALA 110 HB2 ALA 110 4.478 5.841 8.666 480 3HB ALA 110 HB3 ALA 110 5.016 7.489 8.228 481 H ARG 111 HN ARG 111 6.995 3.748 8.290 482 HA ARG 111 HA ARG 111 6.236 2.099 6.009 483 1HB ARG 111 HB1 ARG 111 8.609 2.124 6.837 484 2HB ARG 111 HB2 ARG 111 8.020 1.579 8.412 485 1HG ARG 111 HG1 ARG 111 7.011 -0.147 6.248 486 2HG ARG 111 HG2 ARG 111 8.761 -0.077 6.246 487 1HD ARG 111 HD1 ARG 111 8.961 -0.884 8.500 488 2HD ARG 111 HD2 ARG 111 7.299 -0.412 8.900 489 HE ARG 111 HE ARG 111 6.417 -2.288 7.486 490 1HH1 ARG 111 HH22 ARG 111 9.852 -1.872 6.907 491 2HH1 ARG 111 HH21 ARG 111 9.990 -3.355 6.035 492 1HH2 ARG 111 HH12 ARG 111 6.722 -4.447 6.721 493 2HH2 ARG 111 HH11 ARG 111 8.192 -4.787 5.872 494 H LEU 112 HN LEU 112 5.010 0.361 6.249 495 HA LEU 112 HA LEU 112 3.259 0.482 8.646 496 1HB LEU 112 HB1 LEU 112 2.504 -0.298 5.793 497 2HB LEU 112 HB2 LEU 112 1.412 0.050 7.178 498 HG LEU 112 HG LEU 112 3.204 2.121 5.950 499 1HD1 LEU 112 HD12 LEU 112 1.402 1.223 4.371 500 2HD1 LEU 112 HD13 LEU 112 0.184 1.832 5.550 501 3HD1 LEU 112 HD11 LEU 112 1.319 2.987 4.745 502 1HD2 LEU 112 HD21 LEU 112 0.900 2.353 7.929 503 2HD2 LEU 112 HD22 LEU 112 2.634 2.681 8.237 504 3HD2 LEU 112 HD23 LEU 112 1.734 3.746 7.083 505 H ASP 113 HN ASP 113 1.607 -1.538 8.010 506 HA ASP 113 HA ASP 113 3.388 -3.856 8.378 507 1HB ASP 113 HB1 ASP 113 1.772 -3.202 10.298 508 2HB ASP 113 HB2 ASP 113 0.441 -3.697 9.183 509 H TRP 114 HN TRP 114 2.641 -5.850 7.246 510 HA TRP 114 HA TRP 114 1.345 -5.367 5.066 511 1HB TRP 114 HB1 TRP 114 2.743 -7.657 6.557 512 2HB TRP 114 HB2 TRP 114 1.534 -8.310 5.453 513 HD1 TRP 114 HD1 TRP 114 4.825 -8.585 4.889 514 HE1 TRP 114 HE1 TRP 114 5.863 -7.432 2.779 515 HE3 TRP 114 HE3 TRP 114 0.803 -6.356 3.648 516 HZ2 TRP 114 HZ2 TRP 114 4.590 -6.021 0.484 517 HZ3 TRP 114 HZ3 TRP 114 0.474 -5.410 1.330 518 HH2 TRP 114 HH2 TRP 114 2.277 -5.399 -0.218 519 H ASN 115 HN ASN 115 -0.030 -5.941 8.034 520 HA ASN 115 HA ASN 115 -2.583 -6.503 6.609 521 1HB ASN 115 HB1 ASN 115 -1.336 -7.824 8.827 522 2HB ASN 115 HB2 ASN 115 -2.343 -6.734 9.629 523 1HD2 ASN 115 HD21 ASN 115 -5.232 -8.836 8.982 524 2HD2 ASN 115 HD22 ASN 115 -4.509 -7.608 9.942 525 H THR 116 HN THR 116 -1.284 -4.038 6.698 526 HA THR 116 HA THR 116 -1.681 -2.885 9.043 527 HB THR 116 HB THR 116 -0.014 -2.242 7.054 528 HG1 THR 116 HG1 THR 116 -0.737 -0.539 9.176 529 1HG2 THR 116 HG22 THR 116 -2.262 -0.584 6.415 530 2HG2 THR 116 HG23 THR 116 -1.224 0.479 7.401 531 3HG2 THR 116 HG21 THR 116 -0.527 -0.287 5.926 532 H ASP 117 HN ASP 117 -4.058 -3.408 6.917 533 HA ASP 117 HA ASP 117 -6.287 -2.727 6.759 534 1HB ASP 117 HB1 ASP 117 -6.140 -2.699 9.195 535 2HB ASP 117 HB2 ASP 117 -5.553 -1.055 9.123 536 H ALA 118 HN ALA 118 -5.749 -1.902 4.643 537 HA ALA 118 HA ALA 118 -4.770 0.752 4.137 538 1HB ALA 118 HB1 ALA 118 -6.644 -1.259 2.675 539 2HB ALA 118 HB2 ALA 118 -5.774 0.140 1.892 540 3HB ALA 118 HB3 ALA 118 -4.864 -1.261 2.556 541 H ALA 119 HN ALA 119 -7.781 -0.493 5.396 542 HA ALA 119 HA ALA 119 -9.496 1.629 4.411 543 1HB ALA 119 HB1 ALA 119 -9.172 -0.787 6.321 544 2HB ALA 119 HB2 ALA 119 -10.526 0.362 6.734 545 3HB ALA 119 HB3 ALA 119 -10.511 -0.497 5.158 546 H SER 120 HN SER 120 -6.996 1.345 6.868 547 HA SER 120 HA SER 120 -8.162 3.590 8.373 548 1HB SER 120 HB1 SER 120 -5.723 1.821 8.826 549 2HB SER 120 HB2 SER 120 -6.066 3.323 9.780 550 HG SER 120 HG1 SER 120 -7.716 1.016 9.511 551 H LEU 121 HN LEU 121 -6.013 2.860 5.742 552 HA LEU 121 HA LEU 121 -4.709 5.526 5.986 553 1HB LEU 121 HB1 LEU 121 -4.039 3.327 3.972 554 2HB LEU 121 HB2 LEU 121 -3.121 4.735 4.319 555 HG LEU 121 HG LEU 121 -1.880 3.189 5.553 556 1HD1 LEU 121 HD22 LEU 121 -2.952 4.938 7.182 557 2HD1 LEU 121 HD23 LEU 121 -4.026 3.637 7.691 558 3HD1 LEU 121 HD21 LEU 121 -2.236 3.405 7.905 559 1HD2 LEU 121 HD12 LEU 121 -4.522 1.745 5.803 560 2HD2 LEU 121 HD13 LEU 121 -2.924 1.124 5.250 561 3HD2 LEU 121 HD11 LEU 121 -3.245 1.405 7.030 562 H ILE 122 HN ILE 122 -7.189 3.999 4.878 563 HA ILE 122 HA ILE 122 -7.692 4.640 2.419 564 HB ILE 122 HB ILE 122 -9.412 3.782 4.240 565 1HG1 ILE 122 HG11 ILE 122 -11.232 4.088 2.406 566 2HG1 ILE 122 HG12 ILE 122 -9.778 4.561 1.416 567 1HG2 ILE 122 HG23 ILE 122 -10.001 6.015 5.145 568 2HG2 ILE 122 HG21 ILE 122 -10.624 6.472 3.492 569 3HG2 ILE 122 HG22 ILE 122 -11.412 5.154 4.394 570 1HD1 ILE 122 HD3 ILE 122 -8.730 2.362 2.414 571 2HD1 ILE 122 HD1 ILE 122 -10.523 1.888 2.335 572 3HD1 ILE 122 HD2 ILE 122 -9.677 2.439 0.890 573 H GLY 123 HN GLY 123 -8.314 6.238 1.133 574 1HA GLY 123 HA2 GLY 123 -8.303 8.342 0.285 575 2HA GLY 123 HA1 GLY 123 -8.671 8.898 1.953 576 H GLU 124 HN GLU 124 -5.701 7.103 0.956 577 HA GLU 124 HA GLU 124 -4.162 9.602 1.315 578 1HB GLU 124 HB1 GLU 124 -3.416 6.857 2.415 579 2HB GLU 124 HB2 GLU 124 -2.485 8.349 2.568 580 1HG GLU 124 HG1 GLU 124 -5.358 8.310 3.653 581 2HG GLU 124 HG2 GLU 124 -4.144 7.351 4.497 582 H GLU 125 HN GLU 125 -1.724 8.471 0.942 583 HA GLU 125 HA GLU 125 -1.898 7.082 -1.667 584 1HB GLU 125 HB1 GLU 125 0.131 9.217 -0.847 585 2HB GLU 125 HB2 GLU 125 0.462 8.012 -2.108 586 1HG GLU 125 HG1 GLU 125 -0.842 8.804 -3.710 587 2HG GLU 125 HG2 GLU 125 -2.117 9.321 -2.601 588 H LEU 126 HN LEU 126 -0.859 5.162 -1.520 589 HA LEU 126 HA LEU 126 1.244 5.018 0.403 590 1HB LEU 126 HB1 LEU 126 -0.829 2.995 -0.567 591 2HB LEU 126 HB2 LEU 126 0.695 2.355 -0.001 592 HG LEU 126 HG LEU 126 0.016 4.212 2.016 593 1HD1 LEU 126 HD21 LEU 126 -1.969 4.819 1.323 594 2HD1 LEU 126 HD22 LEU 126 -2.564 3.077 1.246 595 3HD1 LEU 126 HD23 LEU 126 -2.092 3.890 2.807 596 1HD2 LEU 126 HD11 LEU 126 -0.590 1.168 1.886 597 2HD2 LEU 126 HD12 LEU 126 0.980 1.904 2.401 598 3HD2 LEU 126 HD13 LEU 126 -0.527 2.145 3.390 599 H GLN 127 HN GLN 127 2.945 3.301 -0.008 600 HA GLN 127 HA GLN 127 3.564 3.128 -2.868 601 1HB GLN 127 HB1 GLN 127 4.676 5.290 -1.746 602 2HB GLN 127 HB2 GLN 127 5.715 4.121 -0.954 603 1HG GLN 127 HG1 GLN 127 5.699 3.399 -3.778 604 2HG GLN 127 HG2 GLN 127 5.709 5.251 -3.706 605 1HE2 GLN 127 HE21 GLN 127 9.133 3.461 -2.642 606 2HE2 GLN 127 HE22 GLN 127 7.767 2.494 -3.107 607 H VAL 128 HN VAL 128 5.194 1.452 -3.239 608 HA VAL 128 HA VAL 128 5.667 -0.198 -0.821 609 HB VAL 128 HB VAL 128 5.012 -1.064 -3.645 610 1HG1 VAL 128 HG12 VAL 128 6.230 -2.739 -1.355 611 2HG1 VAL 128 HG13 VAL 128 5.540 -3.397 -2.889 612 3HG1 VAL 128 HG11 VAL 128 7.012 -2.383 -2.963 613 1HG2 VAL 128 HG23 VAL 128 3.116 -0.818 -2.025 614 2HG2 VAL 128 HG21 VAL 128 3.378 -2.494 -2.627 615 3HG2 VAL 128 HG22 VAL 128 3.913 -2.038 -0.951 616 H ASP 129 HN ASP 129 7.768 -0.968 -0.552 617 HA ASP 129 HA ASP 129 9.682 -0.121 -2.596 618 1HB ASP 129 HB1 ASP 129 9.224 1.352 -0.155 619 2HB ASP 129 HB2 ASP 129 10.649 0.344 0.218 620 H PHE 130 HN PHE 130 12.000 -0.797 -0.994 621 HA PHE 130 HA PHE 130 11.864 -3.605 -1.199 622 1HB PHE 130 HB1 PHE 130 14.096 -3.300 0.338 623 2HB PHE 130 HB2 PHE 130 14.085 -3.039 -1.433 624 HD1 PHE 130 HD1 PHE 130 13.386 -1.242 1.823 625 HD2 PHE 130 HD2 PHE 130 14.677 -0.864 -2.242 626 HE1 PHE 130 HE1 PHE 130 13.930 1.112 2.199 627 HE2 PHE 130 HE2 PHE 130 15.230 1.479 -1.839 628 HZ PHE 130 HZ PHE 130 14.856 2.482 0.375 629 H LEU 131 HN LEU 131 12.382 -5.055 0.692 630 HA LEU 131 HA LEU 131 10.415 -4.830 2.401 631 1HB LEU 131 HB1 LEU 131 12.052 -6.614 3.828 632 2HB LEU 131 HB2 LEU 131 11.014 -7.087 2.399 633 HG LEU 131 HG LEU 131 12.916 -6.700 0.878 634 1HD1 LEU 131 HD21 LEU 131 14.454 -6.178 3.494 635 2HD1 LEU 131 HD22 LEU 131 15.246 -6.711 1.962 636 3HD1 LEU 131 HD23 LEU 131 14.385 -5.150 1.993 637 1HD2 LEU 131 HD11 LEU 131 12.397 -8.950 1.711 638 2HD2 LEU 131 HD12 LEU 131 14.151 -8.692 1.373 639 3HD2 LEU 131 HD13 LEU 131 13.549 -8.704 3.077 640 H ASP 132 HN ASP 132 13.464 -3.594 2.710 641 HA ASP 132 HA ASP 132 13.594 -3.264 5.497 642 1HB ASP 132 HB1 ASP 132 14.876 -1.294 3.527 643 2HB ASP 132 HB2 ASP 132 15.401 -1.673 5.223 No H/Q in entry = 643 Start of MODEL 10 1 1H SER 55 HT3 SER 55 -13.825 7.551 3.325 2 2H SER 55 HT2 SER 55 -12.163 7.692 3.522 3 3H SER 55 HT1 SER 55 -13.045 9.004 2.879 4 HA SER 55 HA SER 55 -13.505 7.872 0.912 5 1HB SER 55 HB1 SER 55 -11.070 8.818 1.361 6 2HB SER 55 HB2 SER 55 -10.592 7.093 1.515 7 HG SER 55 HG1 SER 55 -11.610 8.525 -0.695 8 H ASN 56 HN ASN 56 -12.408 5.864 -0.419 9 HA ASN 56 HA ASN 56 -12.290 3.473 1.220 10 1HB ASN 56 HB1 ASN 56 -14.750 3.759 0.651 11 2HB ASN 56 HB2 ASN 56 -14.283 3.558 -1.078 12 1HD2 ASN 56 HD21 ASN 56 -14.196 -0.015 -0.575 13 2HD2 ASN 56 HD22 ASN 56 -14.304 1.328 -1.665 14 H THR 57 HN THR 57 -10.616 5.343 -0.457 15 HA THR 57 HA THR 57 -9.712 3.333 -2.419 16 HB THR 57 HB THR 57 -9.343 5.017 -4.121 17 HG1 THR 57 HG1 THR 57 -10.451 6.764 -2.154 18 1HG2 THR 57 HG23 THR 57 -11.709 4.073 -4.030 19 2HG2 THR 57 HG21 THR 57 -12.193 5.500 -3.038 20 3HG2 THR 57 HG22 THR 57 -11.607 5.736 -4.727 21 H ILE 58 HN ILE 58 -7.475 3.157 -2.495 22 HA ILE 58 HA ILE 58 -5.987 5.384 -1.388 23 HB ILE 58 HB ILE 58 -4.734 2.826 -0.600 24 1HG1 ILE 58 HG11 ILE 58 -6.065 2.826 1.611 25 2HG1 ILE 58 HG12 ILE 58 -7.365 3.604 0.700 26 1HG2 ILE 58 HG22 ILE 58 -5.110 5.534 0.782 27 2HG2 ILE 58 HG23 ILE 58 -4.296 4.131 1.512 28 3HG2 ILE 58 HG21 ILE 58 -3.633 4.869 -0.011 29 1HD1 ILE 58 HD2 ILE 58 -5.961 0.962 -0.141 30 2HD1 ILE 58 HD3 ILE 58 -7.442 1.030 0.876 31 3HD1 ILE 58 HD1 ILE 58 -7.496 1.640 -0.823 32 H ARG 59 HN ARG 59 -3.645 5.303 -2.202 33 HA ARG 59 HA ARG 59 -3.741 3.930 -4.805 34 1HB ARG 59 HB1 ARG 59 -2.269 6.414 -3.852 35 2HB ARG 59 HB2 ARG 59 -2.130 5.680 -5.469 36 1HG ARG 59 HG1 ARG 59 -3.978 6.674 -6.202 37 2HG ARG 59 HG2 ARG 59 -4.947 5.987 -4.984 38 1HD ARG 59 HD1 ARG 59 -3.992 7.892 -3.348 39 2HD ARG 59 HD2 ARG 59 -3.547 8.717 -4.890 40 HE ARG 59 HE ARG 59 -5.938 8.606 -5.590 41 1HH1 ARG 59 HH22 ARG 59 -5.523 7.479 -2.267 42 2HH1 ARG 59 HH21 ARG 59 -7.186 7.006 -2.156 43 1HH2 ARG 59 HH12 ARG 59 -8.141 8.682 -5.057 44 2HH2 ARG 59 HH11 ARG 59 -8.683 7.731 -3.712 45 H VAL 60 HN VAL 60 -1.890 2.889 -5.534 46 HA VAL 60 HA VAL 60 0.080 2.322 -3.370 47 HB VAL 60 HB VAL 60 -0.662 0.288 -5.475 48 1HG1 VAL 60 HG11 VAL 60 1.558 0.123 -4.303 49 2HG1 VAL 60 HG12 VAL 60 0.677 -0.075 -2.755 50 3HG1 VAL 60 HG13 VAL 60 0.458 -1.296 -4.083 51 1HG2 VAL 60 HG21 VAL 60 -1.860 0.453 -2.659 52 2HG2 VAL 60 HG22 VAL 60 -2.744 0.642 -4.225 53 3HG2 VAL 60 HG23 VAL 60 -1.993 -0.940 -3.807 54 H PHE 61 HN PHE 61 1.868 3.347 -3.978 55 HA PHE 61 HA PHE 61 2.479 3.575 -6.850 56 1HB PHE 61 HB1 PHE 61 3.476 4.919 -4.320 57 2HB PHE 61 HB2 PHE 61 4.471 4.946 -5.886 58 HD1 PHE 61 HD1 PHE 61 0.921 5.423 -4.617 59 HD2 PHE 61 HD2 PHE 61 4.023 6.801 -7.228 60 HE1 PHE 61 HE1 PHE 61 -0.430 7.357 -5.220 61 HE2 PHE 61 HE2 PHE 61 2.681 8.778 -7.754 62 HZ PHE 61 HZ PHE 61 0.481 9.095 -6.684 63 H LEU 62 HN LEU 62 4.374 2.545 -7.773 64 HA LEU 62 HA LEU 62 5.043 0.373 -6.012 65 1HB LEU 62 HB1 LEU 62 4.940 0.867 -9.017 66 2HB LEU 62 HB2 LEU 62 6.205 -0.273 -8.502 67 HG LEU 62 HG LEU 62 4.466 -1.644 -7.286 68 1HD1 LEU 62 HD12 LEU 62 2.477 0.180 -8.674 69 2HD1 LEU 62 HD13 LEU 62 2.119 -1.428 -7.913 70 3HD1 LEU 62 HD11 LEU 62 2.713 -0.076 -6.896 71 1HD2 LEU 62 HD22 LEU 62 5.483 -2.372 -9.232 72 2HD2 LEU 62 HD23 LEU 62 3.757 -2.850 -9.139 73 3HD2 LEU 62 HD21 LEU 62 4.262 -1.496 -10.255 74 HA PRO 63 HA PRO 63 9.127 1.515 -5.721 75 1HB PRO 63 HB1 PRO 63 10.100 -1.174 -6.516 76 2HB PRO 63 HB2 PRO 63 10.366 -0.306 -5.028 77 1HG PRO 63 HG1 PRO 63 8.683 -2.463 -5.297 78 2HG PRO 63 HG2 PRO 63 8.402 -1.258 -4.112 79 1HD PRO 63 HD1 PRO 63 6.683 -1.723 -6.378 80 2HD PRO 63 HD2 PRO 63 6.442 -0.713 -5.144 81 H ASN 64 HN ASN 64 7.949 0.021 -8.680 82 HA ASN 64 HA ASN 64 10.271 0.851 -10.191 83 1HB ASN 64 HB1 ASN 64 7.488 0.108 -11.251 84 2HB ASN 64 HB2 ASN 64 9.046 0.136 -12.168 85 1HD2 ASN 64 HD21 ASN 64 10.001 -3.117 -11.058 86 2HD2 ASN 64 HD22 ASN 64 10.354 -1.735 -12.039 87 H LYS 65 HN LYS 65 8.308 2.641 -8.437 88 HA LYS 65 HA LYS 65 7.820 4.765 -8.491 89 1HB LYS 65 HB1 LYS 65 8.650 5.041 -11.409 90 2HB LYS 65 HB2 LYS 65 8.497 6.325 -10.183 91 1HG LYS 65 HG1 LYS 65 10.534 4.018 -10.054 92 2HG LYS 65 HG2 LYS 65 10.881 5.616 -10.735 93 1HD LYS 65 HD1 LYS 65 11.561 6.214 -8.644 94 2HD LYS 65 HD2 LYS 65 9.834 6.310 -8.222 95 1HE LYS 65 HE1 LYS 65 9.901 3.921 -7.418 96 2HE LYS 65 HE2 LYS 65 11.656 3.833 -7.868 97 1HZ LYS 65 HZ3 LYS 65 12.044 5.664 -6.355 98 2HZ LYS 65 HZ1 LYS 65 10.400 5.689 -5.923 99 3HZ LYS 65 HZ2 LYS 65 11.351 4.331 -5.566 100 H GLN 66 HN GLN 66 6.487 2.413 -10.305 101 HA GLN 66 HA GLN 66 4.512 3.886 -11.473 102 1HB GLN 66 HB1 GLN 66 5.159 1.026 -11.234 103 2HB GLN 66 HB2 GLN 66 3.441 1.216 -11.078 104 1HG GLN 66 HG1 GLN 66 5.095 2.560 -13.344 105 2HG GLN 66 HG2 GLN 66 4.681 0.855 -13.422 106 1HE2 GLN 66 HE21 GLN 66 1.205 1.596 -14.214 107 2HE2 GLN 66 HE22 GLN 66 2.482 0.452 -14.222 108 H ARG 67 HN ARG 67 1.990 2.935 -11.062 109 HA ARG 67 HA ARG 67 1.498 2.836 -8.300 110 1HB ARG 67 HB1 ARG 67 0.070 4.993 -8.337 111 2HB ARG 67 HB2 ARG 67 1.818 5.247 -8.318 112 1HG ARG 67 HG1 ARG 67 0.482 5.050 -11.040 113 2HG ARG 67 HG2 ARG 67 0.066 6.437 -10.064 114 1HD ARG 67 HD1 ARG 67 2.013 7.506 -10.477 115 2HD ARG 67 HD2 ARG 67 2.970 6.100 -9.897 116 HE ARG 67 HE ARG 67 2.456 5.046 -12.255 117 1HH1 ARG 67 HH22 ARG 67 4.032 7.861 -11.123 118 2HH1 ARG 67 HH21 ARG 67 4.969 8.044 -12.561 119 1HH2 ARG 67 HH12 ARG 67 3.401 5.396 -14.268 120 2HH2 ARG 67 HH11 ARG 67 4.640 6.608 -14.348 121 H THR 68 HN THR 68 -0.957 3.039 -7.906 122 HA THR 68 HA THR 68 -2.695 2.978 -10.101 123 HB THR 68 HB THR 68 -1.860 0.638 -10.463 124 HG1 THR 68 HG1 THR 68 -4.013 -0.293 -10.056 125 1HG2 THR 68 HG23 THR 68 -1.320 0.135 -7.995 126 2HG2 THR 68 HG21 THR 68 -3.097 0.011 -7.707 127 3HG2 THR 68 HG22 THR 68 -2.300 -1.134 -8.844 128 H VAL 69 HN VAL 69 -5.013 2.309 -9.154 129 HA VAL 69 HA VAL 69 -5.005 3.274 -6.349 130 HB VAL 69 HB VAL 69 -6.105 4.958 -7.489 131 1HG1 VAL 69 HG13 VAL 69 -7.736 2.822 -8.991 132 2HG1 VAL 69 HG11 VAL 69 -7.995 4.606 -9.063 133 3HG1 VAL 69 HG12 VAL 69 -6.468 3.904 -9.703 134 1HG2 VAL 69 HG22 VAL 69 -7.162 4.238 -5.425 135 2HG2 VAL 69 HG23 VAL 69 -8.268 5.029 -6.606 136 3HG2 VAL 69 HG21 VAL 69 -8.327 3.243 -6.402 137 H VAL 70 HN VAL 70 -6.159 2.084 -4.876 138 HA VAL 70 HA VAL 70 -7.421 -0.378 -5.940 139 HB VAL 70 HB VAL 70 -6.661 -1.602 -3.961 140 1HG1 VAL 70 HG11 VAL 70 -5.376 -1.837 -6.058 141 2HG1 VAL 70 HG12 VAL 70 -4.331 -0.451 -5.575 142 3HG1 VAL 70 HG13 VAL 70 -4.329 -1.974 -4.590 143 1HG2 VAL 70 HG23 VAL 70 -4.897 0.830 -3.363 144 2HG2 VAL 70 HG21 VAL 70 -6.281 0.213 -2.365 145 3HG2 VAL 70 HG22 VAL 70 -4.796 -0.787 -2.576 146 H ASN 71 HN ASN 71 -9.066 -1.233 -4.444 147 HA ASN 71 HA ASN 71 -10.256 0.947 -2.827 148 1HB ASN 71 HB1 ASN 71 -11.654 -1.051 -4.701 149 2HB ASN 71 HB2 ASN 71 -12.507 -0.166 -3.367 150 1HD2 ASN 71 HD21 ASN 71 -11.153 1.986 -6.655 151 2HD2 ASN 71 HD22 ASN 71 -10.408 0.472 -6.266 152 H VAL 72 HN VAL 72 -11.389 0.131 -0.930 153 HA VAL 72 HA VAL 72 -10.352 -2.523 -0.142 154 HB VAL 72 HB VAL 72 -11.621 -0.400 1.604 155 1HG1 VAL 72 HG13 VAL 72 -11.751 -2.782 2.480 156 2HG1 VAL 72 HG11 VAL 72 -9.921 -2.861 2.355 157 3HG1 VAL 72 HG12 VAL 72 -10.708 -1.705 3.464 158 1HG2 VAL 72 HG23 VAL 72 -8.653 -1.126 1.227 159 2HG2 VAL 72 HG21 VAL 72 -9.438 0.407 0.726 160 3HG2 VAL 72 HG22 VAL 72 -9.329 -0.033 2.488 161 H ARG 73 HN ARG 73 -11.772 -4.225 0.136 162 HA ARG 73 HA ARG 73 -14.518 -3.727 -0.708 163 1HB ARG 73 HB1 ARG 73 -13.122 -5.570 -1.701 164 2HB ARG 73 HB2 ARG 73 -13.087 -6.349 -0.165 165 1HG ARG 73 HG1 ARG 73 -14.949 -7.347 -1.423 166 2HG ARG 73 HG2 ARG 73 -15.813 -6.185 -0.388 167 1HD ARG 73 HD1 ARG 73 -15.786 -4.501 -2.279 168 2HD ARG 73 HD2 ARG 73 -14.986 -5.753 -3.328 169 HE ARG 73 HE ARG 73 -17.068 -7.214 -2.708 170 1HH1 ARG 73 HH22 ARG 73 -16.673 -4.076 -4.065 171 2HH1 ARG 73 HH21 ARG 73 -18.149 -4.176 -4.966 172 1HH2 ARG 73 HH12 ARG 73 -19.288 -7.085 -3.363 173 2HH2 ARG 73 HH11 ARG 73 -19.617 -5.922 -4.599 174 H ASN 74 HN ASN 74 -14.611 -6.416 1.137 175 HA ASN 74 HA ASN 74 -15.921 -5.094 3.201 176 1HB ASN 74 HB1 ASN 74 -15.024 -8.038 2.899 177 2HB ASN 74 HB2 ASN 74 -16.012 -7.479 4.280 178 1HD2 ASN 74 HD21 ASN 74 -18.985 -6.987 2.218 179 2HD2 ASN 74 HD22 ASN 74 -18.203 -6.509 3.686 180 H GLY 75 HN GLY 75 -12.768 -5.429 2.666 181 1HA GLY 75 HA2 GLY 75 -11.613 -4.232 4.521 182 2HA GLY 75 HA1 GLY 75 -11.988 -5.678 5.517 183 H MET 76 HN MET 76 -10.367 -4.696 2.388 184 HA MET 76 HA MET 76 -8.814 -7.038 2.432 185 1HB MET 76 HB1 MET 76 -8.667 -4.354 0.941 186 2HB MET 76 HB2 MET 76 -7.336 -5.386 0.856 187 1HG MET 76 HG1 MET 76 -8.184 -6.787 -0.648 188 2HG MET 76 HG2 MET 76 -9.561 -7.176 0.337 189 1HE MET 76 HE3 MET 76 -8.678 -6.183 -3.047 190 2HE MET 76 HE1 MET 76 -9.401 -4.596 -3.460 191 3HE MET 76 HE2 MET 76 -7.989 -4.664 -2.367 192 H SER 77 HN SER 77 -6.629 -7.293 2.932 193 HA SER 77 HA SER 77 -5.579 -5.389 4.952 194 1HB SER 77 HB1 SER 77 -4.206 -7.836 3.853 195 2HB SER 77 HB2 SER 77 -3.930 -7.050 5.328 196 HG SER 77 HG1 SER 77 -5.839 -8.941 4.502 197 H LEU 78 HN LEU 78 -3.355 -4.717 4.735 198 HA LEU 78 HA LEU 78 -2.552 -3.647 2.456 199 1HB LEU 78 HB1 LEU 78 -1.185 -4.699 4.886 200 2HB LEU 78 HB2 LEU 78 -0.095 -4.479 3.459 201 HG LEU 78 HG LEU 78 -0.108 -2.538 4.927 202 1HD1 LEU 78 HD21 LEU 78 0.007 -2.540 2.227 203 2HD1 LEU 78 HD22 LEU 78 -1.515 -1.676 2.397 204 3HD1 LEU 78 HD23 LEU 78 -0.224 -0.912 3.246 205 1HD2 LEU 78 HD12 LEU 78 -2.952 -2.222 3.809 206 2HD2 LEU 78 HD13 LEU 78 -2.522 -2.407 5.513 207 3HD2 LEU 78 HD11 LEU 78 -2.023 -0.901 4.484 208 H HIS 79 HN HSP 79 -1.343 -6.847 3.480 209 HA HIS 79 HA HSP 79 -0.209 -7.596 1.230 210 1HB HIS 79 HB1 HSP 79 -1.916 -9.209 3.259 211 2HB HIS 79 HB2 HSP 79 -1.187 -10.050 1.884 212 HD1 HIS 79 HD1 HSP 79 -0.526 -9.826 5.211 213 HD2 HIS 79 HD2 HSP 79 1.939 -9.117 1.899 214 HE1 HIS 79 HE1 HSP 79 1.888 -10.378 5.779 215 HE2 HIS 79 HE2 HSP 79 3.094 -10.610 3.571 216 H ASP 80 HN ASP 80 -3.732 -8.244 1.941 217 HA ASP 80 HA ASP 80 -4.033 -9.570 -0.576 218 1HB ASP 80 HB1 ASP 80 -6.271 -8.313 1.136 219 2HB ASP 80 HB2 ASP 80 -6.410 -9.705 0.008 220 H CYS 81 HN CYS 81 -4.235 -6.306 0.648 221 HA CYS 81 HA CYS 81 -5.886 -5.384 -1.505 222 1HB CYS 81 HB1 CYS 81 -5.413 -4.630 1.153 223 2HB CYS 81 HB2 CYS 81 -4.340 -3.532 0.360 224 HG1 CYS 81 HG1 CYS 81 -5.954 -2.644 -1.562 225 H LEU 82 HN LEU 82 -2.508 -5.692 -0.846 226 HA LEU 82 HA LEU 82 -1.767 -3.950 -3.115 227 1HB LEU 82 HB1 LEU 82 -0.319 -5.542 -0.893 228 2HB LEU 82 HB2 LEU 82 0.584 -4.955 -2.175 229 HG LEU 82 HG LEU 82 -0.313 -3.742 0.242 230 1HD1 LEU 82 HD11 LEU 82 0.944 -2.464 -2.326 231 2HD1 LEU 82 HD12 LEU 82 0.669 -1.462 -0.853 232 3HD1 LEU 82 HD13 LEU 82 1.817 -2.844 -0.787 233 1HD2 LEU 82 HD22 LEU 82 -1.856 -2.432 -1.950 234 2HD2 LEU 82 HD23 LEU 82 -2.388 -3.152 -0.382 235 3HD2 LEU 82 HD21 LEU 82 -1.439 -1.635 -0.351 236 H MET 83 HN MET 83 -1.606 -7.244 -1.916 237 HA MET 83 HA MET 83 -0.326 -8.602 -3.949 238 1HB MET 83 HB1 MET 83 -1.409 -9.730 -2.010 239 2HB MET 83 HB2 MET 83 -2.987 -9.029 -2.436 240 1HG MET 83 HG1 MET 83 -3.254 -10.337 -4.362 241 2HG MET 83 HG2 MET 83 -1.563 -10.913 -4.293 242 1HE MET 83 HE2 MET 83 -0.647 -12.746 -2.733 243 2HE MET 83 HE3 MET 83 -0.914 -11.705 -1.292 244 3HE MET 83 HE1 MET 83 -1.464 -13.407 -1.280 245 H LYS 84 HN LYS 84 -3.766 -7.286 -3.919 246 HA LYS 84 HA LYS 84 -4.507 -7.818 -6.279 247 1HB LYS 84 HB1 LYS 84 -5.473 -6.309 -4.334 248 2HB LYS 84 HB2 LYS 84 -4.244 -5.091 -4.713 249 1HG LYS 84 HG1 LYS 84 -6.721 -4.835 -5.516 250 2HG LYS 84 HG2 LYS 84 -5.375 -4.385 -6.601 251 1HD LYS 84 HD1 LYS 84 -5.504 -6.373 -7.869 252 2HD LYS 84 HD2 LYS 84 -6.404 -7.202 -6.690 253 1HE LYS 84 HE1 LYS 84 -8.010 -6.592 -8.543 254 2HE LYS 84 HE2 LYS 84 -8.441 -5.566 -7.117 255 1HZ LYS 84 HZ2 LYS 84 -6.699 -4.779 -9.391 256 2HZ LYS 84 HZ3 LYS 84 -8.314 -4.308 -9.148 257 3HZ LYS 84 HZ1 LYS 84 -7.105 -3.809 -8.063 258 H ALA 85 HN ALA 85 -2.573 -4.917 -5.515 259 HA ALA 85 HA ALA 85 -2.452 -4.342 -8.287 260 1HB ALA 85 HB1 ALA 85 -2.520 -2.773 -6.051 261 2HB ALA 85 HB2 ALA 85 -0.815 -3.352 -5.719 262 3HB ALA 85 HB3 ALA 85 -1.133 -2.277 -7.119 263 H LEU 86 HN LEU 86 -0.654 -6.526 -6.771 264 HA LEU 86 HA LEU 86 1.741 -6.034 -8.523 265 1HB LEU 86 HB1 LEU 86 1.462 -7.576 -5.900 266 2HB LEU 86 HB2 LEU 86 2.913 -7.217 -6.654 267 HG LEU 86 HG LEU 86 1.011 -4.923 -5.835 268 1HD1 LEU 86 HD22 LEU 86 1.281 -6.402 -3.988 269 2HD1 LEU 86 HD23 LEU 86 2.996 -5.819 -3.874 270 3HD1 LEU 86 HD21 LEU 86 1.553 -4.669 -3.787 271 1HD2 LEU 86 HD13 LEU 86 2.801 -4.382 -7.433 272 2HD2 LEU 86 HD11 LEU 86 2.797 -3.434 -5.914 273 3HD2 LEU 86 HD12 LEU 86 4.011 -4.785 -6.149 274 H LYS 87 HN LYS 87 -0.303 -8.453 -6.908 275 HA LYS 87 HA LYS 87 0.367 -10.592 -8.367 276 1HB LYS 87 HB1 LYS 87 -1.813 -10.090 -6.748 277 2HB LYS 87 HB2 LYS 87 -2.654 -9.777 -8.264 278 1HG LYS 87 HG1 LYS 87 -0.964 -12.309 -7.746 279 2HG LYS 87 HG2 LYS 87 -2.359 -12.011 -6.718 280 1HD LYS 87 HD1 LYS 87 -3.852 -11.926 -8.796 281 2HD LYS 87 HD2 LYS 87 -2.423 -12.224 -9.809 282 1HE LYS 87 HE1 LYS 87 -2.100 -14.473 -8.712 283 2HE LYS 87 HE2 LYS 87 -3.568 -14.169 -7.695 284 1HZ LYS 87 HZ1 LYS 87 -3.469 -14.227 -10.661 285 2HZ LYS 87 HZ2 LYS 87 -4.057 -15.456 -9.648 286 3HZ LYS 87 HZ3 LYS 87 -4.846 -13.952 -9.708 287 H VAL 88 HN VAL 88 -1.946 -8.127 -9.373 288 HA VAL 88 HA VAL 88 -2.511 -8.949 -11.911 289 HB VAL 88 HB VAL 88 -1.911 -6.086 -10.933 290 1HG1 VAL 88 HG12 VAL 88 -3.259 -6.904 -13.558 291 2HG1 VAL 88 HG13 VAL 88 -3.289 -5.246 -12.815 292 3HG1 VAL 88 HG11 VAL 88 -1.729 -5.944 -13.325 293 1HG2 VAL 88 HG22 VAL 88 -3.908 -7.587 -9.989 294 2HG2 VAL 88 HG23 VAL 88 -4.031 -5.811 -10.270 295 3HG2 VAL 88 HG21 VAL 88 -4.715 -6.987 -11.481 296 H ARG 89 HN ARG 89 0.398 -7.313 -10.785 297 HA ARG 89 HA ARG 89 1.481 -7.005 -13.404 298 1HB ARG 89 HB1 ARG 89 2.746 -6.684 -10.618 299 2HB ARG 89 HB2 ARG 89 3.269 -5.880 -12.072 300 1HG ARG 89 HG1 ARG 89 0.486 -5.215 -11.804 301 2HG ARG 89 HG2 ARG 89 0.945 -5.355 -10.190 302 1HD ARG 89 HD1 ARG 89 2.981 -3.698 -10.871 303 2HD ARG 89 HD2 ARG 89 2.081 -3.524 -12.435 304 HE ARG 89 HE ARG 89 0.728 -2.980 -9.761 305 1HH1 ARG 89 HH22 ARG 89 2.578 -1.621 -12.366 306 2HH1 ARG 89 HH21 ARG 89 2.031 -0.003 -12.063 307 1HH2 ARG 89 HH12 ARG 89 -0.335 -0.930 -9.647 308 2HH2 ARG 89 HH11 ARG 89 0.383 0.393 -10.505 309 H GLY 90 HN GLY 90 2.041 -9.084 -10.559 310 1HA GLY 90 HA2 GLY 90 2.821 -11.279 -10.819 311 2HA GLY 90 HA1 GLY 90 3.772 -10.816 -12.264 312 H LEU 91 HN LEU 91 3.467 -8.900 -9.259 313 HA LEU 91 HA LEU 91 6.384 -9.149 -8.971 314 1HB LEU 91 HB1 LEU 91 4.345 -7.099 -7.956 315 2HB LEU 91 HB2 LEU 91 6.054 -7.119 -7.463 316 HG LEU 91 HG LEU 91 4.782 -6.349 -10.100 317 1HD1 LEU 91 HD23 LEU 91 5.527 -4.622 -8.484 318 2HD1 LEU 91 HD21 LEU 91 7.213 -5.254 -8.597 319 3HD1 LEU 91 HD22 LEU 91 6.416 -4.549 -10.057 320 1HD2 LEU 91 HD12 LEU 91 7.564 -7.589 -9.943 321 2HD2 LEU 91 HD13 LEU 91 6.153 -8.105 -10.948 322 3HD2 LEU 91 HD11 LEU 91 6.960 -6.530 -11.292 323 H GLN 92 HN GLN 92 7.096 -8.855 -6.581 324 HA GLN 92 HA GLN 92 5.493 -10.745 -4.952 325 1HB GLN 92 HB1 GLN 92 8.393 -9.972 -4.555 326 2HB GLN 92 HB2 GLN 92 7.502 -11.319 -3.817 327 1HG GLN 92 HG1 GLN 92 8.083 -10.988 -6.870 328 2HG GLN 92 HG2 GLN 92 9.180 -11.782 -5.781 329 1HE2 GLN 92 HE21 GLN 92 5.533 -13.736 -6.348 330 2HE2 GLN 92 HE22 GLN 92 5.569 -12.019 -6.475 331 HA PRO 93 HA PRO 93 5.225 -7.087 -2.559 332 1HB PRO 93 HB1 PRO 93 3.227 -8.367 -0.898 333 2HB PRO 93 HB2 PRO 93 3.027 -7.034 -2.004 334 1HG PRO 93 HG1 PRO 93 1.976 -9.579 -2.374 335 2HG PRO 93 HG2 PRO 93 2.269 -8.449 -3.689 336 1HD PRO 93 HD1 PRO 93 3.849 -10.838 -2.976 337 2HD PRO 93 HD2 PRO 93 3.682 -10.026 -4.516 338 H GLU 94 HN GLU 94 5.576 -10.460 -1.477 339 HA GLU 94 HA GLU 94 5.938 -9.775 1.244 340 1HB GLU 94 HB1 GLU 94 6.902 -12.311 -0.189 341 2HB GLU 94 HB2 GLU 94 6.704 -12.107 1.572 342 1HG GLU 94 HG1 GLU 94 4.500 -12.249 -0.578 343 2HG GLU 94 HG2 GLU 94 4.780 -13.349 0.830 344 H CYS 95 HN CYS 95 7.950 -9.447 -1.519 345 HA CYS 95 HA CYS 95 10.399 -9.598 0.103 346 1HB CYS 95 HB1 CYS 95 9.895 -9.199 -2.888 347 2HB CYS 95 HB2 CYS 95 11.501 -9.129 -2.130 348 HG1 CYS 95 HG1 CYS 95 9.356 -11.628 -1.679 349 H CYS 96 HN CYS 96 7.989 -7.423 -0.165 350 HA CYS 96 HA CYS 96 9.841 -5.123 -0.454 351 1HB CYS 96 HB1 CYS 96 6.879 -5.403 -1.173 352 2HB CYS 96 HB2 CYS 96 7.773 -3.937 -1.260 353 HG1 CYS 96 HG1 CYS 96 7.884 -6.582 -3.153 354 H ALA 97 HN ALA 97 8.798 -3.134 0.522 355 HA ALA 97 HA ALA 97 7.251 -3.793 2.945 356 1HB ALA 97 HB2 ALA 97 9.422 -1.643 2.831 357 2HB ALA 97 HB3 ALA 97 8.157 -1.749 4.073 358 3HB ALA 97 HB1 ALA 97 9.309 -3.100 3.978 359 H VAL 98 HN VAL 98 5.367 -2.651 3.005 360 HA VAL 98 HA VAL 98 5.006 -0.592 0.971 361 HB VAL 98 HB VAL 98 3.284 -2.265 0.949 362 1HG1 VAL 98 HG12 VAL 98 3.702 -2.377 3.792 363 2HG1 VAL 98 HG13 VAL 98 2.043 -1.951 3.528 364 3HG1 VAL 98 HG11 VAL 98 2.728 -3.457 2.697 365 1HG2 VAL 98 HG22 VAL 98 2.601 0.225 0.827 366 2HG2 VAL 98 HG23 VAL 98 1.337 -0.996 1.149 367 3HG2 VAL 98 HG21 VAL 98 1.949 -0.043 2.524 368 H PHE 99 HN PHE 99 4.067 1.442 1.541 369 HA PHE 99 HA PHE 99 4.459 2.279 4.343 370 1HB PHE 99 HB1 PHE 99 5.882 3.371 1.841 371 2HB PHE 99 HB2 PHE 99 5.603 4.386 3.230 372 HD1 PHE 99 HD1 PHE 99 7.048 1.227 1.807 373 HD2 PHE 99 HD2 PHE 99 7.220 3.774 5.258 374 HE1 PHE 99 HE1 PHE 99 9.363 0.609 2.203 375 HE2 PHE 99 HE2 PHE 99 9.456 3.075 5.655 376 HZ PHE 99 HZ PHE 99 10.660 1.999 3.780 377 H ARG 100 HN ARG 100 3.645 4.528 4.623 378 HA ARG 100 HA ARG 100 1.553 5.471 2.631 379 1HB ARG 100 HB1 ARG 100 0.325 5.265 4.290 380 2HB ARG 100 HB2 ARG 100 1.701 5.476 5.461 381 1HG ARG 100 HG1 ARG 100 1.994 7.747 5.026 382 2HG ARG 100 HG2 ARG 100 0.657 7.756 3.828 383 1HD ARG 100 HD1 ARG 100 -0.648 6.688 6.012 384 2HD ARG 100 HD2 ARG 100 0.701 7.372 6.877 385 HE ARG 100 HE ARG 100 -1.353 8.823 5.014 386 1HH1 ARG 100 HH22 ARG 100 1.335 9.231 7.258 387 2HH1 ARG 100 HH21 ARG 100 1.230 10.968 7.226 388 1HH2 ARG 100 HH12 ARG 100 -1.755 10.989 5.331 389 2HH2 ARG 100 HH11 ARG 100 -0.588 11.981 6.200 390 H LEU 101 HN LEU 101 2.157 7.348 1.679 391 HA LEU 101 HA LEU 101 4.844 8.007 1.732 392 1HB LEU 101 HB1 LEU 101 2.343 9.421 0.545 393 2HB LEU 101 HB2 LEU 101 3.951 10.097 0.298 394 HG LEU 101 HG LEU 101 4.663 7.832 -0.692 395 1HD1 LEU 101 HD21 LEU 101 1.799 7.160 -0.329 396 2HD1 LEU 101 HD22 LEU 101 2.779 6.488 -1.682 397 3HD1 LEU 101 HD23 LEU 101 3.311 6.224 0.025 398 1HD2 LEU 101 HD13 LEU 101 3.965 9.814 -2.203 399 2HD2 LEU 101 HD11 LEU 101 3.508 8.213 -2.906 400 3HD2 LEU 101 HD12 LEU 101 2.252 9.217 -2.106 401 H LEU 102 HN LEU 102 5.637 10.343 1.902 402 HA LEU 102 HA LEU 102 5.100 11.096 4.577 403 1HB LEU 102 HB1 LEU 102 6.937 12.886 3.780 404 2HB LEU 102 HB2 LEU 102 7.305 11.253 4.414 405 HG LEU 102 HG LEU 102 7.444 10.342 2.129 406 1HD1 LEU 102 HD22 LEU 102 5.820 12.030 1.076 407 2HD1 LEU 102 HD23 LEU 102 7.122 13.230 1.128 408 3HD1 LEU 102 HD21 LEU 102 7.353 11.710 0.144 409 1HD2 LEU 102 HD13 LEU 102 9.474 11.210 3.223 410 2HD2 LEU 102 HD11 LEU 102 9.507 11.323 1.423 411 3HD2 LEU 102 HD12 LEU 102 9.208 12.805 2.411 412 H HIS 103 HN HSP 103 2.936 11.985 4.506 413 HA HIS 103 HA HSP 103 2.701 14.460 2.961 414 1HB HIS 103 HB1 HSP 103 0.663 13.105 4.771 415 2HB HIS 103 HB2 HSP 103 0.375 14.477 3.649 416 HD1 HIS 103 HD1 HSP 103 0.199 10.885 3.919 417 HD2 HIS 103 HD2 HSP 103 0.551 13.672 0.813 418 HE1 HIS 103 HE1 HSP 103 -0.427 9.700 1.769 419 HE2 HIS 103 HE2 HSP 103 -0.380 11.463 -0.057 420 H GLU 104 HN GLU 104 3.650 13.325 6.121 421 HA GLU 104 HA GLU 104 3.582 16.131 7.041 422 1HB GLU 104 HB1 GLU 104 2.980 13.811 8.927 423 2HB GLU 104 HB2 GLU 104 2.858 15.539 9.245 424 1HG GLU 104 HG1 GLU 104 0.602 15.005 8.987 425 2HG GLU 104 HG2 GLU 104 1.015 15.600 7.332 426 H HIS 105 HN HSP 105 5.651 14.262 5.798 427 HA HIS 105 HA HSP 105 7.562 14.508 7.966 428 1HB HIS 105 HB1 HSP 105 8.063 11.927 6.694 429 2HB HIS 105 HB2 HSP 105 7.966 12.326 8.424 430 HD1 HIS 105 HD1 HSP 105 5.209 12.544 9.157 431 HD2 HIS 105 HD2 HSP 105 6.229 10.139 5.882 432 HE1 HIS 105 HE1 HSP 105 3.247 10.997 8.720 433 HE2 HIS 105 HE2 HSP 105 3.869 9.627 6.690 434 H LYS 106 HN LYS 106 9.848 14.086 6.987 435 HA LYS 106 HA LYS 106 9.797 14.003 4.069 436 1HB LYS 106 HB1 LYS 106 10.878 16.159 5.913 437 2HB LYS 106 HB2 LYS 106 11.896 15.703 4.556 438 1HG LYS 106 HG1 LYS 106 8.943 16.584 4.284 439 2HG LYS 106 HG2 LYS 106 10.330 17.668 4.156 440 1HD LYS 106 HD1 LYS 106 11.227 16.362 2.202 441 2HD LYS 106 HD2 LYS 106 9.819 15.267 2.299 442 1HE LYS 106 HE1 LYS 106 8.267 17.199 1.875 443 2HE LYS 106 HE2 LYS 106 9.706 18.286 1.701 444 1HZ LYS 106 HZ2 LYS 106 10.479 16.858 -0.073 445 2HZ LYS 106 HZ3 LYS 106 9.112 15.863 0.089 446 3HZ LYS 106 HZ1 LYS 106 8.931 17.476 -0.402 447 H GLY 107 HN GLY 107 11.608 13.034 3.205 448 1HA GLY 107 HA2 GLY 107 13.592 12.007 3.184 449 2HA GLY 107 HA1 GLY 107 13.797 12.324 4.932 450 H LYS 108 HN LYS 108 10.789 10.950 4.895 451 HA LYS 108 HA LYS 108 11.678 8.197 4.818 452 1HB LYS 108 HB1 LYS 108 10.954 9.572 7.415 453 2HB LYS 108 HB2 LYS 108 10.835 7.810 7.131 454 1HG LYS 108 HG1 LYS 108 13.396 8.203 6.264 455 2HG LYS 108 HG2 LYS 108 13.293 9.526 7.443 456 1HD LYS 108 HD1 LYS 108 12.478 7.682 9.130 457 2HD LYS 108 HD2 LYS 108 12.724 6.489 7.833 458 1HE LYS 108 HE1 LYS 108 15.175 7.063 7.749 459 2HE LYS 108 HE2 LYS 108 14.924 8.279 9.067 460 1HZ LYS 108 HZ1 LYS 108 14.131 6.509 10.472 461 2HZ LYS 108 HZ2 LYS 108 14.367 5.369 9.237 462 3HZ LYS 108 HZ3 LYS 108 15.698 6.183 9.905 463 H LYS 109 HN LYS 109 9.956 6.961 4.381 464 HA LYS 109 HA LYS 109 7.313 8.210 4.085 465 1HB LYS 109 HB1 LYS 109 8.809 5.888 2.994 466 2HB LYS 109 HB2 LYS 109 7.568 5.332 3.520 467 1HG LYS 109 HG1 LYS 109 6.854 7.767 1.868 468 2HG LYS 109 HG2 LYS 109 8.491 7.369 1.390 469 1HD LYS 109 HD1 LYS 109 6.019 5.559 1.173 470 2HD LYS 109 HD2 LYS 109 6.774 6.366 -0.131 471 1HE LYS 109 HE1 LYS 109 8.310 4.327 1.619 472 2HE LYS 109 HE2 LYS 109 7.433 3.870 0.106 473 1HZ LYS 109 HZ1 LYS 109 8.810 5.559 -1.027 474 2HZ LYS 109 HZ2 LYS 109 9.713 5.744 0.411 475 3HZ LYS 109 HZ3 LYS 109 9.673 4.249 -0.442 476 H ALA 110 HN ALA 110 5.533 6.809 4.991 477 HA ALA 110 HA ALA 110 6.270 6.340 7.820 478 1HB ALA 110 HB3 ALA 110 3.489 6.705 6.662 479 2HB ALA 110 HB1 ALA 110 3.873 6.164 8.352 480 3HB ALA 110 HB2 ALA 110 4.363 7.800 7.814 481 H ARG 111 HN ARG 111 6.515 4.161 8.425 482 HA ARG 111 HA ARG 111 6.062 2.330 6.192 483 1HB ARG 111 HB1 ARG 111 8.350 2.519 7.171 484 2HB ARG 111 HB2 ARG 111 7.676 2.109 8.763 485 1HG ARG 111 HG1 ARG 111 6.967 0.154 6.635 486 2HG ARG 111 HG2 ARG 111 8.691 0.291 6.901 487 1HD ARG 111 HD1 ARG 111 8.363 -0.090 9.377 488 2HD ARG 111 HD2 ARG 111 6.624 -0.094 9.161 489 HE ARG 111 HE ARG 111 6.821 -2.205 7.767 490 1HH1 ARG 111 HH22 ARG 111 9.959 -0.814 8.336 491 2HH1 ARG 111 HH21 ARG 111 10.812 -2.190 7.696 492 1HH2 ARG 111 HH12 ARG 111 7.951 -4.215 7.463 493 2HH2 ARG 111 HH11 ARG 111 9.658 -4.112 7.158 494 H LEU 112 HN LEU 112 4.950 0.518 6.449 495 HA LEU 112 HA LEU 112 3.048 0.552 8.729 496 1HB LEU 112 HB1 LEU 112 2.585 -0.183 5.788 497 2HB LEU 112 HB2 LEU 112 1.349 -0.111 7.079 498 HG LEU 112 HG LEU 112 2.930 2.292 6.194 499 1HD1 LEU 112 HD11 LEU 112 1.459 1.292 4.358 500 2HD1 LEU 112 HD12 LEU 112 0.047 1.659 5.419 501 3HD1 LEU 112 HD13 LEU 112 1.102 2.994 4.832 502 1HD2 LEU 112 HD23 LEU 112 0.462 2.048 7.958 503 2HD2 LEU 112 HD21 LEU 112 2.114 2.609 8.426 504 3HD2 LEU 112 HD22 LEU 112 1.120 3.594 7.283 505 H ASP 113 HN ASP 113 1.596 -1.574 8.094 506 HA ASP 113 HA ASP 113 3.529 -3.773 8.398 507 1HB ASP 113 HB1 ASP 113 1.852 -3.305 10.323 508 2HB ASP 113 HB2 ASP 113 0.564 -3.823 9.171 509 H TRP 114 HN TRP 114 2.887 -5.808 7.196 510 HA TRP 114 HA TRP 114 1.623 -5.290 5.002 511 1HB TRP 114 HB1 TRP 114 3.160 -7.502 6.410 512 2HB TRP 114 HB2 TRP 114 1.894 -8.258 5.467 513 HD1 TRP 114 HD1 TRP 114 5.132 -8.452 4.647 514 HE1 TRP 114 HE1 TRP 114 6.051 -7.217 2.519 515 HE3 TRP 114 HE3 TRP 114 1.011 -6.291 3.609 516 HZ2 TRP 114 HZ2 TRP 114 4.642 -5.844 0.288 517 HZ3 TRP 114 HZ3 TRP 114 0.541 -5.364 1.303 518 HH2 TRP 114 HH2 TRP 114 2.306 -5.232 -0.310 519 H ASN 115 HN ASN 115 0.212 -6.025 7.949 520 HA ASN 115 HA ASN 115 -2.306 -6.443 6.422 521 1HB ASN 115 HB1 ASN 115 -1.110 -7.706 8.877 522 2HB ASN 115 HB2 ASN 115 -2.731 -7.099 9.126 523 1HD2 ASN 115 HD21 ASN 115 -4.053 -9.842 7.084 524 2HD2 ASN 115 HD22 ASN 115 -4.419 -8.433 8.005 525 H THR 116 HN THR 116 -1.181 -4.058 6.673 526 HA THR 116 HA THR 116 -1.563 -2.967 9.051 527 HB THR 116 HB THR 116 0.080 -2.240 7.101 528 HG1 THR 116 HG1 THR 116 -0.710 -0.605 9.253 529 1HG2 THR 116 HG23 THR 116 -2.220 -0.596 6.512 530 2HG2 THR 116 HG21 THR 116 -1.172 0.448 7.500 531 3HG2 THR 116 HG22 THR 116 -0.497 -0.285 5.998 532 H ASP 117 HN ASP 117 -3.989 -3.446 6.953 533 HA ASP 117 HA ASP 117 -6.227 -2.750 6.873 534 1HB ASP 117 HB1 ASP 117 -6.027 -2.691 9.302 535 2HB ASP 117 HB2 ASP 117 -5.413 -1.063 9.190 536 H ALA 118 HN ALA 118 -5.840 -1.953 4.738 537 HA ALA 118 HA ALA 118 -4.725 0.654 4.168 538 1HB ALA 118 HB3 ALA 118 -6.765 -1.233 2.752 539 2HB ALA 118 HB1 ALA 118 -5.757 0.057 1.959 540 3HB ALA 118 HB2 ALA 118 -4.990 -1.430 2.647 541 H ALA 119 HN ALA 119 -7.748 -0.506 5.492 542 HA ALA 119 HA ALA 119 -9.449 1.659 4.574 543 1HB ALA 119 HB3 ALA 119 -9.068 -0.708 6.563 544 2HB ALA 119 HB1 ALA 119 -10.492 0.427 6.834 545 3HB ALA 119 HB2 ALA 119 -10.335 -0.547 5.317 546 H SER 120 HN SER 120 -6.827 1.372 6.895 547 HA SER 120 HA SER 120 -7.896 3.645 8.433 548 1HB SER 120 HB1 SER 120 -5.480 1.829 8.803 549 2HB SER 120 HB2 SER 120 -5.753 3.347 9.756 550 HG SER 120 HG1 SER 120 -7.468 1.077 9.560 551 H LEU 121 HN LEU 121 -5.952 2.898 5.672 552 HA LEU 121 HA LEU 121 -4.533 5.512 5.860 553 1HB LEU 121 HB1 LEU 121 -4.086 3.230 3.866 554 2HB LEU 121 HB2 LEU 121 -3.117 4.646 4.038 555 HG LEU 121 HG LEU 121 -1.799 3.107 5.219 556 1HD1 LEU 121 HD22 LEU 121 -2.310 4.991 6.779 557 2HD1 LEU 121 HD23 LEU 121 -3.713 4.104 7.400 558 3HD1 LEU 121 HD21 LEU 121 -2.045 3.411 7.661 559 1HD2 LEU 121 HD12 LEU 121 -4.445 1.803 5.841 560 2HD2 LEU 121 HD13 LEU 121 -2.902 1.071 5.263 561 3HD2 LEU 121 HD11 LEU 121 -3.098 1.550 7.016 562 H ILE 122 HN ILE 122 -7.096 4.097 4.941 563 HA ILE 122 HA ILE 122 -7.690 4.659 2.473 564 HB ILE 122 HB ILE 122 -9.335 3.830 4.390 565 1HG1 ILE 122 HG11 ILE 122 -11.234 3.990 2.660 566 2HG1 ILE 122 HG12 ILE 122 -9.895 4.556 1.565 567 1HG2 ILE 122 HG23 ILE 122 -9.934 6.097 5.227 568 2HG2 ILE 122 HG21 ILE 122 -10.625 6.470 3.575 569 3HG2 ILE 122 HG22 ILE 122 -11.357 5.185 4.555 570 1HD1 ILE 122 HD1 ILE 122 -8.695 2.377 2.608 571 2HD1 ILE 122 HD2 ILE 122 -10.470 1.852 2.468 572 3HD1 ILE 122 HD3 ILE 122 -9.585 2.451 1.058 573 H GLY 123 HN GLY 123 -8.387 6.204 1.168 574 1HA GLY 123 HA2 GLY 123 -8.474 8.269 0.257 575 2HA GLY 123 HA1 GLY 123 -8.775 8.874 1.923 576 H GLU 124 HN GLU 124 -5.810 7.099 0.954 577 HA GLU 124 HA GLU 124 -4.313 9.652 1.131 578 1HB GLU 124 HB1 GLU 124 -3.460 6.995 2.344 579 2HB GLU 124 HB2 GLU 124 -2.616 8.547 2.441 580 1HG GLU 124 HG1 GLU 124 -5.479 8.227 3.559 581 2HG GLU 124 HG2 GLU 124 -4.105 7.588 4.444 582 H GLU 125 HN GLU 125 -1.842 8.388 0.881 583 HA GLU 125 HA GLU 125 -2.019 6.936 -1.688 584 1HB GLU 125 HB1 GLU 125 0.086 9.038 -0.951 585 2HB GLU 125 HB2 GLU 125 0.263 7.867 -2.268 586 1HG GLU 125 HG1 GLU 125 -0.945 8.867 -3.763 587 2HG GLU 125 HG2 GLU 125 -2.299 9.132 -2.652 588 H LEU 126 HN LEU 126 -0.867 5.066 -1.562 589 HA LEU 126 HA LEU 126 1.179 4.986 0.444 590 1HB LEU 126 HB1 LEU 126 -0.713 2.852 -0.681 591 2HB LEU 126 HB2 LEU 126 0.809 2.321 -0.012 592 HG LEU 126 HG LEU 126 -0.093 4.068 1.982 593 1HD1 LEU 126 HD23 LEU 126 -2.538 3.045 0.793 594 2HD1 LEU 126 HD21 LEU 126 -2.344 3.364 2.563 595 3HD1 LEU 126 HD22 LEU 126 -2.010 4.690 1.422 596 1HD2 LEU 126 HD13 LEU 126 0.948 1.790 2.336 597 2HD2 LEU 126 HD11 LEU 126 -0.591 1.975 3.288 598 3HD2 LEU 126 HD12 LEU 126 -0.584 1.014 1.767 599 H GLN 127 HN GLN 127 2.958 3.331 0.028 600 HA GLN 127 HA GLN 127 3.608 3.212 -2.817 601 1HB GLN 127 HB1 GLN 127 4.671 5.393 -1.726 602 2HB GLN 127 HB2 GLN 127 5.730 4.255 -0.907 603 1HG GLN 127 HG1 GLN 127 5.749 3.490 -3.716 604 2HG GLN 127 HG2 GLN 127 5.727 5.333 -3.682 605 1HE2 GLN 127 HE21 GLN 127 9.159 3.575 -2.538 606 2HE2 GLN 127 HE22 GLN 127 7.808 2.606 -3.041 607 H VAL 128 HN VAL 128 5.231 1.549 -3.198 608 HA VAL 128 HA VAL 128 5.759 -0.094 -0.785 609 HB VAL 128 HB VAL 128 5.078 -0.952 -3.605 610 1HG1 VAL 128 HG12 VAL 128 6.310 -2.632 -1.306 611 2HG1 VAL 128 HG13 VAL 128 5.654 -3.292 -2.856 612 3HG1 VAL 128 HG11 VAL 128 7.121 -2.268 -2.895 613 1HG2 VAL 128 HG23 VAL 128 3.207 -0.741 -2.005 614 2HG2 VAL 128 HG21 VAL 128 3.485 -2.400 -2.634 615 3HG2 VAL 128 HG22 VAL 128 4.008 -1.976 -0.943 616 H ASP 129 HN ASP 129 7.868 -0.816 -0.523 617 HA ASP 129 HA ASP 129 9.748 0.076 -2.582 618 1HB ASP 129 HB1 ASP 129 9.346 1.439 -0.054 619 2HB ASP 129 HB2 ASP 129 10.817 0.451 0.189 620 H PHE 130 HN PHE 130 12.109 -0.684 -1.123 621 HA PHE 130 HA PHE 130 11.870 -3.495 -1.393 622 1HB PHE 130 HB1 PHE 130 14.239 -3.471 -0.344 623 2HB PHE 130 HB2 PHE 130 14.034 -2.668 -1.932 624 HD1 PHE 130 HD2 PHE 130 14.480 -2.095 1.713 625 HD2 PHE 130 HD1 PHE 130 14.057 -0.221 -2.115 626 HE1 PHE 130 HE2 PHE 130 15.175 0.042 2.674 627 HE2 PHE 130 HE1 PHE 130 14.751 1.907 -1.133 628 HZ PHE 130 HZ PHE 130 15.306 2.054 1.260 629 H LEU 131 HN LEU 131 12.617 -4.984 0.479 630 HA LEU 131 HA LEU 131 10.843 -4.612 2.627 631 1HB LEU 131 HB1 LEU 131 11.808 -6.713 3.520 632 2HB LEU 131 HB2 LEU 131 11.020 -6.786 1.987 633 HG LEU 131 HG LEU 131 12.926 -6.786 0.586 634 1HD1 LEU 131 HD22 LEU 131 14.530 -5.376 1.873 635 2HD1 LEU 131 HD23 LEU 131 14.727 -6.750 3.073 636 3HD1 LEU 131 HD21 LEU 131 15.231 -6.938 1.370 637 1HD2 LEU 131 HD11 LEU 131 12.104 -8.949 1.579 638 2HD2 LEU 131 HD12 LEU 131 13.837 -8.943 1.055 639 3HD2 LEU 131 HD13 LEU 131 13.411 -8.825 2.808 640 H ASP 132 HN ASP 132 13.210 -5.990 4.238 641 HA ASP 132 HA ASP 132 14.181 -3.419 5.385 642 1HB ASP 132 HB1 ASP 132 13.289 -5.931 6.895 643 2HB ASP 132 HB2 ASP 132 14.151 -4.510 7.624 No H/Q in entry = 643 Start of MODEL 11 1 1H SER 55 HT3 SER 55 -13.963 7.180 2.710 2 2H SER 55 HT2 SER 55 -12.317 7.153 3.043 3 3H SER 55 HT1 SER 55 -12.992 8.499 2.232 4 HA SER 55 HA SER 55 -13.507 7.167 0.346 5 1HB SER 55 HB1 SER 55 -11.099 8.188 0.776 6 2HB SER 55 HB2 SER 55 -10.604 6.493 1.104 7 HG SER 55 HG1 SER 55 -11.580 7.694 -1.258 8 H ASN 56 HN ASN 56 -12.494 5.070 -0.784 9 HA ASN 56 HA ASN 56 -12.330 2.809 1.096 10 1HB ASN 56 HB1 ASN 56 -13.738 1.377 -0.277 11 2HB ASN 56 HB2 ASN 56 -14.625 2.662 0.628 12 1HD2 ASN 56 HD21 ASN 56 -14.326 2.951 -3.503 13 2HD2 ASN 56 HD22 ASN 56 -13.218 1.957 -2.627 14 H THR 57 HN THR 57 -10.659 4.651 -0.672 15 HA THR 57 HA THR 57 -9.481 2.547 -2.394 16 HB THR 57 HB THR 57 -9.190 4.100 -4.234 17 HG1 THR 57 HG1 THR 57 -10.480 5.884 -2.441 18 1HG2 THR 57 HG23 THR 57 -11.451 2.893 -4.130 19 2HG2 THR 57 HG21 THR 57 -12.131 4.383 -3.344 20 3HG2 THR 57 HG22 THR 57 -11.475 4.469 -5.015 21 H ILE 58 HN ILE 58 -7.227 3.140 -2.996 22 HA ILE 58 HA ILE 58 -6.093 5.356 -1.558 23 HB ILE 58 HB ILE 58 -4.530 2.783 -1.211 24 1HG1 ILE 58 HG11 ILE 58 -6.818 3.412 0.683 25 2HG1 ILE 58 HG12 ILE 58 -6.710 2.035 -0.439 26 1HG2 ILE 58 HG21 ILE 58 -4.895 5.257 0.605 27 2HG2 ILE 58 HG22 ILE 58 -3.781 3.888 0.898 28 3HG2 ILE 58 HG23 ILE 58 -3.497 4.940 -0.520 29 1HD1 ILE 58 HD2 ILE 58 -4.569 1.290 0.710 30 2HD1 ILE 58 HD3 ILE 58 -4.873 2.577 1.958 31 3HD1 ILE 58 HD1 ILE 58 -6.051 1.257 1.752 32 H ARG 59 HN ARG 59 -3.605 5.542 -2.370 33 HA ARG 59 HA ARG 59 -3.500 4.240 -5.012 34 1HB ARG 59 HB1 ARG 59 -2.338 6.806 -3.822 35 2HB ARG 59 HB2 ARG 59 -1.767 6.100 -5.360 36 1HG ARG 59 HG1 ARG 59 -3.258 7.662 -6.060 37 2HG ARG 59 HG2 ARG 59 -4.185 6.167 -6.217 38 1HD ARG 59 HD1 ARG 59 -5.793 7.561 -5.232 39 2HD ARG 59 HD2 ARG 59 -5.043 6.893 -3.731 40 HE ARG 59 HE ARG 59 -4.097 9.501 -4.978 41 1HH1 ARG 59 HH22 ARG 59 -6.521 8.150 -2.995 42 2HH1 ARG 59 HH21 ARG 59 -6.802 9.646 -2.171 43 1HH2 ARG 59 HH12 ARG 59 -3.862 11.201 -3.264 44 2HH2 ARG 59 HH11 ARG 59 -5.361 11.422 -2.460 45 H VAL 60 HN VAL 60 -1.273 3.716 -5.702 46 HA VAL 60 HA VAL 60 0.509 3.165 -3.438 47 HB VAL 60 HB VAL 60 0.006 0.938 -5.420 48 1HG1 VAL 60 HG12 VAL 60 2.121 0.947 -4.071 49 2HG1 VAL 60 HG13 VAL 60 1.131 0.888 -2.571 50 3HG1 VAL 60 HG11 VAL 60 1.047 -0.476 -3.760 51 1HG2 VAL 60 HG22 VAL 60 -2.180 1.352 -4.340 52 2HG2 VAL 60 HG23 VAL 60 -1.436 -0.235 -3.884 53 3HG2 VAL 60 HG21 VAL 60 -1.410 1.155 -2.723 54 H PHE 61 HN PHE 61 2.303 4.169 -4.042 55 HA PHE 61 HA PHE 61 2.923 4.337 -6.893 56 1HB PHE 61 HB1 PHE 61 3.927 5.682 -4.374 57 2HB PHE 61 HB2 PHE 61 4.951 5.691 -5.901 58 HD1 PHE 61 HD2 PHE 61 1.336 6.122 -4.753 59 HD2 PHE 61 HD1 PHE 61 4.527 7.644 -7.169 60 HE1 PHE 61 HE2 PHE 61 -0.122 7.892 -5.579 61 HE2 PHE 61 HE1 PHE 61 3.118 9.558 -7.769 62 HZ PHE 61 HZ PHE 61 0.822 9.739 -6.882 63 H LEU 62 HN LEU 62 4.797 3.294 -7.829 64 HA LEU 62 HA LEU 62 5.275 1.031 -6.149 65 1HB LEU 62 HB1 LEU 62 5.288 1.614 -9.134 66 2HB LEU 62 HB2 LEU 62 6.434 0.347 -8.626 67 HG LEU 62 HG LEU 62 4.526 -0.882 -7.485 68 1HD1 LEU 62 HD13 LEU 62 2.767 1.104 -8.976 69 2HD1 LEU 62 HD11 LEU 62 2.243 -0.436 -8.154 70 3HD1 LEU 62 HD12 LEU 62 2.923 0.904 -7.186 71 1HD2 LEU 62 HD22 LEU 62 5.591 -1.643 -9.400 72 2HD2 LEU 62 HD23 LEU 62 3.864 -2.044 -9.334 73 3HD2 LEU 62 HD21 LEU 62 4.429 -0.708 -10.450 74 HA PRO 63 HA PRO 63 9.374 1.759 -5.599 75 1HB PRO 63 HB1 PRO 63 10.150 -0.977 -6.493 76 2HB PRO 63 HB2 PRO 63 10.433 -0.209 -4.960 77 1HG PRO 63 HG1 PRO 63 8.538 -2.165 -5.454 78 2HG PRO 63 HG2 PRO 63 8.339 -1.031 -4.186 79 1HD PRO 63 HD1 PRO 63 6.645 -1.162 -6.484 80 2HD PRO 63 HD2 PRO 63 6.517 -0.149 -5.240 81 H ASN 64 HN ASN 64 8.407 0.412 -8.745 82 HA ASN 64 HA ASN 64 10.973 1.130 -9.929 83 1HB ASN 64 HB1 ASN 64 9.741 0.650 -12.138 84 2HB ASN 64 HB2 ASN 64 10.185 -0.724 -11.075 85 1HD2 ASN 64 HD21 ASN 64 6.849 -1.846 -11.027 86 2HD2 ASN 64 HD22 ASN 64 8.532 -2.195 -11.248 87 H LYS 65 HN LYS 65 8.643 2.843 -8.531 88 HA LYS 65 HA LYS 65 8.092 4.864 -8.599 89 1HB LYS 65 HB1 LYS 65 10.190 5.225 -10.702 90 2HB LYS 65 HB2 LYS 65 9.122 6.556 -10.214 91 1HG LYS 65 HG1 LYS 65 10.530 6.985 -8.530 92 2HG LYS 65 HG2 LYS 65 9.703 5.586 -7.747 93 1HD LYS 65 HD1 LYS 65 11.452 4.051 -8.923 94 2HD LYS 65 HD2 LYS 65 12.445 5.512 -9.053 95 1HE LYS 65 HE1 LYS 65 12.635 5.730 -6.661 96 2HE LYS 65 HE2 LYS 65 11.166 4.707 -6.364 97 1HZ LYS 65 HZ3 LYS 65 13.691 3.719 -7.542 98 2HZ LYS 65 HZ1 LYS 65 13.192 3.534 -5.921 99 3HZ LYS 65 HZ2 LYS 65 12.296 2.813 -7.174 100 H GLN 66 HN GLN 66 6.452 3.177 -9.592 101 HA GLN 66 HA GLN 66 4.985 4.890 -11.400 102 1HB GLN 66 HB1 GLN 66 5.250 1.922 -11.081 103 2HB GLN 66 HB2 GLN 66 3.585 2.362 -11.222 104 1HG GLN 66 HG1 GLN 66 5.723 3.476 -13.163 105 2HG GLN 66 HG2 GLN 66 5.399 1.740 -13.154 106 1HE2 GLN 66 HE21 GLN 66 2.543 4.385 -14.568 107 2HE2 GLN 66 HE22 GLN 66 4.127 4.868 -14.138 108 H ARG 67 HN ARG 67 2.378 3.864 -11.075 109 HA ARG 67 HA ARG 67 1.880 3.712 -8.354 110 1HB ARG 67 HB1 ARG 67 0.453 5.760 -8.144 111 2HB ARG 67 HB2 ARG 67 2.145 6.196 -8.427 112 1HG ARG 67 HG1 ARG 67 1.306 7.574 -9.989 113 2HG ARG 67 HG2 ARG 67 1.316 6.142 -11.029 114 1HD ARG 67 HD1 ARG 67 -1.103 5.755 -10.509 115 2HD ARG 67 HD2 ARG 67 -1.076 7.148 -9.332 116 HE ARG 67 HE ARG 67 -0.352 8.540 -11.435 117 1HH1 ARG 67 HH22 ARG 67 -3.011 6.487 -10.732 118 2HH1 ARG 67 HH21 ARG 67 -4.065 7.308 -11.834 119 1HH2 ARG 67 HH12 ARG 67 -1.519 9.211 -13.327 120 2HH2 ARG 67 HH11 ARG 67 -3.220 8.909 -13.272 121 H THR 68 HN THR 68 -0.739 4.147 -8.149 122 HA THR 68 HA THR 68 -2.291 3.480 -10.322 123 HB THR 68 HB THR 68 -1.091 1.260 -10.349 124 HG1 THR 68 HG1 THR 68 -3.027 0.054 -10.190 125 1HG2 THR 68 HG21 THR 68 -0.665 1.097 -7.849 126 2HG2 THR 68 HG22 THR 68 -2.428 0.757 -7.626 127 3HG2 THR 68 HG23 THR 68 -1.409 -0.374 -8.587 128 H VAL 69 HN VAL 69 -4.449 2.240 -9.229 129 HA VAL 69 HA VAL 69 -4.806 3.679 -6.668 130 HB VAL 69 HB VAL 69 -6.116 4.921 -8.226 131 1HG1 VAL 69 HG12 VAL 69 -6.250 3.318 -10.111 132 2HG1 VAL 69 HG13 VAL 69 -7.377 2.276 -9.148 133 3HG1 VAL 69 HG11 VAL 69 -7.876 3.936 -9.645 134 1HG2 VAL 69 HG23 VAL 69 -7.083 4.495 -6.006 135 2HG2 VAL 69 HG21 VAL 69 -8.257 4.877 -7.317 136 3HG2 VAL 69 HG22 VAL 69 -8.091 3.182 -6.756 137 H VAL 70 HN VAL 70 -6.110 2.591 -5.138 138 HA VAL 70 HA VAL 70 -6.330 -0.310 -5.683 139 HB VAL 70 HB VAL 70 -5.353 1.431 -3.465 140 1HG1 VAL 70 HG12 VAL 70 -7.201 0.943 -2.397 141 2HG1 VAL 70 HG13 VAL 70 -6.617 -0.866 -2.327 142 3HG1 VAL 70 HG11 VAL 70 -5.719 0.455 -1.619 143 1HG2 VAL 70 HG21 VAL 70 -3.766 0.307 -4.913 144 2HG2 VAL 70 HG22 VAL 70 -3.606 -0.062 -3.162 145 3HG2 VAL 70 HG23 VAL 70 -4.361 -1.284 -4.275 146 H ASN 71 HN ASN 71 -7.844 -1.225 -4.057 147 HA ASN 71 HA ASN 71 -10.113 0.437 -3.454 148 1HB ASN 71 HB1 ASN 71 -10.326 -1.847 -5.450 149 2HB ASN 71 HB2 ASN 71 -11.608 -1.737 -4.187 150 1HD2 ASN 71 HD21 ASN 71 -11.468 1.136 -7.135 151 2HD2 ASN 71 HD22 ASN 71 -10.162 0.018 -6.948 152 H VAL 72 HN VAL 72 -10.810 -0.075 -1.417 153 HA VAL 72 HA VAL 72 -9.735 -2.629 -0.324 154 HB VAL 72 HB VAL 72 -10.204 -0.061 1.213 155 1HG1 VAL 72 HG12 VAL 72 -10.282 -2.085 2.597 156 2HG1 VAL 72 HG13 VAL 72 -8.665 -2.601 1.951 157 3HG1 VAL 72 HG11 VAL 72 -8.823 -1.107 2.945 158 1HG2 VAL 72 HG21 VAL 72 -7.547 -1.078 0.073 159 2HG2 VAL 72 HG22 VAL 72 -8.400 0.457 -0.348 160 3HG2 VAL 72 HG23 VAL 72 -7.740 0.218 1.313 161 H ARG 73 HN ARG 73 -11.202 -3.882 0.795 162 HA ARG 73 HA ARG 73 -13.919 -2.723 1.074 163 1HB ARG 73 HB1 ARG 73 -13.037 -5.272 -0.096 164 2HB ARG 73 HB2 ARG 73 -14.084 -5.552 1.282 165 1HG ARG 73 HG1 ARG 73 -15.638 -5.411 -0.471 166 2HG ARG 73 HG2 ARG 73 -15.702 -3.757 0.162 167 1HD ARG 73 HD1 ARG 73 -13.850 -4.611 -2.174 168 2HD ARG 73 HD2 ARG 73 -15.570 -4.076 -2.420 169 HE ARG 73 HE ARG 73 -13.603 -2.300 -0.936 170 1HH1 ARG 73 HH22 ARG 73 -14.748 -3.204 -4.074 171 2HH1 ARG 73 HH21 ARG 73 -14.146 -1.748 -4.796 172 1HH2 ARG 73 HH12 ARG 73 -13.233 -0.255 -1.753 173 2HH2 ARG 73 HH11 ARG 73 -13.307 -0.058 -3.482 174 H ASN 74 HN ASN 74 -15.065 -4.189 2.904 175 HA ASN 74 HA ASN 74 -13.476 -3.549 5.199 176 1HB ASN 74 HB1 ASN 74 -15.529 -4.733 6.413 177 2HB ASN 74 HB2 ASN 74 -15.588 -3.055 5.820 178 1HD2 ASN 74 HD21 ASN 74 -17.607 -6.061 3.734 179 2HD2 ASN 74 HD22 ASN 74 -16.220 -6.463 4.686 180 H GLY 75 HN GLY 75 -11.840 -4.855 5.721 181 1HA GLY 75 HA2 GLY 75 -11.376 -6.645 6.923 182 2HA GLY 75 HA1 GLY 75 -12.425 -7.774 5.956 183 H MET 76 HN MET 76 -10.681 -5.469 4.089 184 HA MET 76 HA MET 76 -8.848 -7.506 3.261 185 1HB MET 76 HB1 MET 76 -9.103 -4.648 2.259 186 2HB MET 76 HB2 MET 76 -8.040 -5.727 1.657 187 1HG MET 76 HG1 MET 76 -9.783 -7.495 1.116 188 2HG MET 76 HG2 MET 76 -11.005 -6.486 1.692 189 1HE MET 76 HE2 MET 76 -12.057 -6.906 -0.803 190 2HE MET 76 HE3 MET 76 -11.370 -6.302 -2.354 191 3HE MET 76 HE1 MET 76 -10.636 -7.708 -1.514 192 H SER 77 HN SER 77 -6.632 -7.402 3.340 193 HA SER 77 HA SER 77 -5.480 -5.545 5.411 194 1HB SER 77 HB1 SER 77 -4.624 -8.346 4.677 195 2HB SER 77 HB2 SER 77 -3.918 -7.316 5.895 196 HG SER 77 HG1 SER 77 -6.687 -7.948 6.000 197 H LEU 78 HN LEU 78 -3.459 -4.824 4.988 198 HA LEU 78 HA LEU 78 -2.805 -3.964 2.660 199 1HB LEU 78 HB1 LEU 78 -1.127 -4.889 4.969 200 2HB LEU 78 HB2 LEU 78 -0.236 -4.634 3.465 201 HG LEU 78 HG LEU 78 -0.200 -2.623 4.854 202 1HD1 LEU 78 HD21 LEU 78 -0.068 -2.808 2.164 203 2HD1 LEU 78 HD22 LEU 78 -1.705 -2.125 2.243 204 3HD1 LEU 78 HD23 LEU 78 -0.483 -1.131 2.977 205 1HD2 LEU 78 HD11 LEU 78 -3.132 -2.635 4.064 206 2HD2 LEU 78 HD12 LEU 78 -2.326 -2.062 5.549 207 3HD2 LEU 78 HD13 LEU 78 -2.179 -1.058 4.096 208 H HIS 79 HN HSP 79 -1.285 -7.028 3.721 209 HA HIS 79 HA HSP 79 -0.157 -7.571 1.300 210 1HB HIS 79 HB1 HSP 79 -1.063 -9.274 3.692 211 2HB HIS 79 HB2 HSP 79 -0.756 -10.179 2.214 212 HD1 HIS 79 HD1 HSP 79 0.916 -10.402 4.828 213 HD2 HIS 79 HD2 HSP 79 2.218 -8.051 1.677 214 HE1 HIS 79 HE1 HSP 79 3.449 -10.112 4.856 215 HE2 HIS 79 HE2 HSP 79 4.091 -9.074 2.763 216 H ASP 80 HN ASP 80 -3.327 -8.859 2.515 217 HA ASP 80 HA ASP 80 -3.793 -10.246 0.089 218 1HB ASP 80 HB1 ASP 80 -5.578 -9.378 2.450 219 2HB ASP 80 HB2 ASP 80 -6.263 -10.249 1.052 220 H CYS 81 HN CYS 81 -4.292 -6.965 1.179 221 HA CYS 81 HA CYS 81 -6.297 -6.421 -0.810 222 1HB CYS 81 HB1 CYS 81 -5.804 -5.431 1.691 223 2HB CYS 81 HB2 CYS 81 -4.824 -4.336 0.863 224 HG1 CYS 81 HG1 CYS 81 -6.460 -3.748 -1.213 225 H LEU 82 HN LEU 82 -2.837 -6.080 -0.452 226 HA LEU 82 HA LEU 82 -2.596 -4.526 -2.916 227 1HB LEU 82 HB1 LEU 82 -0.630 -5.826 -0.926 228 2HB LEU 82 HB2 LEU 82 -0.052 -5.035 -2.300 229 HG LEU 82 HG LEU 82 -0.945 -4.145 0.299 230 1HD1 LEU 82 HD12 LEU 82 1.031 -3.066 -1.207 231 2HD1 LEU 82 HD13 LEU 82 -0.275 -2.246 -2.115 232 3HD1 LEU 82 HD11 LEU 82 -0.011 -1.846 -0.370 233 1HD2 LEU 82 HD22 LEU 82 -2.769 -2.995 -1.714 234 2HD2 LEU 82 HD23 LEU 82 -3.049 -3.735 -0.080 235 3HD2 LEU 82 HD21 LEU 82 -2.302 -2.125 -0.172 236 H MET 83 HN MET 83 -2.247 -7.736 -1.718 237 HA MET 83 HA MET 83 -0.991 -8.866 -3.911 238 1HB MET 83 HB1 MET 83 -1.620 -9.996 -1.674 239 2HB MET 83 HB2 MET 83 -3.311 -9.767 -1.994 240 1HG MET 83 HG1 MET 83 -3.614 -11.377 -3.492 241 2HG MET 83 HG2 MET 83 -1.928 -11.385 -4.041 242 1HE MET 83 HE3 MET 83 0.062 -12.655 -2.928 243 2HE MET 83 HE1 MET 83 -0.060 -11.565 -1.506 244 3HE MET 83 HE2 MET 83 0.061 -13.338 -1.271 245 H LYS 84 HN LYS 84 -4.141 -7.572 -3.602 246 HA LYS 84 HA LYS 84 -5.107 -8.314 -6.196 247 1HB LYS 84 HB1 LYS 84 -5.286 -5.768 -4.450 248 2HB LYS 84 HB2 LYS 84 -5.949 -5.764 -6.126 249 1HG LYS 84 HG1 LYS 84 -7.748 -6.163 -4.670 250 2HG LYS 84 HG2 LYS 84 -7.375 -7.617 -5.636 251 1HD LYS 84 HD1 LYS 84 -6.414 -8.761 -3.723 252 2HD LYS 84 HD2 LYS 84 -6.276 -7.263 -2.809 253 1HE LYS 84 HE1 LYS 84 -8.754 -7.116 -2.549 254 2HE LYS 84 HE2 LYS 84 -8.974 -8.568 -3.605 255 1HZ LYS 84 HZ2 LYS 84 -7.142 -8.878 -1.380 256 2HZ LYS 84 HZ3 LYS 84 -8.788 -8.651 -0.969 257 3HZ LYS 84 HZ1 LYS 84 -8.314 -9.927 -1.999 258 H ALA 85 HN ALA 85 -3.740 -5.379 -5.135 259 HA ALA 85 HA ALA 85 -3.228 -4.146 -7.494 260 1HB ALA 85 HB2 ALA 85 -2.724 -3.189 -5.084 261 2HB ALA 85 HB3 ALA 85 -1.186 -4.196 -5.071 262 3HB ALA 85 HB1 ALA 85 -1.347 -2.850 -6.218 263 H LEU 86 HN LEU 86 -0.696 -6.007 -5.755 264 HA LEU 86 HA LEU 86 1.261 -5.518 -7.811 265 1HB LEU 86 HB1 LEU 86 1.024 -7.650 -5.601 266 2HB LEU 86 HB2 LEU 86 2.455 -7.320 -6.368 267 HG LEU 86 HG LEU 86 0.776 -5.092 -4.966 268 1HD1 LEU 86 HD22 LEU 86 2.358 -7.078 -3.475 269 2HD1 LEU 86 HD23 LEU 86 1.793 -5.436 -2.865 270 3HD1 LEU 86 HD21 LEU 86 0.610 -6.646 -3.414 271 1HD2 LEU 86 HD11 LEU 86 2.512 -4.174 -6.283 272 2HD2 LEU 86 HD12 LEU 86 2.758 -3.875 -4.541 273 3HD2 LEU 86 HD13 LEU 86 3.755 -5.151 -5.385 274 H LYS 87 HN LYS 87 -0.753 -8.196 -6.802 275 HA LYS 87 HA LYS 87 -0.153 -10.017 -8.627 276 1HB LYS 87 HB1 LYS 87 -2.645 -9.234 -7.282 277 2HB LYS 87 HB2 LYS 87 -3.145 -9.454 -8.864 278 1HG LYS 87 HG1 LYS 87 -1.411 -11.697 -7.779 279 2HG LYS 87 HG2 LYS 87 -3.026 -11.505 -7.095 280 1HD LYS 87 HD1 LYS 87 -3.993 -11.599 -9.464 281 2HD LYS 87 HD2 LYS 87 -2.371 -11.801 -10.108 282 1HE LYS 87 HE1 LYS 87 -2.114 -13.983 -8.842 283 2HE LYS 87 HE2 LYS 87 -3.783 -13.769 -8.169 284 1HZ LYS 87 HZ3 LYS 87 -3.063 -13.943 -11.043 285 2HZ LYS 87 HZ1 LYS 87 -3.749 -15.177 -10.097 286 3HZ LYS 87 HZ2 LYS 87 -4.624 -13.755 -10.408 287 H VAL 88 HN VAL 88 -2.499 -7.484 -9.329 288 HA VAL 88 HA VAL 88 -2.761 -7.782 -12.014 289 HB VAL 88 HB VAL 88 -2.471 -5.047 -10.605 290 1HG1 VAL 88 HG12 VAL 88 -3.897 -5.643 -13.187 291 2HG1 VAL 88 HG13 VAL 88 -3.956 -4.105 -12.208 292 3HG1 VAL 88 HG11 VAL 88 -2.406 -4.621 -12.888 293 1HG2 VAL 88 HG22 VAL 88 -4.560 -7.080 -10.249 294 2HG2 VAL 88 HG23 VAL 88 -4.134 -5.591 -9.306 295 3HG2 VAL 88 HG21 VAL 88 -5.176 -5.450 -10.755 296 H ARG 89 HN ARG 89 -0.182 -6.023 -10.294 297 HA ARG 89 HA ARG 89 0.954 -4.926 -12.644 298 1HB ARG 89 HB1 ARG 89 2.130 -5.267 -9.863 299 2HB ARG 89 HB2 ARG 89 2.637 -4.107 -11.071 300 1HG ARG 89 HG1 ARG 89 -0.279 -3.878 -10.641 301 2HG ARG 89 HG2 ARG 89 0.432 -4.059 -9.075 302 1HD ARG 89 HD1 ARG 89 0.149 -1.662 -9.842 303 2HD ARG 89 HD2 ARG 89 1.900 -2.054 -9.514 304 HE ARG 89 HE ARG 89 1.992 -2.504 -12.086 305 1HH1 ARG 89 HH22 ARG 89 0.985 0.182 -10.189 306 2HH1 ARG 89 HH21 ARG 89 1.384 1.330 -11.422 307 1HH2 ARG 89 HH12 ARG 89 1.994 -1.087 -13.897 308 2HH2 ARG 89 HH11 ARG 89 2.100 0.599 -13.504 309 H GLY 90 HN GLY 90 1.589 -7.779 -10.604 310 1HA GLY 90 HA2 GLY 90 2.514 -9.708 -11.569 311 2HA GLY 90 HA1 GLY 90 3.515 -8.723 -12.683 312 H LEU 91 HN LEU 91 2.892 -8.118 -9.204 313 HA LEU 91 HA LEU 91 5.756 -8.721 -8.690 314 1HB LEU 91 HB1 LEU 91 3.966 -6.424 -7.750 315 2HB LEU 91 HB2 LEU 91 5.427 -6.824 -6.950 316 HG LEU 91 HG LEU 91 6.214 -6.737 -9.715 317 1HD1 LEU 91 HD23 LEU 91 4.231 -5.538 -10.325 318 2HD1 LEU 91 HD21 LEU 91 4.633 -4.231 -9.087 319 3HD1 LEU 91 HD22 LEU 91 5.703 -4.542 -10.488 320 1HD2 LEU 91 HD12 LEU 91 7.635 -6.217 -7.714 321 2HD2 LEU 91 HD13 LEU 91 7.719 -4.978 -9.027 322 3HD2 LEU 91 HD11 LEU 91 6.752 -4.649 -7.538 323 H GLN 92 HN GLN 92 6.058 -8.745 -6.159 324 HA GLN 92 HA GLN 92 3.768 -10.216 -5.019 325 1HB GLN 92 HB1 GLN 92 5.304 -11.618 -3.744 326 2HB GLN 92 HB2 GLN 92 5.493 -11.863 -5.479 327 1HG GLN 92 HG1 GLN 92 7.533 -10.423 -5.559 328 2HG GLN 92 HG2 GLN 92 7.342 -9.976 -3.888 329 1HE2 GLN 92 HE21 GLN 92 8.995 -13.660 -4.256 330 2HE2 GLN 92 HE22 GLN 92 8.317 -12.997 -5.656 331 HA PRO 93 HA PRO 93 4.520 -7.150 -2.101 332 1HB PRO 93 HB1 PRO 93 2.942 -8.114 -0.040 333 2HB PRO 93 HB2 PRO 93 2.344 -7.210 -1.395 334 1HG PRO 93 HG1 PRO 93 2.109 -10.115 -0.892 335 2HG PRO 93 HG2 PRO 93 1.083 -9.073 -1.856 336 1HD PRO 93 HD1 PRO 93 2.894 -10.868 -2.923 337 2HD PRO 93 HD2 PRO 93 2.362 -9.435 -3.763 338 H GLU 94 HN GLU 94 5.046 -10.575 -1.311 339 HA GLU 94 HA GLU 94 5.695 -10.177 1.341 340 1HB GLU 94 HB1 GLU 94 6.736 -12.423 -0.461 341 2HB GLU 94 HB2 GLU 94 6.832 -12.408 1.305 342 1HG GLU 94 HG1 GLU 94 4.905 -13.607 1.223 343 2HG GLU 94 HG2 GLU 94 4.135 -11.970 1.107 344 H CYS 95 HN CYS 95 7.635 -9.546 -1.531 345 HA CYS 95 HA CYS 95 10.072 -9.509 0.125 346 1HB CYS 95 HB1 CYS 95 9.555 -9.505 -2.876 347 2HB CYS 95 HB2 CYS 95 11.138 -9.062 -2.191 348 HG1 CYS 95 HG1 CYS 95 9.447 -11.889 -1.920 349 H CYS 96 HN CYS 96 7.586 -7.427 -0.333 350 HA CYS 96 HA CYS 96 9.410 -5.123 -0.725 351 1HB CYS 96 HB1 CYS 96 6.422 -5.363 -1.282 352 2HB CYS 96 HB2 CYS 96 7.397 -3.952 -1.528 353 HG1 CYS 96 HG1 CYS 96 9.175 -4.989 -3.169 354 H ALA 97 HN ALA 97 8.476 -3.116 0.291 355 HA ALA 97 HA ALA 97 6.944 -3.722 2.731 356 1HB ALA 97 HB2 ALA 97 9.250 -3.253 3.553 357 2HB ALA 97 HB3 ALA 97 9.173 -1.637 2.713 358 3HB ALA 97 HB1 ALA 97 8.041 -1.997 4.035 359 H VAL 98 HN VAL 98 5.170 -2.456 2.868 360 HA VAL 98 HA VAL 98 4.892 -0.333 0.877 361 HB VAL 98 HB VAL 98 3.163 -2.002 0.808 362 1HG1 VAL 98 HG11 VAL 98 3.552 -2.167 3.651 363 2HG1 VAL 98 HG12 VAL 98 1.906 -1.752 3.367 364 3HG1 VAL 98 HG13 VAL 98 2.643 -3.235 2.496 365 1HG2 VAL 98 HG22 VAL 98 2.321 0.231 0.440 366 2HG2 VAL 98 HG23 VAL 98 1.113 -0.762 1.373 367 3HG2 VAL 98 HG21 VAL 98 2.042 0.439 2.247 368 H PHE 99 HN PHE 99 3.938 1.714 1.521 369 HA PHE 99 HA PHE 99 4.481 2.464 4.318 370 1HB PHE 99 HB1 PHE 99 5.878 3.591 1.813 371 2HB PHE 99 HB2 PHE 99 5.648 4.593 3.138 372 HD1 PHE 99 HD1 PHE 99 6.973 1.363 1.774 373 HD2 PHE 99 HD2 PHE 99 7.214 3.810 5.301 374 HE1 PHE 99 HE1 PHE 99 9.207 0.538 2.265 375 HE2 PHE 99 HE2 PHE 99 9.411 2.993 5.699 376 HZ PHE 99 HZ PHE 99 10.582 1.852 3.846 377 H ARG 100 HN ARG 100 3.714 4.623 4.762 378 HA ARG 100 HA ARG 100 1.726 5.678 2.818 379 1HB ARG 100 HB1 ARG 100 2.253 6.256 5.711 380 2HB ARG 100 HB2 ARG 100 1.464 7.414 4.704 381 1HG ARG 100 HG1 ARG 100 -0.431 6.168 4.145 382 2HG ARG 100 HG2 ARG 100 0.296 4.638 4.614 383 1HD ARG 100 HD1 ARG 100 -0.984 4.831 6.441 384 2HD ARG 100 HD2 ARG 100 0.469 5.652 7.073 385 HE ARG 100 HE ARG 100 -2.011 7.063 5.942 386 1HH1 ARG 100 HH22 ARG 100 1.087 7.278 7.611 387 2HH1 ARG 100 HH21 ARG 100 0.972 8.997 7.841 388 1HH2 ARG 100 HH12 ARG 100 -2.297 9.235 6.500 389 2HH2 ARG 100 HH11 ARG 100 -1.000 10.093 7.310 390 H LEU 101 HN LEU 101 2.272 7.579 1.742 391 HA LEU 101 HA LEU 101 5.088 7.999 1.654 392 1HB LEU 101 HB1 LEU 101 2.552 9.225 0.312 393 2HB LEU 101 HB2 LEU 101 4.071 9.967 -0.023 394 HG LEU 101 HG LEU 101 3.643 6.942 -0.452 395 1HD1 LEU 101 HD21 LEU 101 2.934 9.126 -2.421 396 2HD1 LEU 101 HD22 LEU 101 3.094 7.354 -2.780 397 3HD1 LEU 101 HD23 LEU 101 1.858 7.925 -1.607 398 1HD2 LEU 101 HD12 LEU 101 5.738 8.899 -1.464 399 2HD2 LEU 101 HD13 LEU 101 5.924 7.370 -0.503 400 3HD2 LEU 101 HD11 LEU 101 5.411 7.306 -2.236 401 H LEU 102 HN LEU 102 5.999 10.245 1.616 402 HA LEU 102 HA LEU 102 5.413 11.512 3.989 403 1HB LEU 102 HB1 LEU 102 7.226 12.890 3.627 404 2HB LEU 102 HB2 LEU 102 7.643 11.236 3.394 405 HG LEU 102 HG LEU 102 7.237 13.554 1.368 406 1HD1 LEU 102 HD21 LEU 102 9.436 13.410 2.380 407 2HD1 LEU 102 HD22 LEU 102 9.605 11.703 1.839 408 3HD1 LEU 102 HD23 LEU 102 9.487 13.033 0.611 409 1HD2 LEU 102 HD11 LEU 102 7.563 10.596 0.593 410 2HD2 LEU 102 HD12 LEU 102 6.111 11.699 0.252 411 3HD2 LEU 102 HD13 LEU 102 7.685 11.995 -0.514 412 H HIS 103 HN HSP 103 3.056 11.979 3.426 413 HA HIS 103 HA HSP 103 2.994 14.727 2.298 414 1HB HIS 103 HB1 HSP 103 0.577 14.568 2.246 415 2HB HIS 103 HB2 HSP 103 1.303 13.270 1.255 416 HD1 HIS 103 HD1 HSP 103 1.703 10.930 2.853 417 HD2 HIS 103 HD2 HSP 103 -1.630 13.409 3.378 418 HE1 HIS 103 HE1 HSP 103 -0.148 9.508 3.800 419 HE2 HIS 103 HE2 HSP 103 -2.201 10.968 3.815 420 H GLU 104 HN GLU 104 3.892 13.188 4.933 421 HA GLU 104 HA GLU 104 3.075 15.322 6.709 422 1HB GLU 104 HB1 GLU 104 2.320 13.396 8.401 423 2HB GLU 104 HB2 GLU 104 1.153 14.124 7.307 424 1HG GLU 104 HG1 GLU 104 1.077 12.328 5.778 425 2HG GLU 104 HG2 GLU 104 2.641 11.624 6.367 426 H HIS 105 HN HSP 105 5.480 13.935 5.390 427 HA HIS 105 HA HSP 105 6.977 13.671 7.845 428 1HB HIS 105 HB1 HSP 105 7.943 11.599 5.962 429 2HB HIS 105 HB2 HSP 105 7.787 11.541 7.704 430 HD1 HIS 105 HD1 HSP 105 4.983 11.359 8.395 431 HD2 HIS 105 HD2 HSP 105 6.299 9.814 4.728 432 HE1 HIS 105 HE1 HSP 105 3.324 9.574 7.693 433 HE2 HIS 105 HE2 HSP 105 4.098 8.746 5.431 434 H LYS 106 HN LYS 106 9.456 13.637 7.133 435 HA LYS 106 HA LYS 106 9.726 14.785 4.432 436 1HB LYS 106 HB1 LYS 106 9.815 16.559 6.179 437 2HB LYS 106 HB2 LYS 106 10.988 15.596 7.104 438 1HG LYS 106 HG1 LYS 106 12.318 17.168 6.033 439 2HG LYS 106 HG2 LYS 106 12.603 15.722 5.125 440 1HD LYS 106 HD1 LYS 106 12.327 17.511 3.489 441 2HD LYS 106 HD2 LYS 106 10.926 16.431 3.348 442 1HE LYS 106 HE1 LYS 106 10.180 18.772 3.225 443 2HE LYS 106 HE2 LYS 106 9.550 18.040 4.748 444 1HZ LYS 106 HZ1 LYS 106 11.994 19.712 4.471 445 2HZ LYS 106 HZ2 LYS 106 10.493 20.218 5.085 446 3HZ LYS 106 HZ3 LYS 106 11.401 19.044 5.912 447 H GLY 107 HN GLY 107 11.207 13.754 3.249 448 1HA GLY 107 HA2 GLY 107 13.263 12.928 2.878 449 2HA GLY 107 HA1 GLY 107 13.498 12.571 4.613 450 H LYS 108 HN LYS 108 11.047 11.042 5.074 451 HA LYS 108 HA LYS 108 11.943 8.583 3.667 452 1HB LYS 108 HB1 LYS 108 11.039 9.034 6.529 453 2HB LYS 108 HB2 LYS 108 11.420 7.444 5.757 454 1HG LYS 108 HG1 LYS 108 13.738 8.710 5.174 455 2HG LYS 108 HG2 LYS 108 13.341 9.522 6.708 456 1HD LYS 108 HD1 LYS 108 13.332 6.449 6.232 457 2HD LYS 108 HD2 LYS 108 14.784 7.328 6.722 458 1HE LYS 108 HE1 LYS 108 13.914 6.457 8.766 459 2HE LYS 108 HE2 LYS 108 13.516 8.222 8.783 460 1HZ LYS 108 HZ3 LYS 108 11.320 7.642 7.960 461 2HZ LYS 108 HZ1 LYS 108 11.714 5.992 7.997 462 3HZ LYS 108 HZ2 LYS 108 11.661 6.885 9.441 463 H LYS 109 HN LYS 109 9.953 7.104 5.055 464 HA LYS 109 HA LYS 109 7.335 8.168 4.189 465 1HB LYS 109 HB1 LYS 109 8.937 5.810 3.259 466 2HB LYS 109 HB2 LYS 109 7.651 5.352 3.604 467 1HG LYS 109 HG1 LYS 109 7.492 7.889 1.877 468 2HG LYS 109 HG2 LYS 109 9.040 7.192 1.613 469 1HD LYS 109 HD1 LYS 109 6.446 5.666 1.072 470 2HD LYS 109 HD2 LYS 109 7.442 6.380 -0.114 471 1HE LYS 109 HE1 LYS 109 8.649 4.312 1.798 472 2HE LYS 109 HE2 LYS 109 7.841 3.845 0.244 473 1HZ LYS 109 HZ1 LYS 109 9.386 5.508 -0.801 474 2HZ LYS 109 HZ2 LYS 109 10.257 5.496 0.665 475 3HZ LYS 109 HZ3 LYS 109 10.067 4.069 -0.281 476 H ALA 110 HN ALA 110 5.654 6.810 5.202 477 HA ALA 110 HA ALA 110 6.568 6.194 7.955 478 1HB ALA 110 HB3 ALA 110 3.746 6.884 7.128 479 2HB ALA 110 HB1 ALA 110 4.237 6.144 8.713 480 3HB ALA 110 HB2 ALA 110 4.831 7.772 8.279 481 H ARG 111 HN ARG 111 6.687 3.952 8.426 482 HA ARG 111 HA ARG 111 5.968 2.327 6.112 483 1HB ARG 111 HB1 ARG 111 8.295 2.398 7.175 484 2HB ARG 111 HB2 ARG 111 7.560 1.786 8.646 485 1HG ARG 111 HG1 ARG 111 6.734 0.086 6.404 486 2HG ARG 111 HG2 ARG 111 8.473 0.269 6.381 487 1HD ARG 111 HD1 ARG 111 8.066 -0.066 9.100 488 2HD ARG 111 HD2 ARG 111 6.704 -0.980 8.511 489 HE ARG 111 HE ARG 111 9.640 -1.469 7.652 490 1HH1 ARG 111 HH22 ARG 111 6.298 -2.385 7.160 491 2HH1 ARG 111 HH21 ARG 111 6.738 -3.660 6.068 492 1HH2 ARG 111 HH12 ARG 111 10.209 -3.231 6.396 493 2HH2 ARG 111 HH11 ARG 111 8.967 -4.254 5.810 494 H LEU 112 HN LEU 112 4.754 0.536 6.331 495 HA LEU 112 HA LEU 112 2.874 0.694 8.623 496 1HB LEU 112 HB1 LEU 112 2.336 -0.295 5.781 497 2HB LEU 112 HB2 LEU 112 1.142 0.050 7.073 498 HG LEU 112 HG LEU 112 2.900 2.146 5.801 499 1HD1 LEU 112 HD13 LEU 112 1.186 1.051 4.234 500 2HD1 LEU 112 HD11 LEU 112 -0.081 1.762 5.285 501 3HD1 LEU 112 HD12 LEU 112 1.098 2.845 4.431 502 1HD2 LEU 112 HD21 LEU 112 2.167 2.712 8.093 503 2HD2 LEU 112 HD22 LEU 112 1.466 3.793 6.828 504 3HD2 LEU 112 HD23 LEU 112 0.469 2.461 7.611 505 H ASP 113 HN ASP 113 1.406 -1.460 8.044 506 HA ASP 113 HA ASP 113 3.297 -3.614 8.655 507 1HB ASP 113 HB1 ASP 113 1.257 -3.117 10.268 508 2HB ASP 113 HB2 ASP 113 0.323 -4.032 8.999 509 H TRP 114 HN TRP 114 1.984 -5.902 7.731 510 HA TRP 114 HA TRP 114 1.637 -5.189 5.108 511 1HB TRP 114 HB1 TRP 114 3.650 -7.011 6.363 512 2HB TRP 114 HB2 TRP 114 2.514 -8.073 5.520 513 HD1 TRP 114 HD1 TRP 114 5.517 -7.819 4.408 514 HE1 TRP 114 HE1 TRP 114 6.077 -6.596 2.167 515 HE3 TRP 114 HE3 TRP 114 1.076 -6.222 3.745 516 HZ2 TRP 114 HZ2 TRP 114 4.295 -5.606 0.031 517 HZ3 TRP 114 HZ3 TRP 114 0.319 -5.300 1.517 518 HH2 TRP 114 HH2 TRP 114 1.864 -5.194 -0.323 519 H ASN 115 HN ASN 115 0.397 -6.215 7.989 520 HA ASN 115 HA ASN 115 -1.908 -7.414 6.552 521 1HB ASN 115 HB1 ASN 115 -0.565 -8.177 8.926 522 2HB ASN 115 HB2 ASN 115 -1.817 -7.162 9.578 523 1HD2 ASN 115 HD21 ASN 115 -4.528 -9.322 8.478 524 2HD2 ASN 115 HD22 ASN 115 -4.125 -7.659 8.719 525 H THR 116 HN THR 116 -0.994 -4.518 6.581 526 HA THR 116 HA THR 116 -2.185 -3.508 8.761 527 HB THR 116 HB THR 116 -0.225 -2.459 7.098 528 HG1 THR 116 HG1 THR 116 -1.264 -1.320 9.405 529 1HG2 THR 116 HG21 THR 116 -2.737 -0.634 7.658 530 2HG2 THR 116 HG22 THR 116 -1.104 0.060 7.861 531 3HG2 THR 116 HG23 THR 116 -1.493 -0.479 6.265 532 H ASP 117 HN ASP 117 -4.171 -2.397 9.092 533 HA ASP 117 HA ASP 117 -6.367 -2.759 7.378 534 1HB ASP 117 HB1 ASP 117 -6.054 -0.542 9.399 535 2HB ASP 117 HB2 ASP 117 -7.544 -1.424 8.815 536 H ALA 118 HN ALA 118 -5.441 -2.167 5.311 537 HA ALA 118 HA ALA 118 -4.684 0.381 4.416 538 1HB ALA 118 HB1 ALA 118 -6.576 -1.794 3.236 539 2HB ALA 118 HB2 ALA 118 -5.658 -0.565 2.265 540 3HB ALA 118 HB3 ALA 118 -4.792 -1.858 3.160 541 H ALA 119 HN ALA 119 -7.788 -0.716 5.667 542 HA ALA 119 HA ALA 119 -9.393 1.344 4.408 543 1HB ALA 119 HB1 ALA 119 -9.194 -0.764 6.739 544 2HB ALA 119 HB2 ALA 119 -10.725 0.237 6.572 545 3HB ALA 119 HB3 ALA 119 -10.205 -0.923 5.287 546 H SER 120 HN SER 120 -6.986 1.313 6.936 547 HA SER 120 HA SER 120 -8.233 3.668 8.207 548 1HB SER 120 HB1 SER 120 -5.640 2.215 8.909 549 2HB SER 120 HB2 SER 120 -6.443 3.525 9.850 550 HG SER 120 HG1 SER 120 -8.259 2.094 10.006 551 H LEU 121 HN LEU 121 -6.010 2.711 5.729 552 HA LEU 121 HA LEU 121 -4.656 5.358 5.803 553 1HB LEU 121 HB1 LEU 121 -4.000 2.968 4.008 554 2HB LEU 121 HB2 LEU 121 -3.060 4.378 4.209 555 HG LEU 121 HG LEU 121 -1.871 2.940 5.632 556 1HD1 LEU 121 HD23 LEU 121 -2.972 4.859 7.073 557 2HD1 LEU 121 HD21 LEU 121 -4.048 3.612 7.686 558 3HD1 LEU 121 HD22 LEU 121 -2.263 3.403 7.944 559 1HD2 LEU 121 HD11 LEU 121 -4.562 1.580 5.971 560 2HD2 LEU 121 HD12 LEU 121 -2.972 0.878 5.531 561 3HD2 LEU 121 HD13 LEU 121 -3.329 1.360 7.259 562 H ILE 122 HN ILE 122 -7.145 3.822 4.784 563 HA ILE 122 HA ILE 122 -7.555 4.325 2.261 564 HB ILE 122 HB ILE 122 -9.309 3.513 4.102 565 1HG1 ILE 122 HG11 ILE 122 -11.107 3.699 2.224 566 2HG1 ILE 122 HG12 ILE 122 -9.623 4.106 1.240 567 1HG2 ILE 122 HG21 ILE 122 -9.956 5.772 4.893 568 2HG2 ILE 122 HG22 ILE 122 -10.562 6.145 3.211 569 3HG2 ILE 122 HG23 ILE 122 -11.339 4.854 4.155 570 1HD1 ILE 122 HD1 ILE 122 -8.561 2.028 2.364 571 2HD1 ILE 122 HD2 ILE 122 -10.343 1.509 2.366 572 3HD1 ILE 122 HD3 ILE 122 -9.539 1.965 0.856 573 H GLY 123 HN GLY 123 -8.257 5.845 0.891 574 1HA GLY 123 HA2 GLY 123 -8.249 7.901 -0.060 575 2HA GLY 123 HA1 GLY 123 -8.744 8.503 1.563 576 H GLU 124 HN GLU 124 -5.623 6.901 0.554 577 HA GLU 124 HA GLU 124 -4.257 9.447 1.119 578 1HB GLU 124 HB1 GLU 124 -3.374 6.712 2.138 579 2HB GLU 124 HB2 GLU 124 -2.532 8.248 2.358 580 1HG GLU 124 HG1 GLU 124 -5.421 8.009 3.377 581 2HG GLU 124 HG2 GLU 124 -4.169 7.079 4.213 582 H GLU 125 HN GLU 125 -1.777 8.683 0.650 583 HA GLU 125 HA GLU 125 -1.823 7.254 -1.935 584 1HB GLU 125 HB1 GLU 125 -0.138 9.701 -1.241 585 2HB GLU 125 HB2 GLU 125 0.316 8.562 -2.502 586 1HG GLU 125 HG1 GLU 125 -1.045 9.098 -4.075 587 2HG GLU 125 HG2 GLU 125 -2.453 9.240 -2.977 588 H LEU 126 HN LEU 126 -0.720 5.399 -1.791 589 HA LEU 126 HA LEU 126 1.120 5.223 0.448 590 1HB LEU 126 HB1 LEU 126 -0.085 2.942 -1.209 591 2HB LEU 126 HB2 LEU 126 1.032 2.739 0.140 592 HG LEU 126 HG LEU 126 -1.883 3.462 0.245 593 1HD1 LEU 126 HD23 LEU 126 -1.050 1.161 0.786 594 2HD1 LEU 126 HD21 LEU 126 -0.041 1.854 2.111 595 3HD1 LEU 126 HD22 LEU 126 -1.843 1.971 2.196 596 1HD2 LEU 126 HD11 LEU 126 0.169 4.392 2.339 597 2HD2 LEU 126 HD12 LEU 126 -1.037 5.415 1.408 598 3HD2 LEU 126 HD13 LEU 126 -1.601 4.242 2.628 599 H GLN 127 HN GLN 127 3.002 3.639 0.044 600 HA GLN 127 HA GLN 127 3.835 3.645 -2.768 601 1HB GLN 127 HB1 GLN 127 5.072 5.533 -1.254 602 2HB GLN 127 HB2 GLN 127 5.989 4.169 -0.705 603 1HG GLN 127 HG1 GLN 127 6.012 3.832 -3.553 604 2HG GLN 127 HG2 GLN 127 6.037 5.659 -3.321 605 1HE2 GLN 127 HE21 GLN 127 9.370 3.584 -2.310 606 2HE2 GLN 127 HE22 GLN 127 7.953 2.737 -2.853 607 H VAL 128 HN VAL 128 5.362 1.880 -3.188 608 HA VAL 128 HA VAL 128 5.675 0.062 -0.871 609 HB VAL 128 HB VAL 128 5.040 -0.631 -3.753 610 1HG1 VAL 128 HG11 VAL 128 6.120 -2.471 -1.517 611 2HG1 VAL 128 HG12 VAL 128 5.433 -3.024 -3.094 612 3HG1 VAL 128 HG13 VAL 128 6.953 -2.084 -3.088 613 1HG2 VAL 128 HG22 VAL 128 3.120 -0.391 -2.147 614 2HG2 VAL 128 HG23 VAL 128 3.329 -2.033 -2.855 615 3HG2 VAL 128 HG21 VAL 128 3.846 -1.696 -1.133 616 H ASP 129 HN ASP 129 7.727 -0.796 -0.611 617 HA ASP 129 HA ASP 129 9.719 0.109 -2.564 618 1HB ASP 129 HB1 ASP 129 9.283 1.387 -0.046 619 2HB ASP 129 HB2 ASP 129 10.584 0.214 0.331 620 H PHE 130 HN PHE 130 11.966 -0.844 -0.994 621 HA PHE 130 HA PHE 130 11.691 -3.607 -1.485 622 1HB PHE 130 HB1 PHE 130 13.812 -1.994 0.061 623 2HB PHE 130 HB2 PHE 130 13.946 -3.756 -0.271 624 HD1 PHE 130 HD2 PHE 130 14.086 -4.617 -2.591 625 HD2 PHE 130 HD1 PHE 130 14.101 -0.409 -1.795 626 HE1 PHE 130 HE2 PHE 130 14.894 -4.182 -4.859 627 HE2 PHE 130 HE1 PHE 130 14.905 0.003 -4.068 628 HZ PHE 130 HZ PHE 130 15.304 -1.874 -5.608 629 H LEU 131 HN LEU 131 12.163 -5.228 0.249 630 HA LEU 131 HA LEU 131 10.226 -5.157 2.009 631 1HB LEU 131 HB1 LEU 131 11.876 -7.066 3.242 632 2HB LEU 131 HB2 LEU 131 10.840 -7.410 1.775 633 HG LEU 131 HG LEU 131 12.781 -6.867 0.322 634 1HD1 LEU 131 HD21 LEU 131 14.264 -6.610 3.014 635 2HD1 LEU 131 HD22 LEU 131 15.088 -6.950 1.442 636 3HD1 LEU 131 HD23 LEU 131 14.202 -5.414 1.646 637 1HD2 LEU 131 HD13 LEU 131 12.292 -9.187 0.892 638 2HD2 LEU 131 HD11 LEU 131 14.056 -8.878 0.691 639 3HD2 LEU 131 HD12 LEU 131 13.352 -9.067 2.347 640 H ASP 132 HN ASP 132 13.243 -3.910 2.420 641 HA ASP 132 HA ASP 132 13.539 -3.880 5.134 642 1HB ASP 132 HB1 ASP 132 14.281 -1.420 3.442 643 2HB ASP 132 HB2 ASP 132 15.042 -1.960 5.006 No H/Q in entry = 643 Start of MODEL 12 1 1H SER 55 HT1 SER 55 -13.820 7.310 3.039 2 2H SER 55 HT3 SER 55 -12.161 7.289 3.288 3 3H SER 55 HT2 SER 55 -12.880 8.631 2.509 4 HA SER 55 HA SER 55 -13.495 7.280 0.655 5 1HB SER 55 HB1 SER 55 -11.088 8.344 0.938 6 2HB SER 55 HB2 SER 55 -10.545 6.660 1.247 7 HG SER 55 HG1 SER 55 -11.625 7.843 -1.064 8 H ASN 56 HN ASN 56 -12.580 5.200 -0.528 9 HA ASN 56 HA ASN 56 -12.236 2.970 1.353 10 1HB ASN 56 HB1 ASN 56 -14.662 3.027 0.686 11 2HB ASN 56 HB2 ASN 56 -14.116 2.730 -1.017 12 1HD2 ASN 56 HD21 ASN 56 -13.602 -0.759 -0.256 13 2HD2 ASN 56 HD22 ASN 56 -13.469 0.486 -1.432 14 H THR 57 HN THR 57 -10.750 4.909 -0.564 15 HA THR 57 HA THR 57 -9.552 2.798 -2.258 16 HB THR 57 HB THR 57 -9.308 4.344 -4.110 17 HG1 THR 57 HG1 THR 57 -10.509 6.112 -2.255 18 1HG2 THR 57 HG23 THR 57 -11.535 3.108 -3.990 19 2HG2 THR 57 HG21 THR 57 -12.235 4.549 -3.144 20 3HG2 THR 57 HG22 THR 57 -11.630 4.706 -4.832 21 H ILE 58 HN ILE 58 -7.301 3.107 -2.609 22 HA ILE 58 HA ILE 58 -6.152 5.475 -1.425 23 HB ILE 58 HB ILE 58 -4.526 3.009 -0.854 24 1HG1 ILE 58 HG11 ILE 58 -5.703 2.936 1.503 25 2HG1 ILE 58 HG12 ILE 58 -7.135 3.445 0.591 26 1HG2 ILE 58 HG21 ILE 58 -4.941 5.683 0.546 27 2HG2 ILE 58 HG22 ILE 58 -4.098 4.323 1.319 28 3HG2 ILE 58 HG23 ILE 58 -3.455 4.994 -0.230 29 1HD1 ILE 58 HD2 ILE 58 -5.341 1.029 -0.159 30 2HD1 ILE 58 HD3 ILE 58 -6.796 0.914 0.884 31 3HD1 ILE 58 HD1 ILE 58 -6.976 1.430 -0.838 32 H ARG 59 HN ARG 59 -3.636 5.539 -2.210 33 HA ARG 59 HA ARG 59 -3.717 4.383 -4.923 34 1HB ARG 59 HB1 ARG 59 -2.289 6.754 -3.685 35 2HB ARG 59 HB2 ARG 59 -1.912 6.093 -5.289 36 1HG ARG 59 HG1 ARG 59 -3.320 7.771 -5.842 37 2HG ARG 59 HG2 ARG 59 -4.398 6.373 -5.923 38 1HD ARG 59 HD1 ARG 59 -5.787 7.809 -4.724 39 2HD ARG 59 HD2 ARG 59 -4.840 7.214 -3.309 40 HE ARG 59 HE ARG 59 -4.010 9.685 -4.886 41 1HH1 ARG 59 HH22 ARG 59 -5.841 8.517 -2.180 42 2HH1 ARG 59 HH21 ARG 59 -6.086 10.109 -1.578 43 1HH2 ARG 59 HH12 ARG 59 -3.427 11.462 -3.379 44 2HH2 ARG 59 HH11 ARG 59 -4.754 11.833 -2.347 45 H VAL 60 HN VAL 60 -1.590 3.718 -5.727 46 HA VAL 60 HA VAL 60 0.209 2.855 -3.557 47 HB VAL 60 HB VAL 60 -1.303 0.898 -4.246 48 1HG1 VAL 60 HG12 VAL 60 -1.524 1.485 -6.610 49 2HG1 VAL 60 HG13 VAL 60 0.193 0.966 -6.872 50 3HG1 VAL 60 HG11 VAL 60 -1.031 -0.219 -6.287 51 1HG2 VAL 60 HG23 VAL 60 0.934 0.594 -3.145 52 2HG2 VAL 60 HG21 VAL 60 0.468 -0.735 -4.273 53 3HG2 VAL 60 HG22 VAL 60 1.683 0.479 -4.794 54 H PHE 61 HN PHE 61 2.398 2.614 -4.305 55 HA PHE 61 HA PHE 61 2.880 3.619 -7.027 56 1HB PHE 61 HB1 PHE 61 3.834 4.775 -4.392 57 2HB PHE 61 HB2 PHE 61 4.942 4.828 -5.874 58 HD1 PHE 61 HD2 PHE 61 1.520 5.666 -4.525 59 HD2 PHE 61 HD1 PHE 61 4.497 6.532 -7.469 60 HE1 PHE 61 HE2 PHE 61 0.351 7.722 -5.099 61 HE2 PHE 61 HE1 PHE 61 3.330 8.621 -8.000 62 HZ PHE 61 HZ PHE 61 1.285 9.247 -6.771 63 H LEU 62 HN LEU 62 4.661 2.535 -8.033 64 HA LEU 62 HA LEU 62 5.309 0.154 -6.442 65 1HB LEU 62 HB1 LEU 62 5.524 0.839 -9.382 66 2HB LEU 62 HB2 LEU 62 6.434 -0.537 -8.700 67 HG LEU 62 HG LEU 62 4.159 -1.077 -9.736 68 1HD1 LEU 62 HD13 LEU 62 5.496 -2.655 -8.325 69 2HD1 LEU 62 HD11 LEU 62 4.613 -2.035 -6.864 70 3HD1 LEU 62 HD12 LEU 62 3.710 -2.865 -8.176 71 1HD2 LEU 62 HD21 LEU 62 2.854 0.752 -8.683 72 2HD2 LEU 62 HD22 LEU 62 2.184 -0.890 -8.377 73 3HD2 LEU 62 HD23 LEU 62 3.088 -0.051 -7.068 74 HA PRO 63 HA PRO 63 9.389 1.575 -6.068 75 1HB PRO 63 HB1 PRO 63 10.412 -1.158 -6.484 76 2HB PRO 63 HB2 PRO 63 10.607 -0.102 -5.105 77 1HG PRO 63 HG1 PRO 63 8.919 -2.333 -5.267 78 2HG PRO 63 HG2 PRO 63 8.777 -1.099 -4.067 79 1HD PRO 63 HD1 PRO 63 6.893 -1.623 -6.153 80 2HD PRO 63 HD2 PRO 63 6.819 -0.357 -5.000 81 H ASN 64 HN ASN 64 8.024 -0.028 -8.800 82 HA ASN 64 HA ASN 64 10.384 0.532 -10.416 83 1HB ASN 64 HB1 ASN 64 8.578 -1.506 -10.689 84 2HB ASN 64 HB2 ASN 64 7.716 -0.258 -11.655 85 1HD2 ASN 64 HD21 ASN 64 10.355 -0.156 -14.183 86 2HD2 ASN 64 HD22 ASN 64 9.205 0.855 -13.372 87 H LYS 65 HN LYS 65 8.542 2.486 -8.846 88 HA LYS 65 HA LYS 65 8.145 4.612 -9.126 89 1HB LYS 65 HB1 LYS 65 8.717 4.485 -12.115 90 2HB LYS 65 HB2 LYS 65 8.753 5.911 -11.045 91 1HG LYS 65 HG1 LYS 65 10.658 3.505 -10.801 92 2HG LYS 65 HG2 LYS 65 11.027 4.961 -11.728 93 1HD LYS 65 HD1 LYS 65 11.953 5.808 -9.833 94 2HD LYS 65 HD2 LYS 65 10.284 6.092 -9.276 95 1HE LYS 65 HE1 LYS 65 11.543 4.940 -7.518 96 2HE LYS 65 HE2 LYS 65 10.270 3.831 -8.153 97 1HZ LYS 65 HZ2 LYS 65 12.471 3.430 -9.736 98 2HZ LYS 65 HZ3 LYS 65 13.091 3.562 -8.158 99 3HZ LYS 65 HZ1 LYS 65 11.881 2.418 -8.510 100 H GLN 66 HN GLN 66 6.515 2.147 -10.575 101 HA GLN 66 HA GLN 66 4.603 3.668 -11.788 102 1HB GLN 66 HB1 GLN 66 4.904 0.782 -11.346 103 2HB GLN 66 HB2 GLN 66 3.291 1.165 -11.108 104 1HG GLN 66 HG1 GLN 66 4.413 2.502 -13.555 105 2HG GLN 66 HG2 GLN 66 4.601 0.712 -13.574 106 1HE2 GLN 66 HE21 GLN 66 0.815 2.450 -13.617 107 2HE2 GLN 66 HE22 GLN 66 2.233 3.410 -13.458 108 H ARG 67 HN ARG 67 2.086 2.851 -11.156 109 HA ARG 67 HA ARG 67 1.519 3.297 -8.422 110 1HB ARG 67 HB1 ARG 67 0.444 5.562 -8.811 111 2HB ARG 67 HB2 ARG 67 2.219 5.560 -8.711 112 1HG ARG 67 HG1 ARG 67 1.227 5.191 -11.495 113 2HG ARG 67 HG2 ARG 67 0.624 6.671 -10.756 114 1HD ARG 67 HD1 ARG 67 2.906 7.465 -10.244 115 2HD ARG 67 HD2 ARG 67 3.609 5.888 -10.767 116 HE ARG 67 HE ARG 67 2.007 7.602 -12.701 117 1HH1 ARG 67 HH22 ARG 67 5.208 6.582 -11.636 118 2HH1 ARG 67 HH21 ARG 67 5.965 7.545 -12.841 119 1HH2 ARG 67 HH12 ARG 67 3.035 8.031 -14.701 120 2HH2 ARG 67 HH11 ARG 67 4.745 8.286 -14.644 121 H THR 68 HN THR 68 -0.846 3.705 -8.142 122 HA THR 68 HA THR 68 -2.584 3.734 -10.283 123 HB THR 68 HB THR 68 -1.926 1.398 -10.835 124 HG1 THR 68 HG1 THR 68 -4.392 1.057 -9.702 125 1HG2 THR 68 HG23 THR 68 -2.893 0.713 -7.986 126 2HG2 THR 68 HG21 THR 68 -2.507 -0.464 -9.296 127 3HG2 THR 68 HG22 THR 68 -1.201 0.568 -8.615 128 H VAL 69 HN VAL 69 -4.917 3.198 -9.408 129 HA VAL 69 HA VAL 69 -4.924 3.866 -6.525 130 HB VAL 69 HB VAL 69 -6.159 5.555 -7.604 131 1HG1 VAL 69 HG11 VAL 69 -7.663 3.364 -9.152 132 2HG1 VAL 69 HG12 VAL 69 -8.051 5.126 -9.153 133 3HG1 VAL 69 HG13 VAL 69 -6.489 4.563 -9.844 134 1HG2 VAL 69 HG23 VAL 69 -7.130 4.683 -5.547 135 2HG2 VAL 69 HG21 VAL 69 -8.299 5.449 -6.679 136 3HG2 VAL 69 HG22 VAL 69 -8.251 3.659 -6.549 137 H VAL 70 HN VAL 70 -6.209 2.565 -5.153 138 HA VAL 70 HA VAL 70 -7.081 0.022 -6.407 139 HB VAL 70 HB VAL 70 -6.322 -1.191 -4.422 140 1HG1 VAL 70 HG11 VAL 70 -4.063 0.336 -5.817 141 2HG1 VAL 70 HG12 VAL 70 -3.885 -1.155 -4.824 142 3HG1 VAL 70 HG13 VAL 70 -4.835 -1.201 -6.367 143 1HG2 VAL 70 HG21 VAL 70 -6.332 0.674 -2.774 144 2HG2 VAL 70 HG22 VAL 70 -4.803 -0.267 -2.790 145 3HG2 VAL 70 HG23 VAL 70 -4.845 1.351 -3.576 146 H ASN 71 HN ASN 71 -8.706 -1.097 -5.117 147 HA ASN 71 HA ASN 71 -10.238 0.791 -3.447 148 1HB ASN 71 HB1 ASN 71 -11.190 -0.345 -5.832 149 2HB ASN 71 HB2 ASN 71 -11.686 -1.581 -4.611 150 1HD2 ASN 71 HD21 ASN 71 -14.211 1.353 -4.943 151 2HD2 ASN 71 HD22 ASN 71 -13.300 0.552 -6.175 152 H VAL 72 HN VAL 72 -11.064 -0.127 -1.496 153 HA VAL 72 HA VAL 72 -9.458 -2.443 -0.689 154 HB VAL 72 HB VAL 72 -11.116 -0.486 0.925 155 1HG1 VAL 72 HG12 VAL 72 -9.649 -3.029 1.852 156 2HG1 VAL 72 HG13 VAL 72 -10.193 -1.690 2.935 157 3HG1 VAL 72 HG11 VAL 72 -11.413 -2.636 2.023 158 1HG2 VAL 72 HG22 VAL 72 -8.108 -1.114 0.856 159 2HG2 VAL 72 HG23 VAL 72 -8.897 0.364 0.239 160 3HG2 VAL 72 HG21 VAL 72 -8.919 -0.044 2.033 161 H ARG 73 HN ARG 73 -10.296 -4.442 -0.798 162 HA ARG 73 HA ARG 73 -13.203 -4.700 -1.146 163 1HB ARG 73 HB1 ARG 73 -10.800 -6.479 -1.624 164 2HB ARG 73 HB2 ARG 73 -12.374 -7.237 -1.315 165 1HG ARG 73 HG1 ARG 73 -12.041 -7.029 -3.723 166 2HG ARG 73 HG2 ARG 73 -13.259 -5.810 -3.305 167 1HD ARG 73 HD1 ARG 73 -11.756 -3.988 -3.629 168 2HD ARG 73 HD2 ARG 73 -10.287 -5.027 -3.372 169 HE ARG 73 HE ARG 73 -12.077 -5.463 -5.775 170 1HH1 ARG 73 HH22 ARG 73 -9.598 -3.431 -4.576 171 2HH1 ARG 73 HH21 ARG 73 -8.900 -3.194 -6.147 172 1HH2 ARG 73 HH12 ARG 73 -10.886 -5.589 -7.767 173 2HH2 ARG 73 HH11 ARG 73 -9.699 -4.350 -7.974 174 H ASN 74 HN ASN 74 -14.130 -6.671 0.164 175 HA ASN 74 HA ASN 74 -13.614 -5.886 2.887 176 1HB ASN 74 HB1 ASN 74 -15.530 -8.073 1.994 177 2HB ASN 74 HB2 ASN 74 -15.573 -7.123 3.502 178 1HD2 ASN 74 HD21 ASN 74 -16.983 -4.163 1.953 179 2HD2 ASN 74 HD22 ASN 74 -16.047 -4.733 3.291 180 H GLY 75 HN GLY 75 -12.152 -6.857 4.128 181 1HA GLY 75 HA2 GLY 75 -11.482 -8.584 5.241 182 2HA GLY 75 HA1 GLY 75 -11.820 -9.791 3.918 183 H MET 76 HN MET 76 -10.363 -7.036 2.733 184 HA MET 76 HA MET 76 -7.815 -8.319 2.612 185 1HB MET 76 HB1 MET 76 -8.816 -5.682 1.370 186 2HB MET 76 HB2 MET 76 -7.312 -6.143 1.194 187 1HG MET 76 HG1 MET 76 -8.225 -7.117 -0.795 188 2HG MET 76 HG2 MET 76 -7.960 -8.524 0.301 189 1HE MET 76 HE1 MET 76 -9.592 -9.377 -1.876 190 2HE MET 76 HE2 MET 76 -9.471 -10.483 -0.458 191 3HE MET 76 HE3 MET 76 -11.067 -10.105 -1.163 192 H SER 77 HN SER 77 -5.795 -7.391 3.174 193 HA SER 77 HA SER 77 -5.769 -4.736 4.340 194 1HB SER 77 HB1 SER 77 -5.111 -7.139 6.028 195 2HB SER 77 HB2 SER 77 -4.362 -5.514 6.186 196 HG SER 77 HG1 SER 77 -6.249 -5.861 7.522 197 H LEU 78 HN LEU 78 -4.072 -3.883 3.852 198 HA LEU 78 HA LEU 78 -2.372 -3.464 2.447 199 1HB LEU 78 HB1 LEU 78 -1.844 -4.655 5.090 200 2HB LEU 78 HB2 LEU 78 -0.507 -4.911 4.079 201 HG LEU 78 HG LEU 78 -0.155 -2.815 5.244 202 1HD1 LEU 78 HD21 LEU 78 0.440 -3.053 2.650 203 2HD1 LEU 78 HD22 LEU 78 -0.902 -1.869 2.460 204 3HD1 LEU 78 HD23 LEU 78 0.329 -1.313 3.462 205 1HD2 LEU 78 HD12 LEU 78 -2.704 -1.985 3.800 206 2HD2 LEU 78 HD13 LEU 78 -2.290 -1.807 5.537 207 3HD2 LEU 78 HD11 LEU 78 -1.449 -0.781 4.335 208 H HIS 79 HN HSP 79 -1.408 -6.674 3.523 209 HA HIS 79 HA HSP 79 -0.027 -7.155 1.097 210 1HB HIS 79 HB1 HSP 79 -0.469 -8.666 3.619 211 2HB HIS 79 HB2 HSP 79 -0.738 -9.750 2.255 212 HD1 HIS 79 HD1 HSP 79 1.518 -8.220 0.434 213 HD2 HIS 79 HD2 HSP 79 2.057 -9.763 4.278 214 HE1 HIS 79 HE1 HSP 79 4.010 -8.419 0.901 215 HE2 HIS 79 HE2 HSP 79 4.257 -9.585 3.058 216 H ASP 80 HN ASP 80 -3.181 -8.385 2.401 217 HA ASP 80 HA ASP 80 -3.732 -9.711 -0.119 218 1HB ASP 80 HB1 ASP 80 -5.539 -9.195 2.281 219 2HB ASP 80 HB2 ASP 80 -5.854 -10.310 0.882 220 H CYS 81 HN CYS 81 -3.826 -6.484 1.008 221 HA CYS 81 HA CYS 81 -6.186 -5.885 -0.621 222 1HB CYS 81 HB1 CYS 81 -5.442 -4.946 1.937 223 2HB CYS 81 HB2 CYS 81 -4.759 -3.721 0.911 224 HG1 CYS 81 HG1 CYS 81 -6.708 -3.232 -0.724 225 H LEU 82 HN LEU 82 -2.737 -5.653 -0.494 226 HA LEU 82 HA LEU 82 -2.587 -3.978 -2.905 227 1HB LEU 82 HB1 LEU 82 -0.572 -5.453 -1.062 228 2HB LEU 82 HB2 LEU 82 -0.036 -4.638 -2.461 229 HG LEU 82 HG LEU 82 -0.579 -3.665 0.153 230 1HD1 LEU 82 HD13 LEU 82 0.023 -2.052 -2.461 231 2HD1 LEU 82 HD11 LEU 82 0.321 -1.425 -0.776 232 3HD1 LEU 82 HD12 LEU 82 1.298 -2.792 -1.441 233 1HD2 LEU 82 HD21 LEU 82 -2.491 -2.418 -1.779 234 2HD2 LEU 82 HD22 LEU 82 -2.762 -3.168 -0.161 235 3HD2 LEU 82 HD23 LEU 82 -1.889 -1.611 -0.239 236 H MET 83 HN MET 83 -2.014 -7.234 -1.785 237 HA MET 83 HA MET 83 -1.080 -8.571 -3.823 238 1HB MET 83 HB1 MET 83 -2.411 -9.594 -1.888 239 2HB MET 83 HB2 MET 83 -3.939 -8.955 -2.586 240 1HG MET 83 HG1 MET 83 -2.024 -10.770 -4.125 241 2HG MET 83 HG2 MET 83 -2.668 -11.450 -2.646 242 1HE MET 83 HE3 MET 83 -5.115 -12.073 -2.104 243 2HE MET 83 HE1 MET 83 -5.625 -10.354 -2.230 244 3HE MET 83 HE2 MET 83 -6.554 -11.630 -3.077 245 H LYS 84 HN LYS 84 -4.519 -7.609 -3.896 246 HA LYS 84 HA LYS 84 -5.336 -7.535 -6.343 247 1HB LYS 84 HB1 LYS 84 -4.896 -5.079 -4.488 248 2HB LYS 84 HB2 LYS 84 -5.632 -4.818 -6.119 249 1HG LYS 84 HG1 LYS 84 -7.424 -4.914 -4.681 250 2HG LYS 84 HG2 LYS 84 -7.365 -6.428 -5.611 251 1HD LYS 84 HD1 LYS 84 -5.881 -6.654 -3.060 252 2HD LYS 84 HD2 LYS 84 -7.479 -6.008 -2.729 253 1HE LYS 84 HE1 LYS 84 -6.985 -8.614 -4.323 254 2HE LYS 84 HE2 LYS 84 -7.464 -8.518 -2.583 255 1HZ LYS 84 HZ2 LYS 84 -9.028 -7.245 -4.750 256 2HZ LYS 84 HZ3 LYS 84 -9.280 -8.847 -4.236 257 3HZ LYS 84 HZ1 LYS 84 -9.487 -7.544 -3.155 258 H ALA 85 HN ALA 85 -3.352 -4.916 -5.342 259 HA ALA 85 HA ALA 85 -3.107 -4.064 -7.973 260 1HB ALA 85 HB1 ALA 85 -2.923 -2.833 -5.515 261 2HB ALA 85 HB2 ALA 85 -1.229 -3.479 -5.440 262 3HB ALA 85 HB3 ALA 85 -1.644 -2.211 -6.655 263 H LEU 86 HN LEU 86 -1.278 -6.417 -6.600 264 HA LEU 86 HA LEU 86 1.098 -5.945 -8.413 265 1HB LEU 86 HB1 LEU 86 0.725 -7.561 -5.846 266 2HB LEU 86 HB2 LEU 86 2.193 -7.333 -6.619 267 HG LEU 86 HG LEU 86 0.444 -4.942 -5.649 268 1HD1 LEU 86 HD21 LEU 86 0.561 -6.380 -3.849 269 2HD1 LEU 86 HD22 LEU 86 2.348 -6.377 -3.906 270 3HD1 LEU 86 HD23 LEU 86 1.411 -4.817 -3.597 271 1HD2 LEU 86 HD11 LEU 86 2.210 -4.305 -7.204 272 2HD2 LEU 86 HD12 LEU 86 2.410 -3.606 -5.563 273 3HD2 LEU 86 HD13 LEU 86 3.443 -5.017 -6.088 274 H LYS 87 HN LYS 87 -1.035 -8.333 -6.886 275 HA LYS 87 HA LYS 87 -0.519 -10.435 -8.463 276 1HB LYS 87 HB1 LYS 87 -2.692 -9.819 -6.836 277 2HB LYS 87 HB2 LYS 87 -3.486 -9.456 -8.358 278 1HG LYS 87 HG1 LYS 87 -1.945 -12.084 -7.918 279 2HG LYS 87 HG2 LYS 87 -3.303 -11.746 -6.855 280 1HD LYS 87 HD1 LYS 87 -4.811 -11.475 -8.925 281 2HD LYS 87 HD2 LYS 87 -3.418 -11.860 -9.950 282 1HE LYS 87 HE1 LYS 87 -4.748 -13.884 -9.744 283 2HE LYS 87 HE2 LYS 87 -3.234 -14.139 -8.786 284 1HZ LYS 87 HZ3 LYS 87 -4.467 -13.511 -6.816 285 2HZ LYS 87 HZ1 LYS 87 -5.877 -13.290 -7.728 286 3HZ LYS 87 HZ2 LYS 87 -5.184 -14.836 -7.600 287 H VAL 88 HN VAL 88 -2.648 -7.773 -9.327 288 HA VAL 88 HA VAL 88 -3.168 -8.499 -11.923 289 HB VAL 88 HB VAL 88 -4.260 -6.602 -10.659 290 1HG1 VAL 88 HG13 VAL 88 -2.093 -5.554 -9.885 291 2HG1 VAL 88 HG11 VAL 88 -1.949 -4.841 -11.564 292 3HG1 VAL 88 HG12 VAL 88 -3.335 -4.400 -10.608 293 1HG2 VAL 88 HG22 VAL 88 -4.573 -6.681 -13.170 294 2HG2 VAL 88 HG23 VAL 88 -4.526 -4.988 -12.484 295 3HG2 VAL 88 HG21 VAL 88 -3.096 -5.603 -13.328 296 H ARG 89 HN ARG 89 -0.198 -7.208 -10.589 297 HA ARG 89 HA ARG 89 1.010 -6.629 -13.187 298 1HB ARG 89 HB1 ARG 89 2.261 -6.819 -10.418 299 2HB ARG 89 HB2 ARG 89 2.928 -6.051 -11.836 300 1HG ARG 89 HG1 ARG 89 0.656 -4.665 -11.718 301 2HG ARG 89 HG2 ARG 89 0.534 -5.229 -10.135 302 1HD ARG 89 HD1 ARG 89 2.651 -4.399 -9.333 303 2HD ARG 89 HD2 ARG 89 3.121 -3.825 -10.968 304 HE ARG 89 HE ARG 89 0.735 -2.797 -9.315 305 1HH1 ARG 89 HH22 ARG 89 2.483 -2.669 -12.331 306 2HH1 ARG 89 HH21 ARG 89 1.791 -1.149 -12.808 307 1HH2 ARG 89 HH12 ARG 89 0.096 -0.628 -9.778 308 2HH2 ARG 89 HH11 ARG 89 0.380 -0.026 -11.376 309 H GLY 90 HN GLY 90 1.252 -8.912 -10.505 310 1HA GLY 90 HA2 GLY 90 1.771 -11.212 -10.814 311 2HA GLY 90 HA1 GLY 90 2.757 -10.817 -12.260 312 H LEU 91 HN LEU 91 2.690 -8.931 -9.231 313 HA LEU 91 HA LEU 91 5.563 -9.511 -8.960 314 1HB LEU 91 HB1 LEU 91 3.793 -7.192 -8.002 315 2HB LEU 91 HB2 LEU 91 5.493 -7.391 -7.542 316 HG LEU 91 HG LEU 91 4.299 -6.582 -10.201 317 1HD1 LEU 91 HD23 LEU 91 5.240 -4.893 -8.651 318 2HD1 LEU 91 HD21 LEU 91 6.848 -5.709 -8.757 319 3HD1 LEU 91 HD22 LEU 91 6.108 -4.974 -10.234 320 1HD2 LEU 91 HD11 LEU 91 6.906 -8.145 -10.000 321 2HD2 LEU 91 HD12 LEU 91 5.439 -8.511 -10.985 322 3HD2 LEU 91 HD13 LEU 91 6.436 -7.066 -11.386 323 H GLN 92 HN GLN 92 6.395 -9.357 -6.681 324 HA GLN 92 HA GLN 92 4.506 -10.704 -4.829 325 1HB GLN 92 HB1 GLN 92 7.542 -10.815 -5.046 326 2HB GLN 92 HB2 GLN 92 6.650 -11.414 -3.666 327 1HG GLN 92 HG1 GLN 92 5.301 -12.728 -5.749 328 2HG GLN 92 HG2 GLN 92 6.804 -12.428 -6.567 329 1HE2 GLN 92 HE21 GLN 92 7.080 -15.293 -3.682 330 2HE2 GLN 92 HE22 GLN 92 5.746 -14.303 -3.570 331 HA PRO 93 HA PRO 93 5.571 -7.063 -2.583 332 1HB PRO 93 HB1 PRO 93 3.504 -7.239 -0.779 333 2HB PRO 93 HB2 PRO 93 3.394 -6.448 -2.313 334 1HG PRO 93 HG1 PRO 93 2.339 -9.103 -1.432 335 2HG PRO 93 HG2 PRO 93 1.693 -8.037 -2.666 336 1HD PRO 93 HD1 PRO 93 3.113 -10.369 -3.160 337 2HD PRO 93 HD2 PRO 93 3.029 -9.048 -4.302 338 H GLU 94 HN GLU 94 5.384 -10.342 -1.668 339 HA GLU 94 HA GLU 94 5.548 -10.156 1.057 340 1HB GLU 94 HB1 GLU 94 6.989 -12.314 -0.579 341 2HB GLU 94 HB2 GLU 94 6.568 -12.417 1.137 342 1HG GLU 94 HG1 GLU 94 4.760 -13.582 0.376 343 2HG GLU 94 HG2 GLU 94 4.046 -11.926 0.208 344 H CYS 95 HN CYS 95 8.012 -9.374 -1.296 345 HA CYS 95 HA CYS 95 10.110 -9.552 0.794 346 1HB CYS 95 HB1 CYS 95 10.211 -9.415 -2.259 347 2HB CYS 95 HB2 CYS 95 11.638 -9.352 -1.200 348 HG1 CYS 95 HG1 CYS 95 11.339 -11.772 -2.273 349 H CYS 96 HN CYS 96 7.929 -7.333 0.041 350 HA CYS 96 HA CYS 96 9.904 -5.164 -0.338 351 1HB CYS 96 HB1 CYS 96 6.899 -5.225 -0.869 352 2HB CYS 96 HB2 CYS 96 7.994 -3.894 -1.207 353 HG1 CYS 96 HG1 CYS 96 9.657 -5.263 -2.768 354 H ALA 97 HN ALA 97 9.077 -3.060 0.565 355 HA ALA 97 HA ALA 97 7.798 -3.469 3.192 356 1HB ALA 97 HB1 ALA 97 9.842 -1.280 2.637 357 2HB ALA 97 HB2 ALA 97 8.821 -1.430 4.083 358 3HB ALA 97 HB3 ALA 97 10.075 -2.705 3.755 359 H VAL 98 HN VAL 98 5.895 -2.396 3.277 360 HA VAL 98 HA VAL 98 5.349 -0.531 1.079 361 HB VAL 98 HB VAL 98 3.922 -2.516 1.089 362 1HG1 VAL 98 HG11 VAL 98 4.219 -2.581 3.823 363 2HG1 VAL 98 HG12 VAL 98 2.596 -1.929 3.674 364 3HG1 VAL 98 HG13 VAL 98 3.063 -3.522 2.841 365 1HG2 VAL 98 HG23 VAL 98 2.911 -0.238 0.558 366 2HG2 VAL 98 HG21 VAL 98 1.758 -1.525 1.108 367 3HG2 VAL 98 HG22 VAL 98 2.262 -0.245 2.255 368 H PHE 99 HN PHE 99 4.170 1.399 1.551 369 HA PHE 99 HA PHE 99 4.328 2.270 4.370 370 1HB PHE 99 HB1 PHE 99 5.555 3.641 1.881 371 2HB PHE 99 HB2 PHE 99 5.281 4.457 3.418 372 HD1 PHE 99 HD1 PHE 99 7.032 1.678 1.654 373 HD2 PHE 99 HD2 PHE 99 6.900 4.000 5.243 374 HE1 PHE 99 HE1 PHE 99 9.376 1.189 2.103 375 HE2 PHE 99 HE2 PHE 99 9.114 3.276 5.791 376 HZ PHE 99 HZ PHE 99 10.455 2.567 3.823 377 H ARG 100 HN ARG 100 3.221 4.283 4.689 378 HA ARG 100 HA ARG 100 1.283 5.228 2.567 379 1HB ARG 100 HB1 ARG 100 -0.140 4.936 4.067 380 2HB ARG 100 HB2 ARG 100 1.090 5.096 5.383 381 1HG ARG 100 HG1 ARG 100 1.473 7.416 5.012 382 2HG ARG 100 HG2 ARG 100 0.033 7.454 3.919 383 1HD ARG 100 HD1 ARG 100 -1.026 6.251 6.153 384 2HD ARG 100 HD2 ARG 100 0.446 6.867 6.919 385 HE ARG 100 HE ARG 100 -1.828 8.445 5.515 386 1HH1 ARG 100 HH22 ARG 100 1.467 8.779 6.418 387 2HH1 ARG 100 HH21 ARG 100 1.332 10.451 6.867 388 1HH2 ARG 100 HH12 ARG 100 -2.147 10.582 6.229 389 2HH2 ARG 100 HH11 ARG 100 -0.734 11.515 6.698 390 H LEU 101 HN LEU 101 1.873 7.211 1.771 391 HA LEU 101 HA LEU 101 4.708 7.646 2.083 392 1HB LEU 101 HB1 LEU 101 2.437 8.939 0.399 393 2HB LEU 101 HB2 LEU 101 4.014 9.675 0.388 394 HG LEU 101 HG LEU 101 3.810 6.669 -0.182 395 1HD1 LEU 101 HD22 LEU 101 3.012 8.775 -2.223 396 2HD1 LEU 101 HD23 LEU 101 3.359 7.026 -2.546 397 3HD1 LEU 101 HD21 LEU 101 1.980 7.494 -1.487 398 1HD2 LEU 101 HD13 LEU 101 5.674 8.865 -1.210 399 2HD2 LEU 101 HD11 LEU 101 6.053 7.490 -0.078 400 3HD2 LEU 101 HD12 LEU 101 5.646 7.176 -1.804 401 H LEU 102 HN LEU 102 5.301 10.224 1.998 402 HA LEU 102 HA LEU 102 4.586 11.077 4.604 403 1HB LEU 102 HB1 LEU 102 6.084 13.091 3.734 404 2HB LEU 102 HB2 LEU 102 6.740 11.556 4.421 405 HG LEU 102 HG LEU 102 7.106 10.633 2.203 406 1HD1 LEU 102 HD21 LEU 102 5.184 11.838 1.028 407 2HD1 LEU 102 HD22 LEU 102 6.150 13.326 1.065 408 3HD1 LEU 102 HD23 LEU 102 6.773 11.883 0.146 409 1HD2 LEU 102 HD12 LEU 102 8.867 12.048 3.268 410 2HD2 LEU 102 HD13 LEU 102 8.928 11.982 1.466 411 3HD2 LEU 102 HD11 LEU 102 8.273 13.448 2.305 412 H HIS 103 HN HSP 103 2.332 11.662 4.557 413 HA HIS 103 HA HSP 103 1.725 13.949 2.808 414 1HB HIS 103 HB1 HSP 103 -0.002 12.186 4.580 415 2HB HIS 103 HB2 HSP 103 -0.583 13.710 3.821 416 HD1 HIS 103 HD1 HSP 103 -2.120 11.402 2.914 417 HD2 HIS 103 HD2 HSP 103 1.456 12.559 1.008 418 HE1 HIS 103 HE1 HSP 103 -2.271 10.689 0.495 419 HE2 HIS 103 HE2 HSP 103 -0.139 11.432 -0.643 420 H GLU 104 HN GLU 104 3.129 13.274 5.828 421 HA GLU 104 HA GLU 104 2.851 16.097 6.608 422 1HB GLU 104 HB1 GLU 104 2.077 15.843 8.743 423 2HB GLU 104 HB2 GLU 104 0.853 15.383 7.557 424 1HG GLU 104 HG1 GLU 104 2.647 13.363 9.079 425 2HG GLU 104 HG2 GLU 104 0.993 13.867 9.554 426 H HIS 105 HN HSP 105 5.007 14.268 5.594 427 HA HIS 105 HA HSP 105 6.760 14.680 7.872 428 1HB HIS 105 HB1 HSP 105 7.462 12.150 6.465 429 2HB HIS 105 HB2 HSP 105 7.606 12.569 8.172 430 HD1 HIS 105 HD1 HSP 105 5.032 12.578 9.381 431 HD2 HIS 105 HD2 HSP 105 5.665 10.189 5.999 432 HE1 HIS 105 HE1 HSP 105 3.353 10.676 9.476 433 HE2 HIS 105 HE2 HSP 105 3.720 9.312 7.387 434 H LYS 106 HN LYS 106 9.149 14.341 6.967 435 HA LYS 106 HA LYS 106 9.165 14.617 4.048 436 1HB LYS 106 HB1 LYS 106 10.265 16.466 6.185 437 2HB LYS 106 HB2 LYS 106 11.300 16.160 4.808 438 1HG LYS 106 HG1 LYS 106 8.370 17.162 4.624 439 2HG LYS 106 HG2 LYS 106 9.785 18.219 4.651 440 1HD LYS 106 HD1 LYS 106 9.116 16.124 2.484 441 2HD LYS 106 HD2 LYS 106 8.955 17.874 2.326 442 1HE LYS 106 HE1 LYS 106 11.632 16.388 2.764 443 2HE LYS 106 HE2 LYS 106 11.018 17.035 1.197 444 1HZ LYS 106 HZ1 LYS 106 10.979 19.225 2.154 445 2HZ LYS 106 HZ2 LYS 106 11.569 18.634 3.630 446 3HZ LYS 106 HZ3 LYS 106 12.534 18.544 2.234 447 H GLY 107 HN GLY 107 11.021 13.760 3.092 448 1HA GLY 107 HA2 GLY 107 13.023 12.761 3.051 449 2HA GLY 107 HA1 GLY 107 13.068 12.665 4.836 450 H LYS 108 HN LYS 108 10.754 11.217 5.511 451 HA LYS 108 HA LYS 108 11.670 8.624 4.468 452 1HB LYS 108 HB1 LYS 108 10.313 9.411 7.084 453 2HB LYS 108 HB2 LYS 108 10.852 7.748 6.608 454 1HG LYS 108 HG1 LYS 108 12.746 10.119 7.013 455 2HG LYS 108 HG2 LYS 108 12.385 8.841 8.194 456 1HD LYS 108 HD1 LYS 108 14.224 7.829 7.372 457 2HD LYS 108 HD2 LYS 108 13.065 7.169 6.203 458 1HE LYS 108 HE1 LYS 108 13.741 8.893 4.528 459 2HE LYS 108 HE2 LYS 108 14.784 9.715 5.766 460 1HZ LYS 108 HZ2 LYS 108 15.084 6.933 4.774 461 2HZ LYS 108 HZ3 LYS 108 16.013 8.272 4.303 462 3HZ LYS 108 HZ1 LYS 108 16.080 7.715 5.906 463 H LYS 109 HN LYS 109 9.535 7.292 5.671 464 HA LYS 109 HA LYS 109 7.082 8.028 4.124 465 1HB LYS 109 HB1 LYS 109 8.480 5.461 3.963 466 2HB LYS 109 HB2 LYS 109 7.116 5.685 3.405 467 1HG LYS 109 HG1 LYS 109 8.144 7.746 1.907 468 2HG LYS 109 HG2 LYS 109 9.676 7.251 2.614 469 1HD LYS 109 HD1 LYS 109 8.744 4.809 1.670 470 2HD LYS 109 HD2 LYS 109 7.956 5.867 0.584 471 1HE LYS 109 HE1 LYS 109 10.640 6.895 0.759 472 2HE LYS 109 HE2 LYS 109 10.909 5.212 1.259 473 1HZ LYS 109 HZ1 LYS 109 9.262 5.626 -1.137 474 2HZ LYS 109 HZ2 LYS 109 10.882 6.101 -1.291 475 3HZ LYS 109 HZ3 LYS 109 10.536 4.497 -0.886 476 H ALA 110 HN ALA 110 5.199 7.035 5.176 477 HA ALA 110 HA ALA 110 5.780 6.351 7.956 478 1HB ALA 110 HB3 ALA 110 3.052 6.719 6.776 479 2HB ALA 110 HB1 ALA 110 3.423 5.995 8.400 480 3HB ALA 110 HB2 ALA 110 3.891 7.675 8.090 481 H ARG 111 HN ARG 111 6.282 4.192 8.384 482 HA ARG 111 HA ARG 111 5.825 2.378 6.161 483 1HB ARG 111 HB1 ARG 111 8.063 2.803 7.328 484 2HB ARG 111 HB2 ARG 111 7.318 2.127 8.802 485 1HG ARG 111 HG1 ARG 111 7.097 0.427 6.328 486 2HG ARG 111 HG2 ARG 111 8.726 0.723 6.934 487 1HD ARG 111 HD1 ARG 111 7.688 0.164 9.319 488 2HD ARG 111 HD2 ARG 111 6.396 -0.564 8.440 489 HE ARG 111 HE ARG 111 9.376 -1.341 8.134 490 1HH1 ARG 111 HH22 ARG 111 6.091 -2.018 7.033 491 2HH1 ARG 111 HH21 ARG 111 6.666 -3.137 5.861 492 1HH2 ARG 111 HH12 ARG 111 9.839 -3.423 7.300 493 2HH2 ARG 111 HH11 ARG 111 8.772 -4.020 6.079 494 H LEU 112 HN LEU 112 4.753 0.528 6.404 495 HA LEU 112 HA LEU 112 2.814 0.528 8.660 496 1HB LEU 112 HB1 LEU 112 2.485 -0.327 5.736 497 2HB LEU 112 HB2 LEU 112 1.218 -0.412 6.987 498 HG LEU 112 HG LEU 112 2.587 2.141 6.097 499 1HD1 LEU 112 HD12 LEU 112 1.387 1.113 4.172 500 2HD1 LEU 112 HD13 LEU 112 -0.117 1.033 5.161 501 3HD1 LEU 112 HD11 LEU 112 0.598 2.639 4.731 502 1HD2 LEU 112 HD22 LEU 112 1.671 2.347 8.314 503 2HD2 LEU 112 HD23 LEU 112 0.786 3.361 7.120 504 3HD2 LEU 112 HD21 LEU 112 0.045 1.822 7.705 505 H ASP 113 HN ASP 113 1.527 -1.683 8.253 506 HA ASP 113 HA ASP 113 3.581 -3.765 8.503 507 1HB ASP 113 HB1 ASP 113 1.871 -3.437 10.470 508 2HB ASP 113 HB2 ASP 113 0.670 -4.164 9.326 509 H TRP 114 HN TRP 114 3.146 -5.644 7.078 510 HA TRP 114 HA TRP 114 1.519 -5.265 5.147 511 1HB TRP 114 HB1 TRP 114 3.296 -7.528 6.279 512 2HB TRP 114 HB2 TRP 114 2.130 -8.128 5.093 513 HD1 TRP 114 HD1 TRP 114 5.572 -7.632 4.671 514 HE1 TRP 114 HE1 TRP 114 6.209 -6.429 2.465 515 HE3 TRP 114 HE3 TRP 114 1.099 -6.090 3.594 516 HZ2 TRP 114 HZ2 TRP 114 4.589 -5.374 0.189 517 HZ3 TRP 114 HZ3 TRP 114 0.538 -4.927 1.440 518 HH2 TRP 114 HH2 TRP 114 2.153 -4.819 -0.285 519 H ASN 115 HN ASN 115 0.661 -6.414 8.197 520 HA ASN 115 HA ASN 115 -1.847 -7.482 7.094 521 1HB ASN 115 HB1 ASN 115 -0.333 -8.031 9.426 522 2HB ASN 115 HB2 ASN 115 -1.535 -6.946 10.058 523 1HD2 ASN 115 HD21 ASN 115 -4.332 -9.152 9.283 524 2HD2 ASN 115 HD22 ASN 115 -3.890 -7.474 9.347 525 H THR 116 HN THR 116 -0.807 -4.558 6.884 526 HA THR 116 HA THR 116 -2.087 -3.411 8.999 527 HB THR 116 HB THR 116 -0.028 -2.445 7.362 528 HG1 THR 116 HG1 THR 116 -0.894 -1.323 9.673 529 1HG2 THR 116 HG21 THR 116 -2.481 -0.585 8.106 530 2HG2 THR 116 HG22 THR 116 -0.816 0.055 8.156 531 3HG2 THR 116 HG23 THR 116 -1.414 -0.450 6.592 532 H ASP 117 HN ASP 117 -3.968 -2.209 9.128 533 HA ASP 117 HA ASP 117 -6.173 -2.732 7.369 534 1HB ASP 117 HB1 ASP 117 -6.284 -2.128 9.818 535 2HB ASP 117 HB2 ASP 117 -5.837 -0.457 9.352 536 H ALA 118 HN ALA 118 -5.262 -2.266 5.324 537 HA ALA 118 HA ALA 118 -4.443 0.165 4.216 538 1HB ALA 118 HB1 ALA 118 -6.442 -2.028 3.248 539 2HB ALA 118 HB2 ALA 118 -5.652 -0.813 2.159 540 3HB ALA 118 HB3 ALA 118 -4.686 -2.079 3.028 541 H ALA 119 HN ALA 119 -7.561 -0.676 5.624 542 HA ALA 119 HA ALA 119 -9.095 1.434 4.295 543 1HB ALA 119 HB1 ALA 119 -8.978 -0.815 6.440 544 2HB ALA 119 HB2 ALA 119 -10.377 0.361 6.549 545 3HB ALA 119 HB3 ALA 119 -10.132 -0.688 5.094 546 H SER 120 HN SER 120 -6.671 1.348 6.794 547 HA SER 120 HA SER 120 -7.862 3.740 8.060 548 1HB SER 120 HB1 SER 120 -5.401 2.102 8.801 549 2HB SER 120 HB2 SER 120 -5.969 3.577 9.650 550 HG SER 120 HG1 SER 120 -7.638 1.306 9.255 551 H LEU 121 HN LEU 121 -5.727 2.731 5.558 552 HA LEU 121 HA LEU 121 -4.216 5.288 5.630 553 1HB LEU 121 HB1 LEU 121 -3.986 2.879 3.729 554 2HB LEU 121 HB2 LEU 121 -2.932 4.207 3.748 555 HG LEU 121 HG LEU 121 -1.637 2.752 5.042 556 1HD1 LEU 121 HD21 LEU 121 -2.226 4.719 6.562 557 2HD1 LEU 121 HD22 LEU 121 -3.526 3.748 7.256 558 3HD1 LEU 121 HD23 LEU 121 -1.805 3.174 7.449 559 1HD2 LEU 121 HD11 LEU 121 -4.316 1.521 5.700 560 2HD2 LEU 121 HD12 LEU 121 -2.756 0.735 5.224 561 3HD2 LEU 121 HD13 LEU 121 -3.009 1.316 6.920 562 H ILE 122 HN ILE 122 -6.858 3.911 4.710 563 HA ILE 122 HA ILE 122 -7.423 4.519 2.225 564 HB ILE 122 HB ILE 122 -9.053 3.628 4.105 565 1HG1 ILE 122 HG11 ILE 122 -10.908 3.837 2.301 566 2HG1 ILE 122 HG12 ILE 122 -9.491 4.336 1.278 567 1HG2 ILE 122 HG23 ILE 122 -9.742 5.850 4.976 568 2HG2 ILE 122 HG21 ILE 122 -10.361 6.268 3.303 569 3HG2 ILE 122 HG22 ILE 122 -11.122 4.948 4.199 570 1HD1 ILE 122 HD1 ILE 122 -8.358 2.197 2.342 571 2HD1 ILE 122 HD2 ILE 122 -10.142 1.662 2.210 572 3HD1 ILE 122 HD3 ILE 122 -9.236 2.241 0.799 573 H GLY 123 HN GLY 123 -8.075 6.089 0.967 574 1HA GLY 123 HA2 GLY 123 -8.346 8.166 0.160 575 2HA GLY 123 HA1 GLY 123 -8.435 8.766 1.846 576 H GLU 124 HN GLU 124 -5.526 7.026 1.435 577 HA GLU 124 HA GLU 124 -4.088 9.597 1.165 578 1HB GLU 124 HB1 GLU 124 -3.091 7.010 2.396 579 2HB GLU 124 HB2 GLU 124 -2.342 8.620 2.476 580 1HG GLU 124 HG1 GLU 124 -5.183 8.235 3.586 581 2HG GLU 124 HG2 GLU 124 -3.868 7.486 4.440 582 H GLU 125 HN GLU 125 -1.576 8.314 0.885 583 HA GLU 125 HA GLU 125 -1.812 6.943 -1.719 584 1HB GLU 125 HB1 GLU 125 0.129 9.200 -1.126 585 2HB GLU 125 HB2 GLU 125 0.327 8.048 -2.445 586 1HG GLU 125 HG1 GLU 125 -1.141 8.736 -3.863 587 2HG GLU 125 HG2 GLU 125 -2.370 9.049 -2.624 588 H LEU 126 HN LEU 126 -0.883 5.016 -1.508 589 HA LEU 126 HA LEU 126 1.113 4.800 0.515 590 1HB LEU 126 HB1 LEU 126 -0.531 2.732 -1.032 591 2HB LEU 126 HB2 LEU 126 0.953 2.207 -0.273 592 HG LEU 126 HG LEU 126 -0.142 3.571 1.855 593 1HD1 LEU 126 HD21 LEU 126 -2.498 2.775 0.280 594 2HD1 LEU 126 HD22 LEU 126 -2.476 2.795 2.084 595 3HD1 LEU 126 HD23 LEU 126 -2.059 4.298 1.196 596 1HD2 LEU 126 HD12 LEU 126 0.847 1.266 1.898 597 2HD2 LEU 126 HD13 LEU 126 -0.724 1.355 2.785 598 3HD2 LEU 126 HD11 LEU 126 -0.663 0.618 1.138 599 H GLN 127 HN GLN 127 2.961 3.148 0.003 600 HA GLN 127 HA GLN 127 3.740 3.191 -2.783 601 1HB GLN 127 HB1 GLN 127 4.700 5.384 -1.639 602 2HB GLN 127 HB2 GLN 127 5.738 4.283 -0.738 603 1HG GLN 127 HG1 GLN 127 5.955 3.521 -3.550 604 2HG GLN 127 HG2 GLN 127 5.937 5.365 -3.491 605 1HE2 GLN 127 HE21 GLN 127 9.368 3.725 -2.438 606 2HE2 GLN 127 HE22 GLN 127 8.083 2.748 -3.064 607 H VAL 128 HN VAL 128 5.491 1.626 -3.138 608 HA VAL 128 HA VAL 128 5.987 -0.036 -0.742 609 HB VAL 128 HB VAL 128 5.313 -0.945 -3.549 610 1HG1 VAL 128 HG12 VAL 128 6.573 -2.560 -1.242 611 2HG1 VAL 128 HG13 VAL 128 5.883 -3.255 -2.762 612 3HG1 VAL 128 HG11 VAL 128 7.339 -2.213 -2.855 613 1HG2 VAL 128 HG21 VAL 128 3.417 -0.716 -1.910 614 2HG2 VAL 128 HG22 VAL 128 3.720 -2.405 -2.468 615 3HG2 VAL 128 HG23 VAL 128 4.259 -1.890 -0.815 616 H ASP 129 HN ASP 129 8.097 -0.751 -0.504 617 HA ASP 129 HA ASP 129 9.982 0.141 -2.567 618 1HB ASP 129 HB1 ASP 129 9.558 1.624 -0.165 619 2HB ASP 129 HB2 ASP 129 10.916 0.548 0.275 620 H PHE 130 HN PHE 130 12.343 -0.630 -1.454 621 HA PHE 130 HA PHE 130 11.823 -3.466 -0.996 622 1HB PHE 130 HB1 PHE 130 13.628 -2.671 -2.671 623 2HB PHE 130 HB2 PHE 130 14.573 -2.114 -1.233 624 HD1 PHE 130 HD1 PHE 130 12.825 -5.007 -2.929 625 HD2 PHE 130 HD2 PHE 130 15.815 -3.867 -0.079 626 HE1 PHE 130 HE1 PHE 130 13.467 -7.346 -2.642 627 HE2 PHE 130 HE2 PHE 130 16.500 -6.205 0.118 628 HZ PHE 130 HZ PHE 130 15.307 -7.957 -1.130 629 H LEU 131 HN LEU 131 12.871 -4.552 0.824 630 HA LEU 131 HA LEU 131 12.846 -2.811 3.182 631 1HB LEU 131 HB1 LEU 131 12.659 -4.952 4.427 632 2HB LEU 131 HB2 LEU 131 11.304 -4.534 3.366 633 HG LEU 131 HG LEU 131 11.831 -5.870 1.527 634 1HD1 LEU 131 HD23 LEU 131 14.020 -7.151 3.271 635 2HD1 LEU 131 HD21 LEU 131 13.400 -7.768 1.700 636 3HD1 LEU 131 HD22 LEU 131 14.273 -6.212 1.725 637 1HD2 LEU 131 HD12 LEU 131 10.233 -6.657 3.176 638 2HD2 LEU 131 HD13 LEU 131 11.186 -8.020 2.475 639 3HD2 LEU 131 HD11 LEU 131 11.558 -7.419 4.137 640 H ASP 132 HN ASP 132 14.365 -5.327 4.321 641 HA ASP 132 HA ASP 132 16.891 -3.985 4.282 642 1HB ASP 132 HB1 ASP 132 16.345 -6.825 5.303 643 2HB ASP 132 HB2 ASP 132 17.698 -5.704 5.781 No H/Q in entry = 643 Start of MODEL 13 1 1H SER 55 HT3 SER 55 -13.688 7.368 3.276 2 2H SER 55 HT2 SER 55 -12.024 7.514 3.443 3 3H SER 55 HT1 SER 55 -12.913 8.797 2.754 4 HA SER 55 HA SER 55 -13.432 7.540 0.858 5 1HB SER 55 HB1 SER 55 -11.033 8.616 1.172 6 2HB SER 55 HB2 SER 55 -10.468 6.926 1.394 7 HG SER 55 HG1 SER 55 -11.640 8.185 -0.846 8 H ASN 56 HN ASN 56 -12.308 5.517 -0.410 9 HA ASN 56 HA ASN 56 -12.090 3.209 1.355 10 1HB ASN 56 HB1 ASN 56 -14.542 3.417 0.710 11 2HB ASN 56 HB2 ASN 56 -14.024 3.135 -1.002 12 1HD2 ASN 56 HD21 ASN 56 -13.503 -0.391 -0.305 13 2HD2 ASN 56 HD22 ASN 56 -13.276 0.900 -1.433 14 H THR 57 HN THR 57 -10.458 5.075 -0.399 15 HA THR 57 HA THR 57 -9.478 3.026 -2.283 16 HB THR 57 HB THR 57 -9.181 4.704 -4.035 17 HG1 THR 57 HG1 THR 57 -10.439 6.402 -2.113 18 1HG2 THR 57 HG21 THR 57 -11.464 3.585 -3.948 19 2HG2 THR 57 HG22 THR 57 -12.069 4.988 -2.982 20 3HG2 THR 57 HG23 THR 57 -11.487 5.243 -4.669 21 H ILE 58 HN ILE 58 -7.237 2.987 -2.448 22 HA ILE 58 HA ILE 58 -5.835 5.292 -1.354 23 HB ILE 58 HB ILE 58 -4.464 2.719 -0.733 24 1HG1 ILE 58 HG11 ILE 58 -5.590 2.761 1.605 25 2HG1 ILE 58 HG12 ILE 58 -6.950 3.542 0.798 26 1HG2 ILE 58 HG23 ILE 58 -4.733 5.392 0.776 27 2HG2 ILE 58 HG21 ILE 58 -3.781 3.988 1.314 28 3HG2 ILE 58 HG22 ILE 58 -3.331 4.825 -0.227 29 1HD1 ILE 58 HD3 ILE 58 -5.650 0.817 0.047 30 2HD1 ILE 58 HD1 ILE 58 -7.202 1.039 0.944 31 3HD1 ILE 58 HD2 ILE 58 -7.089 1.531 -0.780 32 H ARG 59 HN ARG 59 -3.623 5.453 -2.332 33 HA ARG 59 HA ARG 59 -3.706 4.118 -4.949 34 1HB ARG 59 HB1 ARG 59 -2.431 6.692 -3.971 35 2HB ARG 59 HB2 ARG 59 -2.200 5.997 -5.597 36 1HG ARG 59 HG1 ARG 59 -4.213 6.629 -6.346 37 2HG ARG 59 HG2 ARG 59 -5.054 6.059 -5.012 38 1HD ARG 59 HD1 ARG 59 -4.119 8.160 -3.618 39 2HD ARG 59 HD2 ARG 59 -3.863 8.871 -5.256 40 HE ARG 59 HE ARG 59 -6.290 8.530 -5.726 41 1HH1 ARG 59 HH22 ARG 59 -5.500 7.469 -2.460 42 2HH1 ARG 59 HH21 ARG 59 -7.110 6.887 -2.200 43 1HH2 ARG 59 HH12 ARG 59 -8.437 8.486 -5.007 44 2HH2 ARG 59 HH11 ARG 59 -8.793 7.494 -3.629 45 H VAL 60 HN VAL 60 -2.120 2.819 -5.560 46 HA VAL 60 HA VAL 60 0.012 2.326 -3.543 47 HB VAL 60 HB VAL 60 -0.711 0.566 -5.924 48 1HG1 VAL 60 HG11 VAL 60 0.987 0.029 -3.417 49 2HG1 VAL 60 HG12 VAL 60 0.556 -1.174 -4.692 50 3HG1 VAL 60 HG13 VAL 60 1.595 0.229 -5.112 51 1HG2 VAL 60 HG23 VAL 60 -1.627 0.211 -3.027 52 2HG2 VAL 60 HG21 VAL 60 -2.663 0.574 -4.461 53 3HG2 VAL 60 HG22 VAL 60 -1.783 -0.995 -4.365 54 H PHE 61 HN PHE 61 2.127 2.750 -4.119 55 HA PHE 61 HA PHE 61 2.563 3.583 -6.929 56 1HB PHE 61 HB1 PHE 61 3.472 4.851 -4.328 57 2HB PHE 61 HB2 PHE 61 4.507 4.964 -5.841 58 HD1 PHE 61 HD2 PHE 61 1.017 5.501 -4.505 59 HD2 PHE 61 HD1 PHE 61 3.916 6.574 -7.461 60 HE1 PHE 61 HE2 PHE 61 -0.371 7.389 -5.186 61 HE2 PHE 61 HE1 PHE 61 2.504 8.459 -8.136 62 HZ PHE 61 HZ PHE 61 0.379 8.896 -6.971 63 H LEU 62 HN LEU 62 4.453 2.688 -7.919 64 HA LEU 62 HA LEU 62 5.263 0.333 -6.361 65 1HB LEU 62 HB1 LEU 62 5.585 1.161 -9.277 66 2HB LEU 62 HB2 LEU 62 6.434 -0.236 -8.610 67 HG LEU 62 HG LEU 62 3.812 -0.214 -9.682 68 1HD1 LEU 62 HD11 LEU 62 5.536 -2.281 -8.314 69 2HD1 LEU 62 HD12 LEU 62 3.867 -2.642 -8.841 70 3HD1 LEU 62 HD13 LEU 62 5.086 -2.072 -10.064 71 1HD2 LEU 62 HD23 LEU 62 2.801 0.597 -7.645 72 2HD2 LEU 62 HD21 LEU 62 2.352 -1.086 -7.991 73 3HD2 LEU 62 HD22 LEU 62 3.559 -0.797 -6.708 74 HA PRO 63 HA PRO 63 9.204 2.027 -5.855 75 1HB PRO 63 HB1 PRO 63 10.541 -0.520 -6.391 76 2HB PRO 63 HB2 PRO 63 10.497 0.404 -4.920 77 1HG PRO 63 HG1 PRO 63 9.068 -1.984 -5.543 78 2HG PRO 63 HG2 PRO 63 8.826 -1.020 -4.124 79 1HD PRO 63 HD1 PRO 63 6.937 -1.340 -6.189 80 2HD PRO 63 HD2 PRO 63 6.860 -0.176 -4.938 81 H ASN 64 HN ASN 64 8.097 0.373 -8.708 82 HA ASN 64 HA ASN 64 10.447 1.217 -10.205 83 1HB ASN 64 HB1 ASN 64 8.885 -0.996 -10.575 84 2HB ASN 64 HB2 ASN 64 7.936 0.161 -11.572 85 1HD2 ASN 64 HD21 ASN 64 10.661 0.575 -13.976 86 2HD2 ASN 64 HD22 ASN 64 9.365 1.442 -13.217 87 H LYS 65 HN LYS 65 8.419 3.006 -8.720 88 HA LYS 65 HA LYS 65 7.764 5.067 -9.042 89 1HB LYS 65 HB1 LYS 65 8.426 4.973 -12.011 90 2HB LYS 65 HB2 LYS 65 8.273 6.403 -10.960 91 1HG LYS 65 HG1 LYS 65 10.437 4.231 -10.659 92 2HG LYS 65 HG2 LYS 65 10.656 5.720 -11.577 93 1HD LYS 65 HD1 LYS 65 11.452 6.652 -9.665 94 2HD LYS 65 HD2 LYS 65 9.746 6.781 -9.163 95 1HE LYS 65 HE1 LYS 65 11.081 5.774 -7.359 96 2HE LYS 65 HE2 LYS 65 9.911 4.558 -7.992 97 1HZ LYS 65 HZ2 LYS 65 12.155 4.301 -9.539 98 2HZ LYS 65 HZ3 LYS 65 12.747 4.522 -7.960 99 3HZ LYS 65 HZ1 LYS 65 11.639 3.273 -8.292 100 H GLN 66 HN GLN 66 6.496 2.402 -10.498 101 HA GLN 66 HA GLN 66 4.390 3.657 -11.735 102 1HB GLN 66 HB1 GLN 66 5.152 0.821 -11.190 103 2HB GLN 66 HB2 GLN 66 3.409 1.031 -11.245 104 1HG GLN 66 HG1 GLN 66 5.342 2.076 -13.414 105 2HG GLN 66 HG2 GLN 66 4.810 0.397 -13.370 106 1HE2 GLN 66 HE21 GLN 66 1.508 1.152 -14.587 107 2HE2 GLN 66 HE22 GLN 66 2.758 0.009 -14.442 108 H ARG 67 HN ARG 67 1.985 2.515 -11.140 109 HA ARG 67 HA ARG 67 1.519 2.579 -8.385 110 1HB ARG 67 HB1 ARG 67 0.053 4.702 -8.486 111 2HB ARG 67 HB2 ARG 67 1.795 5.012 -8.526 112 1HG ARG 67 HG1 ARG 67 0.377 4.644 -11.194 113 2HG ARG 67 HG2 ARG 67 -0.106 6.035 -10.261 114 1HD ARG 67 HD1 ARG 67 1.721 7.216 -10.853 115 2HD ARG 67 HD2 ARG 67 2.800 5.965 -10.140 116 HE ARG 67 HE ARG 67 2.399 4.647 -12.378 117 1HH1 ARG 67 HH22 ARG 67 3.562 7.800 -11.634 118 2HH1 ARG 67 HH21 ARG 67 4.514 7.893 -13.071 119 1HH2 ARG 67 HH12 ARG 67 3.397 4.814 -14.359 120 2HH2 ARG 67 HH11 ARG 67 4.412 6.193 -14.642 121 H THR 68 HN THR 68 -0.944 2.751 -7.993 122 HA THR 68 HA THR 68 -2.680 2.563 -10.179 123 HB THR 68 HB THR 68 -1.796 0.241 -10.498 124 HG1 THR 68 HG1 THR 68 -4.293 -0.118 -9.392 125 1HG2 THR 68 HG23 THR 68 -1.155 -0.226 -8.087 126 2HG2 THR 68 HG21 THR 68 -2.912 -0.316 -7.678 127 3HG2 THR 68 HG22 THR 68 -2.205 -1.507 -8.827 128 H VAL 69 HN VAL 69 -4.981 2.196 -9.318 129 HA VAL 69 HA VAL 69 -5.007 3.136 -6.518 130 HB VAL 69 HB VAL 69 -6.199 4.689 -7.767 131 1HG1 VAL 69 HG13 VAL 69 -7.715 2.368 -9.107 132 2HG1 VAL 69 HG11 VAL 69 -8.083 4.123 -9.292 133 3HG1 VAL 69 HG12 VAL 69 -6.521 3.477 -9.902 134 1HG2 VAL 69 HG23 VAL 69 -7.205 4.052 -5.649 135 2HG2 VAL 69 HG21 VAL 69 -8.345 4.724 -6.869 136 3HG2 VAL 69 HG22 VAL 69 -8.337 2.956 -6.550 137 H VAL 70 HN VAL 70 -6.173 2.003 -4.977 138 HA VAL 70 HA VAL 70 -7.326 -0.573 -5.870 139 HB VAL 70 HB VAL 70 -6.379 -1.634 -3.841 140 1HG1 VAL 70 HG13 VAL 70 -5.212 -1.949 -6.000 141 2HG1 VAL 70 HG11 VAL 70 -4.229 -0.474 -5.688 142 3HG1 VAL 70 HG12 VAL 70 -4.073 -1.915 -4.597 143 1HG2 VAL 70 HG22 VAL 70 -4.699 0.920 -3.565 144 2HG2 VAL 70 HG23 VAL 70 -5.985 0.345 -2.422 145 3HG2 VAL 70 HG21 VAL 70 -4.474 -0.611 -2.654 146 H ASN 71 HN ASN 71 -8.756 -1.493 -4.155 147 HA ASN 71 HA ASN 71 -9.981 0.671 -2.551 148 1HB ASN 71 HB1 ASN 71 -11.363 -1.567 -4.148 149 2HB ASN 71 HB2 ASN 71 -12.159 -0.687 -2.783 150 1HD2 ASN 71 HD21 ASN 71 -11.464 1.312 -6.349 151 2HD2 ASN 71 HD22 ASN 71 -10.592 -0.141 -5.996 152 H VAL 72 HN VAL 72 -10.912 -0.166 -0.520 153 HA VAL 72 HA VAL 72 -9.672 -2.759 0.200 154 HB VAL 72 HB VAL 72 -8.757 -0.608 1.334 155 1HG1 VAL 72 HG12 VAL 72 -11.142 0.272 1.840 156 2HG1 VAL 72 HG13 VAL 72 -11.201 -0.981 3.129 157 3HG1 VAL 72 HG11 VAL 72 -9.921 0.258 3.202 158 1HG2 VAL 72 HG22 VAL 72 -8.220 -2.911 2.095 159 2HG2 VAL 72 HG23 VAL 72 -8.457 -1.744 3.475 160 3HG2 VAL 72 HG21 VAL 72 -9.735 -2.884 3.131 161 H ARG 73 HN ARG 73 -10.929 -3.711 2.185 162 HA ARG 73 HA ARG 73 -13.600 -2.825 2.377 163 1HB ARG 73 HB1 ARG 73 -12.997 -5.209 0.689 164 2HB ARG 73 HB2 ARG 73 -14.004 -5.665 2.041 165 1HG ARG 73 HG1 ARG 73 -14.592 -3.528 -0.127 166 2HG ARG 73 HG2 ARG 73 -15.400 -5.084 0.080 167 1HD ARG 73 HD1 ARG 73 -17.004 -3.733 1.052 168 2HD ARG 73 HD2 ARG 73 -16.037 -4.138 2.526 169 HE ARG 73 HE ARG 73 -15.470 -1.644 0.850 170 1HH1 ARG 73 HH22 ARG 73 -17.130 -2.871 3.716 171 2HH1 ARG 73 HH21 ARG 73 -17.768 -1.330 4.037 172 1HH2 ARG 73 HH12 ARG 73 -15.333 0.317 2.149 173 2HH2 ARG 73 HH11 ARG 73 -16.684 0.518 3.201 174 H ASN 74 HN ASN 74 -14.761 -4.583 3.985 175 HA ASN 74 HA ASN 74 -12.975 -4.513 6.223 176 1HB ASN 74 HB1 ASN 74 -15.611 -6.026 6.241 177 2HB ASN 74 HB2 ASN 74 -14.805 -5.168 7.583 178 1HD2 ASN 74 HD21 ASN 74 -16.095 -1.925 6.593 179 2HD2 ASN 74 HD22 ASN 74 -14.890 -2.745 7.524 180 H GLY 75 HN GLY 75 -11.474 -6.057 6.617 181 1HA GLY 75 HA2 GLY 75 -11.155 -8.365 7.110 182 2HA GLY 75 HA1 GLY 75 -12.094 -8.764 5.624 183 H MET 76 HN MET 76 -10.711 -6.225 4.459 184 HA MET 76 HA MET 76 -8.680 -7.780 3.214 185 1HB MET 76 HB1 MET 76 -9.306 -4.797 2.881 186 2HB MET 76 HB2 MET 76 -8.101 -5.607 1.978 187 1HG MET 76 HG1 MET 76 -9.851 -7.410 1.237 188 2HG MET 76 HG2 MET 76 -11.047 -6.272 1.770 189 1HE MET 76 HE1 MET 76 -11.873 -6.319 -0.895 190 2HE MET 76 HE2 MET 76 -10.813 -5.945 -2.291 191 3HE MET 76 HE3 MET 76 -10.534 -7.434 -1.335 192 H SER 77 HN SER 77 -6.481 -6.965 2.891 193 HA SER 77 HA SER 77 -5.356 -5.618 5.315 194 1HB SER 77 HB1 SER 77 -3.906 -7.707 3.648 195 2HB SER 77 HB2 SER 77 -3.399 -7.056 5.079 196 HG SER 77 HG1 SER 77 -5.187 -9.145 4.593 197 H LEU 78 HN LEU 78 -3.286 -4.667 4.828 198 HA LEU 78 HA LEU 78 -2.708 -3.563 2.495 199 1HB LEU 78 HB1 LEU 78 -1.095 -4.645 4.772 200 2HB LEU 78 HB2 LEU 78 -0.162 -4.381 3.276 201 HG LEU 78 HG LEU 78 -0.094 -2.426 4.785 202 1HD1 LEU 78 HD22 LEU 78 -0.115 -2.463 2.074 203 2HD1 LEU 78 HD23 LEU 78 -1.651 -1.625 2.331 204 3HD1 LEU 78 HD21 LEU 78 -0.308 -0.816 3.045 205 1HD2 LEU 78 HD11 LEU 78 -2.972 -2.114 3.865 206 2HD2 LEU 78 HD12 LEU 78 -2.321 -2.211 5.511 207 3HD2 LEU 78 HD13 LEU 78 -1.907 -0.777 4.488 208 H HIS 79 HN HSP 79 -1.179 -6.633 3.350 209 HA HIS 79 HA HSP 79 -0.257 -7.221 0.998 210 1HB HIS 79 HB1 HSP 79 -0.815 -8.871 3.382 211 2HB HIS 79 HB2 HSP 79 -1.162 -9.840 1.973 212 HD1 HIS 79 HD1 HSP 79 1.166 -8.593 0.141 213 HD2 HIS 79 HD2 HSP 79 1.686 -9.854 4.091 214 HE1 HIS 79 HE1 HSP 79 3.665 -8.810 0.621 215 HE2 HIS 79 HE2 HSP 79 3.884 -9.821 2.857 216 H ASP 80 HN ASP 80 -3.601 -8.213 2.030 217 HA ASP 80 HA ASP 80 -4.057 -9.541 -0.455 218 1HB ASP 80 HB1 ASP 80 -6.159 -8.408 1.478 219 2HB ASP 80 HB2 ASP 80 -6.372 -9.735 0.264 220 H CYS 81 HN CYS 81 -4.341 -6.284 0.810 221 HA CYS 81 HA CYS 81 -5.979 -5.271 -1.256 222 1HB CYS 81 HB1 CYS 81 -5.708 -4.199 0.954 223 2HB CYS 81 HB2 CYS 81 -4.092 -4.250 0.964 224 HG1 CYS 81 HG1 CYS 81 -4.965 -2.734 -1.761 225 H LEU 82 HN LEU 82 -2.570 -5.240 -0.678 226 HA LEU 82 HA LEU 82 -1.953 -3.943 -3.152 227 1HB LEU 82 HB1 LEU 82 -0.195 -5.376 -1.059 228 2HB LEU 82 HB2 LEU 82 0.480 -4.514 -2.373 229 HG LEU 82 HG LEU 82 -0.822 -3.650 0.158 230 1HD1 LEU 82 HD12 LEU 82 1.231 -2.465 -1.860 231 2HD1 LEU 82 HD13 LEU 82 0.463 -1.334 -0.718 232 3HD1 LEU 82 HD11 LEU 82 1.436 -2.678 -0.043 233 1HD2 LEU 82 HD22 LEU 82 -1.709 -2.220 -2.281 234 2HD2 LEU 82 HD23 LEU 82 -2.622 -2.939 -0.938 235 3HD2 LEU 82 HD21 LEU 82 -1.659 -1.469 -0.580 236 H MET 83 HN MET 83 -1.975 -7.182 -2.007 237 HA MET 83 HA MET 83 -0.489 -8.487 -4.025 238 1HB MET 83 HB1 MET 83 -1.529 -9.770 -2.168 239 2HB MET 83 HB2 MET 83 -3.087 -9.038 -2.449 240 1HG MET 83 HG1 MET 83 -3.737 -10.817 -3.430 241 2HG MET 83 HG2 MET 83 -2.980 -10.206 -4.855 242 1HE MET 83 HE1 MET 83 -0.406 -10.721 -5.520 243 2HE MET 83 HE2 MET 83 0.344 -10.509 -3.897 244 3HE MET 83 HE3 MET 83 0.618 -12.013 -4.818 245 H LYS 84 HN LYS 84 -3.946 -7.258 -4.023 246 HA LYS 84 HA LYS 84 -4.619 -7.804 -6.416 247 1HB LYS 84 HB1 LYS 84 -5.668 -6.357 -4.443 248 2HB LYS 84 HB2 LYS 84 -4.552 -5.042 -4.910 249 1HG LYS 84 HG1 LYS 84 -7.030 -4.998 -5.665 250 2HG LYS 84 HG2 LYS 84 -5.713 -4.476 -6.750 251 1HD LYS 84 HD1 LYS 84 -5.672 -6.504 -7.969 252 2HD LYS 84 HD2 LYS 84 -6.580 -7.351 -6.812 253 1HE LYS 84 HE1 LYS 84 -8.131 -6.837 -8.745 254 2HE LYS 84 HE2 LYS 84 -8.662 -5.790 -7.367 255 1HZ LYS 84 HZ2 LYS 84 -6.828 -5.000 -9.569 256 2HZ LYS 84 HZ3 LYS 84 -8.473 -4.590 -9.437 257 3HZ LYS 84 HZ1 LYS 84 -7.353 -4.011 -8.298 258 H ALA 85 HN ALA 85 -2.877 -4.886 -5.545 259 HA ALA 85 HA ALA 85 -2.695 -4.122 -8.167 260 1HB ALA 85 HB1 ALA 85 -2.589 -2.719 -5.851 261 2HB ALA 85 HB2 ALA 85 -0.915 -3.413 -5.602 262 3HB ALA 85 HB3 ALA 85 -1.187 -2.220 -6.901 263 H LEU 86 HN LEU 86 -0.782 -6.402 -6.787 264 HA LEU 86 HA LEU 86 1.536 -5.838 -8.623 265 1HB LEU 86 HB1 LEU 86 1.295 -7.476 -6.049 266 2HB LEU 86 HB2 LEU 86 2.733 -7.155 -6.828 267 HG LEU 86 HG LEU 86 0.897 -4.850 -5.856 268 1HD1 LEU 86 HD21 LEU 86 1.296 -6.426 -4.058 269 2HD1 LEU 86 HD22 LEU 86 3.022 -5.841 -4.073 270 3HD1 LEU 86 HD23 LEU 86 1.612 -4.690 -3.831 271 1HD2 LEU 86 HD12 LEU 86 2.575 -4.197 -7.488 272 2HD2 LEU 86 HD13 LEU 86 2.747 -3.395 -5.890 273 3HD2 LEU 86 HD11 LEU 86 3.881 -4.748 -6.366 274 H LYS 87 HN LYS 87 -0.418 -8.348 -7.014 275 HA LYS 87 HA LYS 87 0.169 -10.422 -8.606 276 1HB LYS 87 HB1 LYS 87 -1.921 -9.994 -6.886 277 2HB LYS 87 HB2 LYS 87 -2.826 -9.582 -8.356 278 1HG LYS 87 HG1 LYS 87 -1.146 -12.149 -8.035 279 2HG LYS 87 HG2 LYS 87 -2.507 -11.895 -6.949 280 1HD LYS 87 HD1 LYS 87 -4.061 -11.675 -8.970 281 2HD LYS 87 HD2 LYS 87 -2.668 -11.936 -10.042 282 1HE LYS 87 HE1 LYS 87 -2.345 -14.246 -9.079 283 2HE LYS 87 HE2 LYS 87 -3.778 -13.978 -8.003 284 1HZ LYS 87 HZ3 LYS 87 -3.768 -13.876 -10.969 285 2HZ LYS 87 HZ1 LYS 87 -4.343 -15.150 -10.005 286 3HZ LYS 87 HZ2 LYS 87 -5.112 -13.636 -9.961 287 H VAL 88 HN VAL 88 -2.138 -7.872 -9.405 288 HA VAL 88 HA VAL 88 -2.726 -8.687 -11.967 289 HB VAL 88 HB VAL 88 -3.898 -6.839 -10.706 290 1HG1 VAL 88 HG11 VAL 88 -1.727 -5.626 -10.066 291 2HG1 VAL 88 HG12 VAL 88 -1.746 -4.953 -11.756 292 3HG1 VAL 88 HG13 VAL 88 -3.105 -4.577 -10.745 293 1HG2 VAL 88 HG22 VAL 88 -4.278 -6.989 -13.205 294 2HG2 VAL 88 HG23 VAL 88 -4.313 -5.278 -12.559 295 3HG2 VAL 88 HG21 VAL 88 -2.875 -5.827 -13.430 296 H ARG 89 HN ARG 89 0.175 -7.069 -10.779 297 HA ARG 89 HA ARG 89 1.245 -6.434 -13.411 298 1HB ARG 89 HB1 ARG 89 2.537 -6.521 -10.667 299 2HB ARG 89 HB2 ARG 89 3.207 -5.824 -12.115 300 1HG ARG 89 HG1 ARG 89 0.818 -4.533 -12.029 301 2HG ARG 89 HG2 ARG 89 0.827 -4.966 -10.408 302 1HD ARG 89 HD1 ARG 89 2.380 -3.555 -9.646 303 2HD ARG 89 HD2 ARG 89 3.515 -3.954 -11.000 304 HE ARG 89 HE ARG 89 2.340 -2.392 -12.494 305 1HH1 ARG 89 HH22 ARG 89 0.547 -2.689 -9.537 306 2HH1 ARG 89 HH21 ARG 89 -0.234 -1.159 -9.725 307 1HH2 ARG 89 HH12 ARG 89 1.559 -0.183 -12.574 308 2HH2 ARG 89 HH11 ARG 89 0.263 0.215 -11.508 309 H GLY 90 HN GLY 90 1.773 -8.713 -10.777 310 1HA GLY 90 HA2 GLY 90 2.378 -10.990 -11.204 311 2HA GLY 90 HA1 GLY 90 3.350 -10.478 -12.621 312 H LEU 91 HN LEU 91 3.193 -8.701 -9.540 313 HA LEU 91 HA LEU 91 6.075 -9.208 -9.234 314 1HB LEU 91 HB1 LEU 91 4.216 -6.990 -8.206 315 2HB LEU 91 HB2 LEU 91 5.934 -7.139 -7.771 316 HG LEU 91 HG LEU 91 4.668 -6.331 -10.407 317 1HD1 LEU 91 HD22 LEU 91 5.470 -4.609 -8.808 318 2HD1 LEU 91 HD23 LEU 91 7.132 -5.301 -8.910 319 3HD1 LEU 91 HD21 LEU 91 6.357 -4.589 -10.383 320 1HD2 LEU 91 HD11 LEU 91 7.380 -7.702 -10.201 321 2HD2 LEU 91 HD12 LEU 91 5.965 -8.137 -11.229 322 3HD2 LEU 91 HD13 LEU 91 6.867 -6.612 -11.565 323 H GLN 92 HN GLN 92 6.752 -8.873 -6.822 324 HA GLN 92 HA GLN 92 5.000 -10.640 -5.210 325 1HB GLN 92 HB1 GLN 92 7.965 -10.092 -4.793 326 2HB GLN 92 HB2 GLN 92 6.947 -11.302 -3.966 327 1HG GLN 92 HG1 GLN 92 6.607 -12.441 -6.238 328 2HG GLN 92 HG2 GLN 92 7.763 -11.272 -6.947 329 1HE2 GLN 92 HE21 GLN 92 9.894 -14.203 -5.925 330 2HE2 GLN 92 HE22 GLN 92 8.769 -13.829 -7.162 331 HA PRO 93 HA PRO 93 5.154 -7.029 -2.687 332 1HB PRO 93 HB1 PRO 93 3.198 -7.696 -0.953 333 2HB PRO 93 HB2 PRO 93 2.848 -7.120 -2.549 334 1HG PRO 93 HG1 PRO 93 2.645 -9.913 -1.574 335 2HG PRO 93 HG2 PRO 93 1.695 -9.083 -2.792 336 1HD PRO 93 HD1 PRO 93 3.715 -10.886 -3.362 337 2HD PRO 93 HD2 PRO 93 3.227 -9.625 -4.464 338 H GLU 94 HN GLU 94 5.508 -10.426 -1.701 339 HA GLU 94 HA GLU 94 5.694 -9.869 1.057 340 1HB GLU 94 HB1 GLU 94 6.856 -12.278 -0.446 341 2HB GLU 94 HB2 GLU 94 6.625 -12.167 1.301 342 1HG GLU 94 HG1 GLU 94 4.735 -13.398 0.710 343 2HG GLU 94 HG2 GLU 94 4.069 -11.716 0.805 344 H CYS 95 HN CYS 95 7.915 -9.399 -1.563 345 HA CYS 95 HA CYS 95 10.223 -9.487 0.272 346 1HB CYS 95 HB1 CYS 95 9.950 -9.274 -2.764 347 2HB CYS 95 HB2 CYS 95 11.498 -9.134 -1.894 348 HG1 CYS 95 HG1 CYS 95 10.063 -11.645 -2.963 349 H CYS 96 HN CYS 96 7.908 -7.343 -0.139 350 HA CYS 96 HA CYS 96 9.779 -5.063 -0.397 351 1HB CYS 96 HB1 CYS 96 6.811 -5.300 -1.116 352 2HB CYS 96 HB2 CYS 96 7.771 -3.860 -1.272 353 HG1 CYS 96 HG1 CYS 96 9.665 -4.892 -2.829 354 H ALA 97 HN ALA 97 8.762 -3.049 0.550 355 HA ALA 97 HA ALA 97 7.260 -3.645 3.015 356 1HB ALA 97 HB3 ALA 97 9.430 -1.493 2.829 357 2HB ALA 97 HB1 ALA 97 8.195 -1.581 4.086 358 3HB ALA 97 HB2 ALA 97 9.350 -2.931 4.000 359 H VAL 98 HN VAL 98 5.387 -2.469 3.082 360 HA VAL 98 HA VAL 98 5.041 -0.443 0.994 361 HB VAL 98 HB VAL 98 3.363 -2.142 0.888 362 1HG1 VAL 98 HG13 VAL 98 3.587 -2.153 3.817 363 2HG1 VAL 98 HG11 VAL 98 1.925 -2.126 3.268 364 3HG1 VAL 98 HG12 VAL 98 3.056 -3.431 2.629 365 1HG2 VAL 98 HG23 VAL 98 2.584 0.270 0.723 366 2HG2 VAL 98 HG21 VAL 98 1.344 -0.950 1.143 367 3HG2 VAL 98 HG22 VAL 98 1.990 0.069 2.449 368 H PHE 99 HN PHE 99 3.957 1.549 1.567 369 HA PHE 99 HA PHE 99 4.295 2.353 4.386 370 1HB PHE 99 HB1 PHE 99 5.507 3.687 1.868 371 2HB PHE 99 HB2 PHE 99 5.294 4.534 3.393 372 HD1 PHE 99 HD1 PHE 99 6.966 1.744 1.602 373 HD2 PHE 99 HD2 PHE 99 6.858 3.974 5.247 374 HE1 PHE 99 HE1 PHE 99 9.232 1.029 2.154 375 HE2 PHE 99 HE2 PHE 99 8.987 3.077 5.865 376 HZ PHE 99 HZ PHE 99 10.349 2.278 3.945 377 H ARG 100 HN ARG 100 3.299 4.453 4.805 378 HA ARG 100 HA ARG 100 1.373 5.514 2.752 379 1HB ARG 100 HB1 ARG 100 0.018 5.252 4.363 380 2HB ARG 100 HB2 ARG 100 1.337 5.396 5.607 381 1HG ARG 100 HG1 ARG 100 1.635 7.673 5.329 382 2HG ARG 100 HG2 ARG 100 0.459 7.756 3.987 383 1HD ARG 100 HD1 ARG 100 -1.191 6.664 5.852 384 2HD ARG 100 HD2 ARG 100 0.050 7.163 6.983 385 HE ARG 100 HE ARG 100 -1.604 8.896 4.962 386 1HH1 ARG 100 HH22 ARG 100 0.560 8.960 7.748 387 2HH1 ARG 100 HH21 ARG 100 0.618 10.691 7.775 388 1HH2 ARG 100 HH12 ARG 100 -1.948 11.035 5.369 389 2HH2 ARG 100 HH11 ARG 100 -0.907 11.892 6.501 390 H LEU 101 HN LEU 101 2.047 7.395 1.914 391 HA LEU 101 HA LEU 101 4.873 7.692 2.090 392 1HB LEU 101 HB1 LEU 101 2.568 9.066 0.525 393 2HB LEU 101 HB2 LEU 101 4.142 9.787 0.417 394 HG LEU 101 HG LEU 101 3.837 6.775 -0.114 395 1HD1 LEU 101 HD23 LEU 101 3.028 8.912 -2.121 396 2HD1 LEU 101 HD21 LEU 101 3.320 7.159 -2.470 397 3HD1 LEU 101 HD22 LEU 101 1.994 7.644 -1.349 398 1HD2 LEU 101 HD11 LEU 101 5.729 8.903 -1.226 399 2HD2 LEU 101 HD12 LEU 101 6.113 7.512 -0.115 400 3HD2 LEU 101 HD13 LEU 101 5.616 7.217 -1.823 401 H LEU 102 HN LEU 102 5.581 10.274 1.819 402 HA LEU 102 HA LEU 102 5.579 11.184 4.518 403 1HB LEU 102 HB1 LEU 102 6.836 13.015 3.543 404 2HB LEU 102 HB2 LEU 102 7.506 11.433 3.966 405 HG LEU 102 HG LEU 102 8.253 12.347 1.790 406 1HD1 LEU 102 HD21 LEU 102 7.454 9.651 2.295 407 2HD1 LEU 102 HD22 LEU 102 7.351 10.062 0.507 408 3HD1 LEU 102 HD23 LEU 102 8.864 10.317 1.429 409 1HD2 LEU 102 HD11 LEU 102 5.367 12.096 0.908 410 2HD2 LEU 102 HD12 LEU 102 6.370 13.558 0.997 411 3HD2 LEU 102 HD13 LEU 102 6.798 12.274 -0.211 412 H HIS 103 HN HSP 103 3.111 11.570 4.735 413 HA HIS 103 HA HSP 103 2.313 14.030 3.349 414 1HB HIS 103 HB1 HSP 103 0.793 12.130 5.176 415 2HB HIS 103 HB2 HSP 103 0.113 13.631 4.453 416 HD1 HIS 103 HD1 HSP 103 1.628 10.298 3.374 417 HD2 HIS 103 HD2 HSP 103 -0.772 13.365 1.817 418 HE1 HIS 103 HE1 HSP 103 0.716 9.493 1.147 419 HE2 HIS 103 HE2 HSP 103 -0.593 11.428 0.162 420 H GLU 104 HN GLU 104 3.194 12.714 6.574 421 HA GLU 104 HA GLU 104 3.427 15.527 7.453 422 1HB GLU 104 HB1 GLU 104 2.644 13.292 9.372 423 2HB GLU 104 HB2 GLU 104 2.730 15.025 9.688 424 1HG GLU 104 HG1 GLU 104 0.415 14.698 9.513 425 2HG GLU 104 HG2 GLU 104 0.840 15.316 7.867 426 H HIS 105 HN HSP 105 5.296 13.598 6.144 427 HA HIS 105 HA HSP 105 7.144 13.252 8.420 428 1HB HIS 105 HB1 HSP 105 7.351 11.210 6.247 429 2HB HIS 105 HB2 HSP 105 7.701 11.078 7.938 430 HD1 HIS 105 HD1 HSP 105 5.191 11.486 9.421 431 HD2 HIS 105 HD2 HSP 105 4.993 9.843 5.576 432 HE1 HIS 105 HE1 HSP 105 2.881 10.522 9.140 433 HE2 HIS 105 HE2 HSP 105 2.760 9.656 6.773 434 H LYS 106 HN LYS 106 9.373 13.620 7.803 435 HA LYS 106 HA LYS 106 9.678 14.569 5.022 436 1HB LYS 106 HB1 LYS 106 9.679 16.403 6.711 437 2HB LYS 106 HB2 LYS 106 10.913 15.530 7.651 438 1HG LYS 106 HG1 LYS 106 12.129 17.142 6.479 439 2HG LYS 106 HG2 LYS 106 12.472 15.666 5.615 440 1HD LYS 106 HD1 LYS 106 12.057 17.386 3.938 441 2HD LYS 106 HD2 LYS 106 10.682 16.263 3.882 442 1HE LYS 106 HE1 LYS 106 9.287 17.868 5.209 443 2HE LYS 106 HE2 LYS 106 10.710 18.984 5.360 444 1HZ LYS 106 HZ2 LYS 106 10.756 19.140 2.969 445 2HZ LYS 106 HZ3 LYS 106 9.420 18.099 2.837 446 3HZ LYS 106 HZ1 LYS 106 9.246 19.612 3.587 447 H GLY 107 HN GLY 107 11.173 13.506 3.896 448 1HA GLY 107 HA2 GLY 107 13.248 12.691 3.572 449 2HA GLY 107 HA1 GLY 107 13.482 12.423 5.324 450 H LYS 108 HN LYS 108 10.963 10.935 5.799 451 HA LYS 108 HA LYS 108 11.888 8.421 4.562 452 1HB LYS 108 HB1 LYS 108 10.530 8.892 7.245 453 2HB LYS 108 HB2 LYS 108 11.227 7.344 6.605 454 1HG LYS 108 HG1 LYS 108 12.815 9.828 7.413 455 2HG LYS 108 HG2 LYS 108 12.694 8.275 8.272 456 1HD LYS 108 HD1 LYS 108 13.716 7.095 6.274 457 2HD LYS 108 HD2 LYS 108 13.953 8.680 5.498 458 1HE LYS 108 HE1 LYS 108 15.393 9.407 7.447 459 2HE LYS 108 HE2 LYS 108 15.197 7.758 8.165 460 1HZ LYS 108 HZ2 LYS 108 16.320 8.379 5.487 461 2HZ LYS 108 HZ3 LYS 108 17.206 7.971 6.877 462 3HZ LYS 108 HZ1 LYS 108 16.154 6.837 6.172 463 H LYS 109 HN LYS 109 9.763 7.013 5.699 464 HA LYS 109 HA LYS 109 7.294 7.937 4.269 465 1HB LYS 109 HB1 LYS 109 8.578 5.340 3.904 466 2HB LYS 109 HB2 LYS 109 7.225 5.613 3.451 467 1HG LYS 109 HG1 LYS 109 8.176 7.786 2.059 468 2HG LYS 109 HG2 LYS 109 9.728 7.252 2.613 469 1HD LYS 109 HD1 LYS 109 8.682 4.865 1.532 470 2HD LYS 109 HD2 LYS 109 7.901 6.041 0.553 471 1HE LYS 109 HE1 LYS 109 10.570 6.984 0.563 472 2HE LYS 109 HE2 LYS 109 10.868 5.295 1.092 473 1HZ LYS 109 HZ1 LYS 109 9.116 5.722 -1.230 474 2HZ LYS 109 HZ2 LYS 109 10.754 6.112 -1.449 475 3HZ LYS 109 HZ3 LYS 109 10.344 4.535 -0.992 476 H ALA 110 HN ALA 110 5.420 7.042 5.378 477 HA ALA 110 HA ALA 110 6.077 6.206 8.108 478 1HB ALA 110 HB3 ALA 110 3.323 6.825 7.062 479 2HB ALA 110 HB1 ALA 110 3.740 6.145 8.693 480 3HB ALA 110 HB2 ALA 110 4.311 7.783 8.247 481 H ARG 111 HN ARG 111 6.266 3.942 8.499 482 HA ARG 111 HA ARG 111 5.668 2.378 6.141 483 1HB ARG 111 HB1 ARG 111 7.944 2.596 7.428 484 2HB ARG 111 HB2 ARG 111 7.124 1.670 8.715 485 1HG ARG 111 HG1 ARG 111 7.105 0.597 5.865 486 2HG ARG 111 HG2 ARG 111 8.570 0.497 6.840 487 1HD ARG 111 HD1 ARG 111 6.738 -0.352 8.702 488 2HD ARG 111 HD2 ARG 111 5.888 -0.852 7.234 489 HE ARG 111 HE ARG 111 8.817 -1.653 7.434 490 1HH1 ARG 111 HH22 ARG 111 5.575 -2.560 8.356 491 2HH1 ARG 111 HH21 ARG 111 5.991 -4.241 8.507 492 1HH2 ARG 111 HH12 ARG 111 9.238 -3.888 7.137 493 2HH2 ARG 111 HH11 ARG 111 8.071 -4.999 7.817 494 H LEU 112 HN LEU 112 4.429 0.607 6.266 495 HA LEU 112 HA LEU 112 2.467 0.717 8.485 496 1HB LEU 112 HB1 LEU 112 2.160 -0.248 5.597 497 2HB LEU 112 HB2 LEU 112 0.851 -0.104 6.849 498 HG LEU 112 HG LEU 112 2.354 2.282 5.855 499 1HD1 LEU 112 HD13 LEU 112 -0.406 1.246 5.050 500 2HD1 LEU 112 HD11 LEU 112 0.315 2.857 4.628 501 3HD1 LEU 112 HD12 LEU 112 1.067 1.355 4.011 502 1HD2 LEU 112 HD23 LEU 112 -0.008 1.882 7.742 503 2HD2 LEU 112 HD21 LEU 112 1.546 2.712 8.059 504 3HD2 LEU 112 HD22 LEU 112 0.365 3.461 6.911 505 H ASP 113 HN ASP 113 1.247 -1.760 7.289 506 HA ASP 113 HA ASP 113 3.302 -3.664 7.906 507 1HB ASP 113 HB1 ASP 113 1.946 -3.247 10.066 508 2HB ASP 113 HB2 ASP 113 0.508 -3.894 9.167 509 H TRP 114 HN TRP 114 3.083 -5.484 6.595 510 HA TRP 114 HA TRP 114 1.511 -5.380 4.755 511 1HB TRP 114 HB1 TRP 114 3.201 -7.607 6.009 512 2HB TRP 114 HB2 TRP 114 1.994 -8.307 4.930 513 HD1 TRP 114 HD1 TRP 114 5.386 -8.016 4.353 514 HE1 TRP 114 HE1 TRP 114 6.115 -6.762 2.207 515 HE3 TRP 114 HE3 TRP 114 0.971 -6.162 3.214 516 HZ2 TRP 114 HZ2 TRP 114 4.629 -5.562 -0.048 517 HZ3 TRP 114 HZ3 TRP 114 0.547 -5.038 1.044 518 HH2 TRP 114 HH2 TRP 114 2.275 -4.988 -0.625 519 H ASN 115 HN ASN 115 0.417 -6.258 7.785 520 HA ASN 115 HA ASN 115 -2.062 -7.329 6.573 521 1HB ASN 115 HB1 ASN 115 -0.578 -8.037 8.891 522 2HB ASN 115 HB2 ASN 115 -1.793 -7.000 9.566 523 1HD2 ASN 115 HD21 ASN 115 -4.577 -9.130 8.503 524 2HD2 ASN 115 HD22 ASN 115 -4.133 -7.459 8.658 525 H THR 116 HN THR 116 -1.009 -4.374 6.530 526 HA THR 116 HA THR 116 -2.179 -3.350 8.715 527 HB THR 116 HB THR 116 -0.354 -2.211 6.942 528 HG1 THR 116 HG1 THR 116 -1.131 -1.215 9.353 529 1HG2 THR 116 HG23 THR 116 -2.633 -0.610 6.581 530 2HG2 THR 116 HG21 THR 116 -2.439 -0.301 8.334 531 3HG2 THR 116 HG22 THR 116 -1.138 0.184 7.165 532 H ASP 117 HN ASP 117 -4.181 -2.197 9.024 533 HA ASP 117 HA ASP 117 -6.322 -2.562 7.217 534 1HB ASP 117 HB1 ASP 117 -6.099 -0.414 9.358 535 2HB ASP 117 HB2 ASP 117 -7.567 -1.281 8.706 536 H ALA 118 HN ALA 118 -5.448 -1.845 5.224 537 HA ALA 118 HA ALA 118 -4.641 0.712 4.457 538 1HB ALA 118 HB2 ALA 118 -6.585 -1.367 3.203 539 2HB ALA 118 HB3 ALA 118 -5.844 0.009 2.288 540 3HB ALA 118 HB1 ALA 118 -4.809 -1.308 2.974 541 H ALA 119 HN ALA 119 -7.752 -0.336 5.708 542 HA ALA 119 HA ALA 119 -9.391 1.822 4.672 543 1HB ALA 119 HB1 ALA 119 -9.044 -0.351 6.908 544 2HB ALA 119 HB2 ALA 119 -10.546 0.711 6.897 545 3HB ALA 119 HB3 ALA 119 -10.177 -0.428 5.544 546 H SER 120 HN SER 120 -6.781 1.643 7.029 547 HA SER 120 HA SER 120 -7.848 4.009 8.423 548 1HB SER 120 HB1 SER 120 -5.272 2.438 8.898 549 2HB SER 120 HB2 SER 120 -5.927 3.775 9.916 550 HG SER 120 HG1 SER 120 -7.788 2.445 10.220 551 H LEU 121 HN LEU 121 -5.865 3.080 5.745 552 HA LEU 121 HA LEU 121 -4.391 5.668 5.818 553 1HB LEU 121 HB1 LEU 121 -3.922 3.253 3.991 554 2HB LEU 121 HB2 LEU 121 -2.924 4.654 4.119 555 HG LEU 121 HG LEU 121 -1.704 3.143 5.442 556 1HD1 LEU 121 HD22 LEU 121 -2.194 5.119 6.881 557 2HD1 LEU 121 HD23 LEU 121 -3.656 4.319 7.494 558 3HD1 LEU 121 HD21 LEU 121 -2.033 3.579 7.852 559 1HD2 LEU 121 HD11 LEU 121 -4.418 1.957 6.072 560 2HD2 LEU 121 HD12 LEU 121 -2.909 1.160 5.521 561 3HD2 LEU 121 HD13 LEU 121 -3.088 1.714 7.255 562 H ILE 122 HN ILE 122 -6.958 4.281 4.950 563 HA ILE 122 HA ILE 122 -7.421 4.706 2.414 564 HB ILE 122 HB ILE 122 -9.100 3.940 4.379 565 1HG1 ILE 122 HG11 ILE 122 -10.941 3.658 2.807 566 2HG1 ILE 122 HG12 ILE 122 -10.025 4.610 1.607 567 1HG2 ILE 122 HG21 ILE 122 -9.759 6.201 5.106 568 2HG2 ILE 122 HG22 ILE 122 -10.428 6.509 3.434 569 3HG2 ILE 122 HG23 ILE 122 -11.163 5.250 4.444 570 1HD1 ILE 122 HD2 ILE 122 -8.489 2.328 2.777 571 2HD1 ILE 122 HD3 ILE 122 -9.984 1.874 1.861 572 3HD1 ILE 122 HD1 ILE 122 -8.803 2.790 1.007 573 H GLY 123 HN GLY 123 -8.213 6.172 1.035 574 1HA GLY 123 HA2 GLY 123 -8.335 8.200 0.041 575 2HA GLY 123 HA1 GLY 123 -8.685 8.851 1.679 576 H GLU 124 HN GLU 124 -5.649 7.150 0.743 577 HA GLU 124 HA GLU 124 -4.236 9.747 0.965 578 1HB GLU 124 HB1 GLU 124 -3.313 7.112 2.166 579 2HB GLU 124 HB2 GLU 124 -2.537 8.699 2.296 580 1HG GLU 124 HG1 GLU 124 -5.405 8.190 3.351 581 2HG GLU 124 HG2 GLU 124 -4.006 7.649 4.261 582 H GLU 125 HN GLU 125 -1.722 8.600 0.737 583 HA GLU 125 HA GLU 125 -1.824 7.155 -1.840 584 1HB GLU 125 HB1 GLU 125 0.259 9.262 -1.096 585 2HB GLU 125 HB2 GLU 125 0.347 8.164 -2.485 586 1HG GLU 125 HG1 GLU 125 -0.863 9.286 -3.848 587 2HG GLU 125 HG2 GLU 125 -2.228 9.357 -2.726 588 H LEU 126 HN LEU 126 -0.682 5.339 -1.834 589 HA LEU 126 HA LEU 126 0.947 4.844 0.568 590 1HB LEU 126 HB1 LEU 126 -0.467 2.881 -1.341 591 2HB LEU 126 HB2 LEU 126 0.770 2.360 -0.188 592 HG LEU 126 HG LEU 126 -2.093 2.926 0.245 593 1HD1 LEU 126 HD21 LEU 126 -1.017 0.764 0.781 594 2HD1 LEU 126 HD22 LEU 126 0.038 1.583 2.001 595 3HD1 LEU 126 HD23 LEU 126 -1.753 1.527 2.245 596 1HD2 LEU 126 HD12 LEU 126 -1.373 5.036 1.270 597 2HD2 LEU 126 HD13 LEU 126 -1.933 3.875 2.500 598 3HD2 LEU 126 HD11 LEU 126 -0.177 4.099 2.333 599 H GLN 127 HN GLN 127 2.787 3.185 0.009 600 HA GLN 127 HA GLN 127 3.590 3.262 -2.752 601 1HB GLN 127 HB1 GLN 127 4.546 5.453 -1.598 602 2HB GLN 127 HB2 GLN 127 5.607 4.349 -0.731 603 1HG GLN 127 HG1 GLN 127 5.778 3.607 -3.546 604 2HG GLN 127 HG2 GLN 127 5.674 5.425 -3.519 605 1HE2 GLN 127 HE21 GLN 127 9.168 3.785 -2.388 606 2HE2 GLN 127 HE22 GLN 127 7.868 2.801 -2.968 607 H VAL 128 HN VAL 128 5.365 1.718 -3.119 608 HA VAL 128 HA VAL 128 5.815 -0.010 -0.757 609 HB VAL 128 HB VAL 128 5.243 -0.787 -3.631 610 1HG1 VAL 128 HG13 VAL 128 6.368 -2.530 -1.346 611 2HG1 VAL 128 HG11 VAL 128 5.748 -3.138 -2.929 612 3HG1 VAL 128 HG12 VAL 128 7.222 -2.120 -2.902 613 1HG2 VAL 128 HG23 VAL 128 3.281 -0.601 -2.076 614 2HG2 VAL 128 HG21 VAL 128 3.583 -2.268 -2.691 615 3HG2 VAL 128 HG22 VAL 128 4.056 -1.830 -0.994 616 H ASP 129 HN ASP 129 7.912 -0.753 -0.474 617 HA ASP 129 HA ASP 129 9.857 0.134 -2.471 618 1HB ASP 129 HB1 ASP 129 9.424 1.594 -0.057 619 2HB ASP 129 HB2 ASP 129 10.814 0.534 0.337 620 H PHE 130 HN PHE 130 12.163 -0.641 -0.910 621 HA PHE 130 HA PHE 130 11.907 -3.436 -1.278 622 1HB PHE 130 HB1 PHE 130 14.254 -3.499 -0.237 623 2HB PHE 130 HB2 PHE 130 14.078 -2.577 -1.763 624 HD1 PHE 130 HD2 PHE 130 14.468 -2.297 1.930 625 HD2 PHE 130 HD1 PHE 130 14.200 -0.130 -1.755 626 HE1 PHE 130 HE2 PHE 130 15.213 -0.262 3.063 627 HE2 PHE 130 HE1 PHE 130 14.935 1.895 -0.599 628 HZ PHE 130 HZ PHE 130 15.437 1.845 1.810 629 H LEU 131 HN LEU 131 12.473 -5.055 0.502 630 HA LEU 131 HA LEU 131 10.771 -4.585 2.678 631 1HB LEU 131 HB1 LEU 131 10.926 -6.776 3.290 632 2HB LEU 131 HB2 LEU 131 11.049 -6.834 1.537 633 HG LEU 131 HG LEU 131 13.727 -6.666 2.102 634 1HD1 LEU 131 HD23 LEU 131 12.960 -6.634 4.665 635 2HD1 LEU 131 HD21 LEU 131 12.800 -8.401 4.426 636 3HD1 LEU 131 HD22 LEU 131 14.403 -7.597 4.125 637 1HD2 LEU 131 HD12 LEU 131 12.732 -8.400 0.730 638 2HD2 LEU 131 HD13 LEU 131 13.902 -9.079 1.924 639 3HD2 LEU 131 HD11 LEU 131 12.123 -9.252 2.203 640 H ASP 132 HN ASP 132 11.423 -3.657 4.172 641 HA ASP 132 HA ASP 132 14.007 -2.994 4.986 642 1HB ASP 132 HB1 ASP 132 13.074 -1.490 6.709 643 2HB ASP 132 HB2 ASP 132 12.260 -1.285 5.108 No H/Q in entry = 643 Start of MODEL 14 1 1H SER 55 HT1 SER 55 -13.670 7.410 3.228 2 2H SER 55 HT3 SER 55 -12.005 7.490 3.431 3 3H SER 55 HT2 SER 55 -12.841 8.834 2.788 4 HA SER 55 HA SER 55 -13.366 7.685 0.824 5 1HB SER 55 HB1 SER 55 -10.935 8.662 1.240 6 2HB SER 55 HB2 SER 55 -10.435 6.942 1.364 7 HG SER 55 HG1 SER 55 -11.564 8.364 -0.805 8 H ASN 56 HN ASN 56 -12.258 5.688 -0.512 9 HA ASN 56 HA ASN 56 -12.137 3.288 1.156 10 1HB ASN 56 HB1 ASN 56 -14.550 3.510 0.500 11 2HB ASN 56 HB2 ASN 56 -14.006 3.375 -1.242 12 1HD2 ASN 56 HD21 ASN 56 -13.487 0.098 1.241 13 2HD2 ASN 56 HD22 ASN 56 -13.533 1.683 1.939 14 H THR 57 HN THR 57 -10.483 5.276 -0.533 15 HA THR 57 HA THR 57 -9.459 3.283 -2.471 16 HB THR 57 HB THR 57 -8.901 5.061 -4.024 17 HG1 THR 57 HG1 THR 57 -10.245 6.749 -2.155 18 1HG2 THR 57 HG22 THR 57 -11.837 5.391 -3.145 19 2HG2 THR 57 HG23 THR 57 -11.127 5.932 -4.707 20 3HG2 THR 57 HG21 THR 57 -11.190 4.174 -4.341 21 H ILE 58 HN ILE 58 -7.207 3.167 -2.594 22 HA ILE 58 HA ILE 58 -5.757 5.348 -1.391 23 HB ILE 58 HB ILE 58 -4.448 2.741 -0.749 24 1HG1 ILE 58 HG11 ILE 58 -5.649 2.744 1.551 25 2HG1 ILE 58 HG12 ILE 58 -6.987 3.524 0.708 26 1HG2 ILE 58 HG23 ILE 58 -4.697 5.392 0.789 27 2HG2 ILE 58 HG21 ILE 58 -3.784 3.954 1.324 28 3HG2 ILE 58 HG22 ILE 58 -3.294 4.807 -0.194 29 1HD1 ILE 58 HD2 ILE 58 -5.632 0.834 -0.061 30 2HD1 ILE 58 HD3 ILE 58 -7.202 1.014 0.808 31 3HD1 ILE 58 HD1 ILE 58 -7.058 1.556 -0.907 32 H ARG 59 HN ARG 59 -3.554 5.502 -2.389 33 HA ARG 59 HA ARG 59 -3.648 4.145 -4.982 34 1HB ARG 59 HB1 ARG 59 -2.320 6.666 -3.980 35 2HB ARG 59 HB2 ARG 59 -2.016 5.943 -5.583 36 1HG ARG 59 HG1 ARG 59 -3.942 6.651 -6.454 37 2HG ARG 59 HG2 ARG 59 -4.901 6.096 -5.173 38 1HD ARG 59 HD1 ARG 59 -3.223 8.655 -4.740 39 2HD ARG 59 HD2 ARG 59 -4.793 8.733 -5.624 40 HE ARG 59 HE ARG 59 -4.458 7.792 -2.741 41 1HH1 ARG 59 HH22 ARG 59 -6.559 7.803 -5.525 42 2HH1 ARG 59 HH21 ARG 59 -7.952 7.398 -4.573 43 1HH2 ARG 59 HH12 ARG 59 -6.349 7.783 -1.487 44 2HH2 ARG 59 HH11 ARG 59 -7.834 7.366 -2.292 45 H VAL 60 HN VAL 60 -2.000 2.855 -5.664 46 HA VAL 60 HA VAL 60 0.037 2.271 -3.568 47 HB VAL 60 HB VAL 60 -0.664 0.371 -5.806 48 1HG1 VAL 60 HG11 VAL 60 1.499 0.074 -4.596 49 2HG1 VAL 60 HG12 VAL 60 0.589 -0.122 -3.060 50 3HG1 VAL 60 HG13 VAL 60 0.352 -1.310 -4.413 51 1HG2 VAL 60 HG22 VAL 60 -1.997 0.416 -3.050 52 2HG2 VAL 60 HG23 VAL 60 -2.792 0.668 -4.655 53 3HG2 VAL 60 HG21 VAL 60 -2.067 -0.931 -4.255 54 H PHE 61 HN PHE 61 1.901 3.250 -4.091 55 HA PHE 61 HA PHE 61 2.511 3.686 -6.946 56 1HB PHE 61 HB1 PHE 61 3.503 4.888 -4.351 57 2HB PHE 61 HB2 PHE 61 4.517 4.952 -5.895 58 HD1 PHE 61 HD2 PHE 61 0.969 5.507 -4.669 59 HD2 PHE 61 HD1 PHE 61 4.140 6.813 -7.232 60 HE1 PHE 61 HE2 PHE 61 -0.321 7.490 -5.263 61 HE2 PHE 61 HE1 PHE 61 2.846 8.818 -7.775 62 HZ PHE 61 HZ PHE 61 0.638 9.188 -6.756 63 H LEU 62 HN LEU 62 4.395 2.715 -7.932 64 HA LEU 62 HA LEU 62 5.174 0.349 -6.364 65 1HB LEU 62 HB1 LEU 62 5.503 1.190 -9.256 66 2HB LEU 62 HB2 LEU 62 6.500 -0.110 -8.577 67 HG LEU 62 HG LEU 62 4.335 -0.813 -9.786 68 1HD1 LEU 62 HD11 LEU 62 5.790 -2.324 -8.429 69 2HD1 LEU 62 HD12 LEU 62 4.752 -1.954 -6.986 70 3HD1 LEU 62 HD13 LEU 62 4.039 -2.756 -8.429 71 1HD2 LEU 62 HD22 LEU 62 2.761 0.759 -8.692 72 2HD2 LEU 62 HD23 LEU 62 2.300 -0.969 -8.457 73 3HD2 LEU 62 HD21 LEU 62 3.057 -0.075 -7.101 74 HA PRO 63 HA PRO 63 8.984 2.124 -5.502 75 1HB PRO 63 HB1 PRO 63 10.406 -0.376 -6.200 76 2HB PRO 63 HB2 PRO 63 10.383 0.490 -4.688 77 1HG PRO 63 HG1 PRO 63 8.996 -1.884 -5.330 78 2HG PRO 63 HG2 PRO 63 8.666 -0.924 -3.948 79 1HD PRO 63 HD1 PRO 63 6.894 -1.285 -6.131 80 2HD PRO 63 HD2 PRO 63 6.696 -0.140 -4.873 81 H ASN 64 HN ASN 64 8.447 0.263 -8.509 82 HA ASN 64 HA ASN 64 10.655 1.645 -9.783 83 1HB ASN 64 HB1 ASN 64 9.824 0.490 -11.893 84 2HB ASN 64 HB2 ASN 64 10.594 -0.494 -10.612 85 1HD2 ASN 64 HD21 ASN 64 6.978 -1.667 -11.706 86 2HD2 ASN 64 HD22 ASN 64 8.146 -0.834 -12.672 87 H LYS 65 HN LYS 65 8.486 3.223 -8.585 88 HA LYS 65 HA LYS 65 7.923 5.257 -9.079 89 1HB LYS 65 HB1 LYS 65 8.371 4.817 -12.063 90 2HB LYS 65 HB2 LYS 65 8.251 6.367 -11.199 91 1HG LYS 65 HG1 LYS 65 10.489 4.303 -10.767 92 2HG LYS 65 HG2 LYS 65 10.608 5.722 -11.807 93 1HD LYS 65 HD1 LYS 65 11.421 6.839 -10.010 94 2HD LYS 65 HD2 LYS 65 9.747 6.909 -9.421 95 1HE LYS 65 HE1 LYS 65 10.124 4.810 -8.087 96 2HE LYS 65 HE2 LYS 65 11.810 4.702 -8.742 97 1HZ LYS 65 HZ3 LYS 65 10.671 6.939 -7.158 98 2HZ LYS 65 HZ1 LYS 65 11.720 5.733 -6.590 99 3HZ LYS 65 HZ2 LYS 65 12.256 6.840 -7.760 100 H GLN 66 HN GLN 66 6.485 2.615 -10.781 101 HA GLN 66 HA GLN 66 4.421 3.934 -11.692 102 1HB GLN 66 HB1 GLN 66 4.969 1.034 -11.115 103 2HB GLN 66 HB2 GLN 66 3.274 1.417 -11.405 104 1HG GLN 66 HG1 GLN 66 4.257 0.732 -13.479 105 2HG GLN 66 HG2 GLN 66 3.735 2.482 -13.560 106 1HE2 GLN 66 HE21 GLN 66 7.749 1.540 -13.663 107 2HE2 GLN 66 HE22 GLN 66 6.581 0.312 -13.349 108 H ARG 67 HN ARG 67 1.950 3.218 -11.216 109 HA ARG 67 HA ARG 67 1.394 3.395 -8.403 110 1HB ARG 67 HB1 ARG 67 0.133 5.569 -8.716 111 2HB ARG 67 HB2 ARG 67 1.895 5.692 -8.600 112 1HG ARG 67 HG1 ARG 67 0.893 5.363 -11.407 113 2HG ARG 67 HG2 ARG 67 0.308 6.812 -10.596 114 1HD ARG 67 HD1 ARG 67 2.582 7.607 -10.115 115 2HD ARG 67 HD2 ARG 67 3.292 6.042 -10.661 116 HE ARG 67 HE ARG 67 1.679 7.770 -12.571 117 1HH1 ARG 67 HH22 ARG 67 4.875 6.814 -11.465 118 2HH1 ARG 67 HH21 ARG 67 5.638 7.739 -12.705 119 1HH2 ARG 67 HH12 ARG 67 2.713 8.194 -14.579 120 2HH2 ARG 67 HH11 ARG 67 4.418 8.471 -14.514 121 H THR 68 HN THR 68 -0.995 3.623 -8.083 122 HA THR 68 HA THR 68 -2.762 3.430 -10.231 123 HB THR 68 HB THR 68 -1.851 1.112 -10.581 124 HG1 THR 68 HG1 THR 68 -4.336 0.737 -9.455 125 1HG2 THR 68 HG22 THR 68 -1.156 0.598 -8.210 126 2HG2 THR 68 HG23 THR 68 -2.897 0.561 -7.726 127 3HG2 THR 68 HG21 THR 68 -2.275 -0.653 -8.895 128 H VAL 69 HN VAL 69 -5.037 3.018 -9.336 129 HA VAL 69 HA VAL 69 -5.022 3.662 -6.444 130 HB VAL 69 HB VAL 69 -6.066 5.477 -7.436 131 1HG1 VAL 69 HG11 VAL 69 -7.722 3.529 -9.148 132 2HG1 VAL 69 HG12 VAL 69 -7.946 5.316 -9.060 133 3HG1 VAL 69 HG13 VAL 69 -6.423 4.646 -9.743 134 1HG2 VAL 69 HG21 VAL 69 -7.171 4.597 -5.463 135 2HG2 VAL 69 HG22 VAL 69 -8.238 5.530 -6.581 136 3HG2 VAL 69 HG23 VAL 69 -8.355 3.739 -6.541 137 H VAL 70 HN VAL 70 -6.245 2.385 -5.096 138 HA VAL 70 HA VAL 70 -7.674 0.135 -6.366 139 HB VAL 70 HB VAL 70 -6.748 -1.403 -4.680 140 1HG1 VAL 70 HG13 VAL 70 -5.649 -1.328 -6.897 141 2HG1 VAL 70 HG11 VAL 70 -4.526 -0.051 -6.295 142 3HG1 VAL 70 HG12 VAL 70 -4.489 -1.702 -5.560 143 1HG2 VAL 70 HG21 VAL 70 -4.853 0.872 -3.893 144 2HG2 VAL 70 HG22 VAL 70 -6.173 0.163 -2.873 145 3HG2 VAL 70 HG23 VAL 70 -4.764 -0.847 -3.347 146 H ASN 71 HN ASN 71 -9.150 -0.921 -4.811 147 HA ASN 71 HA ASN 71 -10.049 1.016 -2.763 148 1HB ASN 71 HB1 ASN 71 -11.544 -1.017 -4.513 149 2HB ASN 71 HB2 ASN 71 -12.177 -0.622 -2.879 150 1HD2 ASN 71 HD21 ASN 71 -13.777 2.270 -4.143 151 2HD2 ASN 71 HD22 ASN 71 -13.612 1.145 -2.859 152 H VAL 72 HN VAL 72 -10.533 0.093 -0.665 153 HA VAL 72 HA VAL 72 -9.251 -2.533 -0.300 154 HB VAL 72 HB VAL 72 -8.535 -0.668 1.228 155 1HG1 VAL 72 HG11 VAL 72 -10.897 0.284 1.537 156 2HG1 VAL 72 HG12 VAL 72 -11.204 -1.114 2.638 157 3HG1 VAL 72 HG13 VAL 72 -9.885 0.015 3.044 158 1HG2 VAL 72 HG23 VAL 72 -9.747 -3.200 2.456 159 2HG2 VAL 72 HG21 VAL 72 -8.035 -2.933 1.869 160 3HG2 VAL 72 HG22 VAL 72 -8.658 -2.055 3.301 161 H ARG 73 HN ARG 73 -10.612 -4.233 -0.553 162 HA ARG 73 HA ARG 73 -13.458 -3.721 -0.334 163 1HB ARG 73 HB1 ARG 73 -11.804 -5.630 -1.756 164 2HB ARG 73 HB2 ARG 73 -12.857 -6.545 -0.684 165 1HG ARG 73 HG1 ARG 73 -13.786 -4.345 -2.671 166 2HG ARG 73 HG2 ARG 73 -13.752 -6.082 -3.046 167 1HD ARG 73 HD1 ARG 73 -15.425 -6.565 -1.273 168 2HD ARG 73 HD2 ARG 73 -15.437 -4.803 -0.797 169 HE ARG 73 HE ARG 73 -16.130 -5.653 -3.617 170 1HH1 ARG 73 HH22 ARG 73 -17.430 -5.496 -0.449 171 2HH1 ARG 73 HH21 ARG 73 -19.028 -5.147 -1.020 172 1HH2 ARG 73 HH12 ARG 73 -18.109 -4.681 -4.374 173 2HH2 ARG 73 HH11 ARG 73 -19.427 -4.802 -3.265 174 H ASN 74 HN ASN 74 -14.593 -5.866 0.770 175 HA ASN 74 HA ASN 74 -13.916 -5.443 3.507 176 1HB ASN 74 HB1 ASN 74 -15.712 -7.376 3.821 177 2HB ASN 74 HB2 ASN 74 -16.148 -5.691 3.506 178 1HD2 ASN 74 HD21 ASN 74 -16.641 -8.578 0.538 179 2HD2 ASN 74 HD22 ASN 74 -15.565 -8.869 1.855 180 H GLY 75 HN GLY 75 -12.042 -6.293 4.145 181 1HA GLY 75 HA2 GLY 75 -11.170 -8.046 5.148 182 2HA GLY 75 HA1 GLY 75 -11.738 -9.245 3.904 183 H MET 76 HN MET 76 -10.448 -6.240 2.687 184 HA MET 76 HA MET 76 -8.067 -7.605 1.959 185 1HB MET 76 HB1 MET 76 -8.828 -4.728 1.334 186 2HB MET 76 HB2 MET 76 -7.463 -5.336 0.884 187 1HG MET 76 HG1 MET 76 -8.559 -7.396 -0.301 188 2HG MET 76 HG2 MET 76 -10.075 -6.763 0.072 189 1HE MET 76 HE2 MET 76 -10.228 -7.044 -2.755 190 2HE MET 76 HE3 MET 76 -9.319 -6.035 -3.925 191 3HE MET 76 HE1 MET 76 -8.470 -7.316 -3.002 192 H SER 77 HN SER 77 -5.981 -7.025 2.490 193 HA SER 77 HA SER 77 -5.674 -5.599 5.114 194 1HB SER 77 HB1 SER 77 -3.810 -7.551 3.840 195 2HB SER 77 HB2 SER 77 -3.812 -6.873 5.486 196 HG SER 77 HG1 SER 77 -5.069 -9.022 4.491 197 H LEU 78 HN LEU 78 -2.996 -4.980 4.837 198 HA LEU 78 HA LEU 78 -2.518 -3.679 2.521 199 1HB LEU 78 HB1 LEU 78 -0.938 -4.746 4.830 200 2HB LEU 78 HB2 LEU 78 0.027 -4.458 3.357 201 HG LEU 78 HG LEU 78 0.020 -2.506 4.874 202 1HD1 LEU 78 HD21 LEU 78 0.069 -2.545 2.159 203 2HD1 LEU 78 HD22 LEU 78 -1.487 -1.755 2.374 204 3HD1 LEU 78 HD23 LEU 78 -0.203 -0.911 3.160 205 1HD2 LEU 78 HD13 LEU 78 -2.836 -2.219 3.826 206 2HD2 LEU 78 HD11 LEU 78 -2.335 -2.384 5.513 207 3HD2 LEU 78 HD12 LEU 78 -1.837 -0.898 4.544 208 H HIS 79 HN HSP 79 -1.312 -6.828 3.475 209 HA HIS 79 HA HSP 79 -0.166 -7.402 1.090 210 1HB HIS 79 HB1 HSP 79 -0.747 -8.981 3.507 211 2HB HIS 79 HB2 HSP 79 -1.070 -9.980 2.100 212 HD1 HIS 79 HD1 HSP 79 1.245 -8.704 0.274 213 HD2 HIS 79 HD2 HSP 79 1.767 -9.990 4.218 214 HE1 HIS 79 HE1 HSP 79 3.736 -8.917 0.746 215 HE2 HIS 79 HE2 HSP 79 3.966 -9.927 2.987 216 H ASP 80 HN ASP 80 -3.436 -8.563 2.184 217 HA ASP 80 HA ASP 80 -3.888 -9.773 -0.317 218 1HB ASP 80 HB1 ASP 80 -6.127 -8.892 1.554 219 2HB ASP 80 HB2 ASP 80 -6.059 -10.322 0.433 220 H CYS 81 HN CYS 81 -4.112 -6.486 0.816 221 HA CYS 81 HA CYS 81 -6.006 -5.756 -1.245 222 1HB CYS 81 HB1 CYS 81 -5.562 -4.845 1.267 223 2HB CYS 81 HB2 CYS 81 -4.431 -3.872 0.561 224 HG1 CYS 81 HG1 CYS 81 -5.818 -3.050 -1.629 225 H LEU 82 HN LEU 82 -2.563 -5.786 -0.739 226 HA LEU 82 HA LEU 82 -2.077 -4.166 -3.134 227 1HB LEU 82 HB1 LEU 82 -0.326 -5.560 -1.005 228 2HB LEU 82 HB2 LEU 82 0.397 -4.820 -2.362 229 HG LEU 82 HG LEU 82 -0.546 -3.769 0.139 230 1HD1 LEU 82 HD12 LEU 82 0.572 -2.351 -2.420 231 2HD1 LEU 82 HD13 LEU 82 0.328 -1.448 -0.873 232 3HD1 LEU 82 HD11 LEU 82 1.537 -2.784 -0.953 233 1HD2 LEU 82 HD22 LEU 82 -2.190 -2.611 -2.058 234 2HD2 LEU 82 HD23 LEU 82 -2.645 -3.322 -0.469 235 3HD2 LEU 82 HD21 LEU 82 -1.807 -1.739 -0.482 236 H MET 83 HN MET 83 -1.633 -7.422 -1.884 237 HA MET 83 HA MET 83 -0.272 -8.628 -4.038 238 1HB MET 83 HB1 MET 83 -0.977 -9.797 -1.939 239 2HB MET 83 HB2 MET 83 -2.664 -9.422 -2.264 240 1HG MET 83 HG1 MET 83 -2.526 -11.612 -2.814 241 2HG MET 83 HG2 MET 83 -2.740 -10.732 -4.305 242 1HE MET 83 HE1 MET 83 -0.420 -12.845 -1.975 243 2HE MET 83 HE2 MET 83 1.204 -12.820 -2.729 244 3HE MET 83 HE3 MET 83 0.577 -11.348 -1.930 245 H LYS 84 HN LYS 84 -3.813 -7.707 -3.658 246 HA LYS 84 HA LYS 84 -4.700 -8.425 -5.923 247 1HB LYS 84 HB1 LYS 84 -5.662 -6.968 -3.923 248 2HB LYS 84 HB2 LYS 84 -4.651 -5.617 -4.479 249 1HG LYS 84 HG1 LYS 84 -7.201 -5.714 -5.014 250 2HG LYS 84 HG2 LYS 84 -6.043 -5.148 -6.245 251 1HD LYS 84 HD1 LYS 84 -6.024 -7.184 -7.430 252 2HD LYS 84 HD2 LYS 84 -6.697 -8.074 -6.151 253 1HE LYS 84 HE1 LYS 84 -8.983 -6.866 -6.468 254 2HE LYS 84 HE2 LYS 84 -8.241 -5.867 -7.784 255 1HZ LYS 84 HZ2 LYS 84 -7.809 -7.891 -8.994 256 2HZ LYS 84 HZ3 LYS 84 -8.521 -8.821 -7.767 257 3HZ LYS 84 HZ1 LYS 84 -9.463 -7.716 -8.650 258 H ALA 85 HN ALA 85 -3.079 -5.308 -5.404 259 HA ALA 85 HA ALA 85 -3.253 -4.781 -8.143 260 1HB ALA 85 HB2 ALA 85 -3.182 -3.222 -5.895 261 2HB ALA 85 HB3 ALA 85 -1.407 -3.570 -5.834 262 3HB ALA 85 HB1 ALA 85 -2.074 -2.571 -7.183 263 H LEU 86 HN LEU 86 -1.020 -6.721 -6.738 264 HA LEU 86 HA LEU 86 1.146 -6.028 -8.731 265 1HB LEU 86 HB1 LEU 86 1.301 -7.485 -6.068 266 2HB LEU 86 HB2 LEU 86 2.605 -6.960 -6.983 267 HG LEU 86 HG LEU 86 0.513 -4.904 -6.027 268 1HD1 LEU 86 HD21 LEU 86 1.141 -6.300 -4.155 269 2HD1 LEU 86 HD22 LEU 86 2.769 -5.501 -4.236 270 3HD1 LEU 86 HD23 LEU 86 1.215 -4.528 -4.044 271 1HD2 LEU 86 HD11 LEU 86 2.062 -4.144 -7.764 272 2HD2 LEU 86 HD12 LEU 86 2.154 -3.229 -6.224 273 3HD2 LEU 86 HD13 LEU 86 3.442 -4.457 -6.638 274 H LYS 87 HN LYS 87 -0.464 -8.611 -6.851 275 HA LYS 87 HA LYS 87 0.285 -10.739 -8.297 276 1HB LYS 87 HB1 LYS 87 -1.787 -10.407 -6.541 277 2HB LYS 87 HB2 LYS 87 -2.766 -10.160 -7.991 278 1HG LYS 87 HG1 LYS 87 -0.842 -12.541 -7.604 279 2HG LYS 87 HG2 LYS 87 -2.165 -12.350 -6.470 280 1HD LYS 87 HD1 LYS 87 -3.854 -12.450 -8.349 281 2HD LYS 87 HD2 LYS 87 -2.540 -12.532 -9.538 282 1HE LYS 87 HE1 LYS 87 -3.013 -14.658 -7.339 283 2HE LYS 87 HE2 LYS 87 -3.653 -14.766 -9.029 284 1HZ LYS 87 HZ2 LYS 87 -1.388 -14.588 -9.826 285 2HZ LYS 87 HZ3 LYS 87 -0.805 -14.570 -8.237 286 3HZ LYS 87 HZ1 LYS 87 -1.616 -15.944 -8.824 287 H VAL 88 HN VAL 88 -2.289 -8.498 -9.201 288 HA VAL 88 HA VAL 88 -2.882 -9.581 -11.658 289 HB VAL 88 HB VAL 88 -4.215 -7.796 -10.503 290 1HG1 VAL 88 HG12 VAL 88 -2.175 -6.342 -9.973 291 2HG1 VAL 88 HG13 VAL 88 -2.332 -5.726 -11.683 292 3HG1 VAL 88 HG11 VAL 88 -3.681 -5.477 -10.634 293 1HG2 VAL 88 HG21 VAL 88 -4.622 -8.112 -12.983 294 2HG2 VAL 88 HG22 VAL 88 -4.818 -6.377 -12.422 295 3HG2 VAL 88 HG23 VAL 88 -3.345 -6.824 -13.293 296 H ARG 89 HN ARG 89 -0.126 -7.569 -10.744 297 HA ARG 89 HA ARG 89 0.752 -7.186 -13.462 298 1HB ARG 89 HB1 ARG 89 2.264 -6.885 -10.801 299 2HB ARG 89 HB2 ARG 89 2.671 -6.129 -12.307 300 1HG ARG 89 HG1 ARG 89 0.153 -5.194 -12.067 301 2HG ARG 89 HG2 ARG 89 0.344 -5.569 -10.418 302 1HD ARG 89 HD1 ARG 89 2.441 -4.143 -10.279 303 2HD ARG 89 HD2 ARG 89 2.243 -3.752 -12.045 304 HE ARG 89 HE ARG 89 0.072 -3.131 -9.999 305 1HH1 ARG 89 HH22 ARG 89 2.842 -1.944 -11.734 306 2HH1 ARG 89 HH21 ARG 89 2.435 -0.282 -11.462 307 1HH2 ARG 89 HH12 ARG 89 -0.755 -0.962 -10.179 308 2HH2 ARG 89 HH11 ARG 89 0.398 0.276 -10.536 309 H GLY 90 HN GLY 90 1.602 -9.140 -10.639 310 1HA GLY 90 HA2 GLY 90 2.332 -11.385 -10.926 311 2HA GLY 90 HA1 GLY 90 3.222 -10.933 -12.414 312 H LEU 91 HN LEU 91 3.097 -8.902 -9.496 313 HA LEU 91 HA LEU 91 5.998 -9.272 -9.251 314 1HB LEU 91 HB1 LEU 91 4.066 -7.109 -8.260 315 2HB LEU 91 HB2 LEU 91 5.796 -7.155 -7.857 316 HG LEU 91 HG LEU 91 4.418 -6.549 -10.501 317 1HD1 LEU 91 HD21 LEU 91 5.135 -4.693 -9.027 318 2HD1 LEU 91 HD22 LEU 91 6.836 -5.288 -9.106 319 3HD1 LEU 91 HD23 LEU 91 6.011 -4.709 -10.608 320 1HD2 LEU 91 HD11 LEU 91 7.217 -7.740 -10.295 321 2HD2 LEU 91 HD12 LEU 91 5.810 -8.311 -11.264 322 3HD2 LEU 91 HD13 LEU 91 6.607 -6.752 -11.699 323 H GLN 92 HN GLN 92 6.803 -8.913 -6.922 324 HA GLN 92 HA GLN 92 5.209 -10.708 -5.186 325 1HB GLN 92 HB1 GLN 92 8.168 -10.049 -4.969 326 2HB GLN 92 HB2 GLN 92 7.250 -11.278 -4.056 327 1HG GLN 92 HG1 GLN 92 6.787 -12.469 -6.275 328 2HG GLN 92 HG2 GLN 92 7.845 -11.274 -7.089 329 1HE2 GLN 92 HE21 GLN 92 10.142 -14.119 -6.181 330 2HE2 GLN 92 HE22 GLN 92 8.920 -13.802 -7.337 331 HA PRO 93 HA PRO 93 5.346 -7.049 -2.727 332 1HB PRO 93 HB1 PRO 93 3.304 -7.618 -1.089 333 2HB PRO 93 HB2 PRO 93 3.026 -7.133 -2.747 334 1HG PRO 93 HG1 PRO 93 2.811 -9.874 -1.606 335 2HG PRO 93 HG2 PRO 93 1.859 -9.109 -2.859 336 1HD PRO 93 HD1 PRO 93 3.884 -10.914 -3.360 337 2HD PRO 93 HD2 PRO 93 3.416 -9.686 -4.503 338 H GLU 94 HN GLU 94 5.570 -10.451 -1.684 339 HA GLU 94 HA GLU 94 5.722 -9.840 1.075 340 1HB GLU 94 HB1 GLU 94 6.864 -12.319 -0.326 341 2HB GLU 94 HB2 GLU 94 6.527 -12.155 1.399 342 1HG GLU 94 HG1 GLU 94 4.625 -13.318 0.779 343 2HG GLU 94 HG2 GLU 94 4.010 -11.620 0.654 344 H CYS 95 HN CYS 95 7.962 -9.487 -1.534 345 HA CYS 95 HA CYS 95 10.271 -9.711 0.260 346 1HB CYS 95 HB1 CYS 95 9.965 -9.328 -2.750 347 2HB CYS 95 HB2 CYS 95 11.531 -9.263 -1.906 348 HG1 CYS 95 HG1 CYS 95 10.258 -11.675 -3.152 349 H CYS 96 HN CYS 96 8.018 -7.439 -0.049 350 HA CYS 96 HA CYS 96 10.007 -5.254 -0.135 351 1HB CYS 96 HB1 CYS 96 7.119 -5.479 -1.212 352 2HB CYS 96 HB2 CYS 96 7.907 -3.961 -1.067 353 HG1 CYS 96 HG1 CYS 96 10.034 -4.510 -2.538 354 H ALA 97 HN ALA 97 8.793 -3.174 0.682 355 HA ALA 97 HA ALA 97 7.245 -3.842 3.099 356 1HB ALA 97 HB3 ALA 97 9.438 -1.698 2.997 357 2HB ALA 97 HB1 ALA 97 8.215 -1.859 4.273 358 3HB ALA 97 HB2 ALA 97 9.396 -3.193 4.073 359 H VAL 98 HN VAL 98 5.392 -2.635 3.166 360 HA VAL 98 HA VAL 98 5.097 -0.594 1.094 361 HB VAL 98 HB VAL 98 3.431 -2.333 0.999 362 1HG1 VAL 98 HG12 VAL 98 3.708 -2.425 3.846 363 2HG1 VAL 98 HG13 VAL 98 2.060 -2.035 3.504 364 3HG1 VAL 98 HG11 VAL 98 2.829 -3.528 2.710 365 1HG2 VAL 98 HG22 VAL 98 2.713 0.136 0.769 366 2HG2 VAL 98 HG23 VAL 98 1.466 -1.117 1.001 367 3HG2 VAL 98 HG21 VAL 98 1.938 -0.110 2.409 368 H PHE 99 HN PHE 99 4.039 1.418 1.639 369 HA PHE 99 HA PHE 99 4.360 2.240 4.452 370 1HB PHE 99 HB1 PHE 99 5.836 3.333 1.982 371 2HB PHE 99 HB2 PHE 99 5.486 4.388 3.317 372 HD1 PHE 99 HD1 PHE 99 7.073 1.258 2.025 373 HD2 PHE 99 HD2 PHE 99 6.955 3.802 5.482 374 HE1 PHE 99 HE1 PHE 99 9.317 0.571 2.667 375 HE2 PHE 99 HE2 PHE 99 9.121 3.040 6.107 376 HZ PHE 99 HZ PHE 99 10.483 1.955 4.340 377 H ARG 100 HN ARG 100 3.545 4.498 4.737 378 HA ARG 100 HA ARG 100 1.564 5.430 2.664 379 1HB ARG 100 HB1 ARG 100 0.184 5.156 4.188 380 2HB ARG 100 HB2 ARG 100 1.436 5.224 5.480 381 1HG ARG 100 HG1 ARG 100 1.730 7.583 5.275 382 2HG ARG 100 HG2 ARG 100 0.494 7.667 3.982 383 1HD ARG 100 HD1 ARG 100 -1.011 6.425 5.871 384 2HD ARG 100 HD2 ARG 100 0.261 6.930 6.963 385 HE ARG 100 HE ARG 100 -1.570 8.648 5.089 386 1HH1 ARG 100 HH22 ARG 100 0.767 8.728 7.720 387 2HH1 ARG 100 HH21 ARG 100 0.681 10.458 7.870 388 1HH2 ARG 100 HH12 ARG 100 -2.036 10.756 5.637 389 2HH2 ARG 100 HH11 ARG 100 -0.980 11.618 6.743 390 H LEU 101 HN LEU 101 2.014 7.397 1.891 391 HA LEU 101 HA LEU 101 4.743 7.964 1.891 392 1HB LEU 101 HB1 LEU 101 2.306 9.532 0.728 393 2HB LEU 101 HB2 LEU 101 3.993 9.992 0.362 394 HG LEU 101 HG LEU 101 2.631 7.375 -0.427 395 1HD1 LEU 101 HD21 LEU 101 2.163 9.461 -1.798 396 2HD1 LEU 101 HD22 LEU 101 3.914 9.479 -2.221 397 3HD1 LEU 101 HD23 LEU 101 2.900 8.053 -2.672 398 1HD2 LEU 101 HD13 LEU 101 5.557 8.082 -0.279 399 2HD2 LEU 101 HD11 LEU 101 4.709 6.510 -0.042 400 3HD2 LEU 101 HD12 LEU 101 4.979 7.223 -1.720 401 H LEU 102 HN LEU 102 5.209 10.621 1.706 402 HA LEU 102 HA LEU 102 5.437 11.380 4.472 403 1HB LEU 102 HB1 LEU 102 6.591 13.253 3.483 404 2HB LEU 102 HB2 LEU 102 7.313 11.646 3.741 405 HG LEU 102 HG LEU 102 7.821 12.764 1.576 406 1HD1 LEU 102 HD23 LEU 102 7.119 9.996 1.910 407 2HD1 LEU 102 HD21 LEU 102 6.895 10.578 0.187 408 3HD1 LEU 102 HD22 LEU 102 8.459 10.779 1.039 409 1HD2 LEU 102 HD13 LEU 102 4.871 12.485 0.959 410 2HD2 LEU 102 HD11 LEU 102 5.841 13.969 1.063 411 3HD2 LEU 102 HD12 LEU 102 6.176 12.790 -0.274 412 H HIS 103 HN HSP 103 2.772 11.506 4.492 413 HA HIS 103 HA HSP 103 1.917 14.036 3.372 414 1HB HIS 103 HB1 HSP 103 0.510 11.939 5.062 415 2HB HIS 103 HB2 HSP 103 -0.254 13.494 4.565 416 HD1 HIS 103 HD1 HSP 103 -1.584 10.982 3.635 417 HD2 HIS 103 HD2 HSP 103 1.315 13.029 1.373 418 HE1 HIS 103 HE1 HSP 103 -2.032 10.499 1.201 419 HE2 HIS 103 HE2 HSP 103 -0.336 11.772 -0.143 420 H GLU 104 HN GLU 104 3.148 12.734 6.448 421 HA GLU 104 HA GLU 104 3.098 15.518 7.425 422 1HB GLU 104 HB1 GLU 104 2.660 13.149 9.297 423 2HB GLU 104 HB2 GLU 104 2.656 14.865 9.703 424 1HG GLU 104 HG1 GLU 104 0.367 14.428 9.687 425 2HG GLU 104 HG2 GLU 104 0.619 15.110 8.030 426 H HIS 105 HN HSP 105 5.069 13.784 5.955 427 HA HIS 105 HA HSP 105 7.126 13.791 8.044 428 1HB HIS 105 HB1 HSP 105 7.483 11.524 6.163 429 2HB HIS 105 HB2 HSP 105 7.790 11.622 7.876 430 HD1 HIS 105 HD1 HSP 105 5.318 11.798 9.331 431 HD2 HIS 105 HD2 HSP 105 5.229 9.953 5.575 432 HE1 HIS 105 HE1 HSP 105 3.139 10.538 9.168 433 HE2 HIS 105 HE2 HSP 105 3.063 9.566 6.838 434 H LYS 106 HN LYS 106 9.369 13.634 6.851 435 HA LYS 106 HA LYS 106 9.115 14.296 4.015 436 1HB LYS 106 HB1 LYS 106 10.361 15.906 6.278 437 2HB LYS 106 HB2 LYS 106 11.226 15.858 4.750 438 1HG LYS 106 HG1 LYS 106 8.275 16.727 5.081 439 2HG LYS 106 HG2 LYS 106 9.647 17.827 5.041 440 1HD LYS 106 HD1 LYS 106 9.949 17.699 2.764 441 2HD LYS 106 HD2 LYS 106 9.587 15.972 2.682 442 1HE LYS 106 HE1 LYS 106 7.407 18.116 3.148 443 2HE LYS 106 HE2 LYS 106 7.908 17.534 1.510 444 1HZ LYS 106 HZ1 LYS 106 7.024 15.723 3.683 445 2HZ LYS 106 HZ2 LYS 106 5.981 16.387 2.520 446 3HZ LYS 106 HZ3 LYS 106 7.254 15.368 2.039 447 H GLY 107 HN GLY 107 10.913 13.663 2.810 448 1HA GLY 107 HA2 GLY 107 12.880 12.682 2.423 449 2HA GLY 107 HA1 GLY 107 13.167 12.500 4.182 450 H LYS 108 HN LYS 108 10.909 11.001 5.001 451 HA LYS 108 HA LYS 108 11.611 8.452 3.682 452 1HB LYS 108 HB1 LYS 108 10.663 9.020 6.524 453 2HB LYS 108 HB2 LYS 108 11.241 7.437 5.841 454 1HG LYS 108 HG1 LYS 108 12.950 9.924 6.330 455 2HG LYS 108 HG2 LYS 108 12.954 8.393 7.236 456 1HD LYS 108 HD1 LYS 108 13.651 7.160 5.126 457 2HD LYS 108 HD2 LYS 108 13.785 8.732 4.295 458 1HE LYS 108 HE1 LYS 108 15.506 9.472 5.993 459 2HE LYS 108 HE2 LYS 108 15.401 7.840 6.767 460 1HZ LYS 108 HZ1 LYS 108 16.123 8.394 3.940 461 2HZ LYS 108 HZ2 LYS 108 17.199 7.999 5.193 462 3HZ LYS 108 HZ3 LYS 108 16.043 6.868 4.673 463 H LYS 109 HN LYS 109 9.624 7.131 5.239 464 HA LYS 109 HA LYS 109 7.025 8.157 4.340 465 1HB LYS 109 HB1 LYS 109 8.667 5.842 3.367 466 2HB LYS 109 HB2 LYS 109 7.441 5.307 3.756 467 1HG LYS 109 HG1 LYS 109 7.131 7.875 2.047 468 2HG LYS 109 HG2 LYS 109 8.656 7.190 1.710 469 1HD LYS 109 HD1 LYS 109 6.106 5.548 1.323 470 2HD LYS 109 HD2 LYS 109 6.928 6.387 0.061 471 1HE LYS 109 HE1 LYS 109 8.390 4.344 1.843 472 2HE LYS 109 HE2 LYS 109 7.509 3.862 0.327 473 1HZ LYS 109 HZ3 LYS 109 8.900 5.521 -0.827 474 2HZ LYS 109 HZ1 LYS 109 9.798 5.731 0.610 475 3HZ LYS 109 HZ2 LYS 109 9.774 4.215 -0.199 476 H ALA 110 HN ALA 110 5.334 6.735 5.286 477 HA ALA 110 HA ALA 110 6.173 6.174 8.078 478 1HB ALA 110 HB2 ALA 110 3.360 6.711 7.073 479 2HB ALA 110 HB3 ALA 110 3.807 6.099 8.724 480 3HB ALA 110 HB1 ALA 110 4.340 7.732 8.208 481 H ARG 111 HN ARG 111 6.277 3.911 8.642 482 HA ARG 111 HA ARG 111 5.778 2.251 6.326 483 1HB ARG 111 HB1 ARG 111 7.991 2.563 7.709 484 2HB ARG 111 HB2 ARG 111 7.115 1.647 8.982 485 1HG ARG 111 HG1 ARG 111 7.285 0.536 6.150 486 2HG ARG 111 HG2 ARG 111 8.688 0.464 7.223 487 1HD ARG 111 HD1 ARG 111 6.781 -0.396 8.977 488 2HD ARG 111 HD2 ARG 111 5.990 -0.885 7.485 489 HE ARG 111 HE ARG 111 8.901 -1.727 7.855 490 1HH1 ARG 111 HH22 ARG 111 5.637 -2.625 8.542 491 2HH1 ARG 111 HH21 ARG 111 6.028 -4.318 8.601 492 1HH2 ARG 111 HH12 ARG 111 9.244 -3.922 7.194 493 2HH2 ARG 111 HH11 ARG 111 8.120 -5.058 7.895 494 H LEU 112 HN LEU 112 4.534 0.499 6.452 495 HA LEU 112 HA LEU 112 2.499 0.648 8.602 496 1HB LEU 112 HB1 LEU 112 2.287 -0.328 5.708 497 2HB LEU 112 HB2 LEU 112 0.932 -0.179 6.915 498 HG LEU 112 HG LEU 112 2.477 2.202 5.966 499 1HD1 LEU 112 HD11 LEU 112 -0.220 1.132 5.021 500 2HD1 LEU 112 HD12 LEU 112 0.466 2.766 4.663 501 3HD1 LEU 112 HD13 LEU 112 1.301 1.297 4.059 502 1HD2 LEU 112 HD23 LEU 112 0.029 1.810 7.740 503 2HD2 LEU 112 HD21 LEU 112 1.571 2.628 8.134 504 3HD2 LEU 112 HD22 LEU 112 0.455 3.387 6.931 505 H ASP 113 HN ASP 113 1.319 -1.837 7.366 506 HA ASP 113 HA ASP 113 3.345 -3.733 8.060 507 1HB ASP 113 HB1 ASP 113 1.948 -3.290 10.188 508 2HB ASP 113 HB2 ASP 113 0.524 -3.936 9.266 509 H TRP 114 HN TRP 114 3.152 -5.578 6.765 510 HA TRP 114 HA TRP 114 1.600 -5.481 4.899 511 1HB TRP 114 HB1 TRP 114 3.321 -7.671 6.165 512 2HB TRP 114 HB2 TRP 114 2.111 -8.412 5.108 513 HD1 TRP 114 HD1 TRP 114 5.475 -8.116 4.453 514 HE1 TRP 114 HE1 TRP 114 6.146 -6.902 2.262 515 HE3 TRP 114 HE3 TRP 114 1.032 -6.326 3.401 516 HZ2 TRP 114 HZ2 TRP 114 4.589 -5.722 0.030 517 HZ3 TRP 114 HZ3 TRP 114 0.548 -5.199 1.239 518 HH2 TRP 114 HH2 TRP 114 2.190 -5.131 -0.467 519 H ASN 115 HN ASN 115 0.478 -6.314 7.917 520 HA ASN 115 HA ASN 115 -1.994 -7.396 6.700 521 1HB ASN 115 HB1 ASN 115 -0.547 -8.125 9.008 522 2HB ASN 115 HB2 ASN 115 -1.666 -7.009 9.697 523 1HD2 ASN 115 HD21 ASN 115 -4.632 -8.936 8.788 524 2HD2 ASN 115 HD22 ASN 115 -4.055 -7.297 8.883 525 H THR 116 HN THR 116 -0.913 -4.442 6.638 526 HA THR 116 HA THR 116 -2.106 -3.409 8.778 527 HB THR 116 HB THR 116 -0.291 -2.280 7.006 528 HG1 THR 116 HG1 THR 116 -0.864 -0.926 9.168 529 1HG2 THR 116 HG21 THR 116 -2.607 -0.724 6.576 530 2HG2 THR 116 HG22 THR 116 -2.399 -0.334 8.313 531 3HG2 THR 116 HG23 THR 116 -1.109 0.112 7.116 532 H ASP 117 HN ASP 117 -3.962 -1.949 8.975 533 HA ASP 117 HA ASP 117 -6.273 -2.614 7.280 534 1HB ASP 117 HB1 ASP 117 -6.369 -2.206 9.796 535 2HB ASP 117 HB2 ASP 117 -5.994 -0.487 9.449 536 H ALA 118 HN ALA 118 -5.441 -1.949 5.258 537 HA ALA 118 HA ALA 118 -4.555 0.593 4.463 538 1HB ALA 118 HB3 ALA 118 -6.539 -1.395 3.120 539 2HB ALA 118 HB1 ALA 118 -5.567 -0.131 2.269 540 3HB ALA 118 HB2 ALA 118 -4.756 -1.547 3.064 541 H ALA 119 HN ALA 119 -7.689 -0.418 5.673 542 HA ALA 119 HA ALA 119 -9.238 1.718 4.481 543 1HB ALA 119 HB1 ALA 119 -9.063 -0.591 6.556 544 2HB ALA 119 HB2 ALA 119 -10.448 0.583 6.790 545 3HB ALA 119 HB3 ALA 119 -10.287 -0.407 5.282 546 H SER 120 HN SER 120 -6.822 1.570 6.998 547 HA SER 120 HA SER 120 -7.992 3.961 8.274 548 1HB SER 120 HB1 SER 120 -7.079 2.157 9.752 549 2HB SER 120 HB2 SER 120 -5.457 2.437 9.013 550 HG SER 120 HG1 SER 120 -5.986 4.750 9.618 551 H LEU 121 HN LEU 121 -5.870 2.994 5.739 552 HA LEU 121 HA LEU 121 -4.381 5.568 5.869 553 1HB LEU 121 HB1 LEU 121 -3.906 3.176 4.012 554 2HB LEU 121 HB2 LEU 121 -2.904 4.566 4.164 555 HG LEU 121 HG LEU 121 -1.695 3.064 5.495 556 1HD1 LEU 121 HD22 LEU 121 -2.272 5.035 6.945 557 2HD1 LEU 121 HD23 LEU 121 -3.704 4.175 7.537 558 3HD1 LEU 121 HD21 LEU 121 -2.056 3.488 7.898 559 1HD2 LEU 121 HD13 LEU 121 -4.413 1.868 6.056 560 2HD2 LEU 121 HD11 LEU 121 -2.880 1.068 5.552 561 3HD2 LEU 121 HD12 LEU 121 -3.120 1.622 7.283 562 H ILE 122 HN ILE 122 -6.938 4.186 4.887 563 HA ILE 122 HA ILE 122 -7.380 4.714 2.364 564 HB ILE 122 HB ILE 122 -9.110 3.871 4.196 565 1HG1 ILE 122 HG11 ILE 122 -10.897 4.087 2.301 566 2HG1 ILE 122 HG12 ILE 122 -9.408 4.503 1.336 567 1HG2 ILE 122 HG21 ILE 122 -9.780 6.069 5.051 568 2HG2 ILE 122 HG22 ILE 122 -10.351 6.524 3.378 569 3HG2 ILE 122 HG23 ILE 122 -11.157 5.197 4.239 570 1HD1 ILE 122 HD1 ILE 122 -8.373 2.396 2.477 571 2HD1 ILE 122 HD2 ILE 122 -10.165 1.904 2.410 572 3HD1 ILE 122 HD3 ILE 122 -9.290 2.358 0.939 573 H GLY 123 HN GLY 123 -8.101 6.246 1.011 574 1HA GLY 123 HA2 GLY 123 -8.286 8.322 0.138 575 2HA GLY 123 HA1 GLY 123 -8.561 8.920 1.808 576 H GLU 124 HN GLU 124 -5.596 7.145 0.904 577 HA GLU 124 HA GLU 124 -4.115 9.710 1.064 578 1HB GLU 124 HB1 GLU 124 -3.225 7.060 2.241 579 2HB GLU 124 HB2 GLU 124 -2.440 8.639 2.388 580 1HG GLU 124 HG1 GLU 124 -5.315 8.130 3.431 581 2HG GLU 124 HG2 GLU 124 -3.921 7.569 4.338 582 H GLU 125 HN GLU 125 -1.627 8.454 0.820 583 HA GLU 125 HA GLU 125 -1.788 7.107 -1.804 584 1HB GLU 125 HB1 GLU 125 0.157 9.325 -1.034 585 2HB GLU 125 HB2 GLU 125 0.447 8.177 -2.363 586 1HG GLU 125 HG1 GLU 125 -0.955 9.062 -3.835 587 2HG GLU 125 HG2 GLU 125 -2.229 9.351 -2.638 588 H LEU 126 HN LEU 126 -0.723 5.246 -1.789 589 HA LEU 126 HA LEU 126 1.021 4.786 0.524 590 1HB LEU 126 HB1 LEU 126 -0.440 2.770 -1.293 591 2HB LEU 126 HB2 LEU 126 0.808 2.292 -0.139 592 HG LEU 126 HG LEU 126 -2.048 2.925 0.333 593 1HD1 LEU 126 HD22 LEU 126 -1.016 0.728 0.849 594 2HD1 LEU 126 HD23 LEU 126 0.082 1.524 2.047 595 3HD1 LEU 126 HD21 LEU 126 -1.706 1.517 2.321 596 1HD2 LEU 126 HD11 LEU 126 -0.016 4.043 2.346 597 2HD2 LEU 126 HD12 LEU 126 -1.242 5.006 1.347 598 3HD2 LEU 126 HD13 LEU 126 -1.771 3.855 2.598 599 H GLN 127 HN GLN 127 2.883 3.244 0.026 600 HA GLN 127 HA GLN 127 3.606 3.150 -2.773 601 1HB GLN 127 HB1 GLN 127 4.627 5.359 -1.861 602 2HB GLN 127 HB2 GLN 127 5.647 4.322 -0.830 603 1HG GLN 127 HG1 GLN 127 5.913 3.281 -3.513 604 2HG GLN 127 HG2 GLN 127 5.808 5.091 -3.716 605 1HE2 GLN 127 HE21 GLN 127 9.272 3.700 -2.283 606 2HE2 GLN 127 HE22 GLN 127 8.022 2.620 -2.816 607 H VAL 128 HN VAL 128 5.292 1.529 -3.102 608 HA VAL 128 HA VAL 128 5.728 -0.116 -0.676 609 HB VAL 128 HB VAL 128 5.256 -0.984 -3.531 610 1HG1 VAL 128 HG12 VAL 128 6.475 -2.610 -1.210 611 2HG1 VAL 128 HG13 VAL 128 5.870 -3.295 -2.768 612 3HG1 VAL 128 HG11 VAL 128 7.287 -2.201 -2.789 613 1HG2 VAL 128 HG21 VAL 128 3.275 -0.852 -2.005 614 2HG2 VAL 128 HG22 VAL 128 3.660 -2.514 -2.588 615 3HG2 VAL 128 HG23 VAL 128 4.089 -2.027 -0.890 616 H ASP 129 HN ASP 129 7.843 -0.774 -0.291 617 HA ASP 129 HA ASP 129 9.817 0.221 -2.220 618 1HB ASP 129 HB1 ASP 129 9.291 1.529 0.267 619 2HB ASP 129 HB2 ASP 129 10.661 0.432 0.660 620 H PHE 130 HN PHE 130 12.121 -0.622 -0.871 621 HA PHE 130 HA PHE 130 11.721 -3.442 -1.103 622 1HB PHE 130 HB1 PHE 130 13.881 -2.020 -1.752 623 2HB PHE 130 HB2 PHE 130 14.289 -2.168 -0.010 624 HD1 PHE 130 HD2 PHE 130 13.367 -4.013 -3.177 625 HD2 PHE 130 HD1 PHE 130 15.194 -4.337 0.685 626 HE1 PHE 130 HE2 PHE 130 14.027 -6.313 -3.673 627 HE2 PHE 130 HE1 PHE 130 15.865 -6.630 0.155 628 HZ PHE 130 HZ PHE 130 15.266 -7.635 -2.008 629 H LEU 131 HN LEU 131 12.596 -4.921 0.665 630 HA LEU 131 HA LEU 131 11.256 -4.595 2.950 631 1HB LEU 131 HB1 LEU 131 13.561 -6.364 2.167 632 2HB LEU 131 HB2 LEU 131 13.117 -6.255 3.923 633 HG LEU 131 HG LEU 131 10.986 -6.840 1.836 634 1HD1 LEU 131 HD21 LEU 131 12.937 -8.856 3.036 635 2HD1 LEU 131 HD22 LEU 131 11.337 -9.281 2.343 636 3HD1 LEU 131 HD23 LEU 131 12.619 -8.494 1.302 637 1HD2 LEU 131 HD13 LEU 131 10.292 -6.214 4.140 638 2HD2 LEU 131 HD11 LEU 131 9.799 -7.875 3.633 639 3HD2 LEU 131 HD12 LEU 131 11.190 -7.644 4.769 640 H ASP 132 HN ASP 132 11.518 -3.159 4.154 641 HA ASP 132 HA ASP 132 13.643 -1.569 4.710 642 1HB ASP 132 HB1 ASP 132 12.444 -0.474 6.592 643 2HB ASP 132 HB2 ASP 132 11.385 -0.711 5.145 No H/Q in entry = 643 Start of MODEL 15 1 1H SER 55 HT1 SER 55 -13.533 7.805 3.339 2 2H SER 55 HT3 SER 55 -11.864 7.763 3.509 3 3H SER 55 HT2 SER 55 -12.607 9.148 2.840 4 HA SER 55 HA SER 55 -13.272 7.968 0.930 5 1HB SER 55 HB1 SER 55 -10.776 8.819 1.255 6 2HB SER 55 HB2 SER 55 -10.370 7.079 1.411 7 HG SER 55 HG1 SER 55 -11.558 8.475 -0.758 8 H ASN 56 HN ASN 56 -12.299 5.861 -0.366 9 HA ASN 56 HA ASN 56 -12.226 3.546 1.383 10 1HB ASN 56 HB1 ASN 56 -14.681 3.885 0.844 11 2HB ASN 56 HB2 ASN 56 -14.238 3.583 -0.907 12 1HD2 ASN 56 HD21 ASN 56 -13.716 0.479 1.790 13 2HD2 ASN 56 HD22 ASN 56 -13.587 2.111 2.353 14 H THR 57 HN THR 57 -10.559 5.320 -0.457 15 HA THR 57 HA THR 57 -9.640 3.160 -2.231 16 HB THR 57 HB THR 57 -9.460 4.551 -4.158 17 HG1 THR 57 HG1 THR 57 -10.353 6.594 -2.385 18 1HG2 THR 57 HG21 THR 57 -11.869 3.728 -3.666 19 2HG2 THR 57 HG22 THR 57 -12.199 5.358 -2.971 20 3HG2 THR 57 HG23 THR 57 -11.745 5.199 -4.712 21 H ILE 58 HN ILE 58 -7.385 3.204 -2.538 22 HA ILE 58 HA ILE 58 -6.013 5.560 -1.598 23 HB ILE 58 HB ILE 58 -4.617 3.057 -0.712 24 1HG1 ILE 58 HG11 ILE 58 -5.831 3.186 1.566 25 2HG1 ILE 58 HG12 ILE 58 -7.194 3.850 0.659 26 1HG2 ILE 58 HG21 ILE 58 -4.925 5.859 0.457 27 2HG2 ILE 58 HG22 ILE 58 -4.087 4.507 1.299 28 3HG2 ILE 58 HG23 ILE 58 -3.483 5.097 -0.293 29 1HD1 ILE 58 HD1 ILE 58 -5.718 1.181 0.053 30 2HD1 ILE 58 HD2 ILE 58 -7.257 1.324 0.978 31 3HD1 ILE 58 HD3 ILE 58 -7.221 1.762 -0.770 32 H ARG 59 HN ARG 59 -3.530 5.344 -2.352 33 HA ARG 59 HA ARG 59 -3.699 3.892 -4.915 34 1HB ARG 59 HB1 ARG 59 -2.101 6.348 -4.094 35 2HB ARG 59 HB2 ARG 59 -2.068 5.548 -5.688 36 1HG ARG 59 HG1 ARG 59 -3.577 7.083 -6.234 37 2HG ARG 59 HG2 ARG 59 -4.727 5.935 -5.615 38 1HD ARG 59 HD1 ARG 59 -3.883 7.508 -3.329 39 2HD ARG 59 HD2 ARG 59 -4.080 8.683 -4.691 40 HE ARG 59 HE ARG 59 -6.393 7.533 -5.041 41 1HH1 ARG 59 HH22 ARG 59 -4.972 8.625 -2.004 42 2HH1 ARG 59 HH21 ARG 59 -6.369 9.522 -1.657 43 1HH2 ARG 59 HH12 ARG 59 -8.362 7.517 -3.647 44 2HH2 ARG 59 HH11 ARG 59 -8.355 8.846 -2.589 45 H VAL 60 HN VAL 60 -1.623 3.123 -5.696 46 HA VAL 60 HA VAL 60 0.262 2.538 -3.497 47 HB VAL 60 HB VAL 60 -0.423 0.373 -5.492 48 1HG1 VAL 60 HG11 VAL 60 1.749 0.257 -4.253 49 2HG1 VAL 60 HG12 VAL 60 0.835 0.221 -2.704 50 3HG1 VAL 60 HG13 VAL 60 0.627 -1.118 -3.904 51 1HG2 VAL 60 HG21 VAL 60 -2.548 0.796 -4.333 52 2HG2 VAL 60 HG22 VAL 60 -1.814 -0.771 -3.836 53 3HG2 VAL 60 HG23 VAL 60 -1.720 0.660 -2.733 54 H PHE 61 HN PHE 61 2.100 3.461 -4.153 55 HA PHE 61 HA PHE 61 2.590 3.657 -7.041 56 1HB PHE 61 HB1 PHE 61 3.656 5.065 -4.579 57 2HB PHE 61 HB2 PHE 61 4.623 5.044 -6.159 58 HD1 PHE 61 HD2 PHE 61 1.133 5.587 -4.774 59 HD2 PHE 61 HD1 PHE 61 4.090 6.792 -7.623 60 HE1 PHE 61 HE2 PHE 61 -0.288 7.441 -5.471 61 HE2 PHE 61 HE1 PHE 61 2.693 8.712 -8.228 62 HZ PHE 61 HZ PHE 61 0.524 9.066 -7.119 63 H LEU 62 HN LEU 62 4.531 2.752 -8.031 64 HA LEU 62 HA LEU 62 5.389 0.447 -6.401 65 1HB LEU 62 HB1 LEU 62 5.621 1.149 -9.337 66 2HB LEU 62 HB2 LEU 62 6.592 -0.153 -8.620 67 HG LEU 62 HG LEU 62 4.347 -0.821 -9.727 68 1HD1 LEU 62 HD13 LEU 62 5.842 -2.333 -8.414 69 2HD1 LEU 62 HD11 LEU 62 4.914 -1.883 -6.920 70 3HD1 LEU 62 HD12 LEU 62 4.088 -2.715 -8.286 71 1HD2 LEU 62 HD21 LEU 62 2.870 0.813 -8.602 72 2HD2 LEU 62 HD22 LEU 62 2.394 -0.896 -8.267 73 3HD2 LEU 62 HD23 LEU 62 3.243 0.024 -6.997 74 HA PRO 63 HA PRO 63 9.265 2.324 -5.972 75 1HB PRO 63 HB1 PRO 63 10.881 0.025 -6.145 76 2HB PRO 63 HB2 PRO 63 10.315 0.811 -4.699 77 1HG PRO 63 HG1 PRO 63 9.380 -1.688 -5.856 78 2HG PRO 63 HG2 PRO 63 9.038 -1.035 -4.282 79 1HD PRO 63 HD1 PRO 63 7.173 -1.199 -6.336 80 2HD PRO 63 HD2 PRO 63 7.030 -0.113 -5.004 81 H ASN 64 HN ASN 64 8.199 0.468 -8.691 82 HA ASN 64 HA ASN 64 10.482 1.288 -10.307 83 1HB ASN 64 HB1 ASN 64 7.809 0.066 -11.194 84 2HB ASN 64 HB2 ASN 64 9.329 0.216 -12.177 85 1HD2 ASN 64 HD21 ASN 64 10.779 -2.713 -10.747 86 2HD2 ASN 64 HD22 ASN 64 10.910 -1.412 -11.882 87 H LYS 65 HN LYS 65 8.331 3.030 -8.769 88 HA LYS 65 HA LYS 65 7.820 5.117 -9.050 89 1HB LYS 65 HB1 LYS 65 8.336 5.037 -12.051 90 2HB LYS 65 HB2 LYS 65 8.201 6.469 -11.003 91 1HG LYS 65 HG1 LYS 65 10.422 4.356 -10.774 92 2HG LYS 65 HG2 LYS 65 10.571 5.883 -11.651 93 1HD LYS 65 HD1 LYS 65 11.347 6.783 -9.712 94 2HD LYS 65 HD2 LYS 65 9.662 6.773 -9.143 95 1HE LYS 65 HE1 LYS 65 10.029 4.516 -8.091 96 2HE LYS 65 HE2 LYS 65 11.733 4.514 -8.709 97 1HZ LYS 65 HZ2 LYS 65 12.107 6.531 -7.457 98 2HZ LYS 65 HZ3 LYS 65 10.517 6.495 -6.864 99 3HZ LYS 65 HZ1 LYS 65 11.604 5.256 -6.456 100 H GLN 66 HN GLN 66 6.435 2.592 -10.842 101 HA GLN 66 HA GLN 66 4.380 3.872 -11.806 102 1HB GLN 66 HB1 GLN 66 4.920 0.991 -11.097 103 2HB GLN 66 HB2 GLN 66 3.227 1.345 -11.377 104 1HG GLN 66 HG1 GLN 66 4.232 0.556 -13.429 105 2HG GLN 66 HG2 GLN 66 3.657 2.286 -13.601 106 1HE2 GLN 66 HE21 GLN 66 7.711 1.494 -13.579 107 2HE2 GLN 66 HE22 GLN 66 6.593 0.231 -13.262 108 H ARG 67 HN ARG 67 1.894 3.119 -11.294 109 HA ARG 67 HA ARG 67 1.368 3.485 -8.460 110 1HB ARG 67 HB1 ARG 67 -0.059 5.476 -8.917 111 2HB ARG 67 HB2 ARG 67 1.672 5.773 -8.932 112 1HG ARG 67 HG1 ARG 67 0.496 5.046 -11.623 113 2HG ARG 67 HG2 ARG 67 -0.178 6.495 -10.917 114 1HD ARG 67 HD1 ARG 67 1.565 7.697 -11.662 115 2HD ARG 67 HD2 ARG 67 2.598 6.855 -10.440 116 HE ARG 67 HE ARG 67 2.094 5.627 -13.182 117 1HH1 ARG 67 HH22 ARG 67 4.014 7.941 -11.539 118 2HH1 ARG 67 HH21 ARG 67 5.238 7.888 -12.749 119 1HH2 ARG 67 HH12 ARG 67 4.227 4.846 -14.078 120 2HH2 ARG 67 HH11 ARG 67 5.288 6.151 -14.264 121 H THR 68 HN THR 68 -1.010 3.487 -8.095 122 HA THR 68 HA THR 68 -2.790 2.992 -10.169 123 HB THR 68 HB THR 68 -1.691 0.739 -10.375 124 HG1 THR 68 HG1 THR 68 -3.709 -0.394 -9.862 125 1HG2 THR 68 HG23 THR 68 -1.034 0.507 -7.910 126 2HG2 THR 68 HG21 THR 68 -2.776 0.179 -7.554 127 3HG2 THR 68 HG22 THR 68 -1.854 -0.930 -8.638 128 H VAL 69 HN VAL 69 -4.960 2.059 -9.057 129 HA VAL 69 HA VAL 69 -5.005 3.240 -6.335 130 HB VAL 69 HB VAL 69 -6.242 4.764 -7.594 131 1HG1 VAL 69 HG13 VAL 69 -6.569 3.509 -9.703 132 2HG1 VAL 69 HG11 VAL 69 -7.744 2.407 -8.872 133 3HG1 VAL 69 HG12 VAL 69 -8.129 4.156 -9.084 134 1HG2 VAL 69 HG22 VAL 69 -7.207 4.139 -5.451 135 2HG2 VAL 69 HG23 VAL 69 -8.396 4.737 -6.664 136 3HG2 VAL 69 HG21 VAL 69 -8.306 2.978 -6.315 137 H VAL 70 HN VAL 70 -6.134 2.080 -4.796 138 HA VAL 70 HA VAL 70 -7.229 -0.517 -5.706 139 HB VAL 70 HB VAL 70 -6.345 -1.586 -3.680 140 1HG1 VAL 70 HG11 VAL 70 -5.077 -1.846 -5.778 141 2HG1 VAL 70 HG12 VAL 70 -4.132 -0.364 -5.398 142 3HG1 VAL 70 HG13 VAL 70 -4.003 -1.820 -4.321 143 1HG2 VAL 70 HG23 VAL 70 -4.750 0.989 -3.233 144 2HG2 VAL 70 HG21 VAL 70 -6.085 0.340 -2.191 145 3HG2 VAL 70 HG22 VAL 70 -4.546 -0.574 -2.353 146 H ASN 71 HN ASN 71 -8.810 -1.391 -4.177 147 HA ASN 71 HA ASN 71 -9.997 0.726 -2.483 148 1HB ASN 71 HB1 ASN 71 -11.633 -1.293 -4.085 149 2HB ASN 71 HB2 ASN 71 -12.230 0.085 -3.083 150 1HD2 ASN 71 HD21 ASN 71 -11.736 0.891 -6.913 151 2HD2 ASN 71 HD22 ASN 71 -12.164 -0.630 -6.213 152 H VAL 72 HN VAL 72 -10.580 -0.033 -0.448 153 HA VAL 72 HA VAL 72 -9.781 -2.825 0.067 154 HB VAL 72 HB VAL 72 -8.652 -1.423 1.552 155 1HG1 VAL 72 HG12 VAL 72 -9.938 0.645 1.156 156 2HG1 VAL 72 HG13 VAL 72 -11.231 0.025 2.261 157 3HG1 VAL 72 HG11 VAL 72 -9.561 0.315 2.885 158 1HG2 VAL 72 HG21 VAL 72 -10.151 -3.437 2.511 159 2HG2 VAL 72 HG22 VAL 72 -9.199 -2.320 3.588 160 3HG2 VAL 72 HG23 VAL 72 -10.978 -2.096 3.359 161 H ARG 73 HN ARG 73 -11.421 -4.281 -0.079 162 HA ARG 73 HA ARG 73 -14.153 -3.342 0.524 163 1HB ARG 73 HB1 ARG 73 -13.011 -5.789 -0.857 164 2HB ARG 73 HB2 ARG 73 -14.537 -5.907 -0.129 165 1HG ARG 73 HG1 ARG 73 -15.076 -5.266 -2.385 166 2HG ARG 73 HG2 ARG 73 -15.292 -3.770 -1.473 167 1HD ARG 73 HD1 ARG 73 -12.647 -3.429 -2.202 168 2HD ARG 73 HD2 ARG 73 -13.137 -4.586 -3.489 169 HE ARG 73 HE ARG 73 -14.948 -2.999 -4.157 170 1HH1 ARG 73 HH22 ARG 73 -13.497 -1.955 -1.181 171 2HH1 ARG 73 HH21 ARG 73 -14.202 -0.373 -1.269 172 1HH2 ARG 73 HH12 ARG 73 -15.460 -0.770 -4.521 173 2HH2 ARG 73 HH11 ARG 73 -15.372 0.268 -3.138 174 H ASN 74 HN ASN 74 -15.344 -4.618 2.069 175 HA ASN 74 HA ASN 74 -15.498 -5.059 4.333 176 1HB ASN 74 HB1 ASN 74 -13.581 -7.241 3.457 177 2HB ASN 74 HB2 ASN 74 -14.926 -7.270 4.777 178 1HD2 ASN 74 HD21 ASN 74 -16.212 -8.920 1.700 179 2HD2 ASN 74 HD22 ASN 74 -14.787 -9.171 2.647 180 H GLY 75 HN GLY 75 -12.954 -6.593 5.485 181 1HA GLY 75 HA2 GLY 75 -11.358 -4.148 6.032 182 2HA GLY 75 HA1 GLY 75 -11.609 -5.553 7.108 183 H MET 76 HN MET 76 -10.336 -4.588 3.877 184 HA MET 76 HA MET 76 -8.987 -7.042 3.476 185 1HB MET 76 HB1 MET 76 -8.351 -4.296 2.270 186 2HB MET 76 HB2 MET 76 -7.489 -5.683 1.865 187 1HG MET 76 HG1 MET 76 -9.934 -6.818 1.347 188 2HG MET 76 HG2 MET 76 -10.403 -5.157 1.233 189 1HE MET 76 HE1 MET 76 -10.750 -7.003 -1.130 190 2HE MET 76 HE2 MET 76 -10.905 -5.274 -1.625 191 3HE MET 76 HE3 MET 76 -9.889 -6.388 -2.576 192 H SER 77 HN SER 77 -6.738 -7.280 3.393 193 HA SER 77 HA SER 77 -5.199 -5.757 5.462 194 1HB SER 77 HB1 SER 77 -4.944 -8.609 4.393 195 2HB SER 77 HB2 SER 77 -3.505 -7.702 4.607 196 HG SER 77 HG1 SER 77 -5.582 -8.146 6.586 197 H LEU 78 HN LEU 78 -3.237 -5.053 4.712 198 HA LEU 78 HA LEU 78 -2.871 -4.094 2.228 199 1HB LEU 78 HB1 LEU 78 -1.439 -4.467 4.676 200 2HB LEU 78 HB2 LEU 78 -0.418 -4.287 3.363 201 HG LEU 78 HG LEU 78 -2.891 -2.539 4.135 202 1HD1 LEU 78 HD22 LEU 78 -0.300 -2.131 4.944 203 2HD1 LEU 78 HD23 LEU 78 -1.637 -0.889 4.804 204 3HD1 LEU 78 HD21 LEU 78 -2.010 -2.300 5.719 205 1HD2 LEU 78 HD13 LEU 78 -1.239 -2.231 1.728 206 2HD2 LEU 78 HD11 LEU 78 -1.379 -0.725 2.849 207 3HD2 LEU 78 HD12 LEU 78 -0.031 -1.937 2.980 208 H HIS 79 HN HSP 79 -1.089 -6.837 3.398 209 HA HIS 79 HA HSP 79 -0.242 -7.650 1.077 210 1HB HIS 79 HB1 HSP 79 -0.533 -9.041 3.662 211 2HB HIS 79 HB2 HSP 79 -0.997 -10.195 2.456 212 HD1 HIS 79 HD1 HSP 79 1.271 -8.879 0.363 213 HD2 HIS 79 HD2 HSP 79 1.968 -9.900 4.337 214 HE1 HIS 79 HE1 HSP 79 3.787 -8.850 0.835 215 HE2 HIS 79 HE2 HSP 79 4.124 -9.790 3.053 216 H ASP 80 HN ASP 80 -3.554 -7.774 1.938 217 HA ASP 80 HA ASP 80 -4.144 -9.385 -0.489 218 1HB ASP 80 HB1 ASP 80 -5.789 -8.479 1.929 219 2HB ASP 80 HB2 ASP 80 -6.569 -9.020 0.423 220 H CYS 81 HN CYS 81 -4.074 -6.295 1.021 221 HA CYS 81 HA CYS 81 -5.773 -5.056 -0.846 222 1HB CYS 81 HB1 CYS 81 -4.614 -4.445 1.812 223 2HB CYS 81 HB2 CYS 81 -4.063 -3.193 0.763 224 HG1 CYS 81 HG1 CYS 81 -6.286 -2.579 -0.503 225 H LEU 82 HN LEU 82 -2.403 -5.646 -0.675 226 HA LEU 82 HA LEU 82 -1.837 -3.769 -2.879 227 1HB LEU 82 HB1 LEU 82 -0.196 -5.489 -0.873 228 2HB LEU 82 HB2 LEU 82 0.586 -4.769 -2.148 229 HG LEU 82 HG LEU 82 -0.542 -3.681 0.385 230 1HD1 LEU 82 HD12 LEU 82 1.676 -2.912 -1.625 231 2HD1 LEU 82 HD13 LEU 82 1.060 -1.580 -0.649 232 3HD1 LEU 82 HD11 LEU 82 1.780 -2.992 0.214 233 1HD2 LEU 82 HD23 LEU 82 -1.117 -2.102 -2.108 234 2HD2 LEU 82 HD21 LEU 82 -2.225 -2.653 -0.846 235 3HD2 LEU 82 HD22 LEU 82 -1.023 -1.375 -0.406 236 H MET 83 HN MET 83 -1.826 -7.071 -1.883 237 HA MET 83 HA MET 83 -0.435 -8.326 -4.011 238 1HB MET 83 HB1 MET 83 -1.346 -9.561 -2.089 239 2HB MET 83 HB2 MET 83 -2.948 -8.902 -2.335 240 1HG MET 83 HG1 MET 83 -3.140 -11.061 -3.092 241 2HG MET 83 HG2 MET 83 -3.163 -10.074 -4.529 242 1HE MET 83 HE1 MET 83 -1.237 -12.580 -2.225 243 2HE MET 83 HE2 MET 83 0.395 -12.767 -2.946 244 3HE MET 83 HE3 MET 83 -0.034 -11.251 -2.100 245 H LYS 84 HN LYS 84 -3.853 -7.013 -3.743 246 HA LYS 84 HA LYS 84 -4.716 -7.477 -6.081 247 1HB LYS 84 HB1 LYS 84 -5.587 -6.030 -4.042 248 2HB LYS 84 HB2 LYS 84 -4.386 -4.796 -4.440 249 1HG LYS 84 HG1 LYS 84 -6.905 -4.534 -5.107 250 2HG LYS 84 HG2 LYS 84 -5.628 -4.057 -6.265 251 1HD LYS 84 HD1 LYS 84 -5.818 -6.031 -7.552 252 2HD LYS 84 HD2 LYS 84 -6.658 -6.875 -6.344 253 1HE LYS 84 HE1 LYS 84 -8.378 -6.249 -8.064 254 2HE LYS 84 HE2 LYS 84 -8.693 -5.167 -6.649 255 1HZ LYS 84 HZ1 LYS 84 -7.069 -4.510 -9.051 256 2HZ LYS 84 HZ2 LYS 84 -8.653 -3.983 -8.732 257 3HZ LYS 84 HZ3 LYS 84 -7.367 -3.482 -7.739 258 H ALA 85 HN ALA 85 -2.761 -4.621 -5.331 259 HA ALA 85 HA ALA 85 -2.727 -3.915 -8.036 260 1HB ALA 85 HB1 ALA 85 -2.626 -2.428 -5.797 261 2HB ALA 85 HB2 ALA 85 -0.952 -3.103 -5.512 262 3HB ALA 85 HB3 ALA 85 -1.233 -1.974 -6.872 263 H LEU 86 HN LEU 86 -0.825 -6.189 -6.653 264 HA LEU 86 HA LEU 86 1.504 -5.668 -8.509 265 1HB LEU 86 HB1 LEU 86 1.351 -7.273 -5.931 266 2HB LEU 86 HB2 LEU 86 2.752 -6.854 -6.744 267 HG LEU 86 HG LEU 86 0.854 -4.624 -5.758 268 1HD1 LEU 86 HD23 LEU 86 1.240 -6.172 -3.973 269 2HD1 LEU 86 HD21 LEU 86 2.960 -5.551 -3.931 270 3HD1 LEU 86 HD22 LEU 86 1.518 -4.428 -3.738 271 1HD2 LEU 86 HD13 LEU 86 2.520 -3.938 -7.385 272 2HD2 LEU 86 HD11 LEU 86 2.701 -3.138 -5.786 273 3HD2 LEU 86 HD12 LEU 86 3.835 -4.487 -6.271 274 H LYS 87 HN LYS 87 -0.509 -8.123 -6.864 275 HA LYS 87 HA LYS 87 0.053 -10.243 -8.416 276 1HB LYS 87 HB1 LYS 87 -2.037 -9.754 -6.725 277 2HB LYS 87 HB2 LYS 87 -2.911 -9.302 -8.191 278 1HG LYS 87 HG1 LYS 87 -1.304 -11.921 -7.798 279 2HG LYS 87 HG2 LYS 87 -2.711 -11.625 -6.813 280 1HD LYS 87 HD1 LYS 87 -4.175 -12.177 -8.573 281 2HD LYS 87 HD2 LYS 87 -3.306 -11.112 -9.697 282 1HE LYS 87 HE1 LYS 87 -2.401 -13.968 -8.953 283 2HE LYS 87 HE2 LYS 87 -3.281 -13.488 -10.460 284 1HZ LYS 87 HZ1 LYS 87 -1.336 -11.782 -10.598 285 2HZ LYS 87 HZ2 LYS 87 -0.533 -12.917 -9.643 286 3HZ LYS 87 HZ3 LYS 87 -1.167 -13.383 -11.152 287 H VAL 88 HN VAL 88 -2.166 -7.644 -9.279 288 HA VAL 88 HA VAL 88 -2.749 -8.459 -11.833 289 HB VAL 88 HB VAL 88 -3.870 -6.560 -10.608 290 1HG1 VAL 88 HG13 VAL 88 -1.695 -5.430 -9.919 291 2HG1 VAL 88 HG11 VAL 88 -1.624 -4.760 -11.613 292 3HG1 VAL 88 HG12 VAL 88 -2.998 -4.328 -10.640 293 1HG2 VAL 88 HG23 VAL 88 -4.205 -6.718 -13.118 294 2HG2 VAL 88 HG21 VAL 88 -4.215 -5.005 -12.490 295 3HG2 VAL 88 HG22 VAL 88 -2.768 -5.598 -13.314 296 H ARG 89 HN ARG 89 0.199 -6.927 -10.635 297 HA ARG 89 HA ARG 89 1.296 -6.432 -13.273 298 1HB ARG 89 HB1 ARG 89 2.631 -6.530 -10.522 299 2HB ARG 89 HB2 ARG 89 3.275 -5.803 -11.965 300 1HG ARG 89 HG1 ARG 89 0.952 -4.454 -11.838 301 2HG ARG 89 HG2 ARG 89 0.915 -4.947 -10.229 302 1HD ARG 89 HD1 ARG 89 3.153 -4.074 -9.654 303 2HD ARG 89 HD2 ARG 89 3.349 -3.426 -11.323 304 HE ARG 89 HE ARG 89 1.165 -2.615 -9.311 305 1HH1 ARG 89 HH22 ARG 89 2.146 -2.471 -12.606 306 2HH1 ARG 89 HH21 ARG 89 1.259 -1.018 -12.924 307 1HH2 ARG 89 HH12 ARG 89 0.483 -0.388 -9.562 308 2HH2 ARG 89 HH11 ARG 89 0.250 0.132 -11.192 309 H GLY 90 HN GLY 90 1.694 -8.662 -10.569 310 1HA GLY 90 HA2 GLY 90 2.181 -10.966 -10.910 311 2HA GLY 90 HA1 GLY 90 3.141 -10.569 -12.371 312 H LEU 91 HN LEU 91 3.164 -8.704 -9.331 313 HA LEU 91 HA LEU 91 6.023 -9.330 -9.109 314 1HB LEU 91 HB1 LEU 91 4.278 -7.066 -7.998 315 2HB LEU 91 HB2 LEU 91 5.993 -7.285 -7.594 316 HG LEU 91 HG LEU 91 4.709 -6.393 -10.197 317 1HD1 LEU 91 HD22 LEU 91 5.602 -4.719 -8.604 318 2HD1 LEU 91 HD23 LEU 91 7.237 -5.471 -8.740 319 3HD1 LEU 91 HD21 LEU 91 6.464 -4.718 -10.191 320 1HD2 LEU 91 HD13 LEU 91 7.372 -7.867 -10.070 321 2HD2 LEU 91 HD11 LEU 91 5.920 -8.243 -11.070 322 3HD2 LEU 91 HD12 LEU 91 6.864 -6.747 -11.411 323 H GLN 92 HN GLN 92 6.872 -9.227 -6.796 324 HA GLN 92 HA GLN 92 5.083 -10.861 -5.091 325 1HB GLN 92 HB1 GLN 92 8.112 -10.513 -5.061 326 2HB GLN 92 HB2 GLN 92 7.207 -11.454 -3.890 327 1HG GLN 92 HG1 GLN 92 6.899 -12.007 -6.938 328 2HG GLN 92 HG2 GLN 92 8.404 -12.464 -6.153 329 1HE2 GLN 92 HE21 GLN 92 4.997 -14.429 -4.755 330 2HE2 GLN 92 HE22 GLN 92 4.831 -12.814 -5.303 331 HA PRO 93 HA PRO 93 5.501 -7.228 -2.643 332 1HB PRO 93 HB1 PRO 93 3.398 -7.684 -0.991 333 2HB PRO 93 HB2 PRO 93 3.206 -7.039 -2.606 334 1HG PRO 93 HG1 PRO 93 2.613 -9.784 -1.655 335 2HG PRO 93 HG2 PRO 93 1.838 -8.847 -2.923 336 1HD PRO 93 HD1 PRO 93 3.644 -10.885 -3.387 337 2HD PRO 93 HD2 PRO 93 3.376 -9.575 -4.510 338 H GLU 94 HN GLU 94 5.564 -10.607 -1.702 339 HA GLU 94 HA GLU 94 5.636 -10.171 1.067 340 1HB GLU 94 HB1 GLU 94 6.905 -12.553 -0.374 341 2HB GLU 94 HB2 GLU 94 6.384 -12.491 1.315 342 1HG GLU 94 HG1 GLU 94 4.496 -13.526 0.541 343 2HG GLU 94 HG2 GLU 94 3.975 -11.840 0.140 344 H CYS 95 HN CYS 95 8.028 -9.632 -1.371 345 HA CYS 95 HA CYS 95 10.195 -9.916 0.603 346 1HB CYS 95 HB1 CYS 95 10.155 -10.908 -1.880 347 2HB CYS 95 HB2 CYS 95 10.543 -9.250 -2.348 348 HG1 CYS 95 HG1 CYS 95 12.607 -9.041 -0.629 349 H CYS 96 HN CYS 96 8.004 -7.630 0.006 350 HA CYS 96 HA CYS 96 10.010 -5.453 -0.092 351 1HB CYS 96 HB1 CYS 96 7.108 -5.594 -1.106 352 2HB CYS 96 HB2 CYS 96 8.082 -4.156 -1.131 353 HG1 CYS 96 HG1 CYS 96 10.098 -5.146 -2.549 354 H ALA 97 HN ALA 97 8.929 -3.365 0.704 355 HA ALA 97 HA ALA 97 7.341 -3.894 3.130 356 1HB ALA 97 HB1 ALA 97 9.605 -1.844 2.862 357 2HB ALA 97 HB2 ALA 97 8.326 -1.725 4.078 358 3HB ALA 97 HB3 ALA 97 9.392 -3.153 4.160 359 H VAL 98 HN VAL 98 5.533 -2.607 3.187 360 HA VAL 98 HA VAL 98 5.275 -0.658 0.989 361 HB VAL 98 HB VAL 98 3.624 -2.303 0.706 362 1HG1 VAL 98 HG12 VAL 98 3.157 -2.172 3.701 363 2HG1 VAL 98 HG13 VAL 98 2.066 -2.985 2.516 364 3HG1 VAL 98 HG11 VAL 98 3.750 -3.576 2.700 365 1HG2 VAL 98 HG21 VAL 98 2.666 -0.023 0.564 366 2HG2 VAL 98 HG22 VAL 98 1.473 -1.197 1.280 367 3HG2 VAL 98 HG23 VAL 98 2.291 -0.092 2.361 368 H PHE 99 HN PHE 99 4.097 1.308 1.488 369 HA PHE 99 HA PHE 99 4.294 2.162 4.298 370 1HB PHE 99 HB1 PHE 99 5.721 3.426 1.864 371 2HB PHE 99 HB2 PHE 99 5.346 4.351 3.275 372 HD1 PHE 99 HD1 PHE 99 6.995 1.319 1.805 373 HD2 PHE 99 HD2 PHE 99 7.004 3.847 5.290 374 HE1 PHE 99 HE1 PHE 99 9.261 0.634 2.352 375 HE2 PHE 99 HE2 PHE 99 9.200 3.084 5.811 376 HZ PHE 99 HZ PHE 99 10.489 1.987 4.001 377 H ARG 100 HN ARG 100 3.365 4.352 4.515 378 HA ARG 100 HA ARG 100 1.452 5.214 2.339 379 1HB ARG 100 HB1 ARG 100 -0.024 5.199 3.722 380 2HB ARG 100 HB2 ARG 100 1.112 5.092 5.077 381 1HG ARG 100 HG1 ARG 100 1.803 7.511 4.698 382 2HG ARG 100 HG2 ARG 100 0.238 7.649 3.797 383 1HD ARG 100 HD1 ARG 100 -0.498 6.398 6.170 384 2HD ARG 100 HD2 ARG 100 1.075 7.025 6.690 385 HE ARG 100 HE ARG 100 -1.427 8.566 5.655 386 1HH1 ARG 100 HH22 ARG 100 1.976 9.061 5.808 387 2HH1 ARG 100 HH21 ARG 100 1.868 10.678 6.357 388 1HH2 ARG 100 HH12 ARG 100 -1.658 10.714 6.227 389 2HH2 ARG 100 HH11 ARG 100 -0.220 11.686 6.499 390 H LEU 101 HN LEU 101 1.918 7.203 1.492 391 HA LEU 101 HA LEU 101 4.674 7.860 1.646 392 1HB LEU 101 HB1 LEU 101 2.265 9.284 0.272 393 2HB LEU 101 HB2 LEU 101 3.963 9.781 0.021 394 HG LEU 101 HG LEU 101 2.735 7.087 -0.769 395 1HD1 LEU 101 HD23 LEU 101 2.167 9.056 -2.213 396 2HD1 LEU 101 HD21 LEU 101 3.927 9.231 -2.568 397 3HD1 LEU 101 HD22 LEU 101 3.054 7.709 -3.022 398 1HD2 LEU 101 HD13 LEU 101 5.614 7.915 -0.515 399 2HD2 LEU 101 HD11 LEU 101 4.811 6.332 -0.239 400 3HD2 LEU 101 HD12 LEU 101 5.131 6.973 -1.941 401 H LEU 102 HN LEU 102 5.085 10.499 1.584 402 HA LEU 102 HA LEU 102 4.425 11.304 4.288 403 1HB LEU 102 HB1 LEU 102 5.882 13.281 3.477 404 2HB LEU 102 HB2 LEU 102 6.605 11.745 3.997 405 HG LEU 102 HG LEU 102 5.940 12.154 1.049 406 1HD1 LEU 102 HD23 LEU 102 8.370 13.285 2.490 407 2HD1 LEU 102 HD21 LEU 102 8.267 12.984 0.702 408 3HD1 LEU 102 HD22 LEU 102 7.150 14.158 1.495 409 1HD2 LEU 102 HD11 LEU 102 6.837 9.912 2.191 410 2HD2 LEU 102 HD12 LEU 102 7.561 10.506 0.634 411 3HD2 LEU 102 HD13 LEU 102 8.413 10.777 2.196 412 H HIS 103 HN HSP 103 2.444 12.299 4.556 413 HA HIS 103 HA HSP 103 1.808 14.393 2.539 414 1HB HIS 103 HB1 HSP 103 -0.010 12.836 4.428 415 2HB HIS 103 HB2 HSP 103 -0.504 14.307 3.515 416 HD1 HIS 103 HD1 HSP 103 -1.985 11.687 3.020 417 HD2 HIS 103 HD2 HSP 103 1.215 13.095 0.672 418 HE1 HIS 103 HE1 HSP 103 -2.322 10.830 0.677 419 HE2 HIS 103 HE2 HSP 103 -0.452 11.735 -0.733 420 H GLU 104 HN GLU 104 3.536 13.929 5.251 421 HA GLU 104 HA GLU 104 3.026 16.617 6.331 422 1HB GLU 104 HB1 GLU 104 2.443 16.055 8.482 423 2HB GLU 104 HB2 GLU 104 1.181 15.594 7.340 424 1HG GLU 104 HG1 GLU 104 3.302 13.614 8.439 425 2HG GLU 104 HG2 GLU 104 1.693 13.911 9.169 426 H HIS 105 HN HSP 105 5.295 15.023 5.035 427 HA HIS 105 HA HSP 105 7.105 15.291 7.306 428 1HB HIS 105 HB1 HSP 105 7.621 12.906 5.538 429 2HB HIS 105 HB2 HSP 105 8.180 13.240 7.195 430 HD1 HIS 105 HD1 HSP 105 5.999 13.348 8.991 431 HD2 HIS 105 HD2 HSP 105 5.811 10.842 5.638 432 HE1 HIS 105 HE1 HSP 105 4.503 11.389 9.597 433 HE2 HIS 105 HE2 HSP 105 4.360 9.948 7.533 434 H LYS 106 HN LYS 106 9.454 15.213 6.369 435 HA LYS 106 HA LYS 106 9.351 16.834 4.023 436 1HB LYS 106 HB1 LYS 106 10.766 17.463 6.037 437 2HB LYS 106 HB2 LYS 106 11.687 15.962 5.821 438 1HG LYS 106 HG1 LYS 106 13.001 17.724 4.877 439 2HG LYS 106 HG2 LYS 106 12.418 16.786 3.517 440 1HD LYS 106 HD1 LYS 106 10.409 18.838 3.974 441 2HD LYS 106 HD2 LYS 106 11.968 19.642 4.190 442 1HE LYS 106 HE1 LYS 106 11.480 19.904 1.869 443 2HE LYS 106 HE2 LYS 106 12.711 18.579 1.923 444 1HZ LYS 106 HZ1 LYS 106 10.830 17.010 1.887 445 2HZ LYS 106 HZ2 LYS 106 9.760 18.308 1.694 446 3HZ LYS 106 HZ3 LYS 106 10.929 17.983 0.499 447 H GLY 107 HN GLY 107 10.477 13.680 5.044 448 1HA GLY 107 HA2 GLY 107 10.527 12.672 2.408 449 2HA GLY 107 HA1 GLY 107 12.190 13.096 2.958 450 H LYS 108 HN LYS 108 9.181 11.418 4.181 451 HA LYS 108 HA LYS 108 10.763 9.117 4.888 452 1HB LYS 108 HB1 LYS 108 9.430 10.789 7.023 453 2HB LYS 108 HB2 LYS 108 9.784 9.037 7.170 454 1HG LYS 108 HG1 LYS 108 12.239 9.841 6.376 455 2HG LYS 108 HG2 LYS 108 11.715 11.358 7.123 456 1HD LYS 108 HD1 LYS 108 11.162 9.847 9.228 457 2HD LYS 108 HD2 LYS 108 11.818 8.471 8.308 458 1HE LYS 108 HE1 LYS 108 14.064 9.608 8.182 459 2HE LYS 108 HE2 LYS 108 13.397 11.003 9.125 460 1HZ LYS 108 HZ3 LYS 108 13.516 8.174 10.021 461 2HZ LYS 108 HZ1 LYS 108 14.542 9.435 10.514 462 3HZ LYS 108 HZ2 LYS 108 12.891 9.481 10.906 463 H LYS 109 HN LYS 109 9.432 7.357 4.612 464 HA LYS 109 HA LYS 109 6.625 7.880 3.914 465 1HB LYS 109 HB1 LYS 109 8.629 5.845 3.233 466 2HB LYS 109 HB2 LYS 109 7.333 5.232 3.419 467 1HG LYS 109 HG1 LYS 109 6.643 7.397 1.620 468 2HG LYS 109 HG2 LYS 109 8.372 7.612 1.648 469 1HD LYS 109 HD1 LYS 109 7.416 4.813 1.108 470 2HD LYS 109 HD2 LYS 109 6.996 5.925 -0.113 471 1HE LYS 109 HE1 LYS 109 9.858 5.758 1.168 472 2HE LYS 109 HE2 LYS 109 9.350 4.495 -0.032 473 1HZ LYS 109 HZ2 LYS 109 8.953 6.258 -1.621 474 2HZ LYS 109 HZ3 LYS 109 9.464 7.426 -0.494 475 3HZ LYS 109 HZ1 LYS 109 10.563 6.251 -1.077 476 H ALA 110 HN ALA 110 5.130 6.577 4.992 477 HA ALA 110 HA ALA 110 5.913 6.166 7.826 478 1HB ALA 110 HB3 ALA 110 3.078 6.462 6.767 479 2HB ALA 110 HB1 ALA 110 3.557 6.028 8.460 480 3HB ALA 110 HB2 ALA 110 3.964 7.654 7.796 481 H ARG 111 HN ARG 111 6.142 3.948 8.404 482 HA ARG 111 HA ARG 111 5.769 2.235 6.080 483 1HB ARG 111 HB1 ARG 111 8.008 2.450 7.231 484 2HB ARG 111 HB2 ARG 111 7.242 1.842 8.706 485 1HG ARG 111 HG1 ARG 111 6.695 0.084 6.393 486 2HG ARG 111 HG2 ARG 111 8.408 0.275 6.678 487 1HD ARG 111 HD1 ARG 111 7.851 -0.168 9.222 488 2HD ARG 111 HD2 ARG 111 6.255 -0.580 8.716 489 HE ARG 111 HE ARG 111 7.225 -2.463 7.255 490 1HH1 ARG 111 HH22 ARG 111 9.745 -0.410 8.470 491 2HH1 ARG 111 HH21 ARG 111 11.015 -1.449 7.888 492 1HH2 ARG 111 HH12 ARG 111 8.864 -4.098 7.068 493 2HH2 ARG 111 HH11 ARG 111 10.499 -3.518 7.011 494 H LEU 112 HN LEU 112 4.639 0.405 6.218 495 HA LEU 112 HA LEU 112 2.617 0.430 8.397 496 1HB LEU 112 HB1 LEU 112 2.378 -0.317 5.439 497 2HB LEU 112 HB2 LEU 112 1.068 -0.452 6.635 498 HG LEU 112 HG LEU 112 2.477 2.139 5.940 499 1HD1 LEU 112 HD12 LEU 112 1.301 1.260 3.947 500 2HD1 LEU 112 HD13 LEU 112 -0.217 1.107 4.905 501 3HD1 LEU 112 HD11 LEU 112 0.499 2.742 4.600 502 1HD2 LEU 112 HD21 LEU 112 1.565 2.257 8.143 503 2HD2 LEU 112 HD22 LEU 112 0.660 3.309 7.004 504 3HD2 LEU 112 HD23 LEU 112 -0.061 1.738 7.529 505 H ASP 113 HN ASP 113 1.274 -1.754 7.879 506 HA ASP 113 HA ASP 113 3.281 -3.874 8.264 507 1HB ASP 113 HB1 ASP 113 1.676 -3.427 10.255 508 2HB ASP 113 HB2 ASP 113 0.394 -4.149 9.185 509 H TRP 114 HN TRP 114 3.021 -5.629 6.835 510 HA TRP 114 HA TRP 114 1.561 -5.416 4.881 511 1HB TRP 114 HB1 TRP 114 3.112 -7.681 6.215 512 2HB TRP 114 HB2 TRP 114 1.936 -8.336 5.073 513 HD1 TRP 114 HD1 TRP 114 5.391 -8.076 4.666 514 HE1 TRP 114 HE1 TRP 114 6.184 -6.935 2.479 515 HE3 TRP 114 HE3 TRP 114 1.034 -6.222 3.350 516 HZ2 TRP 114 HZ2 TRP 114 4.779 -5.797 0.156 517 HZ3 TRP 114 HZ3 TRP 114 0.625 -5.426 1.022 518 HH2 TRP 114 HH2 TRP 114 2.442 -5.374 -0.558 519 H ASN 115 HN ASN 115 0.385 -6.417 7.894 520 HA ASN 115 HA ASN 115 -2.048 -7.574 6.698 521 1HB ASN 115 HB1 ASN 115 -0.571 -8.120 9.022 522 2HB ASN 115 HB2 ASN 115 -1.709 -6.990 9.677 523 1HD2 ASN 115 HD21 ASN 115 -4.561 -9.161 9.272 524 2HD2 ASN 115 HD22 ASN 115 -4.102 -7.501 9.287 525 H THR 116 HN THR 116 -1.129 -4.560 6.545 526 HA THR 116 HA THR 116 -2.512 -3.585 8.651 527 HB THR 116 HB THR 116 -0.359 -2.544 7.362 528 HG1 THR 116 HG1 THR 116 -1.183 -1.315 9.506 529 1HG2 THR 116 HG21 THR 116 -2.486 -0.709 6.732 530 2HG2 THR 116 HG22 THR 116 -2.522 -0.514 8.508 531 3HG2 THR 116 HG23 THR 116 -1.032 -0.067 7.566 532 H ASP 117 HN ASP 117 -4.265 -2.212 8.846 533 HA ASP 117 HA ASP 117 -6.456 -2.593 6.968 534 1HB ASP 117 HB1 ASP 117 -6.671 -2.308 9.495 535 2HB ASP 117 HB2 ASP 117 -6.145 -0.606 9.276 536 H ALA 118 HN ALA 118 -5.473 -1.833 5.037 537 HA ALA 118 HA ALA 118 -4.530 0.754 4.481 538 1HB ALA 118 HB2 ALA 118 -6.392 -1.090 2.850 539 2HB ALA 118 HB3 ALA 118 -5.313 0.207 2.183 540 3HB ALA 118 HB1 ALA 118 -4.604 -1.270 2.947 541 H ALA 119 HN ALA 119 -7.719 -0.288 5.460 542 HA ALA 119 HA ALA 119 -9.201 1.961 4.370 543 1HB ALA 119 HB1 ALA 119 -9.179 -0.506 6.220 544 2HB ALA 119 HB2 ALA 119 -10.480 0.728 6.575 545 3HB ALA 119 HB3 ALA 119 -10.390 -0.111 4.975 546 H SER 120 HN SER 120 -6.838 1.590 6.885 547 HA SER 120 HA SER 120 -7.956 3.920 8.310 548 1HB SER 120 HB1 SER 120 -5.588 2.100 8.926 549 2HB SER 120 HB2 SER 120 -6.078 3.544 9.896 550 HG SER 120 HG1 SER 120 -7.811 1.360 9.274 551 H LEU 121 HN LEU 121 -5.826 3.058 5.737 552 HA LEU 121 HA LEU 121 -4.306 5.607 6.020 553 1HB LEU 121 HB1 LEU 121 -3.795 3.283 4.089 554 2HB LEU 121 HB2 LEU 121 -2.782 4.666 4.329 555 HG LEU 121 HG LEU 121 -1.633 3.077 5.616 556 1HD1 LEU 121 HD22 LEU 121 -3.665 4.205 7.622 557 2HD1 LEU 121 HD23 LEU 121 -2.086 3.403 8.042 558 3HD1 LEU 121 HD21 LEU 121 -2.149 4.989 7.129 559 1HD2 LEU 121 HD13 LEU 121 -4.385 1.919 6.096 560 2HD2 LEU 121 HD11 LEU 121 -2.849 1.099 5.596 561 3HD2 LEU 121 HD12 LEU 121 -3.101 1.594 7.324 562 H ILE 122 HN ILE 122 -6.840 4.310 4.910 563 HA ILE 122 HA ILE 122 -7.273 4.899 2.430 564 HB ILE 122 HB ILE 122 -9.069 4.137 4.193 565 1HG1 ILE 122 HG11 ILE 122 -10.795 4.523 2.255 566 2HG1 ILE 122 HG12 ILE 122 -9.256 4.864 1.340 567 1HG2 ILE 122 HG23 ILE 122 -9.627 6.327 5.112 568 2HG2 ILE 122 HG21 ILE 122 -10.106 6.897 3.449 569 3HG2 ILE 122 HG22 ILE 122 -11.032 5.588 4.223 570 1HD1 ILE 122 HD3 ILE 122 -8.387 2.665 2.429 571 2HD1 ILE 122 HD1 ILE 122 -10.214 2.287 2.349 572 3HD1 ILE 122 HD2 ILE 122 -9.297 2.717 0.898 573 H GLY 123 HN GLY 123 -7.894 6.481 1.065 574 1HA GLY 123 HA2 GLY 123 -8.085 8.548 0.234 575 2HA GLY 123 HA1 GLY 123 -8.153 9.185 1.909 576 H GLU 124 HN GLU 124 -5.343 7.255 1.405 577 HA GLU 124 HA GLU 124 -3.759 9.744 1.189 578 1HB GLU 124 HB1 GLU 124 -2.869 7.073 2.306 579 2HB GLU 124 HB2 GLU 124 -2.046 8.650 2.427 580 1HG GLU 124 HG1 GLU 124 -4.881 8.334 3.585 581 2HG GLU 124 HG2 GLU 124 -3.555 7.513 4.394 582 H GLU 125 HN GLU 125 -1.336 8.250 0.779 583 HA GLU 125 HA GLU 125 -1.765 6.896 -1.807 584 1HB GLU 125 HB1 GLU 125 0.173 9.188 -1.399 585 2HB GLU 125 HB2 GLU 125 0.358 7.947 -2.676 586 1HG GLU 125 HG1 GLU 125 -1.270 8.622 -4.015 587 2HG GLU 125 HG2 GLU 125 -2.356 9.059 -2.698 588 H LEU 126 HN LEU 126 -0.751 5.007 -1.691 589 HA LEU 126 HA LEU 126 1.287 4.782 0.305 590 1HB LEU 126 HB1 LEU 126 -0.397 2.680 -1.143 591 2HB LEU 126 HB2 LEU 126 1.039 2.199 -0.297 592 HG LEU 126 HG LEU 126 -0.044 3.688 1.714 593 1HD1 LEU 126 HD21 LEU 126 -2.441 2.908 0.147 594 2HD1 LEU 126 HD22 LEU 126 -2.418 3.176 1.941 595 3HD1 LEU 126 HD23 LEU 126 -1.912 4.506 0.856 596 1HD2 LEU 126 HD11 LEU 126 0.769 1.322 1.861 597 2HD2 LEU 126 HD12 LEU 126 -0.812 1.575 2.718 598 3HD2 LEU 126 HD13 LEU 126 -0.769 0.762 1.109 599 H GLN 127 HN GLN 127 2.994 2.942 -0.229 600 HA GLN 127 HA GLN 127 3.746 2.889 -2.992 601 1HB GLN 127 HB1 GLN 127 4.772 5.116 -2.143 602 2HB GLN 127 HB2 GLN 127 5.768 4.128 -1.053 603 1HG GLN 127 HG1 GLN 127 6.192 2.951 -3.624 604 2HG GLN 127 HG2 GLN 127 5.945 4.698 -4.014 605 1HE2 GLN 127 HE21 GLN 127 9.421 3.691 -2.220 606 2HE2 GLN 127 HE22 GLN 127 8.270 2.495 -2.729 607 H VAL 128 HN VAL 128 5.573 1.335 -3.280 608 HA VAL 128 HA VAL 128 5.952 -0.327 -0.852 609 HB VAL 128 HB VAL 128 5.599 -1.150 -3.751 610 1HG1 VAL 128 HG13 VAL 128 6.687 -2.814 -1.398 611 2HG1 VAL 128 HG11 VAL 128 6.134 -3.479 -2.983 612 3HG1 VAL 128 HG12 VAL 128 7.563 -2.405 -2.945 613 1HG2 VAL 128 HG23 VAL 128 3.536 -1.010 -2.334 614 2HG2 VAL 128 HG21 VAL 128 3.925 -2.669 -2.916 615 3HG2 VAL 128 HG22 VAL 128 4.275 -2.211 -1.196 616 H ASP 129 HN ASP 129 8.078 -1.080 -0.493 617 HA ASP 129 HA ASP 129 10.075 -0.186 -2.411 618 1HB ASP 129 HB1 ASP 129 9.555 1.339 -0.025 619 2HB ASP 129 HB2 ASP 129 10.963 0.320 0.401 620 H PHE 130 HN PHE 130 12.385 -0.957 -1.108 621 HA PHE 130 HA PHE 130 11.934 -3.788 -0.969 622 1HB PHE 130 HB1 PHE 130 14.470 -3.780 -0.354 623 2HB PHE 130 HB2 PHE 130 13.972 -3.361 -2.024 624 HD1 PHE 130 HD2 PHE 130 15.032 -1.951 1.275 625 HD2 PHE 130 HD1 PHE 130 14.235 -1.085 -2.843 626 HE1 PHE 130 HE2 PHE 130 16.099 0.233 1.519 627 HE2 PHE 130 HE1 PHE 130 15.313 1.093 -2.577 628 HZ PHE 130 HZ PHE 130 16.247 1.765 -0.404 629 H LEU 131 HN LEU 131 12.730 -5.079 0.941 630 HA LEU 131 HA LEU 131 11.661 -4.063 3.255 631 1HB LEU 131 HB1 LEU 131 13.172 -6.595 2.589 632 2HB LEU 131 HB2 LEU 131 12.840 -6.161 4.313 633 HG LEU 131 HG LEU 131 10.574 -6.213 2.292 634 1HD1 LEU 131 HD22 LEU 131 11.710 -8.367 2.075 635 2HD1 LEU 131 HD23 LEU 131 11.540 -8.640 3.847 636 3HD1 LEU 131 HD21 LEU 131 10.057 -8.492 2.822 637 1HD2 LEU 131 HD13 LEU 131 10.309 -5.132 4.591 638 2HD2 LEU 131 HD11 LEU 131 9.151 -6.467 4.176 639 3HD2 LEU 131 HD12 LEU 131 10.542 -6.764 5.296 640 H ASP 132 HN ASP 132 12.527 -2.669 4.167 641 HA ASP 132 HA ASP 132 14.041 -1.100 5.182 642 1HB ASP 132 HB1 ASP 132 14.621 -3.889 6.338 643 2HB ASP 132 HB2 ASP 132 14.955 -2.304 7.162 No H/Q in entry = 643 Start of MODEL 16 1 1H SER 55 HT3 SER 55 -13.384 8.150 3.366 2 2H SER 55 HT2 SER 55 -11.720 8.091 3.580 3 3H SER 55 HT1 SER 55 -12.422 9.446 2.813 4 HA SER 55 HA SER 55 -13.048 8.171 0.949 5 1HB SER 55 HB1 SER 55 -10.554 8.982 1.290 6 2HB SER 55 HB2 SER 55 -10.193 7.247 1.593 7 HG SER 55 HG1 SER 55 -11.133 8.543 -0.726 8 H ASN 56 HN ASN 56 -12.140 5.985 -0.196 9 HA ASN 56 HA ASN 56 -12.169 3.742 1.645 10 1HB ASN 56 HB1 ASN 56 -14.622 4.297 0.965 11 2HB ASN 56 HB2 ASN 56 -14.142 3.611 -0.650 12 1HD2 ASN 56 HD21 ASN 56 -13.484 0.333 1.069 13 2HD2 ASN 56 HD22 ASN 56 -12.742 1.387 -0.098 14 H THR 57 HN THR 57 -10.352 5.289 -0.160 15 HA THR 57 HA THR 57 -9.577 3.059 -1.901 16 HB THR 57 HB THR 57 -9.287 4.450 -3.860 17 HG1 THR 57 HG1 THR 57 -10.160 6.486 -2.081 18 1HG2 THR 57 HG22 THR 57 -11.688 3.596 -3.476 19 2HG2 THR 57 HG23 THR 57 -12.074 5.209 -2.753 20 3HG2 THR 57 HG21 THR 57 -11.564 5.094 -4.479 21 H ILE 58 HN ILE 58 -7.295 3.151 -2.414 22 HA ILE 58 HA ILE 58 -5.878 5.431 -1.331 23 HB ILE 58 HB ILE 58 -4.509 2.834 -0.715 24 1HG1 ILE 58 HG11 ILE 58 -5.584 2.916 1.653 25 2HG1 ILE 58 HG12 ILE 58 -6.961 3.676 0.858 26 1HG2 ILE 58 HG23 ILE 58 -4.686 5.502 0.802 27 2HG2 ILE 58 HG21 ILE 58 -3.713 4.080 1.277 28 3HG2 ILE 58 HG22 ILE 58 -3.339 4.933 -0.271 29 1HD1 ILE 58 HD1 ILE 58 -5.658 0.941 0.157 30 2HD1 ILE 58 HD2 ILE 58 -7.221 1.190 1.028 31 3HD1 ILE 58 HD3 ILE 58 -7.079 1.639 -0.710 32 H ARG 59 HN ARG 59 -3.694 5.636 -2.406 33 HA ARG 59 HA ARG 59 -3.865 4.249 -4.988 34 1HB ARG 59 HB1 ARG 59 -2.465 6.788 -4.040 35 2HB ARG 59 HB2 ARG 59 -2.261 6.071 -5.659 36 1HG ARG 59 HG1 ARG 59 -4.128 6.988 -6.418 37 2HG ARG 59 HG2 ARG 59 -5.099 6.237 -5.240 38 1HD ARG 59 HD1 ARG 59 -5.568 8.547 -4.851 39 2HD ARG 59 HD2 ARG 59 -4.524 7.998 -3.484 40 HE ARG 59 HE ARG 59 -3.458 10.046 -4.356 41 1HH1 ARG 59 HH22 ARG 59 -4.919 8.676 -6.966 42 2HH1 ARG 59 HH21 ARG 59 -4.031 9.653 -8.089 43 1HH2 ARG 59 HH12 ARG 59 -1.745 10.884 -5.692 44 2HH2 ARG 59 HH11 ARG 59 -2.257 10.938 -7.357 45 H VAL 60 HN VAL 60 -1.908 3.380 -5.886 46 HA VAL 60 HA VAL 60 0.060 2.689 -3.759 47 HB VAL 60 HB VAL 60 -0.677 0.950 -6.146 48 1HG1 VAL 60 HG11 VAL 60 0.963 0.364 -3.610 49 2HG1 VAL 60 HG12 VAL 60 0.537 -0.817 -4.912 50 3HG1 VAL 60 HG13 VAL 60 1.614 0.569 -5.289 51 1HG2 VAL 60 HG21 VAL 60 -1.641 0.644 -3.259 52 2HG2 VAL 60 HG22 VAL 60 -2.647 0.986 -4.720 53 3HG2 VAL 60 HG23 VAL 60 -1.783 -0.591 -4.570 54 H PHE 61 HN PHE 61 2.186 3.030 -4.296 55 HA PHE 61 HA PHE 61 2.735 3.754 -7.118 56 1HB PHE 61 HB1 PHE 61 3.607 5.064 -4.518 57 2HB PHE 61 HB2 PHE 61 4.650 5.153 -6.027 58 HD1 PHE 61 HD2 PHE 61 1.172 5.726 -4.670 59 HD2 PHE 61 HD1 PHE 61 4.067 6.793 -7.634 60 HE1 PHE 61 HE2 PHE 61 -0.286 7.516 -5.457 61 HE2 PHE 61 HE1 PHE 61 2.641 8.663 -8.325 62 HZ PHE 61 HZ PHE 61 0.483 9.057 -7.202 63 H LEU 62 HN LEU 62 4.570 2.697 -8.030 64 HA LEU 62 HA LEU 62 5.401 0.493 -6.245 65 1HB LEU 62 HB1 LEU 62 5.709 0.960 -9.238 66 2HB LEU 62 HB2 LEU 62 6.451 -0.398 -8.388 67 HG LEU 62 HG LEU 62 3.856 -0.357 -9.505 68 1HD1 LEU 62 HD11 LEU 62 5.285 -2.338 -7.717 69 2HD1 LEU 62 HD12 LEU 62 3.671 -2.626 -8.458 70 3HD1 LEU 62 HD13 LEU 62 5.095 -2.316 -9.528 71 1HD2 LEU 62 HD21 LEU 62 3.545 -0.421 -6.475 72 2HD2 LEU 62 HD22 LEU 62 2.819 0.786 -7.666 73 3HD2 LEU 62 HD23 LEU 62 2.333 -0.923 -7.693 74 HA PRO 63 HA PRO 63 9.305 2.332 -6.075 75 1HB PRO 63 HB1 PRO 63 10.918 0.063 -5.969 76 2HB PRO 63 HB2 PRO 63 10.266 0.938 -4.615 77 1HG PRO 63 HG1 PRO 63 9.401 -1.650 -5.661 78 2HG PRO 63 HG2 PRO 63 9.055 -0.930 -4.115 79 1HD PRO 63 HD1 PRO 63 7.157 -1.189 -6.104 80 2HD PRO 63 HD2 PRO 63 7.073 0.000 -4.849 81 H ASN 64 HN ASN 64 8.168 0.288 -8.605 82 HA ASN 64 HA ASN 64 10.547 0.773 -10.251 83 1HB ASN 64 HB1 ASN 64 7.874 -0.540 -10.981 84 2HB ASN 64 HB2 ASN 64 9.358 -0.460 -12.013 85 1HD2 ASN 64 HD21 ASN 64 9.009 -3.505 -9.423 86 2HD2 ASN 64 HD22 ASN 64 7.701 -2.539 -10.017 87 H LYS 65 HN LYS 65 8.736 2.901 -9.007 88 HA LYS 65 HA LYS 65 8.077 4.874 -9.596 89 1HB LYS 65 HB1 LYS 65 8.671 4.394 -12.550 90 2HB LYS 65 HB2 LYS 65 8.689 5.936 -11.657 91 1HG LYS 65 HG1 LYS 65 10.666 3.575 -11.407 92 2HG LYS 65 HG2 LYS 65 10.985 5.126 -12.205 93 1HD LYS 65 HD1 LYS 65 10.538 4.580 -9.190 94 2HD LYS 65 HD2 LYS 65 12.049 5.060 -9.966 95 1HE LYS 65 HE1 LYS 65 9.504 6.816 -9.821 96 2HE LYS 65 HE2 LYS 65 10.946 6.960 -8.751 97 1HZ LYS 65 HZ2 LYS 65 10.951 7.242 -11.704 98 2HZ LYS 65 HZ3 LYS 65 11.016 8.507 -10.571 99 3HZ LYS 65 HZ1 LYS 65 12.292 7.389 -10.679 100 H GLN 66 HN GLN 66 6.661 2.137 -10.547 101 HA GLN 66 HA GLN 66 4.566 3.289 -11.930 102 1HB GLN 66 HB1 GLN 66 5.320 0.552 -11.084 103 2HB GLN 66 HB2 GLN 66 3.536 0.780 -11.084 104 1HG GLN 66 HG1 GLN 66 5.590 1.371 -13.332 105 2HG GLN 66 HG2 GLN 66 4.848 -0.237 -13.069 106 1HE2 GLN 66 HE21 GLN 66 2.644 2.701 -14.833 107 2HE2 GLN 66 HE22 GLN 66 4.343 2.728 -14.720 108 H ARG 67 HN ARG 67 2.188 2.416 -11.236 109 HA ARG 67 HA ARG 67 1.654 2.684 -8.500 110 1HB ARG 67 HB1 ARG 67 0.316 4.926 -8.883 111 2HB ARG 67 HB2 ARG 67 2.078 5.046 -8.664 112 1HG ARG 67 HG1 ARG 67 1.342 4.672 -11.511 113 2HG ARG 67 HG2 ARG 67 0.553 6.058 -10.813 114 1HD ARG 67 HD1 ARG 67 2.468 7.326 -10.683 115 2HD ARG 67 HD2 ARG 67 3.389 5.972 -9.934 116 HE ARG 67 HE ARG 67 4.432 5.954 -12.049 117 1HH1 ARG 67 HH22 ARG 67 1.135 6.815 -12.556 118 2HH1 ARG 67 HH21 ARG 67 1.291 6.778 -14.281 119 1HH2 ARG 67 HH12 ARG 67 4.528 5.413 -14.259 120 2HH2 ARG 67 HH11 ARG 67 3.219 5.961 -15.253 121 H THR 68 HN THR 68 -0.792 3.096 -8.201 122 HA THR 68 HA THR 68 -2.510 2.891 -10.358 123 HB THR 68 HB THR 68 -1.672 0.523 -10.627 124 HG1 THR 68 HG1 THR 68 -3.786 -0.367 -10.484 125 1HG2 THR 68 HG23 THR 68 -1.207 0.023 -8.201 126 2HG2 THR 68 HG21 THR 68 -2.992 0.019 -7.896 127 3HG2 THR 68 HG22 THR 68 -2.276 -1.196 -9.006 128 H VAL 69 HN VAL 69 -4.783 1.790 -9.194 129 HA VAL 69 HA VAL 69 -4.805 3.064 -6.513 130 HB VAL 69 HB VAL 69 -6.076 4.547 -7.792 131 1HG1 VAL 69 HG11 VAL 69 -6.454 3.220 -9.848 132 2HG1 VAL 69 HG12 VAL 69 -7.610 2.148 -8.954 133 3HG1 VAL 69 HG13 VAL 69 -7.998 3.892 -9.210 134 1HG2 VAL 69 HG21 VAL 69 -6.968 3.958 -5.596 135 2HG2 VAL 69 HG22 VAL 69 -8.187 4.554 -6.783 136 3HG2 VAL 69 HG23 VAL 69 -8.106 2.798 -6.405 137 H VAL 70 HN VAL 70 -5.902 1.926 -4.931 138 HA VAL 70 HA VAL 70 -6.998 -0.691 -5.760 139 HB VAL 70 HB VAL 70 -5.986 -1.716 -3.751 140 1HG1 VAL 70 HG12 VAL 70 -4.875 -2.048 -5.923 141 2HG1 VAL 70 HG13 VAL 70 -3.931 -0.536 -5.684 142 3HG1 VAL 70 HG11 VAL 70 -3.685 -1.949 -4.564 143 1HG2 VAL 70 HG22 VAL 70 -4.420 0.911 -3.511 144 2HG2 VAL 70 HG23 VAL 70 -5.584 0.215 -2.319 145 3HG2 VAL 70 HG21 VAL 70 -4.028 -0.632 -2.659 146 H ASN 71 HN ASN 71 -8.363 -1.622 -3.967 147 HA ASN 71 HA ASN 71 -9.656 0.584 -2.461 148 1HB ASN 71 HB1 ASN 71 -11.045 -1.821 -3.762 149 2HB ASN 71 HB2 ASN 71 -11.818 -0.575 -2.711 150 1HD2 ASN 71 HD21 ASN 71 -11.178 0.301 -6.652 151 2HD2 ASN 71 HD22 ASN 71 -10.736 -1.232 -5.987 152 H VAL 72 HN VAL 72 -10.869 -0.366 -0.525 153 HA VAL 72 HA VAL 72 -9.625 -2.879 0.361 154 HB VAL 72 HB VAL 72 -8.327 -0.868 1.264 155 1HG1 VAL 72 HG11 VAL 72 -10.380 0.581 1.601 156 2HG1 VAL 72 HG12 VAL 72 -10.772 -0.439 3.037 157 3HG1 VAL 72 HG13 VAL 72 -9.220 0.461 3.000 158 1HG2 VAL 72 HG23 VAL 72 -9.654 -2.717 3.312 159 2HG2 VAL 72 HG21 VAL 72 -8.118 -3.029 2.356 160 3HG2 VAL 72 HG22 VAL 72 -8.242 -1.710 3.592 161 H ARG 73 HN ARG 73 -10.876 -3.849 2.167 162 HA ARG 73 HA ARG 73 -13.482 -2.615 2.537 163 1HB ARG 73 HB1 ARG 73 -13.518 -4.656 0.796 164 2HB ARG 73 HB2 ARG 73 -13.265 -5.660 2.223 165 1HG ARG 73 HG1 ARG 73 -15.698 -5.340 1.434 166 2HG ARG 73 HG2 ARG 73 -15.442 -4.984 3.135 167 1HD ARG 73 HD1 ARG 73 -15.167 -2.692 1.111 168 2HD ARG 73 HD2 ARG 73 -16.822 -3.340 1.422 169 HE ARG 73 HE ARG 73 -16.363 -2.929 3.926 170 1HH1 ARG 73 HH22 ARG 73 -15.605 -0.884 1.214 171 2HH1 ARG 73 HH21 ARG 73 -15.742 0.575 2.143 172 1HH2 ARG 73 HH12 ARG 73 -16.191 -1.090 5.216 173 2HH2 ARG 73 HH11 ARG 73 -16.109 0.457 4.423 174 H ASN 74 HN ASN 74 -14.583 -3.879 4.451 175 HA ASN 74 HA ASN 74 -12.607 -3.819 6.543 176 1HB ASN 74 HB1 ASN 74 -14.695 -4.736 7.943 177 2HB ASN 74 HB2 ASN 74 -14.443 -3.015 7.567 178 1HD2 ASN 74 HD21 ASN 74 -17.326 -5.207 5.464 179 2HD2 ASN 74 HD22 ASN 74 -15.941 -6.014 6.123 180 H GLY 75 HN GLY 75 -11.214 -5.489 6.665 181 1HA GLY 75 HA2 GLY 75 -11.244 -7.843 7.426 182 2HA GLY 75 HA1 GLY 75 -12.280 -8.154 5.980 183 H MET 76 HN MET 76 -10.705 -5.866 4.626 184 HA MET 76 HA MET 76 -8.791 -7.652 3.471 185 1HB MET 76 HB1 MET 76 -9.297 -4.688 2.908 186 2HB MET 76 HB2 MET 76 -8.149 -5.624 2.048 187 1HG MET 76 HG1 MET 76 -9.954 -7.384 1.451 188 2HG MET 76 HG2 MET 76 -11.129 -6.234 2.013 189 1HE MET 76 HE3 MET 76 -11.118 -7.374 -0.993 190 2HE MET 76 HE1 MET 76 -12.239 -6.070 -0.487 191 3HE MET 76 HE2 MET 76 -11.296 -5.899 -2.000 192 H SER 77 HN SER 77 -6.557 -6.936 3.066 193 HA SER 77 HA SER 77 -5.328 -5.819 5.576 194 1HB SER 77 HB1 SER 77 -4.038 -7.662 3.593 195 2HB SER 77 HB2 SER 77 -3.412 -7.153 5.001 196 HG SER 77 HG1 SER 77 -5.033 -9.252 4.609 197 H LEU 78 HN LEU 78 -3.152 -4.898 5.037 198 HA LEU 78 HA LEU 78 -2.819 -3.565 2.763 199 1HB LEU 78 HB1 LEU 78 -1.107 -4.573 4.970 200 2HB LEU 78 HB2 LEU 78 -0.185 -4.373 3.464 201 HG LEU 78 HG LEU 78 -0.114 -2.348 4.898 202 1HD1 LEU 78 HD23 LEU 78 -0.280 -2.515 2.149 203 2HD1 LEU 78 HD21 LEU 78 -1.769 -1.657 2.444 204 3HD1 LEU 78 HD22 LEU 78 -0.362 -0.838 3.090 205 1HD2 LEU 78 HD11 LEU 78 -3.050 -2.287 4.228 206 2HD2 LEU 78 HD12 LEU 78 -2.126 -1.802 5.724 207 3HD2 LEU 78 HD13 LEU 78 -2.066 -0.749 4.336 208 H HIS 79 HN HSP 79 -1.166 -6.495 3.265 209 HA HIS 79 HA HSP 79 -0.504 -7.129 0.925 210 1HB HIS 79 HB1 HSP 79 -0.781 -8.810 3.293 211 2HB HIS 79 HB2 HSP 79 -1.337 -9.761 1.964 212 HD1 HIS 79 HD1 HSP 79 0.875 -8.318 -0.071 213 HD2 HIS 79 HD2 HSP 79 1.705 -9.879 3.702 214 HE1 HIS 79 HE1 HSP 79 3.416 -8.507 0.243 215 HE2 HIS 79 HE2 HSP 79 3.798 -9.667 2.345 216 H ASP 80 HN ASP 80 -3.731 -8.270 2.170 217 HA ASP 80 HA ASP 80 -4.249 -9.498 -0.330 218 1HB ASP 80 HB1 ASP 80 -6.277 -8.614 1.853 219 2HB ASP 80 HB2 ASP 80 -6.573 -9.849 0.569 220 H CYS 81 HN CYS 81 -4.601 -6.278 0.991 221 HA CYS 81 HA CYS 81 -6.121 -5.380 -1.292 222 1HB CYS 81 HB1 CYS 81 -5.942 -4.074 0.950 223 2HB CYS 81 HB2 CYS 81 -4.280 -4.258 0.993 224 HG1 CYS 81 HG1 CYS 81 -6.544 -2.682 -1.053 225 H LEU 82 HN LEU 82 -2.709 -4.994 -0.263 226 HA LEU 82 HA LEU 82 -1.926 -4.538 -2.942 227 1HB LEU 82 HB1 LEU 82 -0.917 -4.046 -0.411 228 2HB LEU 82 HB2 LEU 82 0.253 -5.220 -1.153 229 HG LEU 82 HG LEU 82 -1.173 -2.757 -2.334 230 1HD1 LEU 82 HD12 LEU 82 -0.648 -2.082 -0.082 231 2HD1 LEU 82 HD13 LEU 82 1.117 -2.327 -0.408 232 3HD1 LEU 82 HD11 LEU 82 0.184 -1.076 -1.332 233 1HD2 LEU 82 HD22 LEU 82 1.358 -4.107 -2.966 234 2HD2 LEU 82 HD23 LEU 82 -0.017 -3.538 -4.013 235 3HD2 LEU 82 HD21 LEU 82 1.217 -2.332 -3.317 236 H MET 83 HN MET 83 -3.047 -6.542 -3.030 237 HA MET 83 HA MET 83 -1.258 -8.690 -3.980 238 1HB MET 83 HB1 MET 83 -2.611 -9.626 -2.264 239 2HB MET 83 HB2 MET 83 -3.980 -8.547 -2.620 240 1HG MET 83 HG1 MET 83 -4.816 -9.918 -4.326 241 2HG MET 83 HG2 MET 83 -3.213 -10.558 -4.717 242 1HE MET 83 HE3 MET 83 -5.939 -10.297 -1.846 243 2HE MET 83 HE1 MET 83 -6.587 -11.405 -3.095 244 3HE MET 83 HE2 MET 83 -6.208 -12.028 -1.456 245 H LYS 84 HN LYS 84 -4.529 -7.341 -4.663 246 HA LYS 84 HA LYS 84 -4.888 -7.806 -7.227 247 1HB LYS 84 HB1 LYS 84 -4.869 -5.119 -5.638 248 2HB LYS 84 HB2 LYS 84 -5.399 -5.137 -7.390 249 1HG LYS 84 HG1 LYS 84 -7.393 -5.335 -6.441 250 2HG LYS 84 HG2 LYS 84 -6.929 -7.091 -6.377 251 1HD LYS 84 HD1 LYS 84 -6.039 -6.574 -3.998 252 2HD LYS 84 HD2 LYS 84 -6.863 -5.015 -4.119 253 1HE LYS 84 HE1 LYS 84 -9.067 -6.180 -4.364 254 2HE LYS 84 HE2 LYS 84 -8.227 -7.784 -4.427 255 1HZ LYS 84 HZ2 LYS 84 -7.304 -7.264 -2.224 256 2HZ LYS 84 HZ3 LYS 84 -8.295 -5.880 -2.164 257 3HZ LYS 84 HZ1 LYS 84 -9.000 -7.422 -2.262 258 H ALA 85 HN ALA 85 -3.176 -5.052 -6.192 259 HA ALA 85 HA ALA 85 -2.456 -4.364 -8.723 260 1HB ALA 85 HB1 ALA 85 -2.527 -2.783 -6.594 261 2HB ALA 85 HB2 ALA 85 -0.828 -3.370 -6.244 262 3HB ALA 85 HB3 ALA 85 -1.135 -2.436 -7.713 263 H LEU 86 HN LEU 86 -0.977 -6.704 -6.921 264 HA LEU 86 HA LEU 86 1.669 -6.404 -8.257 265 1HB LEU 86 HB1 LEU 86 0.584 -8.360 -6.086 266 2HB LEU 86 HB2 LEU 86 2.279 -8.184 -6.546 267 HG LEU 86 HG LEU 86 1.230 -7.178 -4.373 268 1HD1 LEU 86 HD23 LEU 86 3.523 -6.175 -5.750 269 2HD1 LEU 86 HD21 LEU 86 2.346 -4.824 -6.134 270 3HD1 LEU 86 HD22 LEU 86 2.800 -5.137 -4.448 271 1HD2 LEU 86 HD12 LEU 86 -0.719 -6.233 -5.334 272 2HD2 LEU 86 HD13 LEU 86 0.155 -5.374 -4.066 273 3HD2 LEU 86 HD11 LEU 86 0.339 -4.784 -5.733 274 H LYS 87 HN LYS 87 -0.854 -8.794 -7.416 275 HA LYS 87 HA LYS 87 -0.083 -10.734 -9.029 276 1HB LYS 87 HB1 LYS 87 -2.406 -10.231 -7.601 277 2HB LYS 87 HB2 LYS 87 -3.058 -9.778 -9.162 278 1HG LYS 87 HG1 LYS 87 -1.583 -12.445 -8.680 279 2HG LYS 87 HG2 LYS 87 -3.146 -12.168 -7.932 280 1HD LYS 87 HD1 LYS 87 -4.277 -12.566 -9.937 281 2HD LYS 87 HD2 LYS 87 -3.226 -11.440 -10.819 282 1HE LYS 87 HE1 LYS 87 -2.473 -14.358 -10.146 283 2HE LYS 87 HE2 LYS 87 -3.102 -13.764 -11.735 284 1HZ LYS 87 HZ3 LYS 87 -1.151 -12.083 -11.466 285 2HZ LYS 87 HZ1 LYS 87 -0.515 -13.283 -10.458 286 3HZ LYS 87 HZ2 LYS 87 -0.901 -13.658 -12.073 287 H VAL 88 HN VAL 88 -2.156 -8.066 -10.004 288 HA VAL 88 HA VAL 88 -2.432 -8.709 -12.640 289 HB VAL 88 HB VAL 88 -3.620 -6.815 -11.408 290 1HG1 VAL 88 HG12 VAL 88 -1.412 -5.733 -10.630 291 2HG1 VAL 88 HG13 VAL 88 -1.286 -5.059 -12.309 292 3HG1 VAL 88 HG11 VAL 88 -2.683 -4.594 -11.383 293 1HG2 VAL 88 HG22 VAL 88 -3.842 -6.955 -13.908 294 2HG2 VAL 88 HG23 VAL 88 -3.813 -5.243 -13.275 295 3HG2 VAL 88 HG21 VAL 88 -2.358 -5.886 -14.053 296 H ARG 89 HN ARG 89 0.352 -7.129 -11.058 297 HA ARG 89 HA ARG 89 1.723 -6.596 -13.530 298 1HB ARG 89 HB1 ARG 89 2.310 -6.554 -10.518 299 2HB ARG 89 HB2 ARG 89 3.589 -6.319 -11.634 300 1HG ARG 89 HG1 ARG 89 1.399 -4.650 -12.439 301 2HG ARG 89 HG2 ARG 89 1.077 -4.785 -10.797 302 1HD ARG 89 HD1 ARG 89 2.878 -3.841 -9.828 303 2HD ARG 89 HD2 ARG 89 3.927 -4.039 -11.273 304 HE ARG 89 HE ARG 89 2.666 -2.273 -12.474 305 1HH1 ARG 89 HH22 ARG 89 0.954 -3.075 -9.564 306 2HH1 ARG 89 HH21 ARG 89 0.077 -1.592 -9.554 307 1HH2 ARG 89 HH12 ARG 89 1.668 -0.213 -12.377 308 2HH2 ARG 89 HH11 ARG 89 0.417 -0.005 -11.191 309 H GLY 90 HN GLY 90 1.952 -8.809 -10.846 310 1HA GLY 90 HA2 GLY 90 2.601 -11.124 -11.088 311 2HA GLY 90 HA1 GLY 90 3.637 -10.675 -12.484 312 H LEU 91 HN LEU 91 3.144 -9.018 -9.317 313 HA LEU 91 HA LEU 91 6.086 -9.056 -9.036 314 1HB LEU 91 HB1 LEU 91 3.894 -7.223 -7.915 315 2HB LEU 91 HB2 LEU 91 5.551 -7.195 -7.322 316 HG LEU 91 HG LEU 91 4.418 -6.046 -9.816 317 1HD1 LEU 91 HD21 LEU 91 5.407 -4.687 -8.013 318 2HD1 LEU 91 HD22 LEU 91 7.012 -5.458 -8.318 319 3HD1 LEU 91 HD23 LEU 91 6.228 -4.460 -9.606 320 1HD2 LEU 91 HD12 LEU 91 7.116 -7.497 -9.999 321 2HD2 LEU 91 HD13 LEU 91 5.615 -7.824 -10.974 322 3HD2 LEU 91 HD11 LEU 91 6.489 -6.270 -11.167 323 H GLN 92 HN GLN 92 6.875 -9.071 -6.734 324 HA GLN 92 HA GLN 92 5.138 -10.785 -5.041 325 1HB GLN 92 HB1 GLN 92 8.134 -10.413 -4.773 326 2HB GLN 92 HB2 GLN 92 7.104 -11.638 -4.012 327 1HG GLN 92 HG1 GLN 92 7.554 -11.357 -7.094 328 2HG GLN 92 HG2 GLN 92 8.649 -12.242 -6.079 329 1HE2 GLN 92 HE21 GLN 92 4.790 -13.837 -6.344 330 2HE2 GLN 92 HE22 GLN 92 4.986 -12.127 -6.471 331 HA PRO 93 HA PRO 93 5.469 -7.025 -2.798 332 1HB PRO 93 HB1 PRO 93 3.291 -7.327 -1.228 333 2HB PRO 93 HB2 PRO 93 3.167 -6.809 -2.893 334 1HG PRO 93 HG1 PRO 93 2.523 -9.490 -1.789 335 2HG PRO 93 HG2 PRO 93 1.769 -8.621 -3.098 336 1HD PRO 93 HD1 PRO 93 3.585 -10.684 -3.436 337 2HD PRO 93 HD2 PRO 93 3.364 -9.422 -4.630 338 H GLU 94 HN GLU 94 5.422 -10.357 -1.729 339 HA GLU 94 HA GLU 94 5.464 -9.840 1.027 340 1HB GLU 94 HB1 GLU 94 6.641 -12.270 -0.438 341 2HB GLU 94 HB2 GLU 94 6.325 -12.179 1.298 342 1HG GLU 94 HG1 GLU 94 4.431 -13.337 0.601 343 2HG GLU 94 HG2 GLU 94 3.813 -11.640 0.683 344 H CYS 95 HN CYS 95 7.903 -9.445 -1.415 345 HA CYS 95 HA CYS 95 10.058 -9.666 0.577 346 1HB CYS 95 HB1 CYS 95 10.063 -9.282 -2.460 347 2HB CYS 95 HB2 CYS 95 11.520 -9.324 -1.442 348 HG1 CYS 95 HG1 CYS 95 10.997 -11.717 -0.388 349 H CYS 96 HN CYS 96 7.825 -7.370 -0.139 350 HA CYS 96 HA CYS 96 9.830 -5.186 -0.208 351 1HB CYS 96 HB1 CYS 96 6.928 -5.255 -1.175 352 2HB CYS 96 HB2 CYS 96 8.019 -3.881 -1.263 353 HG1 CYS 96 HG1 CYS 96 8.144 -6.763 -2.846 354 H ALA 97 HN ALA 97 8.770 -3.109 0.671 355 HA ALA 97 HA ALA 97 7.116 -3.733 3.031 356 1HB ALA 97 HB3 ALA 97 9.313 -1.610 2.963 357 2HB ALA 97 HB1 ALA 97 8.005 -1.661 4.138 358 3HB ALA 97 HB2 ALA 97 9.095 -3.048 4.159 359 H VAL 98 HN VAL 98 5.260 -2.571 3.023 360 HA VAL 98 HA VAL 98 4.990 -0.521 0.951 361 HB VAL 98 HB VAL 98 3.240 -2.146 0.831 362 1HG1 VAL 98 HG13 VAL 98 3.463 -2.157 3.788 363 2HG1 VAL 98 HG11 VAL 98 1.822 -2.260 3.167 364 3HG1 VAL 98 HG12 VAL 98 3.105 -3.474 2.604 365 1HG2 VAL 98 HG21 VAL 98 2.504 0.278 0.757 366 2HG2 VAL 98 HG22 VAL 98 1.247 -0.939 1.191 367 3HG2 VAL 98 HG23 VAL 98 1.944 0.039 2.491 368 H PHE 99 HN PHE 99 3.988 1.492 1.509 369 HA PHE 99 HA PHE 99 4.319 2.303 4.314 370 1HB PHE 99 HB1 PHE 99 5.773 3.552 1.890 371 2HB PHE 99 HB2 PHE 99 5.380 4.506 3.214 372 HD1 PHE 99 HD1 PHE 99 6.964 1.358 1.908 373 HD2 PHE 99 HD2 PHE 99 6.973 3.881 5.393 374 HE1 PHE 99 HE1 PHE 99 9.236 0.686 2.447 375 HE2 PHE 99 HE2 PHE 99 9.199 3.184 5.874 376 HZ PHE 99 HZ PHE 99 10.475 2.059 4.079 377 H ARG 100 HN ARG 100 3.366 4.430 4.654 378 HA ARG 100 HA ARG 100 1.416 5.369 2.564 379 1HB ARG 100 HB1 ARG 100 -0.013 5.328 4.046 380 2HB ARG 100 HB2 ARG 100 1.206 5.246 5.346 381 1HG ARG 100 HG1 ARG 100 1.852 7.622 4.996 382 2HG ARG 100 HG2 ARG 100 0.318 7.789 4.051 383 1HD ARG 100 HD1 ARG 100 -0.619 6.624 6.331 384 2HD ARG 100 HD2 ARG 100 0.974 7.022 6.968 385 HE ARG 100 HE ARG 100 -1.201 8.976 5.883 386 1HH1 ARG 100 HH22 ARG 100 2.208 8.754 6.615 387 2HH1 ARG 100 HH21 ARG 100 2.365 10.451 6.895 388 1HH2 ARG 100 HH12 ARG 100 -1.054 11.140 6.487 389 2HH2 ARG 100 HH11 ARG 100 0.518 11.833 6.805 390 H LEU 101 HN LEU 101 1.893 7.342 1.703 391 HA LEU 101 HA LEU 101 4.704 7.995 1.941 392 1HB LEU 101 HB1 LEU 101 2.376 9.078 0.224 393 2HB LEU 101 HB2 LEU 101 3.977 9.815 0.164 394 HG LEU 101 HG LEU 101 3.772 6.798 -0.236 395 1HD1 LEU 101 HD22 LEU 101 3.015 8.794 -2.391 396 2HD1 LEU 101 HD23 LEU 101 3.392 7.036 -2.625 397 3HD1 LEU 101 HD21 LEU 101 1.983 7.531 -1.621 398 1HD2 LEU 101 HD12 LEU 101 5.977 8.037 -0.034 399 2HD2 LEU 101 HD13 LEU 101 5.752 6.947 -1.421 400 3HD2 LEU 101 HD11 LEU 101 5.606 8.742 -1.667 401 H LEU 102 HN LEU 102 5.204 10.494 1.918 402 HA LEU 102 HA LEU 102 4.242 11.460 4.390 403 1HB LEU 102 HB1 LEU 102 5.666 13.518 3.479 404 2HB LEU 102 HB2 LEU 102 6.346 12.105 4.344 405 HG LEU 102 HG LEU 102 6.925 11.011 2.214 406 1HD1 LEU 102 HD21 LEU 102 5.100 11.961 0.776 407 2HD1 LEU 102 HD22 LEU 102 5.841 13.565 0.879 408 3HD1 LEU 102 HD23 LEU 102 6.751 12.208 0.060 409 1HD2 LEU 102 HD11 LEU 102 8.516 12.604 3.330 410 2HD2 LEU 102 HD12 LEU 102 8.759 12.343 1.554 411 3HD2 LEU 102 HD13 LEU 102 7.982 13.861 2.151 412 H HIS 103 HN HSP 103 2.486 12.741 4.739 413 HA HIS 103 HA HSP 103 1.708 14.531 2.501 414 1HB HIS 103 HB1 HSP 103 -0.102 12.920 4.358 415 2HB HIS 103 HB2 HSP 103 -0.655 14.346 3.402 416 HD1 HIS 103 HD1 HSP 103 -1.952 11.641 2.873 417 HD2 HIS 103 HD2 HSP 103 1.281 13.198 0.664 418 HE1 HIS 103 HE1 HSP 103 -2.153 10.782 0.511 419 HE2 HIS 103 HE2 HSP 103 -0.238 11.753 -0.812 420 H GLU 104 HN GLU 104 3.618 14.796 4.796 421 HA GLU 104 HA GLU 104 2.609 17.224 5.971 422 1HB GLU 104 HB1 GLU 104 2.277 16.802 8.148 423 2HB GLU 104 HB2 GLU 104 1.144 15.812 7.225 424 1HG GLU 104 HG1 GLU 104 3.788 14.838 8.521 425 2HG GLU 104 HG2 GLU 104 2.127 14.578 9.119 426 H HIS 105 HN HSP 105 4.732 14.307 6.267 427 HA HIS 105 HA HSP 105 6.830 16.028 7.347 428 1HB HIS 105 HB1 HSP 105 6.165 13.614 8.194 429 2HB HIS 105 HB2 HSP 105 7.059 13.043 6.785 430 HD1 HIS 105 HD1 HSP 105 7.569 15.359 9.799 431 HD2 HIS 105 HD2 HSP 105 9.853 12.997 7.201 432 HE1 HIS 105 HE1 HSP 105 9.964 15.431 10.625 433 HE2 HIS 105 HE2 HSP 105 11.309 14.040 9.004 434 H LYS 106 HN LYS 106 9.160 15.467 6.437 435 HA LYS 106 HA LYS 106 9.012 15.052 3.516 436 1HB LYS 106 HB1 LYS 106 9.309 17.452 4.132 437 2HB LYS 106 HB2 LYS 106 10.667 17.005 5.194 438 1HG LYS 106 HG1 LYS 106 11.722 17.753 3.265 439 2HG LYS 106 HG2 LYS 106 11.828 16.026 3.082 440 1HD LYS 106 HD1 LYS 106 9.680 16.113 1.613 441 2HD LYS 106 HD2 LYS 106 9.788 17.887 1.683 442 1HE LYS 106 HE1 LYS 106 12.078 17.776 0.611 443 2HE LYS 106 HE2 LYS 106 11.926 15.972 0.530 444 1HZ LYS 106 HZ3 LYS 106 9.947 16.257 -0.792 445 2HZ LYS 106 HZ1 LYS 106 10.093 17.945 -0.717 446 3HZ LYS 106 HZ2 LYS 106 11.281 17.028 -1.511 447 H GLY 107 HN GLY 107 10.359 13.519 2.799 448 1HA GLY 107 HA2 GLY 107 12.170 12.220 2.661 449 2HA GLY 107 HA1 GLY 107 12.879 13.095 4.056 450 H LYS 108 HN LYS 108 9.695 11.353 4.062 451 HA LYS 108 HA LYS 108 10.784 9.106 5.510 452 1HB LYS 108 HB1 LYS 108 9.119 11.189 6.923 453 2HB LYS 108 HB2 LYS 108 9.266 9.478 7.424 454 1HG LYS 108 HG1 LYS 108 11.901 9.991 7.220 455 2HG LYS 108 HG2 LYS 108 11.367 11.650 7.532 456 1HD LYS 108 HD1 LYS 108 10.097 10.565 9.606 457 2HD LYS 108 HD2 LYS 108 10.896 9.039 9.164 458 1HE LYS 108 HE1 LYS 108 13.154 10.105 9.517 459 2HE LYS 108 HE2 LYS 108 12.342 11.665 9.944 460 1HZ LYS 108 HZ1 LYS 108 11.239 10.533 11.745 461 2HZ LYS 108 HZ2 LYS 108 12.002 9.072 11.347 462 3HZ LYS 108 HZ3 LYS 108 12.927 10.393 11.877 463 H LYS 109 HN LYS 109 9.406 7.425 5.161 464 HA LYS 109 HA LYS 109 6.678 8.076 4.284 465 1HB LYS 109 HB1 LYS 109 8.660 5.949 3.446 466 2HB LYS 109 HB2 LYS 109 7.346 5.361 3.616 467 1HG LYS 109 HG1 LYS 109 6.932 7.860 1.982 468 2HG LYS 109 HG2 LYS 109 8.573 7.364 1.686 469 1HD LYS 109 HD1 LYS 109 6.085 5.657 1.140 470 2HD LYS 109 HD2 LYS 109 7.071 6.402 -0.025 471 1HE LYS 109 HE1 LYS 109 8.411 4.415 1.848 472 2HE LYS 109 HE2 LYS 109 7.604 3.910 0.303 473 1HZ LYS 109 HZ2 LYS 109 8.998 5.653 -0.775 474 2HZ LYS 109 HZ3 LYS 109 9.890 5.749 0.682 475 3HZ LYS 109 HZ1 LYS 109 9.808 4.292 -0.224 476 H ALA 110 HN ALA 110 5.145 6.612 5.189 477 HA ALA 110 HA ALA 110 5.947 6.078 7.992 478 1HB ALA 110 HB3 ALA 110 3.093 6.389 7.031 479 2HB ALA 110 HB1 ALA 110 3.642 5.898 8.685 480 3HB ALA 110 HB2 ALA 110 4.011 7.551 8.072 481 H ARG 111 HN ARG 111 6.300 3.879 8.421 482 HA ARG 111 HA ARG 111 5.817 2.201 6.120 483 1HB ARG 111 HB1 ARG 111 8.037 2.461 7.358 484 2HB ARG 111 HB2 ARG 111 7.225 1.776 8.790 485 1HG ARG 111 HG1 ARG 111 6.916 0.095 6.348 486 2HG ARG 111 HG2 ARG 111 8.586 0.388 6.805 487 1HD ARG 111 HD1 ARG 111 7.610 -0.116 9.295 488 2HD ARG 111 HD2 ARG 111 6.402 -1.005 8.407 489 HE ARG 111 HE ARG 111 9.458 -1.459 8.177 490 1HH1 ARG 111 HH22 ARG 111 6.273 -2.418 7.033 491 2HH1 ARG 111 HH21 ARG 111 6.932 -3.671 6.037 492 1HH2 ARG 111 HH12 ARG 111 10.204 -3.459 7.349 493 2HH2 ARG 111 HH11 ARG 111 9.132 -4.317 6.286 494 H LEU 112 HN LEU 112 4.678 0.388 6.199 495 HA LEU 112 HA LEU 112 2.747 0.217 8.446 496 1HB LEU 112 HB1 LEU 112 2.340 -0.278 5.453 497 2HB LEU 112 HB2 LEU 112 1.094 -0.439 6.720 498 HG LEU 112 HG LEU 112 2.581 2.126 6.108 499 1HD1 LEU 112 HD11 LEU 112 -0.148 1.213 5.048 500 2HD1 LEU 112 HD12 LEU 112 0.539 2.883 4.896 501 3HD1 LEU 112 HD13 LEU 112 1.349 1.507 4.084 502 1HD2 LEU 112 HD21 LEU 112 1.664 2.085 8.353 503 2HD2 LEU 112 HD22 LEU 112 0.873 3.313 7.295 504 3HD2 LEU 112 HD23 LEU 112 0.014 1.774 7.669 505 H ASP 113 HN ASP 113 1.389 -1.923 7.736 506 HA ASP 113 HA ASP 113 3.431 -4.022 7.769 507 1HB ASP 113 HB1 ASP 113 2.208 -3.709 10.007 508 2HB ASP 113 HB2 ASP 113 0.701 -4.232 9.138 509 H TRP 114 HN TRP 114 3.028 -5.702 6.297 510 HA TRP 114 HA TRP 114 1.297 -5.485 4.590 511 1HB TRP 114 HB1 TRP 114 2.876 -7.904 5.704 512 2HB TRP 114 HB2 TRP 114 1.663 -8.359 4.509 513 HD1 TRP 114 HD1 TRP 114 5.129 -8.215 4.115 514 HE1 TRP 114 HE1 TRP 114 6.024 -6.751 2.176 515 HE3 TRP 114 HE3 TRP 114 0.846 -6.129 2.917 516 HZ2 TRP 114 HZ2 TRP 114 4.705 -5.283 -0.010 517 HZ3 TRP 114 HZ3 TRP 114 0.574 -4.753 0.863 518 HH2 TRP 114 HH2 TRP 114 2.410 -4.523 -0.602 519 H ASN 115 HN ASN 115 0.410 -6.460 7.688 520 HA ASN 115 HA ASN 115 -2.190 -7.332 6.581 521 1HB ASN 115 HB1 ASN 115 -0.629 -8.137 8.847 522 2HB ASN 115 HB2 ASN 115 -1.825 -7.097 9.565 523 1HD2 ASN 115 HD21 ASN 115 -4.644 -9.171 8.490 524 2HD2 ASN 115 HD22 ASN 115 -4.181 -7.511 8.676 525 H THR 116 HN THR 116 -0.909 -4.417 6.628 526 HA THR 116 HA THR 116 -2.116 -3.409 8.827 527 HB THR 116 HB THR 116 -0.160 -2.305 7.118 528 HG1 THR 116 HG1 THR 116 -0.868 -1.589 9.662 529 1HG2 THR 116 HG21 THR 116 -2.532 -0.557 8.225 530 2HG2 THR 116 HG22 THR 116 -0.868 0.073 8.266 531 3HG2 THR 116 HG23 THR 116 -1.539 -0.263 6.678 532 H ASP 117 HN ASP 117 -4.101 -2.279 9.100 533 HA ASP 117 HA ASP 117 -6.178 -2.585 7.238 534 1HB ASP 117 HB1 ASP 117 -5.994 -0.440 9.379 535 2HB ASP 117 HB2 ASP 117 -7.451 -1.290 8.681 536 H ALA 118 HN ALA 118 -5.294 -1.881 5.270 537 HA ALA 118 HA ALA 118 -4.462 0.667 4.500 538 1HB ALA 118 HB2 ALA 118 -6.323 -1.489 3.264 539 2HB ALA 118 HB3 ALA 118 -5.704 -0.054 2.321 540 3HB ALA 118 HB1 ALA 118 -4.571 -1.294 2.983 541 H ALA 119 HN ALA 119 -7.546 -0.288 5.811 542 HA ALA 119 HA ALA 119 -9.107 1.923 4.736 543 1HB ALA 119 HB1 ALA 119 -8.866 -0.325 6.924 544 2HB ALA 119 HB2 ALA 119 -10.339 0.778 6.937 545 3HB ALA 119 HB3 ALA 119 -9.994 -0.333 5.555 546 H SER 120 HN SER 120 -6.552 1.620 7.102 547 HA SER 120 HA SER 120 -7.564 3.988 8.537 548 1HB SER 120 HB1 SER 120 -5.027 2.346 8.978 549 2HB SER 120 HB2 SER 120 -5.631 3.692 10.012 550 HG SER 120 HG1 SER 120 -7.523 2.421 10.334 551 H LEU 121 HN LEU 121 -5.629 3.050 5.837 552 HA LEU 121 HA LEU 121 -4.087 5.599 5.925 553 1HB LEU 121 HB1 LEU 121 -3.732 3.205 4.043 554 2HB LEU 121 HB2 LEU 121 -2.690 4.575 4.172 555 HG LEU 121 HG LEU 121 -1.483 3.019 5.446 556 1HD1 LEU 121 HD23 LEU 121 -1.920 4.993 6.916 557 2HD1 LEU 121 HD21 LEU 121 -3.374 4.217 7.550 558 3HD1 LEU 121 HD22 LEU 121 -1.758 3.445 7.871 559 1HD2 LEU 121 HD11 LEU 121 -4.214 1.887 6.102 560 2HD2 LEU 121 HD12 LEU 121 -2.721 1.056 5.551 561 3HD2 LEU 121 HD13 LEU 121 -2.879 1.609 7.279 562 H ILE 122 HN ILE 122 -6.719 4.280 5.038 563 HA ILE 122 HA ILE 122 -7.274 4.840 2.565 564 HB ILE 122 HB ILE 122 -8.973 4.125 4.479 565 1HG1 ILE 122 HG11 ILE 122 -10.833 4.523 2.664 566 2HG1 ILE 122 HG12 ILE 122 -9.333 4.761 1.638 567 1HG2 ILE 122 HG23 ILE 122 -9.447 6.411 5.327 568 2HG2 ILE 122 HG21 ILE 122 -10.094 6.846 3.670 569 3HG2 ILE 122 HG22 ILE 122 -10.919 5.603 4.614 570 1HD1 ILE 122 HD2 ILE 122 -8.454 2.609 2.708 571 2HD1 ILE 122 HD3 ILE 122 -10.295 2.268 2.794 572 3HD1 ILE 122 HD1 ILE 122 -9.487 2.628 1.258 573 H GLY 123 HN GLY 123 -7.973 6.419 1.234 574 1HA GLY 123 HA2 GLY 123 -7.967 8.487 0.325 575 2HA GLY 123 HA1 GLY 123 -8.255 9.101 1.992 576 H GLU 124 HN GLU 124 -5.366 7.235 0.883 577 HA GLU 124 HA GLU 124 -3.774 9.709 1.159 578 1HB GLU 124 HB1 GLU 124 -2.997 6.954 2.212 579 2HB GLU 124 HB2 GLU 124 -2.040 8.443 2.309 580 1HG GLU 124 HG1 GLU 124 -4.836 8.358 3.579 581 2HG GLU 124 HG2 GLU 124 -3.527 7.486 4.348 582 H GLU 125 HN GLU 125 -1.369 8.502 0.641 583 HA GLU 125 HA GLU 125 -1.773 7.075 -1.909 584 1HB GLU 125 HB1 GLU 125 0.263 9.279 -1.441 585 2HB GLU 125 HB2 GLU 125 0.391 8.058 -2.743 586 1HG GLU 125 HG1 GLU 125 -1.162 8.787 -4.093 587 2HG GLU 125 HG2 GLU 125 -2.259 9.273 -2.783 588 H LEU 126 HN LEU 126 -0.801 5.163 -1.880 589 HA LEU 126 HA LEU 126 1.001 4.737 0.348 590 1HB LEU 126 HB1 LEU 126 -0.390 2.693 -1.482 591 2HB LEU 126 HB2 LEU 126 0.798 2.244 -0.275 592 HG LEU 126 HG LEU 126 -2.063 3.007 0.113 593 1HD1 LEU 126 HD21 LEU 126 -1.150 0.712 0.556 594 2HD1 LEU 126 HD22 LEU 126 -0.086 1.408 1.845 595 3HD1 LEU 126 HD23 LEU 126 -1.881 1.476 2.024 596 1HD2 LEU 126 HD12 LEU 126 0.035 3.856 2.197 597 2HD2 LEU 126 HD13 LEU 126 -1.130 4.959 1.270 598 3HD2 LEU 126 HD11 LEU 126 -1.728 3.775 2.455 599 H GLN 127 HN GLN 127 2.910 3.241 -0.080 600 HA GLN 127 HA GLN 127 3.746 3.201 -2.861 601 1HB GLN 127 HB1 GLN 127 4.654 5.410 -1.713 602 2HB GLN 127 HB2 GLN 127 5.709 4.332 -0.813 603 1HG GLN 127 HG1 GLN 127 5.951 3.554 -3.615 604 2HG GLN 127 HG2 GLN 127 5.805 5.373 -3.621 605 1HE2 GLN 127 HE21 GLN 127 9.286 3.808 -2.293 606 2HE2 GLN 127 HE22 GLN 127 8.010 2.775 -2.848 607 H VAL 128 HN VAL 128 5.631 1.702 -3.113 608 HA VAL 128 HA VAL 128 5.955 -0.007 -0.719 609 HB VAL 128 HB VAL 128 5.470 -0.813 -3.602 610 1HG1 VAL 128 HG11 VAL 128 6.572 -2.548 -1.304 611 2HG1 VAL 128 HG12 VAL 128 5.969 -3.157 -2.891 612 3HG1 VAL 128 HG13 VAL 128 7.433 -2.130 -2.856 613 1HG2 VAL 128 HG23 VAL 128 3.486 -0.609 -2.039 614 2HG2 VAL 128 HG21 VAL 128 3.763 -2.249 -2.727 615 3HG2 VAL 128 HG22 VAL 128 4.233 -1.887 -1.003 616 H ASP 129 HN ASP 129 8.049 -0.834 -0.402 617 HA ASP 129 HA ASP 129 10.082 0.047 -2.290 618 1HB ASP 129 HB1 ASP 129 9.425 1.559 0.117 619 2HB ASP 129 HB2 ASP 129 10.918 0.652 0.510 620 H PHE 130 HN PHE 130 12.363 -0.592 -0.853 621 HA PHE 130 HA PHE 130 12.013 -3.427 -0.480 622 1HB PHE 130 HB1 PHE 130 14.489 -3.306 0.206 623 2HB PHE 130 HB2 PHE 130 14.099 -2.900 -1.496 624 HD1 PHE 130 HD2 PHE 130 15.056 -1.511 1.820 625 HD2 PHE 130 HD1 PHE 130 14.201 -0.563 -2.269 626 HE1 PHE 130 HE2 PHE 130 15.997 0.724 2.132 627 HE2 PHE 130 HE1 PHE 130 15.134 1.672 -1.928 628 HZ PHE 130 HZ PHE 130 16.032 2.328 0.264 629 H LEU 131 HN LEU 131 12.534 -4.528 1.590 630 HA LEU 131 HA LEU 131 11.696 -2.846 3.802 631 1HB LEU 131 HB1 LEU 131 11.093 -5.023 4.874 632 2HB LEU 131 HB2 LEU 131 10.218 -4.669 3.394 633 HG LEU 131 HG LEU 131 11.426 -5.992 1.900 634 1HD1 LEU 131 HD21 LEU 131 13.058 -7.025 4.295 635 2HD1 LEU 131 HD22 LEU 131 13.031 -7.728 2.646 636 3HD1 LEU 131 HD23 LEU 131 13.697 -6.086 2.851 637 1HD2 LEU 131 HD12 LEU 131 9.468 -6.950 3.049 638 2HD2 LEU 131 HD13 LEU 131 10.709 -8.190 2.622 639 3HD2 LEU 131 HD11 LEU 131 10.546 -7.618 4.329 640 H ASP 132 HN ASP 132 12.704 -5.244 5.462 641 HA ASP 132 HA ASP 132 15.235 -3.798 6.023 642 1HB ASP 132 HB1 ASP 132 13.589 -5.510 7.955 643 2HB ASP 132 HB2 ASP 132 14.972 -4.393 8.340 No H/Q in entry = 643 Start of MODEL 17 1 1H SER 55 HT3 SER 55 -11.937 8.319 2.563 2 2H SER 55 HT2 SER 55 -12.238 9.593 1.462 3 3H SER 55 HT1 SER 55 -13.510 8.625 2.047 4 HA SER 55 HA SER 55 -13.003 7.976 -0.166 5 1HB SER 55 HB1 SER 55 -10.504 8.803 0.116 6 2HB SER 55 HB2 SER 55 -10.206 7.161 0.821 7 HG SER 55 HG1 SER 55 -9.838 7.153 -1.383 8 H ASN 56 HN ASN 56 -12.497 5.641 -0.862 9 HA ASN 56 HA ASN 56 -12.304 3.837 1.434 10 1HB ASN 56 HB1 ASN 56 -14.467 3.685 -0.686 11 2HB ASN 56 HB2 ASN 56 -13.691 2.153 -0.019 12 1HD2 ASN 56 HD21 ASN 56 -15.387 4.288 3.002 13 2HD2 ASN 56 HD22 ASN 56 -14.251 5.073 1.996 14 H THR 57 HN THR 57 -10.650 5.231 -0.780 15 HA THR 57 HA THR 57 -9.478 2.725 -1.852 16 HB THR 57 HB THR 57 -9.050 3.745 -3.970 17 HG1 THR 57 HG1 THR 57 -10.329 5.895 -4.101 18 1HG2 THR 57 HG22 THR 57 -11.475 2.864 -3.572 19 2HG2 THR 57 HG23 THR 57 -11.953 4.579 -3.330 20 3HG2 THR 57 HG21 THR 57 -11.254 4.048 -4.919 21 H ILE 58 HN ILE 58 -7.182 2.944 -2.295 22 HA ILE 58 HA ILE 58 -5.971 5.370 -1.205 23 HB ILE 58 HB ILE 58 -4.398 2.848 -0.739 24 1HG1 ILE 58 HG11 ILE 58 -5.390 2.780 1.665 25 2HG1 ILE 58 HG12 ILE 58 -6.826 3.497 0.945 26 1HG2 ILE 58 HG22 ILE 58 -4.710 5.467 0.841 27 2HG2 ILE 58 HG23 ILE 58 -3.681 4.087 1.324 28 3HG2 ILE 58 HG21 ILE 58 -3.320 4.954 -0.214 29 1HD1 ILE 58 HD1 ILE 58 -5.405 0.876 0.046 30 2HD1 ILE 58 HD2 ILE 58 -6.896 0.963 1.064 31 3HD1 ILE 58 HD3 ILE 58 -6.957 1.503 -0.646 32 H ARG 59 HN ARG 59 -3.671 5.651 -2.198 33 HA ARG 59 HA ARG 59 -3.758 4.373 -4.842 34 1HB ARG 59 HB1 ARG 59 -2.418 6.856 -3.699 35 2HB ARG 59 HB2 ARG 59 -1.978 6.154 -5.276 36 1HG ARG 59 HG1 ARG 59 -3.461 7.733 -5.915 37 2HG ARG 59 HG2 ARG 59 -4.475 6.289 -5.936 38 1HD ARG 59 HD1 ARG 59 -5.914 7.780 -4.845 39 2HD ARG 59 HD2 ARG 59 -5.044 7.147 -3.396 40 HE ARG 59 HE ARG 59 -4.122 9.645 -4.887 41 1HH1 ARG 59 HH22 ARG 59 -6.288 8.495 -2.485 42 2HH1 ARG 59 HH21 ARG 59 -6.481 10.072 -1.799 43 1HH2 ARG 59 HH12 ARG 59 -3.659 11.432 -3.360 44 2HH2 ARG 59 HH11 ARG 59 -5.049 11.778 -2.402 45 H VAL 60 HN VAL 60 -1.648 3.713 -5.704 46 HA VAL 60 HA VAL 60 0.229 2.939 -3.545 47 HB VAL 60 HB VAL 60 -0.481 1.096 -5.865 48 1HG1 VAL 60 HG12 VAL 60 1.014 0.593 -3.224 49 2HG1 VAL 60 HG13 VAL 60 0.636 -0.631 -4.498 50 3HG1 VAL 60 HG11 VAL 60 1.755 0.729 -4.871 51 1HG2 VAL 60 HG22 VAL 60 -1.611 0.934 -3.029 52 2HG2 VAL 60 HG23 VAL 60 -2.525 1.246 -4.556 53 3HG2 VAL 60 HG21 VAL 60 -1.713 -0.343 -4.305 54 H PHE 61 HN PHE 61 2.302 3.423 -4.073 55 HA PHE 61 HA PHE 61 2.864 3.916 -6.944 56 1HB PHE 61 HB1 PHE 61 3.805 5.301 -4.403 57 2HB PHE 61 HB2 PHE 61 4.807 5.336 -5.942 58 HD1 PHE 61 HD1 PHE 61 1.381 5.963 -4.480 59 HD2 PHE 61 HD2 PHE 61 4.179 6.965 -7.558 60 HE1 PHE 61 HE1 PHE 61 -0.054 7.799 -5.198 61 HE2 PHE 61 HE2 PHE 61 2.764 8.856 -8.209 62 HZ PHE 61 HZ PHE 61 0.657 9.295 -7.003 63 H LEU 62 HN LEU 62 4.685 2.772 -7.809 64 HA LEU 62 HA LEU 62 5.347 0.713 -5.922 65 1HB LEU 62 HB1 LEU 62 5.293 1.026 -8.953 66 2HB LEU 62 HB2 LEU 62 6.547 -0.075 -8.354 67 HG LEU 62 HG LEU 62 4.760 -1.368 -7.077 68 1HD1 LEU 62 HD12 LEU 62 3.012 0.307 -6.925 69 2HD1 LEU 62 HD13 LEU 62 2.814 0.289 -8.728 70 3HD1 LEU 62 HD11 LEU 62 2.443 -1.187 -7.739 71 1HD2 LEU 62 HD23 LEU 62 5.871 -2.181 -8.981 72 2HD2 LEU 62 HD21 LEU 62 4.203 -2.758 -8.781 73 3HD2 LEU 62 HD22 LEU 62 4.559 -1.485 -10.040 74 HA PRO 63 HA PRO 63 9.371 1.810 -5.489 75 1HB PRO 63 HB1 PRO 63 10.444 -0.823 -6.353 76 2HB PRO 63 HB2 PRO 63 10.617 -0.020 -4.814 77 1HG PRO 63 HG1 PRO 63 8.957 -2.189 -5.347 78 2HG PRO 63 HG2 PRO 63 8.693 -1.121 -4.022 79 1HD PRO 63 HD1 PRO 63 6.938 -1.378 -6.262 80 2HD PRO 63 HD2 PRO 63 6.767 -0.362 -4.983 81 H ASN 64 HN ASN 64 8.580 0.078 -8.540 82 HA ASN 64 HA ASN 64 10.868 1.294 -9.848 83 1HB ASN 64 HB1 ASN 64 9.948 0.302 -11.950 84 2HB ASN 64 HB2 ASN 64 10.428 -0.870 -10.680 85 1HD2 ASN 64 HD21 ASN 64 6.588 -0.900 -11.929 86 2HD2 ASN 64 HD22 ASN 64 7.828 0.028 -12.708 87 H LYS 65 HN LYS 65 8.735 2.925 -8.473 88 HA LYS 65 HA LYS 65 8.080 4.958 -8.792 89 1HB LYS 65 HB1 LYS 65 8.857 4.890 -11.750 90 2HB LYS 65 HB2 LYS 65 8.682 6.323 -10.704 91 1HG LYS 65 HG1 LYS 65 10.763 4.135 -10.129 92 2HG LYS 65 HG2 LYS 65 11.086 5.421 -11.299 93 1HD LYS 65 HD1 LYS 65 11.028 7.147 -9.623 94 2HD LYS 65 HD2 LYS 65 10.145 6.134 -8.461 95 1HE LYS 65 HE1 LYS 65 12.129 4.643 -8.166 96 2HE LYS 65 HE2 LYS 65 13.067 5.687 -9.315 97 1HZ LYS 65 HZ3 LYS 65 12.658 7.546 -7.849 98 2HZ LYS 65 HZ1 LYS 65 11.795 6.554 -6.775 99 3HZ LYS 65 HZ2 LYS 65 13.451 6.280 -7.037 100 H GLN 66 HN GLN 66 6.792 2.348 -10.341 101 HA GLN 66 HA GLN 66 4.822 3.692 -11.631 102 1HB GLN 66 HB1 GLN 66 5.454 0.870 -11.198 103 2HB GLN 66 HB2 GLN 66 3.760 1.039 -10.919 104 1HG GLN 66 HG1 GLN 66 4.946 2.380 -13.427 105 2HG GLN 66 HG2 GLN 66 5.028 0.605 -13.352 106 1HE2 GLN 66 HE21 GLN 66 1.300 2.458 -13.489 107 2HE2 GLN 66 HE22 GLN 66 2.722 3.377 -13.500 108 H ARG 67 HN ARG 67 2.285 2.758 -11.120 109 HA ARG 67 HA ARG 67 1.759 2.945 -8.377 110 1HB ARG 67 HB1 ARG 67 0.416 5.169 -8.665 111 2HB ARG 67 HB2 ARG 67 2.179 5.338 -8.573 112 1HG ARG 67 HG1 ARG 67 1.198 4.936 -11.364 113 2HG ARG 67 HG2 ARG 67 0.482 6.338 -10.581 114 1HD ARG 67 HD1 ARG 67 2.683 7.332 -10.107 115 2HD ARG 67 HD2 ARG 67 3.523 5.815 -10.612 116 HE ARG 67 HE ARG 67 1.789 7.374 -12.563 117 1HH1 ARG 67 HH22 ARG 67 5.056 6.645 -11.470 118 2HH1 ARG 67 HH21 ARG 67 5.738 7.652 -12.686 119 1HH2 ARG 67 HH12 ARG 67 2.783 7.895 -14.555 120 2HH2 ARG 67 HH11 ARG 67 4.468 8.281 -14.497 121 H THR 68 HN THR 68 -0.682 3.265 -8.043 122 HA THR 68 HA THR 68 -2.410 3.014 -10.218 123 HB THR 68 HB THR 68 -1.508 0.667 -10.424 124 HG1 THR 68 HG1 THR 68 -3.626 -0.286 -10.113 125 1HG2 THR 68 HG23 THR 68 -1.002 0.304 -7.958 126 2HG2 THR 68 HG21 THR 68 -2.786 0.170 -7.674 127 3HG2 THR 68 HG22 THR 68 -1.950 -1.017 -8.741 128 H VAL 69 HN VAL 69 -4.685 2.066 -9.122 129 HA VAL 69 HA VAL 69 -4.727 3.243 -6.400 130 HB VAL 69 HB VAL 69 -5.915 4.820 -7.671 131 1HG1 VAL 69 HG11 VAL 69 -6.308 3.561 -9.764 132 2HG1 VAL 69 HG12 VAL 69 -7.522 2.515 -8.916 133 3HG1 VAL 69 HG13 VAL 69 -7.833 4.277 -9.133 134 1HG2 VAL 69 HG23 VAL 69 -6.871 4.205 -5.501 135 2HG2 VAL 69 HG21 VAL 69 -8.046 4.871 -6.694 136 3HG2 VAL 69 HG22 VAL 69 -8.029 3.105 -6.361 137 H VAL 70 HN VAL 70 -5.978 2.107 -4.901 138 HA VAL 70 HA VAL 70 -6.997 -0.500 -5.877 139 HB VAL 70 HB VAL 70 -6.227 -1.545 -3.793 140 1HG1 VAL 70 HG11 VAL 70 -3.966 -0.327 -5.460 141 2HG1 VAL 70 HG12 VAL 70 -3.823 -1.719 -4.314 142 3HG1 VAL 70 HG13 VAL 70 -4.853 -1.857 -5.798 143 1HG2 VAL 70 HG23 VAL 70 -4.658 1.046 -3.319 144 2HG2 VAL 70 HG21 VAL 70 -6.027 0.401 -2.318 145 3HG2 VAL 70 HG22 VAL 70 -4.476 -0.507 -2.414 146 H ASN 71 HN ASN 71 -8.652 -1.391 -4.457 147 HA ASN 71 HA ASN 71 -10.102 0.763 -3.015 148 1HB ASN 71 HB1 ASN 71 -11.405 -1.617 -4.437 149 2HB ASN 71 HB2 ASN 71 -12.219 -0.228 -3.625 150 1HD2 ASN 71 HD21 ASN 71 -10.812 0.173 -7.477 151 2HD2 ASN 71 HD22 ASN 71 -10.540 -1.276 -6.573 152 H VAL 72 HN VAL 72 -10.892 0.117 -0.952 153 HA VAL 72 HA VAL 72 -9.861 -2.536 -0.175 154 HB VAL 72 HB VAL 72 -8.982 -0.353 1.000 155 1HG1 VAL 72 HG13 VAL 72 -11.344 0.487 1.557 156 2HG1 VAL 72 HG11 VAL 72 -11.477 -0.913 2.700 157 3HG1 VAL 72 HG12 VAL 72 -10.199 0.290 2.970 158 1HG2 VAL 72 HG23 VAL 72 -9.911 -2.809 2.592 159 2HG2 VAL 72 HG21 VAL 72 -8.316 -2.587 1.731 160 3HG2 VAL 72 HG22 VAL 72 -8.775 -1.575 3.160 161 H ARG 73 HN ARG 73 -11.206 -3.685 1.434 162 HA ARG 73 HA ARG 73 -13.878 -2.694 1.633 163 1HB ARG 73 HB1 ARG 73 -13.639 -4.533 -0.353 164 2HB ARG 73 HB2 ARG 73 -13.557 -5.680 0.982 165 1HG ARG 73 HG1 ARG 73 -15.872 -5.217 -0.134 166 2HG ARG 73 HG2 ARG 73 -15.868 -5.149 1.622 167 1HD ARG 73 HD1 ARG 73 -15.374 -2.582 -0.006 168 2HD ARG 73 HD2 ARG 73 -17.046 -3.236 0.114 169 HE ARG 73 HE ARG 73 -16.735 -3.221 2.678 170 1HH1 ARG 73 HH22 ARG 73 -15.100 -0.865 0.589 171 2HH1 ARG 73 HH21 ARG 73 -15.570 0.481 1.563 172 1HH2 ARG 73 HH12 ARG 73 -16.713 -1.516 4.203 173 2HH2 ARG 73 HH11 ARG 73 -16.396 0.099 3.663 174 H ASN 74 HN ASN 74 -14.888 -5.040 3.013 175 HA ASN 74 HA ASN 74 -13.365 -4.629 5.438 176 1HB ASN 74 HB1 ASN 74 -15.239 -6.373 6.273 177 2HB ASN 74 HB2 ASN 74 -15.440 -4.610 6.229 178 1HD2 ASN 74 HD21 ASN 74 -17.382 -6.980 3.410 179 2HD2 ASN 74 HD22 ASN 74 -16.035 -7.609 4.294 180 H GLY 75 HN GLY 75 -11.499 -5.745 5.480 181 1HA GLY 75 HA2 GLY 75 -10.519 -7.692 6.167 182 2HA GLY 75 HA1 GLY 75 -11.745 -8.680 5.323 183 H MET 76 HN MET 76 -9.562 -5.952 4.235 184 HA MET 76 HA MET 76 -8.707 -7.691 2.036 185 1HB MET 76 HB1 MET 76 -8.217 -4.716 2.576 186 2HB MET 76 HB2 MET 76 -7.534 -5.571 1.280 187 1HG MET 76 HG1 MET 76 -10.501 -5.144 2.166 188 2HG MET 76 HG2 MET 76 -9.680 -4.156 0.928 189 1HE MET 76 HE1 MET 76 -11.860 -7.058 1.450 190 2HE MET 76 HE2 MET 76 -11.832 -8.009 -0.065 191 3HE MET 76 HE3 MET 76 -10.566 -8.285 1.154 192 H SER 77 HN SER 77 -7.258 -5.461 4.443 193 HA SER 77 HA SER 77 -5.180 -5.533 5.442 194 1HB SER 77 HB1 SER 77 -4.608 -8.252 4.334 195 2HB SER 77 HB2 SER 77 -3.908 -7.494 5.645 196 HG SER 77 HG1 SER 77 -6.563 -8.497 5.476 197 H LEU 78 HN LEU 78 -3.295 -4.788 4.919 198 HA LEU 78 HA LEU 78 -2.683 -3.852 2.598 199 1HB LEU 78 HB1 LEU 78 -0.992 -4.738 4.901 200 2HB LEU 78 HB2 LEU 78 -0.091 -4.467 3.396 201 HG LEU 78 HG LEU 78 -0.128 -2.449 4.792 202 1HD1 LEU 78 HD22 LEU 78 -0.127 -2.660 2.053 203 2HD1 LEU 78 HD23 LEU 78 -1.714 -1.897 2.264 204 3HD1 LEU 78 HD21 LEU 78 -0.406 -0.972 2.906 205 1HD2 LEU 78 HD12 LEU 78 -3.029 -2.484 4.000 206 2HD2 LEU 78 HD13 LEU 78 -2.220 -2.079 5.539 207 3HD2 LEU 78 HD11 LEU 78 -2.088 -0.928 4.196 208 H HIS 79 HN HSP 79 -1.023 -6.851 3.572 209 HA HIS 79 HA HSP 79 0.076 -7.394 1.205 210 1HB HIS 79 HB1 HSP 79 -0.702 -9.085 3.571 211 2HB HIS 79 HB2 HSP 79 -0.765 -10.027 2.114 212 HD1 HIS 79 HD1 HSP 79 1.320 -10.634 4.221 213 HD2 HIS 79 HD2 HSP 79 2.255 -7.828 1.341 214 HE1 HIS 79 HE1 HSP 79 3.792 -9.970 4.190 215 HE2 HIS 79 HE2 HSP 79 4.253 -8.812 2.186 216 H ASP 80 HN ASP 80 -3.134 -8.791 2.223 217 HA ASP 80 HA ASP 80 -3.437 -9.977 -0.331 218 1HB ASP 80 HB1 ASP 80 -5.394 -9.534 1.960 219 2HB ASP 80 HB2 ASP 80 -5.821 -10.399 0.433 220 H CYS 81 HN CYS 81 -4.148 -6.828 1.054 221 HA CYS 81 HA CYS 81 -6.001 -6.110 -0.973 222 1HB CYS 81 HB1 CYS 81 -5.468 -5.138 1.500 223 2HB CYS 81 HB2 CYS 81 -4.312 -4.156 0.674 224 HG1 CYS 81 HG1 CYS 81 -5.990 -3.414 -1.373 225 H LEU 82 HN LEU 82 -2.512 -5.881 -0.585 226 HA LEU 82 HA LEU 82 -2.224 -4.295 -3.011 227 1HB LEU 82 HB1 LEU 82 -0.297 -5.648 -1.007 228 2HB LEU 82 HB2 LEU 82 0.306 -4.817 -2.351 229 HG LEU 82 HG LEU 82 -0.980 -3.976 0.209 230 1HD1 LEU 82 HD12 LEU 82 1.082 -2.776 -1.780 231 2HD1 LEU 82 HD13 LEU 82 0.235 -1.605 -0.739 232 3HD1 LEU 82 HD11 LEU 82 1.203 -2.856 0.068 233 1HD2 LEU 82 HD22 LEU 82 -1.944 -2.529 -2.170 234 2HD2 LEU 82 HD23 LEU 82 -2.806 -3.306 -0.818 235 3HD2 LEU 82 HD21 LEU 82 -1.881 -1.817 -0.453 236 H MET 83 HN MET 83 -2.146 -7.515 -1.965 237 HA MET 83 HA MET 83 -0.849 -8.584 -4.221 238 1HB MET 83 HB1 MET 83 -1.531 -9.730 -1.954 239 2HB MET 83 HB2 MET 83 -3.209 -9.584 -2.409 240 1HG MET 83 HG1 MET 83 -3.385 -11.178 -3.823 241 2HG MET 83 HG2 MET 83 -1.743 -11.026 -4.468 242 1HE MET 83 HE1 MET 83 0.418 -12.144 -3.491 243 2HE MET 83 HE2 MET 83 0.262 -11.133 -2.015 244 3HE MET 83 HE3 MET 83 0.560 -12.896 -1.871 245 H LYS 84 HN LYS 84 -3.909 -7.209 -3.918 246 HA LYS 84 HA LYS 84 -4.811 -7.763 -6.469 247 1HB LYS 84 HB1 LYS 84 -4.796 -5.152 -4.804 248 2HB LYS 84 HB2 LYS 84 -5.481 -5.139 -6.462 249 1HG LYS 84 HG1 LYS 84 -7.268 -5.381 -4.931 250 2HG LYS 84 HG2 LYS 84 -7.051 -6.836 -5.952 251 1HD LYS 84 HD1 LYS 84 -6.246 -8.164 -4.143 252 2HD LYS 84 HD2 LYS 84 -5.797 -6.754 -3.185 253 1HE LYS 84 HE1 LYS 84 -8.142 -6.228 -2.652 254 2HE LYS 84 HE2 LYS 84 -8.736 -7.474 -3.825 255 1HZ LYS 84 HZ3 LYS 84 -6.869 -8.299 -1.726 256 2HZ LYS 84 HZ1 LYS 84 -8.501 -7.974 -1.307 257 3HZ LYS 84 HZ2 LYS 84 -8.117 -9.150 -2.479 258 H ALA 85 HN ALA 85 -3.176 -5.040 -5.488 259 HA ALA 85 HA ALA 85 -2.761 -4.072 -7.962 260 1HB ALA 85 HB2 ALA 85 -2.599 -2.963 -5.448 261 2HB ALA 85 HB3 ALA 85 -0.915 -3.639 -5.365 262 3HB ALA 85 HB1 ALA 85 -1.283 -2.296 -6.513 263 H LEU 86 HN LEU 86 -0.805 -6.378 -6.546 264 HA LEU 86 HA LEU 86 1.526 -5.833 -8.387 265 1HB LEU 86 HB1 LEU 86 1.218 -7.556 -5.879 266 2HB LEU 86 HB2 LEU 86 2.666 -7.227 -6.638 267 HG LEU 86 HG LEU 86 0.838 -4.948 -5.559 268 1HD1 LEU 86 HD23 LEU 86 1.113 -6.557 -3.832 269 2HD1 LEU 86 HD21 LEU 86 2.901 -6.230 -3.842 270 3HD1 LEU 86 HD22 LEU 86 1.702 -4.885 -3.506 271 1HD2 LEU 86 HD13 LEU 86 2.525 -4.152 -7.077 272 2HD2 LEU 86 HD11 LEU 86 2.785 -3.555 -5.403 273 3HD2 LEU 86 HD12 LEU 86 3.826 -4.899 -6.064 274 H LYS 87 HN LYS 87 -0.498 -8.339 -6.888 275 HA LYS 87 HA LYS 87 0.050 -10.381 -8.499 276 1HB LYS 87 HB1 LYS 87 -1.954 -9.832 -6.766 277 2HB LYS 87 HB2 LYS 87 -2.907 -9.462 -8.203 278 1HG LYS 87 HG1 LYS 87 -1.318 -12.083 -7.903 279 2HG LYS 87 HG2 LYS 87 -2.720 -11.785 -6.856 280 1HD LYS 87 HD1 LYS 87 -4.173 -11.461 -8.921 281 2HD LYS 87 HD2 LYS 87 -2.760 -11.806 -9.945 282 1HE LYS 87 HE1 LYS 87 -2.607 -14.125 -8.977 283 2HE LYS 87 HE2 LYS 87 -4.049 -13.772 -7.939 284 1HZ LYS 87 HZ3 LYS 87 -3.958 -13.672 -10.904 285 2HZ LYS 87 HZ1 LYS 87 -4.629 -14.912 -9.956 286 3HZ LYS 87 HZ2 LYS 87 -5.310 -13.356 -9.928 287 H VAL 88 HN VAL 88 -2.204 -7.777 -9.292 288 HA VAL 88 HA VAL 88 -2.755 -8.527 -11.878 289 HB VAL 88 HB VAL 88 -3.884 -6.662 -10.590 290 1HG1 VAL 88 HG11 VAL 88 -1.739 -5.514 -9.881 291 2HG1 VAL 88 HG12 VAL 88 -1.647 -4.844 -11.578 292 3HG1 VAL 88 HG13 VAL 88 -3.033 -4.419 -10.609 293 1HG2 VAL 88 HG23 VAL 88 -4.234 -6.776 -13.107 294 2HG2 VAL 88 HG21 VAL 88 -4.255 -5.076 -12.442 295 3HG2 VAL 88 HG22 VAL 88 -2.807 -5.636 -13.283 296 H ARG 89 HN ARG 89 0.201 -7.205 -10.595 297 HA ARG 89 HA ARG 89 1.349 -6.500 -13.201 298 1HB ARG 89 HB1 ARG 89 2.689 -6.745 -10.488 299 2HB ARG 89 HB2 ARG 89 3.255 -5.886 -11.880 300 1HG ARG 89 HG1 ARG 89 0.972 -4.579 -11.660 301 2HG ARG 89 HG2 ARG 89 0.862 -5.228 -10.117 302 1HD ARG 89 HD1 ARG 89 2.943 -4.371 -9.254 303 2HD ARG 89 HD2 ARG 89 3.439 -3.754 -10.866 304 HE ARG 89 HE ARG 89 1.014 -2.779 -9.240 305 1HH1 ARG 89 HH22 ARG 89 2.745 -2.630 -12.245 306 2HH1 ARG 89 HH21 ARG 89 2.108 -1.078 -12.690 307 1HH2 ARG 89 HH12 ARG 89 0.473 -0.549 -9.621 308 2HH2 ARG 89 HH11 ARG 89 0.724 0.060 -11.223 309 H GLY 90 HN GLY 90 1.686 -8.843 -10.583 310 1HA GLY 90 HA2 GLY 90 2.250 -11.132 -11.022 311 2HA GLY 90 HA1 GLY 90 3.289 -10.621 -12.392 312 H LEU 91 HN LEU 91 3.099 -8.737 -9.403 313 HA LEU 91 HA LEU 91 5.918 -9.414 -8.916 314 1HB LEU 91 HB1 LEU 91 4.136 -7.069 -8.040 315 2HB LEU 91 HB2 LEU 91 5.808 -7.313 -7.484 316 HG LEU 91 HG LEU 91 4.776 -6.469 -10.207 317 1HD1 LEU 91 HD21 LEU 91 5.589 -4.774 -8.593 318 2HD1 LEU 91 HD22 LEU 91 7.200 -5.586 -8.559 319 3HD1 LEU 91 HD23 LEU 91 6.590 -4.853 -10.096 320 1HD2 LEU 91 HD12 LEU 91 7.378 -8.007 -9.819 321 2HD2 LEU 91 HD13 LEU 91 5.993 -8.386 -10.913 322 3HD2 LEU 91 HD11 LEU 91 7.000 -6.924 -11.234 323 H GLN 92 HN GLN 92 6.465 -9.065 -6.461 324 HA GLN 92 HA GLN 92 4.494 -10.681 -4.936 325 1HB GLN 92 HB1 GLN 92 7.532 -10.625 -4.819 326 2HB GLN 92 HB2 GLN 92 6.562 -11.266 -3.526 327 1HG GLN 92 HG1 GLN 92 5.557 -12.489 -6.002 328 2HG GLN 92 HG2 GLN 92 7.274 -12.341 -6.262 329 1HE2 GLN 92 HE21 GLN 92 6.244 -15.052 -3.350 330 2HE2 GLN 92 HE22 GLN 92 5.091 -13.882 -3.716 331 HA PRO 93 HA PRO 93 4.874 -7.100 -2.452 332 1HB PRO 93 HB1 PRO 93 2.999 -7.846 -0.550 333 2HB PRO 93 HB2 PRO 93 2.625 -6.982 -2.001 334 1HG PRO 93 HG1 PRO 93 2.145 -9.836 -1.388 335 2HG PRO 93 HG2 PRO 93 1.300 -8.794 -2.517 336 1HD PRO 93 HD1 PRO 93 3.105 -10.758 -3.260 337 2HD PRO 93 HD2 PRO 93 2.766 -9.349 -4.245 338 H GLU 94 HN GLU 94 5.127 -10.511 -1.531 339 HA GLU 94 HA GLU 94 5.689 -10.031 1.190 340 1HB GLU 94 HB1 GLU 94 6.699 -12.429 -0.414 341 2HB GLU 94 HB2 GLU 94 6.439 -12.342 1.335 342 1HG GLU 94 HG1 GLU 94 4.453 -13.383 0.880 343 2HG GLU 94 HG2 GLU 94 3.874 -11.711 0.501 344 H CYS 95 HN CYS 95 7.556 -9.497 -1.657 345 HA CYS 95 HA CYS 95 10.092 -9.793 -0.213 346 1HB CYS 95 HB1 CYS 95 9.428 -9.180 -3.126 347 2HB CYS 95 HB2 CYS 95 11.075 -9.261 -2.457 348 HG1 CYS 95 HG1 CYS 95 10.442 -11.488 -3.779 349 H CYS 96 HN CYS 96 7.738 -7.479 -0.275 350 HA CYS 96 HA CYS 96 9.698 -5.278 -0.548 351 1HB CYS 96 HB1 CYS 96 6.708 -5.438 -1.278 352 2HB CYS 96 HB2 CYS 96 7.666 -3.983 -1.367 353 HG1 CYS 96 HG1 CYS 96 7.700 -6.687 -3.197 354 H ALA 97 HN ALA 97 8.583 -3.199 0.399 355 HA ALA 97 HA ALA 97 7.138 -3.862 2.875 356 1HB ALA 97 HB3 ALA 97 9.444 -1.835 2.691 357 2HB ALA 97 HB1 ALA 97 8.274 -1.922 4.020 358 3HB ALA 97 HB2 ALA 97 9.379 -3.328 3.746 359 H VAL 98 HN VAL 98 5.340 -2.565 3.064 360 HA VAL 98 HA VAL 98 5.036 -0.506 0.995 361 HB VAL 98 HB VAL 98 3.322 -2.162 0.871 362 1HG1 VAL 98 HG11 VAL 98 3.534 -2.198 3.812 363 2HG1 VAL 98 HG12 VAL 98 1.885 -2.168 3.231 364 3HG1 VAL 98 HG13 VAL 98 3.037 -3.464 2.603 365 1HG2 VAL 98 HG21 VAL 98 2.568 0.224 0.692 366 2HG2 VAL 98 HG22 VAL 98 1.304 -0.951 1.229 367 3HG2 VAL 98 HG23 VAL 98 2.037 0.092 2.447 368 H PHE 99 HN PHE 99 4.009 1.512 1.610 369 HA PHE 99 HA PHE 99 4.460 2.289 4.415 370 1HB PHE 99 HB1 PHE 99 5.909 3.422 1.947 371 2HB PHE 99 HB2 PHE 99 5.555 4.466 3.193 372 HD1 PHE 99 HD1 PHE 99 7.012 1.216 2.025 373 HD2 PHE 99 HD2 PHE 99 7.185 3.888 5.406 374 HE1 PHE 99 HE1 PHE 99 9.230 0.428 2.596 375 HE2 PHE 99 HE2 PHE 99 9.352 3.054 5.921 376 HZ PHE 99 HZ PHE 99 10.554 1.816 4.127 377 H ARG 100 HN ARG 100 3.628 4.413 4.825 378 HA ARG 100 HA ARG 100 1.645 5.465 2.863 379 1HB ARG 100 HB1 ARG 100 2.303 6.108 5.717 380 2HB ARG 100 HB2 ARG 100 1.547 7.290 4.687 381 1HG ARG 100 HG1 ARG 100 -0.427 6.133 4.233 382 2HG ARG 100 HG2 ARG 100 0.216 4.590 4.787 383 1HD ARG 100 HD1 ARG 100 -0.987 5.001 6.634 384 2HD ARG 100 HD2 ARG 100 0.530 5.763 7.161 385 HE ARG 100 HE ARG 100 -1.905 7.244 6.028 386 1HH1 ARG 100 HH22 ARG 100 1.444 7.478 6.987 387 2HH1 ARG 100 HH21 ARG 100 1.407 9.217 7.077 388 1HH2 ARG 100 HH12 ARG 100 -2.042 9.488 6.399 389 2HH2 ARG 100 HH11 ARG 100 -0.592 10.339 6.879 390 H LEU 101 HN LEU 101 2.201 7.407 1.768 391 HA LEU 101 HA LEU 101 5.020 7.951 1.761 392 1HB LEU 101 HB1 LEU 101 2.492 9.135 0.382 393 2HB LEU 101 HB2 LEU 101 4.061 9.861 0.099 394 HG LEU 101 HG LEU 101 3.568 6.859 -0.374 395 1HD1 LEU 101 HD21 LEU 101 1.842 7.924 -1.591 396 2HD1 LEU 101 HD22 LEU 101 3.015 9.044 -2.385 397 3HD1 LEU 101 HD23 LEU 101 3.095 7.258 -2.692 398 1HD2 LEU 101 HD12 LEU 101 5.750 8.763 -1.288 399 2HD2 LEU 101 HD13 LEU 101 5.854 7.249 -0.297 400 3HD2 LEU 101 HD11 LEU 101 5.423 7.171 -2.056 401 H LEU 102 HN LEU 102 5.457 10.579 1.618 402 HA LEU 102 HA LEU 102 4.991 11.489 4.159 403 1HB LEU 102 HB1 LEU 102 6.234 13.375 3.649 404 2HB LEU 102 HB2 LEU 102 7.061 11.912 3.152 405 HG LEU 102 HG LEU 102 5.645 14.141 1.531 406 1HD1 LEU 102 HD22 LEU 102 7.993 14.508 2.150 407 2HD1 LEU 102 HD23 LEU 102 8.458 12.990 1.307 408 3HD1 LEU 102 HD21 LEU 102 7.748 14.367 0.361 409 1HD2 LEU 102 HD13 LEU 102 6.595 11.454 0.369 410 2HD2 LEU 102 HD11 LEU 102 4.866 12.105 0.415 411 3HD2 LEU 102 HD12 LEU 102 6.113 12.899 -0.573 412 H HIS 103 HN HSP 103 2.609 11.481 4.345 413 HA HIS 103 HA HSP 103 1.498 13.966 3.182 414 1HB HIS 103 HB1 HSP 103 0.200 11.632 4.647 415 2HB HIS 103 HB2 HSP 103 -0.638 13.176 4.264 416 HD1 HIS 103 HD1 HSP 103 -2.137 11.211 2.977 417 HD2 HIS 103 HD2 HSP 103 1.423 12.570 1.173 418 HE1 HIS 103 HE1 HSP 103 -2.336 10.820 0.483 419 HE2 HIS 103 HE2 HSP 103 -0.203 11.646 -0.583 420 H GLU 104 HN GLU 104 3.261 12.757 5.850 421 HA GLU 104 HA GLU 104 2.787 15.235 7.326 422 1HB GLU 104 HB1 GLU 104 2.112 14.461 9.352 423 2HB GLU 104 HB2 GLU 104 0.879 14.155 8.127 424 1HG GLU 104 HG1 GLU 104 2.904 12.021 9.124 425 2HG GLU 104 HG2 GLU 104 1.259 12.280 9.777 426 H HIS 105 HN HSP 105 5.086 14.195 5.896 427 HA HIS 105 HA HSP 105 6.796 13.707 8.239 428 1HB HIS 105 HB1 HSP 105 7.658 12.430 5.650 429 2HB HIS 105 HB2 HSP 105 8.118 12.041 7.323 430 HD1 HIS 105 HD1 HSP 105 5.355 11.491 8.551 431 HD2 HIS 105 HD2 HSP 105 6.422 10.195 4.715 432 HE1 HIS 105 HE1 HSP 105 3.841 9.547 7.965 433 HE2 HIS 105 HE2 HSP 105 4.396 8.934 5.593 434 H LYS 106 HN LYS 106 9.162 14.295 7.553 435 HA LYS 106 HA LYS 106 8.974 16.728 6.105 436 1HB LYS 106 HB1 LYS 106 10.427 16.481 8.174 437 2HB LYS 106 HB2 LYS 106 11.383 15.252 7.322 438 1HG LYS 106 HG1 LYS 106 12.620 17.303 7.223 439 2HG LYS 106 HG2 LYS 106 12.041 17.006 5.595 440 1HD LYS 106 HD1 LYS 106 9.974 18.591 6.880 441 2HD LYS 106 HD2 LYS 106 11.506 19.285 7.424 442 1HE LYS 106 HE1 LYS 106 10.986 20.496 5.438 443 2HE LYS 106 HE2 LYS 106 12.255 19.315 4.919 444 1HZ LYS 106 HZ3 LYS 106 10.410 17.848 4.218 445 2HZ LYS 106 HZ1 LYS 106 9.310 19.084 4.593 446 3HZ LYS 106 HZ2 LYS 106 10.477 19.325 3.377 447 H GLY 107 HN GLY 107 10.234 13.495 5.670 448 1HA GLY 107 HA2 GLY 107 10.016 13.523 2.918 449 2HA GLY 107 HA1 GLY 107 11.706 14.003 3.322 450 H LYS 108 HN LYS 108 9.198 11.524 4.397 451 HA LYS 108 HA LYS 108 11.166 9.447 3.910 452 1HB LYS 108 HB1 LYS 108 9.922 9.948 6.640 453 2HB LYS 108 HB2 LYS 108 10.694 8.411 6.109 454 1HG LYS 108 HG1 LYS 108 12.725 10.074 5.490 455 2HG LYS 108 HG2 LYS 108 12.020 10.978 6.858 456 1HD LYS 108 HD1 LYS 108 12.148 8.667 8.126 457 2HD LYS 108 HD2 LYS 108 12.992 8.030 6.699 458 1HE LYS 108 HE1 LYS 108 13.945 10.453 8.386 459 2HE LYS 108 HE2 LYS 108 14.539 8.754 8.585 460 1HZ LYS 108 HZ2 LYS 108 14.712 10.375 6.106 461 2HZ LYS 108 HZ3 LYS 108 15.978 10.072 7.199 462 3HZ LYS 108 HZ1 LYS 108 15.283 8.794 6.317 463 H LYS 109 HN LYS 109 9.539 7.496 5.179 464 HA LYS 109 HA LYS 109 6.854 7.899 4.135 465 1HB LYS 109 HB1 LYS 109 8.886 5.782 3.382 466 2HB LYS 109 HB2 LYS 109 7.559 5.215 3.525 467 1HG LYS 109 HG1 LYS 109 7.242 7.686 1.835 468 2HG LYS 109 HG2 LYS 109 8.860 7.131 1.572 469 1HD LYS 109 HD1 LYS 109 6.365 5.433 1.047 470 2HD LYS 109 HD2 LYS 109 7.339 6.157 -0.127 471 1HE LYS 109 HE1 LYS 109 8.656 4.199 1.814 472 2HE LYS 109 HE2 LYS 109 7.882 3.666 0.265 473 1HZ LYS 109 HZ2 LYS 109 9.320 5.421 -0.795 474 2HZ LYS 109 HZ3 LYS 109 10.191 5.468 0.674 475 3HZ LYS 109 HZ1 LYS 109 10.087 4.026 -0.250 476 H ALA 110 HN ALA 110 5.448 6.523 5.245 477 HA ALA 110 HA ALA 110 6.451 6.056 7.998 478 1HB ALA 110 HB3 ALA 110 3.581 6.701 7.269 479 2HB ALA 110 HB1 ALA 110 4.136 5.996 8.849 480 3HB ALA 110 HB2 ALA 110 4.687 7.627 8.358 481 H ARG 111 HN ARG 111 6.565 3.795 8.521 482 HA ARG 111 HA ARG 111 5.940 2.205 6.190 483 1HB ARG 111 HB1 ARG 111 8.198 2.346 7.421 484 2HB ARG 111 HB2 ARG 111 7.359 1.602 8.809 485 1HG ARG 111 HG1 ARG 111 6.928 0.108 6.287 486 2HG ARG 111 HG2 ARG 111 8.612 0.267 6.716 487 1HD ARG 111 HD1 ARG 111 6.644 -0.349 8.953 488 2HD ARG 111 HD2 ARG 111 6.938 -1.693 7.718 489 HE ARG 111 HE ARG 111 8.996 -0.335 9.537 490 1HH1 ARG 111 HH22 ARG 111 8.712 -1.966 6.543 491 2HH1 ARG 111 HH21 ARG 111 10.407 -2.358 6.510 492 1HH2 ARG 111 HH12 ARG 111 10.958 -1.501 9.874 493 2HH2 ARG 111 HH11 ARG 111 11.699 -2.050 8.402 494 H LEU 112 HN LEU 112 4.653 0.483 6.295 495 HA LEU 112 HA LEU 112 2.711 0.583 8.534 496 1HB LEU 112 HB1 LEU 112 2.270 -0.349 5.658 497 2HB LEU 112 HB2 LEU 112 1.030 -0.058 6.928 498 HG LEU 112 HG LEU 112 2.768 2.098 5.751 499 1HD1 LEU 112 HD11 LEU 112 1.012 1.005 4.185 500 2HD1 LEU 112 HD12 LEU 112 -0.218 1.738 5.261 501 3HD1 LEU 112 HD13 LEU 112 0.976 2.795 4.391 502 1HD2 LEU 112 HD23 LEU 112 0.390 2.250 7.652 503 2HD2 LEU 112 HD21 LEU 112 2.088 2.660 8.023 504 3HD2 LEU 112 HD22 LEU 112 1.207 3.673 6.818 505 H ASP 113 HN ASP 113 1.271 -1.630 7.770 506 HA ASP 113 HA ASP 113 3.222 -3.746 8.316 507 1HB ASP 113 HB1 ASP 113 1.592 -3.256 10.247 508 2HB ASP 113 HB2 ASP 113 0.301 -3.934 9.151 509 H TRP 114 HN TRP 114 3.095 -5.490 6.874 510 HA TRP 114 HA TRP 114 1.583 -5.325 4.926 511 1HB TRP 114 HB1 TRP 114 3.387 -7.484 6.120 512 2HB TRP 114 HB2 TRP 114 2.256 -8.187 4.953 513 HD1 TRP 114 HD1 TRP 114 5.399 -8.006 4.261 514 HE1 TRP 114 HE1 TRP 114 6.195 -6.635 2.172 515 HE3 TRP 114 HE3 TRP 114 1.118 -6.158 3.394 516 HZ2 TRP 114 HZ2 TRP 114 4.579 -5.546 -0.055 517 HZ3 TRP 114 HZ3 TRP 114 0.531 -5.130 1.187 518 HH2 TRP 114 HH2 TRP 114 2.177 -5.139 -0.561 519 H ASN 115 HN ASN 115 0.345 -6.148 7.832 520 HA ASN 115 HA ASN 115 -2.030 -7.272 6.450 521 1HB ASN 115 HB1 ASN 115 -0.672 -8.077 8.805 522 2HB ASN 115 HB2 ASN 115 -1.889 -7.033 9.472 523 1HD2 ASN 115 HD21 ASN 115 -4.671 -9.098 8.329 524 2HD2 ASN 115 HD22 ASN 115 -4.213 -7.445 8.567 525 H THR 116 HN THR 116 -0.988 -4.353 6.550 526 HA THR 116 HA THR 116 -2.238 -3.382 8.691 527 HB THR 116 HB THR 116 -0.304 -2.242 7.038 528 HG1 THR 116 HG1 THR 116 -1.218 -1.237 9.423 529 1HG2 THR 116 HG23 THR 116 -2.660 -0.415 8.128 530 2HG2 THR 116 HG21 THR 116 -1.035 0.208 7.690 531 3HG2 THR 116 HG22 THR 116 -2.048 -0.395 6.391 532 H ASP 117 HN ASP 117 -4.214 -2.199 8.986 533 HA ASP 117 HA ASP 117 -6.372 -2.578 7.211 534 1HB ASP 117 HB1 ASP 117 -6.110 -0.415 9.309 535 2HB ASP 117 HB2 ASP 117 -7.592 -1.256 8.655 536 H ALA 118 HN ALA 118 -5.455 -1.912 5.183 537 HA ALA 118 HA ALA 118 -4.704 0.620 4.324 538 1HB ALA 118 HB3 ALA 118 -5.276 -1.776 3.130 539 2HB ALA 118 HB1 ALA 118 -6.873 -1.038 2.898 540 3HB ALA 118 HB2 ALA 118 -5.416 -0.227 2.188 541 H ALA 119 HN ALA 119 -7.828 -0.447 5.575 542 HA ALA 119 HA ALA 119 -9.443 1.688 4.485 543 1HB ALA 119 HB3 ALA 119 -9.160 -0.485 6.745 544 2HB ALA 119 HB1 ALA 119 -10.684 0.553 6.658 545 3HB ALA 119 HB2 ALA 119 -10.234 -0.583 5.325 546 H SER 120 HN SER 120 -6.937 1.549 6.944 547 HA SER 120 HA SER 120 -8.113 3.883 8.314 548 1HB SER 120 HB1 SER 120 -5.534 2.357 8.899 549 2HB SER 120 HB2 SER 120 -6.266 3.671 9.895 550 HG SER 120 HG1 SER 120 -8.112 2.292 10.090 551 H LEU 121 HN LEU 121 -5.992 2.988 5.730 552 HA LEU 121 HA LEU 121 -4.579 5.602 5.871 553 1HB LEU 121 HB1 LEU 121 -4.018 3.256 3.983 554 2HB LEU 121 HB2 LEU 121 -3.040 4.620 4.203 555 HG LEU 121 HG LEU 121 -1.854 3.141 5.582 556 1HD1 LEU 121 HD21 LEU 121 -2.994 4.987 7.124 557 2HD1 LEU 121 HD22 LEU 121 -3.987 3.652 7.712 558 3HD1 LEU 121 HD23 LEU 121 -2.190 3.525 7.895 559 1HD2 LEU 121 HD13 LEU 121 -4.556 1.805 5.901 560 2HD2 LEU 121 HD11 LEU 121 -2.994 1.100 5.346 561 3HD2 LEU 121 HD12 LEU 121 -3.280 1.470 7.121 562 H ILE 122 HN ILE 122 -7.124 4.130 4.858 563 HA ILE 122 HA ILE 122 -7.492 4.701 2.303 564 HB ILE 122 HB ILE 122 -9.202 3.811 4.214 565 1HG1 ILE 122 HG11 ILE 122 -10.870 3.337 2.538 566 2HG1 ILE 122 HG12 ILE 122 -10.044 4.451 1.403 567 1HG2 ILE 122 HG23 ILE 122 -10.561 6.304 3.111 568 2HG2 ILE 122 HG21 ILE 122 -11.372 4.999 3.965 569 3HG2 ILE 122 HG22 ILE 122 -10.121 5.979 4.861 570 1HD1 ILE 122 HD2 ILE 122 -8.430 2.183 2.617 571 2HD1 ILE 122 HD3 ILE 122 -9.761 1.742 1.489 572 3HD1 ILE 122 HD1 ILE 122 -8.581 2.750 0.826 573 H GLY 123 HN GLY 123 -8.142 6.238 1.032 574 1HA GLY 123 HA2 GLY 123 -8.203 8.332 0.171 575 2HA GLY 123 HA1 GLY 123 -8.551 8.908 1.838 576 H GLU 124 HN GLU 124 -5.569 7.107 0.956 577 HA GLU 124 HA GLU 124 -4.063 9.640 1.207 578 1HB GLU 124 HB1 GLU 124 -3.219 6.956 2.358 579 2HB GLU 124 HB2 GLU 124 -2.372 8.502 2.494 580 1HG GLU 124 HG1 GLU 124 -5.249 8.321 3.553 581 2HG GLU 124 HG2 GLU 124 -3.991 7.427 4.422 582 H GLU 125 HN GLU 125 -1.598 8.511 0.811 583 HA GLU 125 HA GLU 125 -1.845 7.101 -1.767 584 1HB GLU 125 HB1 GLU 125 0.096 9.382 -1.240 585 2HB GLU 125 HB2 GLU 125 0.212 8.253 -2.588 586 1HG GLU 125 HG1 GLU 125 -1.265 9.017 -3.929 587 2HG GLU 125 HG2 GLU 125 -2.492 9.199 -2.654 588 H LEU 126 HN LEU 126 -0.756 5.249 -1.719 589 HA LEU 126 HA LEU 126 1.073 4.958 0.517 590 1HB LEU 126 HB1 LEU 126 -0.237 2.784 -1.219 591 2HB LEU 126 HB2 LEU 126 0.938 2.454 0.050 592 HG LEU 126 HG LEU 126 -1.954 3.180 0.333 593 1HD1 LEU 126 HD22 LEU 126 -1.068 0.896 0.825 594 2HD1 LEU 126 HD23 LEU 126 -0.003 1.599 2.105 595 3HD1 LEU 126 HD21 LEU 126 -1.800 1.689 2.277 596 1HD2 LEU 126 HD13 LEU 126 0.134 4.113 2.389 597 2HD2 LEU 126 HD11 LEU 126 -1.076 5.153 1.463 598 3HD2 LEU 126 HD12 LEU 126 -1.627 3.976 2.684 599 H GLN 127 HN GLN 127 2.989 3.458 0.115 600 HA GLN 127 HA GLN 127 3.798 3.441 -2.703 601 1HB GLN 127 HB1 GLN 127 4.976 5.398 -1.240 602 2HB GLN 127 HB2 GLN 127 5.954 4.074 -0.679 603 1HG GLN 127 HG1 GLN 127 5.942 3.695 -3.521 604 2HG GLN 127 HG2 GLN 127 5.908 5.520 -3.319 605 1HE2 GLN 127 HE21 GLN 127 9.318 3.545 -2.307 606 2HE2 GLN 127 HE22 GLN 127 7.917 2.653 -2.813 607 H VAL 128 HN VAL 128 5.309 1.703 -3.128 608 HA VAL 128 HA VAL 128 5.696 -0.091 -0.798 609 HB VAL 128 HB VAL 128 5.125 -0.795 -3.685 610 1HG1 VAL 128 HG13 VAL 128 6.254 -2.604 -1.447 611 2HG1 VAL 128 HG11 VAL 128 5.633 -3.168 -3.047 612 3HG1 VAL 128 HG12 VAL 128 7.111 -2.158 -2.986 613 1HG2 VAL 128 HG22 VAL 128 3.174 -0.660 -2.138 614 2HG2 VAL 128 HG23 VAL 128 3.494 -2.311 -2.779 615 3HG2 VAL 128 HG21 VAL 128 3.959 -1.893 -1.069 616 H ASP 129 HN ASP 129 7.777 -0.818 -0.467 617 HA ASP 129 HA ASP 129 9.766 0.148 -2.402 618 1HB ASP 129 HB1 ASP 129 9.333 1.418 0.097 619 2HB ASP 129 HB2 ASP 129 10.592 0.207 0.503 620 H PHE 130 HN PHE 130 12.059 -0.841 -1.284 621 HA PHE 130 HA PHE 130 11.510 -3.674 -1.444 622 1HB PHE 130 HB1 PHE 130 14.145 -2.153 -1.015 623 2HB PHE 130 HB2 PHE 130 13.982 -3.906 -1.370 624 HD1 PHE 130 HD1 PHE 130 13.054 -4.660 -3.565 625 HD2 PHE 130 HD2 PHE 130 13.793 -0.513 -2.795 626 HE1 PHE 130 HE1 PHE 130 12.848 -4.163 -5.954 627 HE2 PHE 130 HE2 PHE 130 13.589 -0.040 -5.185 628 HZ PHE 130 HZ PHE 130 13.108 -1.858 -6.773 629 H LEU 131 HN LEU 131 12.219 -5.187 0.261 630 HA LEU 131 HA LEU 131 11.600 -4.395 2.742 631 1HB LEU 131 HB1 LEU 131 13.047 -6.829 1.652 632 2HB LEU 131 HB2 LEU 131 12.990 -6.564 3.438 633 HG LEU 131 HG LEU 131 10.448 -6.556 1.751 634 1HD1 LEU 131 HD23 LEU 131 11.640 -8.679 1.338 635 2HD1 LEU 131 HD21 LEU 131 11.677 -8.995 3.106 636 3HD1 LEU 131 HD22 LEU 131 10.083 -8.877 2.270 637 1HD2 LEU 131 HD13 LEU 131 10.339 -5.573 4.053 638 2HD2 LEU 131 HD11 LEU 131 9.321 -7.046 3.827 639 3HD2 LEU 131 HD12 LEU 131 10.892 -7.149 4.721 640 H ASP 132 HN ASP 132 12.576 -3.125 3.741 641 HA ASP 132 HA ASP 132 15.109 -2.222 3.680 642 1HB ASP 132 HB1 ASP 132 14.829 -1.245 6.079 643 2HB ASP 132 HB2 ASP 132 13.626 -0.742 4.825 No H/Q in entry = 643 Start of MODEL 18 1 1H SER 55 HT2 SER 55 -13.553 7.624 3.438 2 2H SER 55 HT1 SER 55 -11.885 7.680 3.599 3 3H SER 55 HT3 SER 55 -12.712 9.024 2.948 4 HA SER 55 HA SER 55 -13.319 7.821 1.033 5 1HB SER 55 HB1 SER 55 -10.883 8.822 1.328 6 2HB SER 55 HB2 SER 55 -10.364 7.113 1.510 7 HG SER 55 HG1 SER 55 -11.535 8.445 -0.689 8 H ASN 56 HN ASN 56 -12.302 5.795 -0.303 9 HA ASN 56 HA ASN 56 -12.067 3.444 1.414 10 1HB ASN 56 HB1 ASN 56 -14.520 3.659 0.851 11 2HB ASN 56 HB2 ASN 56 -14.057 3.430 -0.881 12 1HD2 ASN 56 HD21 ASN 56 -13.740 -0.123 -0.308 13 2HD2 ASN 56 HD22 ASN 56 -13.745 1.189 -1.436 14 H THR 57 HN THR 57 -10.460 5.343 -0.332 15 HA THR 57 HA THR 57 -9.540 3.331 -2.296 16 HB THR 57 HB THR 57 -9.170 5.065 -3.960 17 HG1 THR 57 HG1 THR 57 -10.352 6.731 -1.966 18 1HG2 THR 57 HG23 THR 57 -11.495 4.027 -3.924 19 2HG2 THR 57 HG21 THR 57 -12.048 5.406 -2.898 20 3HG2 THR 57 HG22 THR 57 -11.456 5.714 -4.572 21 H ILE 58 HN ILE 58 -7.329 3.111 -2.349 22 HA ILE 58 HA ILE 58 -5.787 5.343 -1.273 23 HB ILE 58 HB ILE 58 -4.567 2.696 -0.662 24 1HG1 ILE 58 HG11 ILE 58 -5.699 2.824 1.688 25 2HG1 ILE 58 HG12 ILE 58 -7.037 3.604 0.832 26 1HG2 ILE 58 HG21 ILE 58 -4.648 5.368 0.837 27 2HG2 ILE 58 HG22 ILE 58 -3.760 3.902 1.355 28 3HG2 ILE 58 HG23 ILE 58 -3.308 4.719 -0.192 29 1HD1 ILE 58 HD1 ILE 58 -5.760 0.866 0.104 30 2HD1 ILE 58 HD2 ILE 58 -7.268 1.084 1.065 31 3HD1 ILE 58 HD3 ILE 58 -7.228 1.581 -0.670 32 H ARG 59 HN ARG 59 -3.628 5.458 -2.333 33 HA ARG 59 HA ARG 59 -3.778 4.025 -4.886 34 1HB ARG 59 HB1 ARG 59 -2.220 6.489 -4.010 35 2HB ARG 59 HB2 ARG 59 -2.146 5.740 -5.623 36 1HG ARG 59 HG1 ARG 59 -3.935 6.860 -6.306 37 2HG ARG 59 HG2 ARG 59 -4.934 6.082 -5.140 38 1HD ARG 59 HD1 ARG 59 -3.938 7.926 -3.414 39 2HD ARG 59 HD2 ARG 59 -3.582 8.823 -4.941 40 HE ARG 59 HE ARG 59 -5.995 8.667 -5.545 41 1HH1 ARG 59 HH22 ARG 59 -5.397 7.447 -2.283 42 2HH1 ARG 59 HH21 ARG 59 -7.042 6.934 -2.103 43 1HH2 ARG 59 HH12 ARG 59 -8.173 8.679 -4.901 44 2HH2 ARG 59 HH11 ARG 59 -8.630 7.680 -3.558 45 H VAL 60 HN VAL 60 -1.848 3.073 -5.729 46 HA VAL 60 HA VAL 60 0.077 2.382 -3.570 47 HB VAL 60 HB VAL 60 -0.648 0.401 -5.722 48 1HG1 VAL 60 HG13 VAL 60 1.518 0.143 -4.494 49 2HG1 VAL 60 HG11 VAL 60 0.599 0.013 -2.955 50 3HG1 VAL 60 HG12 VAL 60 0.360 -1.227 -4.253 51 1HG2 VAL 60 HG22 VAL 60 -1.955 0.570 -2.953 52 2HG2 VAL 60 HG23 VAL 60 -2.770 0.750 -4.557 53 3HG2 VAL 60 HG21 VAL 60 -2.043 -0.831 -4.094 54 H PHE 61 HN PHE 61 1.929 3.338 -4.126 55 HA PHE 61 HA PHE 61 2.518 3.640 -6.985 56 1HB PHE 61 HB1 PHE 61 3.546 4.939 -4.447 57 2HB PHE 61 HB2 PHE 61 4.561 4.939 -6.001 58 HD1 PHE 61 HD1 PHE 61 1.009 5.529 -4.810 59 HD2 PHE 61 HD2 PHE 61 4.213 6.785 -7.358 60 HE1 PHE 61 HE1 PHE 61 -0.303 7.456 -5.534 61 HE2 PHE 61 HE2 PHE 61 2.930 8.776 -7.968 62 HZ PHE 61 HZ PHE 61 0.688 9.144 -7.012 63 H LEU 62 HN LEU 62 4.425 2.674 -7.939 64 HA LEU 62 HA LEU 62 5.023 0.247 -6.397 65 1HB LEU 62 HB1 LEU 62 5.424 1.029 -9.298 66 2HB LEU 62 HB2 LEU 62 6.220 -0.405 -8.603 67 HG LEU 62 HG LEU 62 3.989 -0.807 -9.810 68 1HD1 LEU 62 HD11 LEU 62 5.126 -2.541 -8.494 69 2HD1 LEU 62 HD12 LEU 62 4.369 -1.903 -6.973 70 3HD1 LEU 62 HD13 LEU 62 3.334 -2.599 -8.261 71 1HD2 LEU 62 HD23 LEU 62 2.693 1.022 -8.713 72 2HD2 LEU 62 HD21 LEU 62 1.951 -0.617 -8.530 73 3HD2 LEU 62 HD22 LEU 62 2.824 0.123 -7.140 74 HA PRO 63 HA PRO 63 9.089 1.642 -5.822 75 1HB PRO 63 HB1 PRO 63 10.116 -1.049 -6.501 76 2HB PRO 63 HB2 PRO 63 10.335 -0.118 -5.029 77 1HG PRO 63 HG1 PRO 63 8.659 -2.327 -5.375 78 2HG PRO 63 HG2 PRO 63 8.494 -1.208 -4.088 79 1HD PRO 63 HD1 PRO 63 6.632 -1.565 -6.237 80 2HD PRO 63 HD2 PRO 63 6.528 -0.399 -4.992 81 H ASN 64 HN ASN 64 7.895 0.053 -8.709 82 HA ASN 64 HA ASN 64 10.190 0.849 -10.282 83 1HB ASN 64 HB1 ASN 64 7.398 0.012 -11.251 84 2HB ASN 64 HB2 ASN 64 8.924 0.068 -12.220 85 1HD2 ASN 64 HD21 ASN 64 10.022 -3.124 -11.076 86 2HD2 ASN 64 HD22 ASN 64 10.286 -1.759 -12.107 87 H LYS 65 HN LYS 65 8.249 2.682 -8.566 88 HA LYS 65 HA LYS 65 7.818 4.804 -8.671 89 1HB LYS 65 HB1 LYS 65 8.636 4.990 -11.608 90 2HB LYS 65 HB2 LYS 65 8.574 6.303 -10.405 91 1HG LYS 65 HG1 LYS 65 10.430 3.886 -10.045 92 2HG LYS 65 HG2 LYS 65 10.892 5.231 -11.097 93 1HD LYS 65 HD1 LYS 65 10.991 6.794 -9.269 94 2HD LYS 65 HD2 LYS 65 9.983 5.779 -8.212 95 1HE LYS 65 HE1 LYS 65 11.790 4.075 -8.016 96 2HE LYS 65 HE2 LYS 65 12.854 5.086 -9.079 97 1HZ LYS 65 HZ2 LYS 65 11.656 5.915 -6.492 98 2HZ LYS 65 HZ3 LYS 65 13.269 5.460 -6.757 99 3HZ LYS 65 HZ1 LYS 65 12.652 6.865 -7.485 100 H GLN 66 HN GLN 66 6.302 2.470 -10.304 101 HA GLN 66 HA GLN 66 4.464 4.034 -11.607 102 1HB GLN 66 HB1 GLN 66 4.774 1.145 -11.191 103 2HB GLN 66 HB2 GLN 66 3.115 1.534 -11.171 104 1HG GLN 66 HG1 GLN 66 5.207 2.452 -13.288 105 2HG GLN 66 HG2 GLN 66 4.501 0.820 -13.335 106 1HE2 GLN 66 HE21 GLN 66 2.271 4.042 -14.541 107 2HE2 GLN 66 HE22 GLN 66 3.970 4.054 -14.404 108 H ARG 67 HN ARG 67 1.933 3.166 -11.148 109 HA ARG 67 HA ARG 67 1.267 3.732 -8.384 110 1HB ARG 67 HB1 ARG 67 -0.044 5.784 -9.053 111 2HB ARG 67 HB2 ARG 67 1.711 5.974 -8.858 112 1HG ARG 67 HG1 ARG 67 0.869 5.269 -11.644 113 2HG ARG 67 HG2 ARG 67 0.226 6.794 -11.056 114 1HD ARG 67 HD1 ARG 67 2.453 7.700 -10.582 115 2HD ARG 67 HD2 ARG 67 3.220 6.092 -10.826 116 HE ARG 67 HE ARG 67 1.727 7.455 -13.095 117 1HH1 ARG 67 HH22 ARG 67 4.851 6.730 -11.649 118 2HH1 ARG 67 HH21 ARG 67 5.689 7.469 -12.960 119 1HH2 ARG 67 HH12 ARG 67 2.884 7.647 -15.056 120 2HH2 ARG 67 HH11 ARG 67 4.589 7.908 -14.931 121 H THR 68 HN THR 68 -1.107 3.890 -8.158 122 HA THR 68 HA THR 68 -2.868 3.367 -10.197 123 HB THR 68 HB THR 68 -1.790 1.116 -10.485 124 HG1 THR 68 HG1 THR 68 -3.760 -0.044 -10.012 125 1HG2 THR 68 HG23 THR 68 -1.041 0.800 -8.071 126 2HG2 THR 68 HG21 THR 68 -2.774 0.519 -7.629 127 3HG2 THR 68 HG22 THR 68 -1.941 -0.602 -8.767 128 H VAL 69 HN VAL 69 -5.062 2.508 -9.121 129 HA VAL 69 HA VAL 69 -5.024 3.442 -6.310 130 HB VAL 69 HB VAL 69 -6.083 5.204 -7.387 131 1HG1 VAL 69 HG12 VAL 69 -6.549 4.212 -9.613 132 2HG1 VAL 69 HG13 VAL 69 -7.840 3.170 -8.883 133 3HG1 VAL 69 HG11 VAL 69 -8.024 4.964 -8.908 134 1HG2 VAL 69 HG21 VAL 69 -7.087 4.448 -5.307 135 2HG2 VAL 69 HG22 VAL 69 -8.206 5.319 -6.418 136 3HG2 VAL 69 HG23 VAL 69 -8.324 3.530 -6.269 137 H VAL 70 HN VAL 70 -6.195 2.219 -4.892 138 HA VAL 70 HA VAL 70 -7.606 -0.113 -6.043 139 HB VAL 70 HB VAL 70 -6.751 -1.520 -4.220 140 1HG1 VAL 70 HG11 VAL 70 -5.611 -1.620 -6.420 141 2HG1 VAL 70 HG12 VAL 70 -4.484 -0.318 -5.890 142 3HG1 VAL 70 HG13 VAL 70 -4.484 -1.920 -5.039 143 1HG2 VAL 70 HG22 VAL 70 -6.187 0.172 -2.527 144 2HG2 VAL 70 HG23 VAL 70 -4.777 -0.883 -2.903 145 3HG2 VAL 70 HG21 VAL 70 -4.842 0.788 -3.577 146 H ASN 71 HN ASN 71 -9.136 -1.050 -4.445 147 HA ASN 71 HA ASN 71 -10.143 1.073 -2.635 148 1HB ASN 71 HB1 ASN 71 -11.684 -1.056 -4.236 149 2HB ASN 71 HB2 ASN 71 -12.385 -0.146 -2.833 150 1HD2 ASN 71 HD21 ASN 71 -11.658 1.866 -6.390 151 2HD2 ASN 71 HD22 ASN 71 -10.823 0.386 -6.060 152 H VAL 72 HN VAL 72 -10.918 0.248 -0.565 153 HA VAL 72 HA VAL 72 -9.759 -2.396 -0.040 154 HB VAL 72 HB VAL 72 -8.936 -0.324 1.297 155 1HG1 VAL 72 HG13 VAL 72 -11.283 0.416 1.938 156 2HG1 VAL 72 HG11 VAL 72 -11.332 -1.023 3.042 157 3HG1 VAL 72 HG12 VAL 72 -10.072 0.207 3.292 158 1HG2 VAL 72 HG21 VAL 72 -9.647 -2.992 2.601 159 2HG2 VAL 72 HG22 VAL 72 -8.094 -2.509 1.780 160 3HG2 VAL 72 HG23 VAL 72 -8.624 -1.738 3.334 161 H ARG 73 HN ARG 73 -11.172 -3.189 2.181 162 HA ARG 73 HA ARG 73 -13.895 -2.728 1.900 163 1HB ARG 73 HB1 ARG 73 -13.247 -4.372 -0.163 164 2HB ARG 73 HB2 ARG 73 -13.261 -5.600 1.059 165 1HG ARG 73 HG1 ARG 73 -15.479 -5.448 -0.054 166 2HG ARG 73 HG2 ARG 73 -15.681 -4.949 1.642 167 1HD ARG 73 HD1 ARG 73 -16.913 -3.514 -0.048 168 2HD ARG 73 HD2 ARG 73 -15.796 -2.576 1.021 169 HE ARG 73 HE ARG 73 -14.107 -2.757 -0.940 170 1HH1 ARG 73 HH22 ARG 73 -17.282 -1.586 -0.666 171 2HH1 ARG 73 HH21 ARG 73 -17.106 -0.523 -2.021 172 1HH2 ARG 73 HH12 ARG 73 -14.070 -1.913 -3.105 173 2HH2 ARG 73 HH11 ARG 73 -15.239 -0.668 -3.376 174 H ASN 74 HN ASN 74 -14.392 -5.671 2.793 175 HA ASN 74 HA ASN 74 -13.659 -5.023 5.469 176 1HB ASN 74 HB1 ASN 74 -15.225 -6.915 6.103 177 2HB ASN 74 HB2 ASN 74 -16.006 -5.718 5.000 178 1HD2 ASN 74 HD21 ASN 74 -15.636 -9.481 3.567 179 2HD2 ASN 74 HD22 ASN 74 -15.095 -9.089 5.160 180 H GLY 75 HN GLY 75 -12.460 -6.834 3.049 181 1HA GLY 75 HA2 GLY 75 -10.544 -8.207 4.844 182 2HA GLY 75 HA1 GLY 75 -11.632 -9.145 3.757 183 H MET 76 HN MET 76 -9.254 -6.406 3.693 184 HA MET 76 HA MET 76 -8.260 -7.535 1.146 185 1HB MET 76 HB1 MET 76 -8.298 -4.625 2.129 186 2HB MET 76 HB2 MET 76 -7.621 -5.115 0.710 187 1HG MET 76 HG1 MET 76 -10.586 -5.344 1.691 188 2HG MET 76 HG2 MET 76 -9.999 -4.130 0.540 189 1HE MET 76 HE1 MET 76 -8.962 -4.633 -1.924 190 2HE MET 76 HE2 MET 76 -10.150 -5.538 -2.920 191 3HE MET 76 HE3 MET 76 -10.713 -4.224 -1.853 192 H SER 77 HN SER 77 -7.505 -5.565 4.081 193 HA SER 77 HA SER 77 -5.536 -5.654 5.346 194 1HB SER 77 HB1 SER 77 -4.287 -7.694 3.583 195 2HB SER 77 HB2 SER 77 -3.944 -7.278 5.224 196 HG SER 77 HG1 SER 77 -5.584 -9.128 4.375 197 H LEU 78 HN LEU 78 -3.056 -5.291 4.789 198 HA LEU 78 HA LEU 78 -2.662 -3.856 2.475 199 1HB LEU 78 HB1 LEU 78 -1.091 -4.868 4.823 200 2HB LEU 78 HB2 LEU 78 -0.117 -4.546 3.368 201 HG LEU 78 HG LEU 78 -0.149 -2.611 4.830 202 1HD1 LEU 78 HD21 LEU 78 -0.162 -2.735 2.060 203 2HD1 LEU 78 HD22 LEU 78 -1.693 -1.912 2.304 204 3HD1 LEU 78 HD23 LEU 78 -0.351 -1.066 3.008 205 1HD2 LEU 78 HD13 LEU 78 -3.058 -2.581 3.985 206 2HD2 LEU 78 HD11 LEU 78 -2.291 -2.141 5.558 207 3HD2 LEU 78 HD12 LEU 78 -2.117 -1.028 4.187 208 H HIS 79 HN HSP 79 -1.327 -6.977 3.511 209 HA HIS 79 HA HSP 79 -0.009 -7.492 1.181 210 1HB HIS 79 HB1 HSP 79 -1.110 -9.208 3.461 211 2HB HIS 79 HB2 HSP 79 -0.757 -10.100 1.983 212 HD1 HIS 79 HD1 HSP 79 0.764 -10.362 4.711 213 HD2 HIS 79 HD2 HSP 79 2.322 -8.124 1.596 214 HE1 HIS 79 HE1 HSP 79 3.303 -10.171 4.862 215 HE2 HIS 79 HE2 HSP 79 4.088 -9.197 2.791 216 H ASP 80 HN ASP 80 -3.360 -8.629 2.071 217 HA ASP 80 HA ASP 80 -3.569 -9.897 -0.470 218 1HB ASP 80 HB1 ASP 80 -6.091 -9.310 1.046 219 2HB ASP 80 HB2 ASP 80 -5.586 -10.764 0.174 220 H CYS 81 HN CYS 81 -4.357 -6.720 0.885 221 HA CYS 81 HA CYS 81 -5.925 -5.940 -1.298 222 1HB CYS 81 HB1 CYS 81 -5.540 -4.923 1.137 223 2HB CYS 81 HB2 CYS 81 -4.263 -4.044 0.441 224 HG1 CYS 81 HG1 CYS 81 -5.684 -3.229 -1.789 225 H LEU 82 HN LEU 82 -2.452 -5.794 -0.689 226 HA LEU 82 HA LEU 82 -1.968 -4.251 -3.107 227 1HB LEU 82 HB1 LEU 82 -0.216 -5.664 -0.990 228 2HB LEU 82 HB2 LEU 82 0.504 -4.874 -2.315 229 HG LEU 82 HG LEU 82 -0.645 -3.965 0.214 230 1HD1 LEU 82 HD12 LEU 82 0.875 -2.498 -2.108 231 2HD1 LEU 82 HD13 LEU 82 0.374 -1.585 -0.645 232 3HD1 LEU 82 HD11 LEU 82 1.567 -2.920 -0.477 233 1HD2 LEU 82 HD23 LEU 82 -1.992 -2.632 -2.048 234 2HD2 LEU 82 HD21 LEU 82 -2.629 -3.404 -0.553 235 3HD2 LEU 82 HD22 LEU 82 -1.747 -1.872 -0.383 236 H MET 83 HN MET 83 -1.825 -7.507 -1.957 237 HA MET 83 HA MET 83 -0.359 -8.756 -3.896 238 1HB MET 83 HB1 MET 83 -1.508 -9.985 -2.037 239 2HB MET 83 HB2 MET 83 -3.090 -9.379 -2.560 240 1HG MET 83 HG1 MET 83 -3.202 -10.695 -4.465 241 2HG MET 83 HG2 MET 83 -1.474 -11.132 -4.380 242 1HE MET 83 HE3 MET 83 -3.802 -13.353 -4.725 243 2HE MET 83 HE1 MET 83 -2.080 -13.817 -4.540 244 3HE MET 83 HE2 MET 83 -3.334 -14.608 -3.533 245 H LYS 84 HN LYS 84 -3.602 -7.392 -4.112 246 HA LYS 84 HA LYS 84 -4.218 -7.932 -6.788 247 1HB LYS 84 HB1 LYS 84 -4.453 -5.414 -5.007 248 2HB LYS 84 HB2 LYS 84 -4.971 -5.354 -6.729 249 1HG LYS 84 HG1 LYS 84 -6.923 -5.720 -5.601 250 2HG LYS 84 HG2 LYS 84 -6.434 -7.279 -6.346 251 1HD LYS 84 HD1 LYS 84 -5.750 -8.179 -4.186 252 2HD LYS 84 HD2 LYS 84 -5.827 -6.588 -3.428 253 1HE LYS 84 HE1 LYS 84 -8.334 -6.547 -3.693 254 2HE LYS 84 HE2 LYS 84 -8.268 -8.162 -4.509 255 1HZ LYS 84 HZ1 LYS 84 -6.821 -8.221 -2.090 256 2HZ LYS 84 HZ2 LYS 84 -8.395 -7.620 -1.810 257 3HZ LYS 84 HZ3 LYS 84 -8.172 -9.123 -2.569 258 H ALA 85 HN ALA 85 -2.806 -5.128 -5.503 259 HA ALA 85 HA ALA 85 -2.270 -3.977 -7.891 260 1HB ALA 85 HB3 ALA 85 -2.111 -2.969 -5.354 261 2HB ALA 85 HB1 ALA 85 -0.456 -3.734 -5.271 262 3HB ALA 85 HB2 ALA 85 -0.733 -2.360 -6.371 263 H LEU 86 HN LEU 86 -0.253 -6.261 -6.301 264 HA LEU 86 HA LEU 86 2.046 -5.729 -8.138 265 1HB LEU 86 HB1 LEU 86 1.589 -7.623 -5.772 266 2HB LEU 86 HB2 LEU 86 3.057 -7.392 -6.471 267 HG LEU 86 HG LEU 86 1.383 -5.002 -5.356 268 1HD1 LEU 86 HD21 LEU 86 1.266 -6.600 -3.722 269 2HD1 LEU 86 HD22 LEU 86 3.066 -6.654 -3.587 270 3HD1 LEU 86 HD23 LEU 86 2.112 -5.112 -3.246 271 1HD2 LEU 86 HD13 LEU 86 3.252 -4.424 -6.804 272 2HD2 LEU 86 HD11 LEU 86 3.224 -3.673 -5.180 273 3HD2 LEU 86 HD12 LEU 86 4.373 -5.063 -5.535 274 H LYS 87 HN LYS 87 -0.258 -8.097 -7.074 275 HA LYS 87 HA LYS 87 0.292 -10.077 -8.691 276 1HB LYS 87 HB1 LYS 87 -2.367 -8.913 -7.859 277 2HB LYS 87 HB2 LYS 87 -2.579 -9.340 -9.392 278 1HG LYS 87 HG1 LYS 87 -1.244 -11.512 -7.750 279 2HG LYS 87 HG2 LYS 87 -2.904 -11.130 -7.382 280 1HD LYS 87 HD1 LYS 87 -3.591 -12.400 -9.203 281 2HD LYS 87 HD2 LYS 87 -2.746 -11.265 -10.284 282 1HE LYS 87 HE1 LYS 87 -1.424 -13.710 -8.933 283 2HE LYS 87 HE2 LYS 87 -1.991 -13.618 -10.647 284 1HZ LYS 87 HZ3 LYS 87 -0.508 -11.562 -10.748 285 2HZ LYS 87 HZ1 LYS 87 0.216 -12.171 -9.347 286 3HZ LYS 87 HZ2 LYS 87 0.210 -13.105 -10.768 287 H VAL 88 HN VAL 88 -1.683 -7.389 -9.820 288 HA VAL 88 HA VAL 88 -1.754 -7.964 -12.483 289 HB VAL 88 HB VAL 88 -3.089 -6.111 -11.957 290 1HG1 VAL 88 HG12 VAL 88 -1.131 -5.392 -10.003 291 2HG1 VAL 88 HG13 VAL 88 -2.155 -4.094 -10.722 292 3HG1 VAL 88 HG11 VAL 88 -2.968 -5.506 -10.007 293 1HG2 VAL 88 HG21 VAL 88 -1.471 -5.291 -13.939 294 2HG2 VAL 88 HG22 VAL 88 -2.211 -3.980 -12.913 295 3HG2 VAL 88 HG23 VAL 88 -0.545 -4.438 -12.586 296 H ARG 89 HN ARG 89 0.877 -6.574 -10.645 297 HA ARG 89 HA ARG 89 2.431 -5.852 -12.957 298 1HB ARG 89 HB1 ARG 89 3.393 -6.229 -10.066 299 2HB ARG 89 HB2 ARG 89 4.195 -5.302 -11.312 300 1HG ARG 89 HG1 ARG 89 1.341 -4.674 -10.339 301 2HG ARG 89 HG2 ARG 89 2.725 -4.179 -9.416 302 1HD ARG 89 HD1 ARG 89 3.434 -2.827 -11.552 303 2HD ARG 89 HD2 ARG 89 1.958 -3.504 -12.375 304 HE ARG 89 HE ARG 89 0.675 -2.412 -10.357 305 1HH1 ARG 89 HH22 ARG 89 2.584 -1.371 -12.972 306 2HH1 ARG 89 HH21 ARG 89 1.909 0.230 -12.979 307 1HH2 ARG 89 HH12 ARG 89 0.223 -0.152 -9.920 308 2HH2 ARG 89 HH11 ARG 89 0.476 0.884 -11.277 309 H GLY 90 HN GLY 90 2.506 -8.411 -10.442 310 1HA GLY 90 HA2 GLY 90 3.102 -10.630 -11.005 311 2HA GLY 90 HA1 GLY 90 4.241 -10.032 -12.254 312 H LEU 91 HN LEU 91 3.663 -8.601 -9.019 313 HA LEU 91 HA LEU 91 6.551 -9.028 -8.511 314 1HB LEU 91 HB1 LEU 91 4.572 -6.846 -7.646 315 2HB LEU 91 HB2 LEU 91 6.124 -7.084 -6.838 316 HG LEU 91 HG LEU 91 5.468 -5.791 -9.439 317 1HD1 LEU 91 HD21 LEU 91 6.513 -4.592 -7.551 318 2HD1 LEU 91 HD22 LEU 91 7.973 -5.651 -7.686 319 3HD1 LEU 91 HD23 LEU 91 7.522 -4.548 -9.046 320 1HD2 LEU 91 HD13 LEU 91 7.858 -7.696 -9.414 321 2HD2 LEU 91 HD11 LEU 91 6.403 -7.737 -10.508 322 3HD2 LEU 91 HD12 LEU 91 7.562 -6.373 -10.608 323 H GLN 92 HN GLN 92 7.101 -9.155 -6.148 324 HA GLN 92 HA GLN 92 5.079 -10.814 -4.782 325 1HB GLN 92 HB1 GLN 92 6.985 -11.509 -3.331 326 2HB GLN 92 HB2 GLN 92 7.019 -12.105 -4.966 327 1HG GLN 92 HG1 GLN 92 8.457 -9.453 -4.307 328 2HG GLN 92 HG2 GLN 92 9.163 -10.993 -3.752 329 1HE2 GLN 92 HE21 GLN 92 10.629 -10.496 -7.173 330 2HE2 GLN 92 HE22 GLN 92 10.841 -9.862 -5.593 331 HA PRO 93 HA PRO 93 5.068 -7.379 -2.110 332 1HB PRO 93 HB1 PRO 93 3.244 -8.314 -0.286 333 2HB PRO 93 HB2 PRO 93 2.807 -7.575 -1.795 334 1HG PRO 93 HG1 PRO 93 2.687 -10.439 -1.088 335 2HG PRO 93 HG2 PRO 93 1.758 -9.549 -2.275 336 1HD PRO 93 HD1 PRO 93 3.855 -11.263 -2.893 337 2HD PRO 93 HD2 PRO 93 3.316 -9.971 -3.943 338 H GLU 94 HN GLU 94 5.685 -10.752 -1.171 339 HA GLU 94 HA GLU 94 5.978 -10.194 1.571 340 1HB GLU 94 HB1 GLU 94 7.148 -12.549 -0.003 341 2HB GLU 94 HB2 GLU 94 7.033 -12.447 1.757 342 1HG GLU 94 HG1 GLU 94 5.154 -13.748 1.287 343 2HG GLU 94 HG2 GLU 94 4.437 -12.091 1.449 344 H CYS 95 HN CYS 95 8.104 -9.669 -1.152 345 HA CYS 95 HA CYS 95 10.457 -9.636 0.623 346 1HB CYS 95 HB1 CYS 95 10.137 -9.418 -2.410 347 2HB CYS 95 HB2 CYS 95 11.680 -9.227 -1.550 348 HG1 CYS 95 HG1 CYS 95 11.629 -11.567 -0.340 349 H CYS 96 HN CYS 96 7.948 -7.576 -0.007 350 HA CYS 96 HA CYS 96 9.743 -5.243 -0.348 351 1HB CYS 96 HB1 CYS 96 6.788 -5.592 -1.038 352 2HB CYS 96 HB2 CYS 96 7.715 -4.134 -1.244 353 HG1 CYS 96 HG1 CYS 96 7.635 -6.808 -3.019 354 H ALA 97 HN ALA 97 8.642 -3.237 0.556 355 HA ALA 97 HA ALA 97 7.204 -3.840 3.055 356 1HB ALA 97 HB1 ALA 97 9.372 -1.689 2.807 357 2HB ALA 97 HB2 ALA 97 8.279 -1.935 4.199 358 3HB ALA 97 HB3 ALA 97 9.511 -3.206 3.791 359 H VAL 98 HN VAL 98 5.356 -2.625 3.166 360 HA VAL 98 HA VAL 98 4.997 -0.646 1.032 361 HB VAL 98 HB VAL 98 3.297 -2.337 0.994 362 1HG1 VAL 98 HG12 VAL 98 3.468 -2.165 3.952 363 2HG1 VAL 98 HG13 VAL 98 1.854 -2.355 3.292 364 3HG1 VAL 98 HG11 VAL 98 3.159 -3.567 2.837 365 1HG2 VAL 98 HG21 VAL 98 2.570 0.109 0.804 366 2HG2 VAL 98 HG22 VAL 98 1.319 -1.112 1.191 367 3HG2 VAL 98 HG23 VAL 98 1.943 -0.095 2.517 368 H PHE 99 HN PHE 99 3.981 1.376 1.577 369 HA PHE 99 HA PHE 99 4.348 2.240 4.367 370 1HB PHE 99 HB1 PHE 99 5.834 3.285 1.882 371 2HB PHE 99 HB2 PHE 99 5.473 4.366 3.181 372 HD1 PHE 99 HD1 PHE 99 6.981 1.180 1.909 373 HD2 PHE 99 HD2 PHE 99 7.087 3.800 5.321 374 HE1 PHE 99 HE1 PHE 99 9.270 0.545 2.382 375 HE2 PHE 99 HE2 PHE 99 9.255 2.978 5.853 376 HZ PHE 99 HZ PHE 99 10.525 1.939 3.974 377 H ARG 100 HN ARG 100 3.558 4.521 4.600 378 HA ARG 100 HA ARG 100 1.560 5.416 2.521 379 1HB ARG 100 HB1 ARG 100 0.193 5.261 4.028 380 2HB ARG 100 HB2 ARG 100 1.444 5.308 5.309 381 1HG ARG 100 HG1 ARG 100 1.893 7.686 4.906 382 2HG ARG 100 HG2 ARG 100 0.446 7.736 3.834 383 1HD ARG 100 HD1 ARG 100 -0.516 6.503 6.167 384 2HD ARG 100 HD2 ARG 100 0.891 7.294 6.833 385 HE ARG 100 HE ARG 100 -1.561 8.478 5.285 386 1HH1 ARG 100 HH22 ARG 100 1.521 9.305 6.680 387 2HH1 ARG 100 HH21 ARG 100 1.128 10.995 6.860 388 1HH2 ARG 100 HH12 ARG 100 -2.239 10.596 5.869 389 2HH2 ARG 100 HH11 ARG 100 -0.990 11.753 6.289 390 H LEU 101 HN LEU 101 2.005 7.356 1.647 391 HA LEU 101 HA LEU 101 4.743 7.943 1.603 392 1HB LEU 101 HB1 LEU 101 2.253 9.432 0.427 393 2HB LEU 101 HB2 LEU 101 3.922 9.943 0.048 394 HG LEU 101 HG LEU 101 2.627 7.281 -0.711 395 1HD1 LEU 101 HD22 LEU 101 2.106 9.336 -2.100 396 2HD1 LEU 101 HD23 LEU 101 3.855 9.398 -2.527 397 3HD1 LEU 101 HD21 LEU 101 2.876 7.943 -2.962 398 1HD2 LEU 101 HD12 LEU 101 5.541 8.054 -0.597 399 2HD2 LEU 101 HD13 LEU 101 4.718 6.485 -0.279 400 3HD2 LEU 101 HD11 LEU 101 4.957 7.126 -1.996 401 H LEU 102 HN LEU 102 5.301 10.514 1.453 402 HA LEU 102 HA LEU 102 5.020 11.358 4.162 403 1HB LEU 102 HB1 LEU 102 6.482 13.301 3.075 404 2HB LEU 102 HB2 LEU 102 7.154 11.728 3.647 405 HG LEU 102 HG LEU 102 7.081 10.772 1.414 406 1HD1 LEU 102 HD23 LEU 102 5.141 12.197 0.563 407 2HD1 LEU 102 HD21 LEU 102 6.274 13.553 0.399 408 3HD1 LEU 102 HD22 LEU 102 6.561 12.034 -0.567 409 1HD2 LEU 102 HD11 LEU 102 9.132 11.792 2.168 410 2HD2 LEU 102 HD12 LEU 102 8.888 12.019 0.395 411 3HD2 LEU 102 HD13 LEU 102 8.605 13.397 1.530 412 H HIS 103 HN HSP 103 2.628 11.773 4.073 413 HA HIS 103 HA HSP 103 1.944 14.163 2.552 414 1HB HIS 103 HB1 HSP 103 0.342 12.346 4.396 415 2HB HIS 103 HB2 HSP 103 -0.303 13.875 3.694 416 HD1 HIS 103 HD1 HSP 103 -1.805 11.448 2.923 417 HD2 HIS 103 HD2 HSP 103 1.417 12.950 0.670 418 HE1 HIS 103 HE1 HSP 103 -2.141 10.721 0.544 419 HE2 HIS 103 HE2 HSP 103 -0.278 11.714 -0.815 420 H GLU 104 HN GLU 104 3.337 13.311 5.616 421 HA GLU 104 HA GLU 104 3.084 16.130 6.390 422 1HB GLU 104 HB1 GLU 104 2.688 13.918 8.462 423 2HB GLU 104 HB2 GLU 104 2.527 15.658 8.687 424 1HG GLU 104 HG1 GLU 104 0.280 15.015 8.608 425 2HG GLU 104 HG2 GLU 104 0.566 15.574 6.920 426 H HIS 105 HN HSP 105 5.246 14.545 5.132 427 HA HIS 105 HA HSP 105 7.153 14.808 7.329 428 1HB HIS 105 HB1 HSP 105 7.745 12.477 5.578 429 2HB HIS 105 HB2 HSP 105 8.100 12.745 7.304 430 HD1 HIS 105 HD1 HSP 105 5.514 12.881 8.681 431 HD2 HIS 105 HD2 HSP 105 6.059 10.332 5.401 432 HE1 HIS 105 HE1 HSP 105 3.898 10.948 8.955 433 HE2 HIS 105 HE2 HSP 105 4.225 9.465 6.936 434 H LYS 106 HN LYS 106 9.469 14.690 6.274 435 HA LYS 106 HA LYS 106 9.253 16.338 3.905 436 1HB LYS 106 HB1 LYS 106 11.483 15.856 5.935 437 2HB LYS 106 HB2 LYS 106 11.706 16.822 4.468 438 1HG LYS 106 HG1 LYS 106 9.573 17.421 6.622 439 2HG LYS 106 HG2 LYS 106 11.210 18.101 6.648 440 1HD LYS 106 HD1 LYS 106 10.820 19.210 4.430 441 2HD LYS 106 HD2 LYS 106 9.187 18.500 4.349 442 1HE LYS 106 HE1 LYS 106 8.504 19.742 6.412 443 2HE LYS 106 HE2 LYS 106 10.155 20.485 6.498 444 1HZ LYS 106 HZ3 LYS 106 9.785 21.408 4.318 445 2HZ LYS 106 HZ1 LYS 106 8.241 20.711 4.241 446 3HZ LYS 106 HZ2 LYS 106 8.575 21.902 5.404 447 H GLY 107 HN GLY 107 10.975 13.549 5.185 448 1HA GLY 107 HA2 GLY 107 11.314 12.499 2.473 449 2HA GLY 107 HA1 GLY 107 12.786 12.988 3.385 450 H LYS 108 HN LYS 108 9.657 11.312 4.239 451 HA LYS 108 HA LYS 108 11.069 8.902 4.919 452 1HB LYS 108 HB1 LYS 108 9.807 10.626 7.068 453 2HB LYS 108 HB2 LYS 108 10.025 8.857 7.198 454 1HG LYS 108 HG1 LYS 108 12.558 9.502 6.469 455 2HG LYS 108 HG2 LYS 108 12.122 11.034 7.229 456 1HD LYS 108 HD1 LYS 108 11.881 8.131 8.382 457 2HD LYS 108 HD2 LYS 108 13.254 9.200 8.710 458 1HE LYS 108 HE1 LYS 108 10.329 9.842 9.513 459 2HE LYS 108 HE2 LYS 108 11.557 9.087 10.606 460 1HZ LYS 108 HZ2 LYS 108 11.823 11.717 9.263 461 2HZ LYS 108 HZ3 LYS 108 11.416 11.454 10.893 462 3HZ LYS 108 HZ1 LYS 108 12.946 11.001 10.310 463 H LYS 109 HN LYS 109 9.607 7.239 4.682 464 HA LYS 109 HA LYS 109 6.837 8.023 4.094 465 1HB LYS 109 HB1 LYS 109 8.682 5.856 3.145 466 2HB LYS 109 HB2 LYS 109 7.430 5.243 3.501 467 1HG LYS 109 HG1 LYS 109 6.802 7.672 1.796 468 2HG LYS 109 HG2 LYS 109 8.460 7.253 1.436 469 1HD LYS 109 HD1 LYS 109 6.023 5.418 1.071 470 2HD LYS 109 HD2 LYS 109 6.879 6.215 -0.186 471 1HE LYS 109 HE1 LYS 109 8.324 4.248 1.699 472 2HE LYS 109 HE2 LYS 109 7.502 3.720 0.174 473 1HZ LYS 109 HZ2 LYS 109 8.887 5.380 -0.982 474 2HZ LYS 109 HZ3 LYS 109 9.755 5.623 0.473 475 3HZ LYS 109 HZ1 LYS 109 9.741 4.096 -0.312 476 H ALA 110 HN ALA 110 5.293 6.612 5.090 477 HA ALA 110 HA ALA 110 6.173 6.139 7.884 478 1HB ALA 110 HB1 ALA 110 3.309 6.547 6.978 479 2HB ALA 110 HB2 ALA 110 3.858 6.004 8.622 480 3HB ALA 110 HB3 ALA 110 4.290 7.647 8.035 481 H ARG 111 HN ARG 111 6.453 3.927 8.390 482 HA ARG 111 HA ARG 111 5.866 2.195 6.158 483 1HB ARG 111 HB1 ARG 111 8.107 2.400 7.365 484 2HB ARG 111 HB2 ARG 111 7.279 1.767 8.818 485 1HG ARG 111 HG1 ARG 111 6.953 0.123 6.326 486 2HG ARG 111 HG2 ARG 111 8.596 0.277 6.943 487 1HD ARG 111 HD1 ARG 111 7.497 -0.219 9.317 488 2HD ARG 111 HD2 ARG 111 6.148 -0.814 8.427 489 HE ARG 111 HE ARG 111 9.047 -1.859 8.124 490 1HH1 ARG 111 HH22 ARG 111 5.726 -2.214 6.983 491 2HH1 ARG 111 HH21 ARG 111 6.207 -3.372 5.808 492 1HH2 ARG 111 HH12 ARG 111 9.312 -3.981 7.292 493 2HH2 ARG 111 HH11 ARG 111 8.211 -4.459 6.048 494 H LEU 112 HN LEU 112 4.621 0.474 6.311 495 HA LEU 112 HA LEU 112 2.633 0.592 8.516 496 1HB LEU 112 HB1 LEU 112 2.349 -0.191 5.568 497 2HB LEU 112 HB2 LEU 112 1.048 -0.308 6.770 498 HG LEU 112 HG LEU 112 2.500 2.270 6.080 499 1HD1 LEU 112 HD12 LEU 112 -0.165 1.213 4.979 500 2HD1 LEU 112 HD13 LEU 112 0.465 2.893 4.758 501 3HD1 LEU 112 HD11 LEU 112 1.353 1.496 4.047 502 1HD2 LEU 112 HD23 LEU 112 1.580 2.407 8.261 503 2HD2 LEU 112 HD21 LEU 112 0.707 3.475 7.118 504 3HD2 LEU 112 HD22 LEU 112 -0.054 1.916 7.640 505 H ASP 113 HN ASP 113 1.210 -1.534 8.148 506 HA ASP 113 HA ASP 113 3.098 -3.685 8.711 507 1HB ASP 113 HB1 ASP 113 1.014 -3.239 10.259 508 2HB ASP 113 HB2 ASP 113 0.100 -4.089 8.931 509 H TRP 114 HN TRP 114 1.764 -5.973 7.703 510 HA TRP 114 HA TRP 114 1.651 -5.236 5.071 511 1HB TRP 114 HB1 TRP 114 3.537 -7.103 6.423 512 2HB TRP 114 HB2 TRP 114 2.415 -8.154 5.551 513 HD1 TRP 114 HD1 TRP 114 5.429 -8.053 4.558 514 HE1 TRP 114 HE1 TRP 114 6.166 -6.877 2.339 515 HE3 TRP 114 HE3 TRP 114 1.113 -6.202 3.662 516 HZ2 TRP 114 HZ2 TRP 114 4.546 -5.874 0.104 517 HZ3 TRP 114 HZ3 TRP 114 0.543 -5.240 1.405 518 HH2 TRP 114 HH2 TRP 114 2.167 -5.326 -0.369 519 H ASN 115 HN ASN 115 0.153 -6.227 7.830 520 HA ASN 115 HA ASN 115 -2.067 -7.268 6.162 521 1HB ASN 115 HB1 ASN 115 -0.941 -8.327 8.517 522 2HB ASN 115 HB2 ASN 115 -2.156 -7.287 9.207 523 1HD2 ASN 115 HD21 ASN 115 -4.937 -9.076 7.636 524 2HD2 ASN 115 HD22 ASN 115 -4.413 -7.472 8.048 525 H THR 116 HN THR 116 -1.029 -4.444 6.543 526 HA THR 116 HA THR 116 -2.301 -3.564 8.663 527 HB THR 116 HB THR 116 -0.331 -2.417 7.061 528 HG1 THR 116 HG1 THR 116 -1.298 -1.187 9.333 529 1HG2 THR 116 HG23 THR 116 -2.785 -0.548 7.793 530 2HG2 THR 116 HG21 THR 116 -1.113 0.078 7.814 531 3HG2 THR 116 HG22 THR 116 -1.703 -0.451 6.279 532 H ASP 117 HN ASP 117 -4.172 -2.240 9.020 533 HA ASP 117 HA ASP 117 -6.413 -2.583 7.256 534 1HB ASP 117 HB1 ASP 117 -6.485 -2.219 9.788 535 2HB ASP 117 HB2 ASP 117 -6.104 -0.495 9.454 536 H ALA 118 HN ALA 118 -5.526 -1.896 5.269 537 HA ALA 118 HA ALA 118 -4.614 0.614 4.500 538 1HB ALA 118 HB3 ALA 118 -5.010 -1.580 3.120 539 2HB ALA 118 HB1 ALA 118 -6.733 -1.134 3.070 540 3HB ALA 118 HB2 ALA 118 -5.522 -0.043 2.293 541 H ALA 119 HN ALA 119 -7.783 -0.307 5.697 542 HA ALA 119 HA ALA 119 -9.311 1.899 4.598 543 1HB ALA 119 HB2 ALA 119 -9.132 -0.450 6.610 544 2HB ALA 119 HB3 ALA 119 -10.433 0.797 6.951 545 3HB ALA 119 HB1 ALA 119 -10.419 -0.149 5.411 546 H SER 120 HN SER 120 -6.802 1.647 7.047 547 HA SER 120 HA SER 120 -7.851 4.066 8.371 548 1HB SER 120 HB1 SER 120 -6.965 2.213 9.803 549 2HB SER 120 HB2 SER 120 -5.356 2.445 9.028 550 HG SER 120 HG1 SER 120 -5.783 4.768 9.674 551 H LEU 121 HN LEU 121 -5.854 3.068 5.759 552 HA LEU 121 HA LEU 121 -4.258 5.585 5.877 553 1HB LEU 121 HB1 LEU 121 -3.887 3.153 4.046 554 2HB LEU 121 HB2 LEU 121 -2.834 4.518 4.165 555 HG LEU 121 HG LEU 121 -1.677 2.952 5.487 556 1HD1 LEU 121 HD21 LEU 121 -2.056 4.979 6.893 557 2HD1 LEU 121 HD22 LEU 121 -3.558 4.272 7.522 558 3HD1 LEU 121 HD23 LEU 121 -1.975 3.456 7.899 559 1HD2 LEU 121 HD11 LEU 121 -4.441 1.914 6.153 560 2HD2 LEU 121 HD12 LEU 121 -2.979 1.032 5.628 561 3HD2 LEU 121 HD13 LEU 121 -3.122 1.636 7.347 562 H ILE 122 HN ILE 122 -6.881 4.336 5.005 563 HA ILE 122 HA ILE 122 -7.336 4.829 2.446 564 HB ILE 122 HB ILE 122 -9.019 4.035 4.370 565 1HG1 ILE 122 HG11 ILE 122 -10.882 4.021 2.702 566 2HG1 ILE 122 HG12 ILE 122 -9.698 4.763 1.560 567 1HG2 ILE 122 HG23 ILE 122 -9.614 6.280 5.197 568 2HG2 ILE 122 HG21 ILE 122 -10.272 6.679 3.541 569 3HG2 ILE 122 HG22 ILE 122 -11.037 5.393 4.497 570 1HD1 ILE 122 HD3 ILE 122 -8.355 2.531 2.701 571 2HD1 ILE 122 HD1 ILE 122 -10.049 1.999 2.259 572 3HD1 ILE 122 HD2 ILE 122 -9.026 2.708 1.023 573 H GLY 123 HN GLY 123 -8.110 6.376 1.114 574 1HA GLY 123 HA2 GLY 123 -8.161 8.449 0.218 575 2HA GLY 123 HA1 GLY 123 -8.435 9.059 1.887 576 H GLU 124 HN GLU 124 -5.539 7.200 0.821 577 HA GLU 124 HA GLU 124 -3.960 9.689 1.034 578 1HB GLU 124 HB1 GLU 124 -3.151 6.997 2.193 579 2HB GLU 124 HB2 GLU 124 -2.279 8.534 2.312 580 1HG GLU 124 HG1 GLU 124 -5.133 8.230 3.456 581 2HG GLU 124 HG2 GLU 124 -3.766 7.553 4.308 582 H GLU 125 HN GLU 125 -1.532 8.439 0.650 583 HA GLU 125 HA GLU 125 -1.845 6.971 -1.892 584 1HB GLU 125 HB1 GLU 125 0.102 9.250 -1.364 585 2HB GLU 125 HB2 GLU 125 0.381 8.007 -2.611 586 1HG GLU 125 HG1 GLU 125 -1.173 8.682 -4.073 587 2HG GLU 125 HG2 GLU 125 -2.320 9.181 -2.827 588 H LEU 126 HN LEU 126 -0.835 5.083 -1.795 589 HA LEU 126 HA LEU 126 1.055 4.758 0.412 590 1HB LEU 126 HB1 LEU 126 -0.324 2.583 -1.269 591 2HB LEU 126 HB2 LEU 126 0.869 2.267 -0.023 592 HG LEU 126 HG LEU 126 -2.012 2.997 0.313 593 1HD1 LEU 126 HD23 LEU 126 -1.108 0.726 0.828 594 2HD1 LEU 126 HD21 LEU 126 -0.015 1.452 2.067 595 3HD1 LEU 126 HD22 LEU 126 -1.805 1.543 2.284 596 1HD2 LEU 126 HD11 LEU 126 0.116 3.952 2.321 597 2HD2 LEU 126 HD12 LEU 126 -1.084 4.994 1.389 598 3HD2 LEU 126 HD13 LEU 126 -1.643 3.844 2.634 599 H GLN 127 HN GLN 127 2.903 3.217 -0.060 600 HA GLN 127 HA GLN 127 3.595 3.060 -2.875 601 1HB GLN 127 HB1 GLN 127 4.672 5.249 -1.990 602 2HB GLN 127 HB2 GLN 127 5.669 4.203 -0.953 603 1HG GLN 127 HG1 GLN 127 5.888 3.136 -3.640 604 2HG GLN 127 HG2 GLN 127 5.854 4.953 -3.836 605 1HE2 GLN 127 HE21 GLN 127 9.252 3.435 -2.379 606 2HE2 GLN 127 HE22 GLN 127 7.970 2.403 -2.932 607 H VAL 128 HN VAL 128 5.266 1.412 -3.197 608 HA VAL 128 HA VAL 128 5.713 -0.205 -0.754 609 HB VAL 128 HB VAL 128 5.100 -1.111 -3.577 610 1HG1 VAL 128 HG11 VAL 128 6.319 -2.752 -1.263 611 2HG1 VAL 128 HG12 VAL 128 5.649 -3.429 -2.797 612 3HG1 VAL 128 HG13 VAL 128 7.108 -2.397 -2.867 613 1HG2 VAL 128 HG22 VAL 128 3.184 -0.867 -1.975 614 2HG2 VAL 128 HG23 VAL 128 3.472 -2.545 -2.566 615 3HG2 VAL 128 HG21 VAL 128 3.988 -2.076 -0.893 616 H ASP 129 HN ASP 129 7.814 -0.920 -0.436 617 HA ASP 129 HA ASP 129 9.744 -0.051 -2.479 618 1HB ASP 129 HB1 ASP 129 9.420 1.165 0.137 619 2HB ASP 129 HB2 ASP 129 10.857 0.099 0.277 620 H PHE 130 HN PHE 130 12.019 -1.150 -1.790 621 HA PHE 130 HA PHE 130 11.260 -3.951 -1.443 622 1HB PHE 130 HB1 PHE 130 13.950 -2.666 -2.184 623 2HB PHE 130 HB2 PHE 130 13.600 -4.415 -2.153 624 HD1 PHE 130 HD2 PHE 130 11.826 -5.399 -3.664 625 HD2 PHE 130 HD1 PHE 130 13.239 -1.381 -4.133 626 HE1 PHE 130 HE2 PHE 130 10.970 -5.355 -5.952 627 HE2 PHE 130 HE1 PHE 130 12.470 -1.401 -6.454 628 HZ PHE 130 HZ PHE 130 11.314 -3.371 -7.368 629 H LEU 131 HN LEU 131 12.240 -5.282 0.181 630 HA LEU 131 HA LEU 131 13.406 -3.821 2.442 631 1HB LEU 131 HB1 LEU 131 12.635 -6.731 2.029 632 2HB LEU 131 HB2 LEU 131 13.378 -6.032 3.549 633 HG LEU 131 HG LEU 131 10.857 -4.767 2.561 634 1HD1 LEU 131 HD22 LEU 131 10.328 -7.153 2.471 635 2HD1 LEU 131 HD23 LEU 131 10.984 -7.390 4.124 636 3HD1 LEU 131 HD21 LEU 131 9.519 -6.337 3.870 637 1HD2 LEU 131 HD11 LEU 131 12.203 -5.243 5.277 638 2HD2 LEU 131 HD12 LEU 131 11.999 -3.687 4.409 639 3HD2 LEU 131 HD13 LEU 131 10.544 -4.557 5.056 640 H ASP 132 HN ASP 132 14.727 -6.697 2.708 641 HA ASP 132 HA ASP 132 17.280 -5.809 1.806 642 1HB ASP 132 HB1 ASP 132 16.545 -8.666 2.646 643 2HB ASP 132 HB2 ASP 132 18.185 -7.875 2.683 No H/Q in entry = 643 Start of MODEL 19 1 1H SER 55 HT2 SER 55 -13.687 7.198 3.282 2 2H SER 55 HT1 SER 55 -12.023 7.257 3.483 3 3H SER 55 HT3 SER 55 -12.843 8.616 2.849 4 HA SER 55 HA SER 55 -13.415 7.446 0.898 5 1HB SER 55 HB1 SER 55 -10.998 8.488 1.257 6 2HB SER 55 HB2 SER 55 -10.449 6.784 1.404 7 HG SER 55 HG1 SER 55 -11.626 8.144 -0.779 8 H ASN 56 HN ASN 56 -12.421 5.475 -0.491 9 HA ASN 56 HA ASN 56 -12.073 3.113 1.182 10 1HB ASN 56 HB1 ASN 56 -14.543 3.248 0.576 11 2HB ASN 56 HB2 ASN 56 -14.026 3.002 -1.142 12 1HD2 ASN 56 HD21 ASN 56 -13.484 -0.516 -0.466 13 2HD2 ASN 56 HD22 ASN 56 -13.430 0.773 -1.619 14 H THR 57 HN THR 57 -10.566 5.118 -0.558 15 HA THR 57 HA THR 57 -9.593 3.170 -2.565 16 HB THR 57 HB THR 57 -9.163 4.960 -4.134 17 HG1 THR 57 HG1 THR 57 -10.323 6.587 -2.092 18 1HG2 THR 57 HG23 THR 57 -11.494 4.027 -4.232 19 2HG2 THR 57 HG21 THR 57 -12.040 5.307 -3.082 20 3HG2 THR 57 HG22 THR 57 -11.421 5.763 -4.714 21 H ILE 58 HN ILE 58 -7.345 3.075 -2.773 22 HA ILE 58 HA ILE 58 -5.833 5.168 -1.438 23 HB ILE 58 HB ILE 58 -4.620 2.483 -1.028 24 1HG1 ILE 58 HG11 ILE 58 -6.884 3.236 0.831 25 2HG1 ILE 58 HG12 ILE 58 -6.964 1.970 -0.431 26 1HG2 ILE 58 HG23 ILE 58 -4.792 4.998 0.735 27 2HG2 ILE 58 HG21 ILE 58 -3.901 3.491 1.127 28 3HG2 ILE 58 HG22 ILE 58 -3.407 4.466 -0.305 29 1HD1 ILE 58 HD3 ILE 58 -4.960 0.821 0.583 30 2HD1 ILE 58 HD1 ILE 58 -5.087 1.970 1.979 31 3HD1 ILE 58 HD2 ILE 58 -6.446 0.848 1.605 32 H ARG 59 HN ARG 59 -3.620 5.324 -2.407 33 HA ARG 59 HA ARG 59 -3.686 4.076 -5.056 34 1HB ARG 59 HB1 ARG 59 -2.140 6.451 -3.954 35 2HB ARG 59 HB2 ARG 59 -2.006 5.811 -5.609 36 1HG ARG 59 HG1 ARG 59 -3.752 6.985 -6.291 37 2HG ARG 59 HG2 ARG 59 -4.805 6.144 -5.227 38 1HD ARG 59 HD1 ARG 59 -3.871 7.859 -3.334 39 2HD ARG 59 HD2 ARG 59 -3.475 8.859 -4.782 40 HE ARG 59 HE ARG 59 -5.862 8.733 -5.482 41 1HH1 ARG 59 HH22 ARG 59 -5.367 7.289 -2.296 42 2HH1 ARG 59 HH21 ARG 59 -7.023 6.787 -2.195 43 1HH2 ARG 59 HH12 ARG 59 -8.063 8.701 -4.910 44 2HH2 ARG 59 HH11 ARG 59 -8.560 7.620 -3.647 45 H VAL 60 HN VAL 60 -1.774 3.102 -5.879 46 HA VAL 60 HA VAL 60 0.049 2.218 -3.698 47 HB VAL 60 HB VAL 60 -0.764 0.411 -5.975 48 1HG1 VAL 60 HG13 VAL 60 0.686 -0.110 -3.333 49 2HG1 VAL 60 HG11 VAL 60 0.178 -1.360 -4.552 50 3HG1 VAL 60 HG12 VAL 60 1.403 -0.106 -4.980 51 1HG2 VAL 60 HG21 VAL 60 -1.952 0.466 -3.147 52 2HG2 VAL 60 HG22 VAL 60 -2.821 0.752 -4.704 53 3HG2 VAL 60 HG23 VAL 60 -2.133 -0.875 -4.340 54 H PHE 61 HN PHE 61 1.962 3.079 -4.127 55 HA PHE 61 HA PHE 61 2.670 3.509 -6.943 56 1HB PHE 61 HB1 PHE 61 3.578 4.688 -4.294 57 2HB PHE 61 HB2 PHE 61 4.687 4.749 -5.779 58 HD1 PHE 61 HD1 PHE 61 1.046 5.291 -4.846 59 HD2 PHE 61 HD2 PHE 61 4.477 6.726 -6.968 60 HE1 PHE 61 HE1 PHE 61 -0.197 7.270 -5.548 61 HE2 PHE 61 HE2 PHE 61 3.269 8.786 -7.497 62 HZ PHE 61 HZ PHE 61 0.950 9.092 -6.719 63 H LEU 62 HN LEU 62 4.591 2.553 -7.857 64 HA LEU 62 HA LEU 62 5.194 0.121 -6.316 65 1HB LEU 62 HB1 LEU 62 5.663 0.917 -9.206 66 2HB LEU 62 HB2 LEU 62 6.432 -0.506 -8.490 67 HG LEU 62 HG LEU 62 4.211 -0.905 -9.750 68 1HD1 LEU 62 HD11 LEU 62 5.482 -2.615 -8.492 69 2HD1 LEU 62 HD12 LEU 62 4.601 -2.140 -6.982 70 3HD1 LEU 62 HD13 LEU 62 3.699 -2.823 -8.386 71 1HD2 LEU 62 HD21 LEU 62 2.859 0.826 -8.574 72 2HD2 LEU 62 HD22 LEU 62 2.184 -0.849 -8.434 73 3HD2 LEU 62 HD23 LEU 62 3.036 -0.123 -7.036 74 HA PRO 63 HA PRO 63 9.204 1.570 -5.614 75 1HB PRO 63 HB1 PRO 63 10.261 -1.119 -6.334 76 2HB PRO 63 HB2 PRO 63 10.514 -0.190 -4.878 77 1HG PRO 63 HG1 PRO 63 8.815 -2.383 -5.150 78 2HG PRO 63 HG2 PRO 63 8.632 -1.212 -3.903 79 1HD PRO 63 HD1 PRO 63 6.779 -1.635 -6.032 80 2HD PRO 63 HD2 PRO 63 6.691 -0.428 -4.834 81 H ASN 64 HN ASN 64 8.244 -0.135 -8.590 82 HA ASN 64 HA ASN 64 10.531 0.960 -10.002 83 1HB ASN 64 HB1 ASN 64 9.392 0.128 -12.083 84 2HB ASN 64 HB2 ASN 64 9.949 -1.111 -10.911 85 1HD2 ASN 64 HD21 ASN 64 5.931 -0.726 -11.619 86 2HD2 ASN 64 HD22 ASN 64 7.082 0.348 -12.350 87 H LYS 65 HN LYS 65 8.496 2.619 -8.441 88 HA LYS 65 HA LYS 65 8.049 4.738 -8.614 89 1HB LYS 65 HB1 LYS 65 8.810 4.785 -11.572 90 2HB LYS 65 HB2 LYS 65 8.788 6.151 -10.428 91 1HG LYS 65 HG1 LYS 65 10.609 3.727 -9.965 92 2HG LYS 65 HG2 LYS 65 11.073 4.979 -11.127 93 1HD LYS 65 HD1 LYS 65 11.236 6.674 -9.410 94 2HD LYS 65 HD2 LYS 65 10.257 5.742 -8.259 95 1HE LYS 65 HE1 LYS 65 12.573 5.647 -7.526 96 2HE LYS 65 HE2 LYS 65 12.054 3.999 -8.063 97 1HZ LYS 65 HZ1 LYS 65 13.100 4.439 -10.184 98 2HZ LYS 65 HZ2 LYS 65 13.592 5.975 -9.663 99 3HZ LYS 65 HZ3 LYS 65 14.208 4.582 -8.906 100 H GLN 66 HN GLN 66 6.439 2.384 -10.155 101 HA GLN 66 HA GLN 66 4.659 3.944 -11.519 102 1HB GLN 66 HB1 GLN 66 4.725 1.035 -10.841 103 2HB GLN 66 HB2 GLN 66 3.133 1.660 -11.186 104 1HG GLN 66 HG1 GLN 66 5.522 2.189 -13.039 105 2HG GLN 66 HG2 GLN 66 4.570 0.674 -13.110 106 1HE2 GLN 66 HE21 GLN 66 1.671 2.299 -14.535 107 2HE2 GLN 66 HE22 GLN 66 2.361 0.833 -13.942 108 H ARG 67 HN ARG 67 2.108 3.437 -11.141 109 HA ARG 67 HA ARG 67 1.416 3.799 -8.355 110 1HB ARG 67 HB1 ARG 67 0.218 5.936 -8.784 111 2HB ARG 67 HB2 ARG 67 1.977 6.060 -8.658 112 1HG ARG 67 HG1 ARG 67 0.873 5.640 -11.449 113 2HG ARG 67 HG2 ARG 67 0.383 7.128 -10.676 114 1HD ARG 67 HD1 ARG 67 2.340 8.123 -11.149 115 2HD ARG 67 HD2 ARG 67 3.197 6.938 -10.100 116 HE ARG 67 HE ARG 67 3.108 5.367 -12.212 117 1HH1 ARG 67 HH22 ARG 67 4.327 8.525 -11.628 118 2HH1 ARG 67 HH21 ARG 67 5.540 8.383 -12.854 119 1HH2 ARG 67 HH12 ARG 67 4.392 5.266 -14.039 120 2HH2 ARG 67 HH11 ARG 67 5.575 6.527 -14.241 121 H THR 68 HN THR 68 -0.968 4.009 -8.148 122 HA THR 68 HA THR 68 -2.675 3.802 -10.299 123 HB THR 68 HB THR 68 -1.722 1.500 -10.711 124 HG1 THR 68 HG1 THR 68 -3.812 0.478 -10.459 125 1HG2 THR 68 HG21 THR 68 -1.242 0.969 -8.227 126 2HG2 THR 68 HG22 THR 68 -3.022 0.721 -8.029 127 3HG2 THR 68 HG23 THR 68 -2.085 -0.321 -9.162 128 H VAL 69 HN VAL 69 -4.942 2.854 -9.349 129 HA VAL 69 HA VAL 69 -4.988 3.624 -6.488 130 HB VAL 69 HB VAL 69 -6.024 5.447 -7.501 131 1HG1 VAL 69 HG13 VAL 69 -6.439 4.569 -9.785 132 2HG1 VAL 69 HG11 VAL 69 -7.744 3.492 -9.134 133 3HG1 VAL 69 HG12 VAL 69 -7.930 5.286 -9.075 134 1HG2 VAL 69 HG23 VAL 69 -7.072 4.585 -5.482 135 2HG2 VAL 69 HG21 VAL 69 -8.170 5.505 -6.575 136 3HG2 VAL 69 HG22 VAL 69 -8.282 3.711 -6.518 137 H VAL 70 HN VAL 70 -6.217 2.325 -5.186 138 HA VAL 70 HA VAL 70 -7.580 0.055 -6.503 139 HB VAL 70 HB VAL 70 -6.674 -1.473 -4.803 140 1HG1 VAL 70 HG12 VAL 70 -5.517 -1.310 -7.010 141 2HG1 VAL 70 HG13 VAL 70 -4.401 -0.083 -6.305 142 3HG1 VAL 70 HG11 VAL 70 -4.427 -1.774 -5.646 143 1HG2 VAL 70 HG22 VAL 70 -4.852 0.839 -3.947 144 2HG2 VAL 70 HG23 VAL 70 -6.179 0.092 -2.968 145 3HG2 VAL 70 HG21 VAL 70 -4.736 -0.881 -3.412 146 H ASN 71 HN ASN 71 -8.928 -1.136 -4.777 147 HA ASN 71 HA ASN 71 -9.970 0.844 -2.839 148 1HB ASN 71 HB1 ASN 71 -11.549 -1.165 -4.566 149 2HB ASN 71 HB2 ASN 71 -12.224 -0.307 -3.122 150 1HD2 ASN 71 HD21 ASN 71 -11.552 1.806 -6.626 151 2HD2 ASN 71 HD22 ASN 71 -10.791 0.270 -6.388 152 H VAL 72 HN VAL 72 -10.666 -0.150 -0.828 153 HA VAL 72 HA VAL 72 -9.450 -2.793 -0.469 154 HB VAL 72 HB VAL 72 -8.872 -1.099 1.230 155 1HG1 VAL 72 HG13 VAL 72 -11.180 0.062 1.170 156 2HG1 VAL 72 HG11 VAL 72 -11.747 -1.269 2.232 157 3HG1 VAL 72 HG12 VAL 72 -10.390 -0.227 2.793 158 1HG2 VAL 72 HG21 VAL 72 -8.854 -3.523 1.822 159 2HG2 VAL 72 HG22 VAL 72 -9.281 -2.458 3.210 160 3HG2 VAL 72 HG23 VAL 72 -10.575 -3.386 2.374 161 H ARG 73 HN ARG 73 -10.674 -4.626 -0.175 162 HA ARG 73 HA ARG 73 -13.575 -4.182 -0.333 163 1HB ARG 73 HB1 ARG 73 -11.689 -5.945 -1.856 164 2HB ARG 73 HB2 ARG 73 -12.950 -6.891 -1.128 165 1HG ARG 73 HG1 ARG 73 -12.794 -4.912 -3.429 166 2HG ARG 73 HG2 ARG 73 -13.919 -6.271 -3.244 167 1HD ARG 73 HD1 ARG 73 -14.177 -3.417 -2.079 168 2HD ARG 73 HD2 ARG 73 -15.153 -4.145 -3.378 169 HE ARG 73 HE ARG 73 -15.926 -5.924 -1.677 170 1HH1 ARG 73 HH22 ARG 73 -15.904 -2.480 -1.625 171 2HH1 ARG 73 HH21 ARG 73 -17.346 -2.399 -0.670 172 1HH2 ARG 73 HH12 ARG 73 -17.358 -5.822 0.148 173 2HH2 ARG 73 HH11 ARG 73 -18.207 -4.313 0.294 174 H ASN 74 HN ASN 74 -14.527 -6.620 0.381 175 HA ASN 74 HA ASN 74 -13.928 -6.500 3.165 176 1HB ASN 74 HB1 ASN 74 -15.557 -8.586 3.213 177 2HB ASN 74 HB2 ASN 74 -16.153 -6.916 3.030 178 1HD2 ASN 74 HD21 ASN 74 -16.073 -9.453 -0.301 179 2HD2 ASN 74 HD22 ASN 74 -14.889 -9.646 0.947 180 H GLY 75 HN GLY 75 -12.132 -7.396 3.958 181 1HA GLY 75 HA2 GLY 75 -11.271 -9.220 4.774 182 2HA GLY 75 HA1 GLY 75 -11.664 -10.261 3.334 183 H MET 76 HN MET 76 -10.437 -7.175 2.537 184 HA MET 76 HA MET 76 -7.836 -8.312 2.012 185 1HB MET 76 HB1 MET 76 -8.884 -5.515 1.293 186 2HB MET 76 HB2 MET 76 -7.481 -6.014 0.882 187 1HG MET 76 HG1 MET 76 -8.537 -6.624 -1.118 188 2HG MET 76 HG2 MET 76 -8.285 -8.200 -0.276 189 1HE MET 76 HE3 MET 76 -10.415 -8.112 -2.620 190 2HE MET 76 HE1 MET 76 -9.967 -9.613 -1.703 191 3HE MET 76 HE2 MET 76 -11.674 -9.144 -1.893 192 H SER 77 HN SER 77 -5.854 -7.321 2.640 193 HA SER 77 HA SER 77 -5.910 -4.861 4.098 194 1HB SER 77 HB1 SER 77 -5.299 -7.342 5.687 195 2HB SER 77 HB2 SER 77 -4.634 -5.712 5.991 196 HG SER 77 HG1 SER 77 -7.403 -5.954 5.611 197 H LEU 78 HN LEU 78 -4.210 -3.961 3.712 198 HA LEU 78 HA LEU 78 -2.458 -3.489 2.373 199 1HB LEU 78 HB1 LEU 78 -2.035 -4.671 5.040 200 2HB LEU 78 HB2 LEU 78 -0.634 -4.883 4.098 201 HG LEU 78 HG LEU 78 -0.435 -2.778 5.302 202 1HD1 LEU 78 HD23 LEU 78 0.291 -2.962 2.731 203 2HD1 LEU 78 HD21 LEU 78 -1.075 -1.819 2.490 204 3HD1 LEU 78 HD22 LEU 78 0.084 -1.235 3.555 205 1HD2 LEU 78 HD11 LEU 78 -2.967 -2.060 3.763 206 2HD2 LEU 78 HD12 LEU 78 -2.567 -1.802 5.514 207 3HD2 LEU 78 HD13 LEU 78 -1.751 -0.801 4.287 208 H HIS 79 HN HSP 79 -1.482 -6.674 3.485 209 HA HIS 79 HA HSP 79 0.055 -7.153 1.123 210 1HB HIS 79 HB1 HSP 79 -0.669 -8.668 3.640 211 2HB HIS 79 HB2 HSP 79 -0.745 -9.746 2.241 212 HD1 HIS 79 HD1 HSP 79 1.300 -10.431 4.197 213 HD2 HIS 79 HD2 HSP 79 2.251 -7.428 1.526 214 HE1 HIS 79 HE1 HSP 79 3.763 -9.766 4.272 215 HE2 HIS 79 HE2 HSP 79 4.257 -8.435 2.358 216 H ASP 80 HN ASP 80 -3.083 -8.542 2.341 217 HA ASP 80 HA ASP 80 -3.500 -9.768 -0.228 218 1HB ASP 80 HB1 ASP 80 -5.417 -9.433 2.146 219 2HB ASP 80 HB2 ASP 80 -5.618 -10.561 0.732 220 H CYS 81 HN CYS 81 -3.702 -6.602 0.812 221 HA CYS 81 HA CYS 81 -6.076 -6.059 -0.842 222 1HB CYS 81 HB1 CYS 81 -5.477 -5.082 1.692 223 2HB CYS 81 HB2 CYS 81 -4.643 -3.938 0.758 224 HG1 CYS 81 HG1 CYS 81 -6.333 -3.378 -1.163 225 H LEU 82 HN LEU 82 -2.631 -5.725 -0.623 226 HA LEU 82 HA LEU 82 -2.456 -4.106 -3.047 227 1HB LEU 82 HB1 LEU 82 -0.445 -5.420 -1.089 228 2HB LEU 82 HB2 LEU 82 0.116 -4.590 -2.448 229 HG LEU 82 HG LEU 82 -0.781 -3.743 0.160 230 1HD1 LEU 82 HD11 LEU 82 1.243 -2.710 -1.246 231 2HD1 LEU 82 HD12 LEU 82 0.003 -1.874 -2.234 232 3HD1 LEU 82 HD13 LEU 82 0.188 -1.449 -0.482 233 1HD2 LEU 82 HD21 LEU 82 -2.539 -2.546 -1.891 234 2HD2 LEU 82 HD22 LEU 82 -2.879 -3.303 -0.280 235 3HD2 LEU 82 HD23 LEU 82 -2.098 -1.703 -0.326 236 H MET 83 HN MET 83 -2.012 -7.322 -1.925 237 HA MET 83 HA MET 83 -0.707 -8.459 -4.082 238 1HB MET 83 HB1 MET 83 -1.481 -9.619 -1.937 239 2HB MET 83 HB2 MET 83 -3.149 -9.309 -2.333 240 1HG MET 83 HG1 MET 83 -3.404 -10.823 -3.958 241 2HG MET 83 HG2 MET 83 -1.675 -10.914 -4.345 242 1HE MET 83 HE2 MET 83 0.114 -12.346 -3.090 243 2HE MET 83 HE3 MET 83 -0.082 -11.290 -1.652 244 3HE MET 83 HE1 MET 83 -0.090 -13.072 -1.464 245 H LYS 84 HN LYS 84 -3.807 -7.058 -3.899 246 HA LYS 84 HA LYS 84 -4.781 -7.768 -6.496 247 1HB LYS 84 HB1 LYS 84 -4.946 -5.277 -4.683 248 2HB LYS 84 HB2 LYS 84 -5.660 -5.248 -6.340 249 1HG LYS 84 HG1 LYS 84 -7.335 -5.736 -4.637 250 2HG LYS 84 HG2 LYS 84 -7.111 -7.012 -5.864 251 1HD LYS 84 HD1 LYS 84 -5.721 -8.347 -4.263 252 2HD LYS 84 HD2 LYS 84 -5.938 -7.110 -3.036 253 1HE LYS 84 HE1 LYS 84 -8.414 -7.630 -2.985 254 2HE LYS 84 HE2 LYS 84 -8.228 -8.728 -4.409 255 1HZ LYS 84 HZ1 LYS 84 -6.802 -9.097 -1.838 256 2HZ LYS 84 HZ2 LYS 84 -8.271 -9.858 -2.253 257 3HZ LYS 84 HZ3 LYS 84 -6.862 -10.156 -3.156 258 H ALA 85 HN ALA 85 -3.369 -4.945 -5.375 259 HA ALA 85 HA ALA 85 -2.957 -3.726 -7.778 260 1HB ALA 85 HB1 ALA 85 -2.697 -2.841 -5.198 261 2HB ALA 85 HB2 ALA 85 -1.010 -3.542 -5.244 262 3HB ALA 85 HB3 ALA 85 -1.415 -2.134 -6.283 263 H LEU 86 HN LEU 86 -0.713 -5.893 -6.203 264 HA LEU 86 HA LEU 86 1.455 -5.299 -8.177 265 1HB LEU 86 HB1 LEU 86 1.214 -7.241 -5.830 266 2HB LEU 86 HB2 LEU 86 2.635 -6.881 -6.603 267 HG LEU 86 HG LEU 86 0.869 -4.639 -5.346 268 1HD1 LEU 86 HD21 LEU 86 0.866 -6.237 -3.734 269 2HD1 LEU 86 HD22 LEU 86 2.664 -6.330 -3.721 270 3HD1 LEU 86 HD23 LEU 86 1.785 -4.778 -3.259 271 1HD2 LEU 86 HD12 LEU 86 2.557 -3.810 -6.789 272 2HD2 LEU 86 HD13 LEU 86 2.750 -3.285 -5.090 273 3HD2 LEU 86 HD11 LEU 86 3.847 -4.584 -5.776 274 H LYS 87 HN LYS 87 -0.683 -7.778 -7.041 275 HA LYS 87 HA LYS 87 -0.170 -9.732 -8.678 276 1HB LYS 87 HB1 LYS 87 -2.752 -8.635 -7.690 277 2HB LYS 87 HB2 LYS 87 -3.076 -8.914 -9.266 278 1HG LYS 87 HG1 LYS 87 -1.687 -11.304 -8.104 279 2HG LYS 87 HG2 LYS 87 -3.218 -10.895 -7.338 280 1HD LYS 87 HD1 LYS 87 -3.103 -10.889 -10.398 281 2HD LYS 87 HD2 LYS 87 -2.953 -12.479 -9.604 282 1HE LYS 87 HE1 LYS 87 -5.302 -12.131 -10.151 283 2HE LYS 87 HE2 LYS 87 -5.131 -12.029 -8.352 284 1HZ LYS 87 HZ2 LYS 87 -5.011 -9.615 -8.611 285 2HZ LYS 87 HZ3 LYS 87 -5.290 -9.772 -10.275 286 3HZ LYS 87 HZ1 LYS 87 -6.479 -10.271 -9.169 287 H VAL 88 HN VAL 88 -2.179 -7.055 -9.766 288 HA VAL 88 HA VAL 88 -2.301 -7.632 -12.424 289 HB VAL 88 HB VAL 88 -3.672 -5.835 -11.810 290 1HG1 VAL 88 HG13 VAL 88 -2.387 -5.446 -9.689 291 2HG1 VAL 88 HG11 VAL 88 -1.666 -4.059 -10.607 292 3HG1 VAL 88 HG12 VAL 88 -3.430 -4.161 -10.435 293 1HG2 VAL 88 HG22 VAL 88 -2.260 -4.929 -13.900 294 2HG2 VAL 88 HG23 VAL 88 -2.820 -3.620 -12.738 295 3HG2 VAL 88 HG21 VAL 88 -1.169 -4.147 -12.631 296 H ARG 89 HN ARG 89 0.353 -6.307 -10.639 297 HA ARG 89 HA ARG 89 1.873 -5.540 -12.980 298 1HB ARG 89 HB1 ARG 89 2.937 -5.912 -10.133 299 2HB ARG 89 HB2 ARG 89 3.602 -4.891 -11.381 300 1HG ARG 89 HG1 ARG 89 0.830 -4.518 -10.106 301 2HG ARG 89 HG2 ARG 89 2.249 -3.831 -9.450 302 1HD ARG 89 HD1 ARG 89 2.504 -2.742 -11.942 303 2HD ARG 89 HD2 ARG 89 0.767 -3.255 -12.100 304 HE ARG 89 HE ARG 89 0.477 -1.930 -9.845 305 1HH1 ARG 89 HH22 ARG 89 1.063 -1.289 -13.068 306 2HH1 ARG 89 HH21 ARG 89 0.718 0.404 -12.921 307 1HH2 ARG 89 HH12 ARG 89 0.636 0.403 -9.417 308 2HH2 ARG 89 HH11 ARG 89 0.381 1.345 -10.843 309 H GLY 90 HN GLY 90 1.997 -8.074 -10.444 310 1HA GLY 90 HA2 GLY 90 2.633 -10.291 -10.982 311 2HA GLY 90 HA1 GLY 90 3.751 -9.689 -12.246 312 H LEU 91 HN LEU 91 3.167 -8.212 -9.029 313 HA LEU 91 HA LEU 91 6.071 -8.586 -8.532 314 1HB LEU 91 HB1 LEU 91 4.077 -6.375 -7.824 315 2HB LEU 91 HB2 LEU 91 5.559 -6.593 -6.886 316 HG LEU 91 HG LEU 91 5.102 -5.211 -9.403 317 1HD1 LEU 91 HD23 LEU 91 6.506 -4.377 -7.510 318 2HD1 LEU 91 HD21 LEU 91 7.742 -5.639 -7.892 319 3HD1 LEU 91 HD22 LEU 91 7.364 -4.345 -9.095 320 1HD2 LEU 91 HD12 LEU 91 7.167 -7.429 -9.749 321 2HD2 LEU 91 HD13 LEU 91 5.611 -7.160 -10.694 322 3HD2 LEU 91 HD11 LEU 91 6.952 -5.997 -10.801 323 H GLN 92 HN GLN 92 6.574 -8.541 -6.111 324 HA GLN 92 HA GLN 92 4.560 -10.227 -4.734 325 1HB GLN 92 HB1 GLN 92 7.595 -10.129 -4.511 326 2HB GLN 92 HB2 GLN 92 6.582 -10.888 -3.311 327 1HG GLN 92 HG1 GLN 92 5.653 -12.015 -5.795 328 2HG GLN 92 HG2 GLN 92 7.314 -11.687 -6.167 329 1HE2 GLN 92 HE21 GLN 92 6.842 -14.695 -3.422 330 2HE2 GLN 92 HE22 GLN 92 5.511 -13.681 -3.668 331 HA PRO 93 HA PRO 93 4.869 -6.798 -2.029 332 1HB PRO 93 HB1 PRO 93 2.876 -7.564 -0.292 333 2HB PRO 93 HB2 PRO 93 2.599 -6.656 -1.735 334 1HG PRO 93 HG1 PRO 93 2.055 -9.529 -1.245 335 2HG PRO 93 HG2 PRO 93 1.262 -8.430 -2.355 336 1HD PRO 93 HD1 PRO 93 3.079 -10.377 -3.118 337 2HD PRO 93 HD2 PRO 93 2.794 -8.922 -4.051 338 H GLU 94 HN GLU 94 5.006 -10.269 -1.333 339 HA GLU 94 HA GLU 94 5.415 -9.984 1.454 340 1HB GLU 94 HB1 GLU 94 6.510 -12.316 -0.170 341 2HB GLU 94 HB2 GLU 94 6.005 -12.304 1.525 342 1HG GLU 94 HG1 GLU 94 4.092 -13.278 0.713 343 2HG GLU 94 HG2 GLU 94 3.599 -11.572 0.367 344 H CYS 95 HN CYS 95 7.442 -9.397 -1.290 345 HA CYS 95 HA CYS 95 9.877 -9.826 0.316 346 1HB CYS 95 HB1 CYS 95 9.375 -9.452 -2.670 347 2HB CYS 95 HB2 CYS 95 10.993 -9.526 -1.935 348 HG1 CYS 95 HG1 CYS 95 9.863 -11.834 -3.146 349 H CYS 96 HN CYS 96 7.747 -7.393 0.100 350 HA CYS 96 HA CYS 96 9.879 -5.368 -0.208 351 1HB CYS 96 HB1 CYS 96 6.895 -5.343 -1.017 352 2HB CYS 96 HB2 CYS 96 7.916 -3.941 -1.090 353 HG1 CYS 96 HG1 CYS 96 7.725 -6.537 -2.996 354 H ALA 97 HN ALA 97 8.892 -3.172 0.635 355 HA ALA 97 HA ALA 97 7.495 -3.682 3.184 356 1HB ALA 97 HB3 ALA 97 9.671 -1.560 2.808 357 2HB ALA 97 HB1 ALA 97 8.568 -1.696 4.193 358 3HB ALA 97 HB2 ALA 97 9.743 -3.025 3.914 359 H VAL 98 HN VAL 98 5.647 -2.501 3.287 360 HA VAL 98 HA VAL 98 5.222 -0.530 1.169 361 HB VAL 98 HB VAL 98 3.625 -2.382 1.252 362 1HG1 VAL 98 HG11 VAL 98 4.004 -2.314 4.037 363 2HG1 VAL 98 HG12 VAL 98 2.353 -1.786 3.802 364 3HG1 VAL 98 HG13 VAL 98 2.953 -3.377 3.053 365 1HG2 VAL 98 HG22 VAL 98 2.770 -0.119 0.657 366 2HG2 VAL 98 HG23 VAL 98 1.539 -1.224 1.409 367 3HG2 VAL 98 HG21 VAL 98 2.240 0.077 2.390 368 H PHE 99 HN PHE 99 4.187 1.490 1.686 369 HA PHE 99 HA PHE 99 4.594 2.383 4.474 370 1HB PHE 99 HB1 PHE 99 5.908 3.453 1.906 371 2HB PHE 99 HB2 PHE 99 5.702 4.477 3.310 372 HD1 PHE 99 HD1 PHE 99 7.170 1.323 1.934 373 HD2 PHE 99 HD2 PHE 99 7.282 4.006 5.285 374 HE1 PHE 99 HE1 PHE 99 9.464 0.691 2.428 375 HE2 PHE 99 HE2 PHE 99 9.415 3.149 5.885 376 HZ PHE 99 HZ PHE 99 10.678 2.190 3.947 377 H ARG 100 HN ARG 100 3.711 4.498 4.805 378 HA ARG 100 HA ARG 100 1.757 5.445 2.768 379 1HB ARG 100 HB1 ARG 100 2.343 6.219 5.614 380 2HB ARG 100 HB2 ARG 100 1.583 7.337 4.531 381 1HG ARG 100 HG1 ARG 100 -0.378 6.189 4.118 382 2HG ARG 100 HG2 ARG 100 0.277 4.637 4.620 383 1HD ARG 100 HD1 ARG 100 -0.882 4.943 6.510 384 2HD ARG 100 HD2 ARG 100 0.587 5.810 7.035 385 HE ARG 100 HE ARG 100 -1.946 7.134 5.945 386 1HH1 ARG 100 HH22 ARG 100 1.412 7.572 6.757 387 2HH1 ARG 100 HH21 ARG 100 1.271 9.307 6.863 388 1HH2 ARG 100 HH12 ARG 100 -2.210 9.359 6.332 389 2HH2 ARG 100 HH11 ARG 100 -0.805 10.299 6.776 390 H LEU 101 HN LEU 101 2.344 7.328 1.599 391 HA LEU 101 HA LEU 101 5.086 7.964 1.597 392 1HB LEU 101 HB1 LEU 101 2.557 9.319 0.377 393 2HB LEU 101 HB2 LEU 101 4.173 9.955 0.068 394 HG LEU 101 HG LEU 101 4.799 7.597 -0.821 395 1HD1 LEU 101 HD21 LEU 101 1.843 7.193 -0.549 396 2HD1 LEU 101 HD22 LEU 101 2.817 6.366 -1.807 397 3HD1 LEU 101 HD23 LEU 101 3.231 6.129 -0.063 398 1HD2 LEU 101 HD12 LEU 101 4.281 9.581 -2.375 399 2HD2 LEU 101 HD13 LEU 101 3.736 8.004 -3.058 400 3HD2 LEU 101 HD11 LEU 101 2.529 9.109 -2.314 401 H LEU 102 HN LEU 102 5.467 10.648 1.520 402 HA LEU 102 HA LEU 102 5.131 11.304 4.262 403 1HB LEU 102 HB1 LEU 102 6.376 13.409 3.411 404 2HB LEU 102 HB2 LEU 102 7.195 11.882 3.778 405 HG LEU 102 HG LEU 102 7.189 11.186 1.426 406 1HD1 LEU 102 HD23 LEU 102 5.088 12.422 0.739 407 2HD1 LEU 102 HD21 LEU 102 6.008 13.942 0.772 408 3HD1 LEU 102 HD22 LEU 102 6.501 12.629 -0.389 409 1HD2 LEU 102 HD13 LEU 102 9.129 12.338 2.263 410 2HD2 LEU 102 HD11 LEU 102 8.814 12.741 0.535 411 3HD2 LEU 102 HD12 LEU 102 8.408 13.940 1.832 412 H HIS 103 HN HSP 103 2.650 11.299 4.016 413 HA HIS 103 HA HSP 103 1.669 13.807 2.908 414 1HB HIS 103 HB1 HSP 103 0.338 11.581 4.532 415 2HB HIS 103 HB2 HSP 103 -0.496 13.097 4.041 416 HD1 HIS 103 HD1 HSP 103 -1.911 10.863 2.955 417 HD2 HIS 103 HD2 HSP 103 1.415 12.489 0.941 418 HE1 HIS 103 HE1 HSP 103 -2.200 10.398 0.492 419 HE2 HIS 103 HE2 HSP 103 -0.221 11.398 -0.707 420 H GLU 104 HN GLU 104 3.097 12.539 5.837 421 HA GLU 104 HA GLU 104 2.753 15.196 7.098 422 1HB GLU 104 HB1 GLU 104 2.083 14.477 9.168 423 2HB GLU 104 HB2 GLU 104 0.841 14.211 7.942 424 1HG GLU 104 HG1 GLU 104 2.777 11.992 8.912 425 2HG GLU 104 HG2 GLU 104 1.169 12.336 9.626 426 H HIS 105 HN HSP 105 4.998 13.842 5.702 427 HA HIS 105 HA HSP 105 6.784 13.915 7.989 428 1HB HIS 105 HB1 HSP 105 7.757 11.876 6.072 429 2HB HIS 105 HB2 HSP 105 7.833 11.899 7.821 430 HD1 HIS 105 HD1 HSP 105 5.066 11.462 8.755 431 HD2 HIS 105 HD2 HSP 105 6.242 9.920 5.045 432 HE1 HIS 105 HE1 HSP 105 3.402 9.650 8.129 433 HE2 HIS 105 HE2 HSP 105 4.039 8.909 5.805 434 H LYS 106 HN LYS 106 9.150 14.128 7.027 435 HA LYS 106 HA LYS 106 9.023 15.085 4.242 436 1HB LYS 106 HB1 LYS 106 10.469 16.162 6.714 437 2HB LYS 106 HB2 LYS 106 11.003 16.535 5.094 438 1HG LYS 106 HG1 LYS 106 9.620 18.342 5.288 439 2HG LYS 106 HG2 LYS 106 8.364 17.222 4.768 440 1HD LYS 106 HD1 LYS 106 8.049 16.692 7.353 441 2HD LYS 106 HD2 LYS 106 8.985 18.173 7.626 442 1HE LYS 106 HE1 LYS 106 6.415 17.989 5.896 443 2HE LYS 106 HE2 LYS 106 6.446 18.466 7.642 444 1HZ LYS 106 HZ3 LYS 106 7.880 19.840 5.440 445 2HZ LYS 106 HZ1 LYS 106 6.448 20.359 6.190 446 3HZ LYS 106 HZ2 LYS 106 7.895 20.279 7.078 447 H GLY 107 HN GLY 107 10.525 14.204 2.932 448 1HA GLY 107 HA2 GLY 107 12.559 13.421 2.411 449 2HA GLY 107 HA1 GLY 107 12.937 13.089 4.126 450 H LYS 108 HN LYS 108 10.727 11.425 4.889 451 HA LYS 108 HA LYS 108 11.565 9.033 3.349 452 1HB LYS 108 HB1 LYS 108 10.956 9.414 6.299 453 2HB LYS 108 HB2 LYS 108 11.331 7.856 5.475 454 1HG LYS 108 HG1 LYS 108 13.502 9.262 4.652 455 2HG LYS 108 HG2 LYS 108 13.232 10.021 6.243 456 1HD LYS 108 HD1 LYS 108 13.436 6.983 5.626 457 2HD LYS 108 HD2 LYS 108 14.795 7.981 6.179 458 1HE LYS 108 HE1 LYS 108 13.580 8.491 8.331 459 2HE LYS 108 HE2 LYS 108 12.212 7.436 7.784 460 1HZ LYS 108 HZ1 LYS 108 13.755 5.613 7.629 461 2HZ LYS 108 HZ2 LYS 108 15.035 6.599 8.146 462 3HZ LYS 108 HZ3 LYS 108 13.740 6.272 9.195 463 H LYS 109 HN LYS 109 9.833 7.428 4.910 464 HA LYS 109 HA LYS 109 7.114 8.300 4.189 465 1HB LYS 109 HB1 LYS 109 8.791 6.002 3.223 466 2HB LYS 109 HB2 LYS 109 7.490 5.480 3.638 467 1HG LYS 109 HG1 LYS 109 7.143 7.982 1.889 468 2HG LYS 109 HG2 LYS 109 8.667 7.313 1.492 469 1HD LYS 109 HD1 LYS 109 6.083 5.683 1.264 470 2HD LYS 109 HD2 LYS 109 6.885 6.448 -0.049 471 1HE LYS 109 HE1 LYS 109 8.295 4.385 1.768 472 2HE LYS 109 HE2 LYS 109 7.444 3.943 0.232 473 1HZ LYS 109 HZ3 LYS 109 8.914 5.577 -0.872 474 2HZ LYS 109 HZ1 LYS 109 9.793 5.717 0.590 475 3HZ LYS 109 HZ2 LYS 109 9.709 4.225 -0.268 476 H ALA 110 HN ALA 110 5.654 6.568 5.158 477 HA ALA 110 HA ALA 110 6.607 6.212 7.950 478 1HB ALA 110 HB1 ALA 110 3.748 6.795 7.180 479 2HB ALA 110 HB2 ALA 110 4.277 6.035 8.747 480 3HB ALA 110 HB3 ALA 110 4.820 7.687 8.346 481 H ARG 111 HN ARG 111 6.816 3.959 8.480 482 HA ARG 111 HA ARG 111 6.129 2.293 6.230 483 1HB ARG 111 HB1 ARG 111 8.440 2.604 7.510 484 2HB ARG 111 HB2 ARG 111 7.636 1.647 8.787 485 1HG ARG 111 HG1 ARG 111 7.650 0.609 5.926 486 2HG ARG 111 HG2 ARG 111 9.102 0.503 6.914 487 1HD ARG 111 HD1 ARG 111 7.193 -0.363 8.726 488 2HD ARG 111 HD2 ARG 111 6.396 -0.832 7.230 489 HE ARG 111 HE ARG 111 9.308 -1.691 7.594 490 1HH1 ARG 111 HH22 ARG 111 6.030 -2.589 8.246 491 2HH1 ARG 111 HH21 ARG 111 6.416 -4.282 8.289 492 1HH2 ARG 111 HH12 ARG 111 9.651 -3.883 6.926 493 2HH2 ARG 111 HH11 ARG 111 8.513 -5.023 7.605 494 H LEU 112 HN LEU 112 4.850 0.572 6.474 495 HA LEU 112 HA LEU 112 2.994 0.809 8.779 496 1HB LEU 112 HB1 LEU 112 2.422 -0.288 5.988 497 2HB LEU 112 HB2 LEU 112 1.240 0.172 7.272 498 HG LEU 112 HG LEU 112 3.029 2.183 5.929 499 1HD1 LEU 112 HD11 LEU 112 1.501 1.139 4.259 500 2HD1 LEU 112 HD12 LEU 112 0.098 1.559 5.305 501 3HD1 LEU 112 HD13 LEU 112 1.125 2.868 4.588 502 1HD2 LEU 112 HD21 LEU 112 0.573 2.431 7.732 503 2HD2 LEU 112 HD22 LEU 112 2.240 2.881 8.135 504 3HD2 LEU 112 HD23 LEU 112 1.403 3.810 6.826 505 H ASP 113 HN ASP 113 1.504 -1.467 7.946 506 HA ASP 113 HA ASP 113 3.441 -3.612 8.480 507 1HB ASP 113 HB1 ASP 113 1.763 -3.130 10.441 508 2HB ASP 113 HB2 ASP 113 0.551 -3.923 9.336 509 H TRP 114 HN TRP 114 2.973 -5.498 7.162 510 HA TRP 114 HA TRP 114 1.337 -5.134 5.191 511 1HB TRP 114 HB1 TRP 114 3.172 -7.380 6.307 512 2HB TRP 114 HB2 TRP 114 2.088 -7.917 5.006 513 HD1 TRP 114 HD1 TRP 114 5.293 -7.705 4.541 514 HE1 TRP 114 HE1 TRP 114 6.120 -6.345 2.462 515 HE3 TRP 114 HE3 TRP 114 1.049 -5.963 3.616 516 HZ2 TRP 114 HZ2 TRP 114 4.506 -5.298 0.204 517 HZ3 TRP 114 HZ3 TRP 114 0.464 -4.834 1.448 518 HH2 TRP 114 HH2 TRP 114 2.074 -4.818 -0.290 519 H ASN 115 HN ASN 115 0.528 -6.288 8.238 520 HA ASN 115 HA ASN 115 -1.931 -7.474 7.114 521 1HB ASN 115 HB1 ASN 115 -0.394 -7.965 9.474 522 2HB ASN 115 HB2 ASN 115 -1.686 -6.973 10.083 523 1HD2 ASN 115 HD21 ASN 115 -4.306 -9.347 9.167 524 2HD2 ASN 115 HD22 ASN 115 -3.979 -7.643 9.230 525 H THR 116 HN THR 116 -0.971 -4.540 6.925 526 HA THR 116 HA THR 116 -2.338 -3.420 9.022 527 HB THR 116 HB THR 116 -0.244 -2.423 7.428 528 HG1 THR 116 HG1 THR 116 -1.286 -1.400 9.753 529 1HG2 THR 116 HG21 THR 116 -2.734 -0.608 8.121 530 2HG2 THR 116 HG22 THR 116 -1.074 0.061 8.142 531 3HG2 THR 116 HG23 THR 116 -1.654 -0.496 6.601 532 H ASP 117 HN ASP 117 -4.333 -2.403 9.097 533 HA ASP 117 HA ASP 117 -6.349 -2.939 7.175 534 1HB ASP 117 HB1 ASP 117 -7.371 -0.860 8.479 535 2HB ASP 117 HB2 ASP 117 -7.425 -2.580 9.040 536 H ALA 118 HN ALA 118 -5.416 -2.305 5.213 537 HA ALA 118 HA ALA 118 -4.725 0.141 4.192 538 1HB ALA 118 HB1 ALA 118 -5.550 -2.354 3.220 539 2HB ALA 118 HB2 ALA 118 -7.042 -1.452 2.883 540 3HB ALA 118 HB3 ALA 118 -5.464 -0.912 2.142 541 H ALA 119 HN ALA 119 -7.880 -0.833 5.494 542 HA ALA 119 HA ALA 119 -9.474 1.328 4.410 543 1HB ALA 119 HB1 ALA 119 -9.142 -0.843 6.664 544 2HB ALA 119 HB2 ALA 119 -10.668 0.181 6.620 545 3HB ALA 119 HB3 ALA 119 -10.241 -0.947 5.273 546 H SER 120 HN SER 120 -6.931 1.196 6.839 547 HA SER 120 HA SER 120 -8.081 3.567 8.189 548 1HB SER 120 HB1 SER 120 -5.744 1.737 8.862 549 2HB SER 120 HB2 SER 120 -6.103 3.299 9.721 550 HG SER 120 HG1 SER 120 -7.008 1.013 10.314 551 H LEU 121 HN LEU 121 -5.973 2.583 5.645 552 HA LEU 121 HA LEU 121 -4.457 5.140 5.788 553 1HB LEU 121 HB1 LEU 121 -4.018 2.787 3.875 554 2HB LEU 121 HB2 LEU 121 -2.994 4.121 4.079 555 HG LEU 121 HG LEU 121 -1.824 2.586 5.409 556 1HD1 LEU 121 HD22 LEU 121 -2.786 4.527 6.940 557 2HD1 LEU 121 HD23 LEU 121 -3.847 3.295 7.593 558 3HD1 LEU 121 HD21 LEU 121 -2.048 3.034 7.726 559 1HD2 LEU 121 HD12 LEU 121 -4.561 1.371 5.767 560 2HD2 LEU 121 HD13 LEU 121 -3.001 0.577 5.351 561 3HD2 LEU 121 HD11 LEU 121 -3.385 1.085 7.082 562 H ILE 122 HN ILE 122 -7.070 3.817 4.861 563 HA ILE 122 HA ILE 122 -7.492 4.396 2.315 564 HB ILE 122 HB ILE 122 -9.164 3.519 4.233 565 1HG1 ILE 122 HG11 ILE 122 -10.985 3.304 2.685 566 2HG1 ILE 122 HG12 ILE 122 -10.072 4.303 1.512 567 1HG2 ILE 122 HG22 ILE 122 -9.788 5.777 5.084 568 2HG2 ILE 122 HG23 ILE 122 -10.478 6.153 3.436 569 3HG2 ILE 122 HG21 ILE 122 -11.201 4.856 4.416 570 1HD1 ILE 122 HD3 ILE 122 -8.507 2.009 2.593 571 2HD1 ILE 122 HD1 ILE 122 -10.020 1.539 1.731 572 3HD1 ILE 122 HD2 ILE 122 -8.877 2.490 0.844 573 H GLY 123 HN GLY 123 -8.227 5.978 1.054 574 1HA GLY 123 HA2 GLY 123 -8.226 8.082 0.206 575 2HA GLY 123 HA1 GLY 123 -8.558 8.634 1.885 576 H GLU 124 HN GLU 124 -5.616 6.860 0.721 577 HA GLU 124 HA GLU 124 -4.061 9.337 1.130 578 1HB GLU 124 HB1 GLU 124 -3.279 6.578 2.162 579 2HB GLU 124 HB2 GLU 124 -2.375 8.085 2.348 580 1HG GLU 124 HG1 GLU 124 -5.241 7.858 3.463 581 2HG GLU 124 HG2 GLU 124 -3.942 7.008 4.273 582 H GLU 125 HN GLU 125 -1.655 8.275 0.682 583 HA GLU 125 HA GLU 125 -1.846 6.818 -1.885 584 1HB GLU 125 HB1 GLU 125 0.219 8.937 -1.116 585 2HB GLU 125 HB2 GLU 125 0.533 7.698 -2.343 586 1HG GLU 125 HG1 GLU 125 -0.789 8.439 -3.964 587 2HG GLU 125 HG2 GLU 125 -2.023 9.060 -2.864 588 H LEU 126 HN LEU 126 -0.833 4.877 -1.820 589 HA LEU 126 HA LEU 126 0.958 4.491 0.464 590 1HB LEU 126 HB1 LEU 126 -0.530 2.399 -1.228 591 2HB LEU 126 HB2 LEU 126 0.764 1.973 -0.142 592 HG LEU 126 HG LEU 126 -2.044 2.457 0.510 593 1HD1 LEU 126 HD23 LEU 126 -0.720 0.451 1.217 594 2HD1 LEU 126 HD21 LEU 126 0.330 1.516 2.241 595 3HD1 LEU 126 HD22 LEU 126 -1.421 1.329 2.629 596 1HD2 LEU 126 HD13 LEU 126 -0.074 4.000 2.282 597 2HD2 LEU 126 HD11 LEU 126 -1.468 4.693 1.253 598 3HD2 LEU 126 HD12 LEU 126 -1.768 3.639 2.642 599 H GLN 127 HN GLN 127 2.932 3.298 0.082 600 HA GLN 127 HA GLN 127 3.693 3.134 -2.745 601 1HB GLN 127 HB1 GLN 127 4.640 5.360 -1.617 602 2HB GLN 127 HB2 GLN 127 5.705 4.258 -0.763 603 1HG GLN 127 HG1 GLN 127 5.808 3.507 -3.587 604 2HG GLN 127 HG2 GLN 127 5.744 5.351 -3.532 605 1HE2 GLN 127 HE21 GLN 127 9.179 3.615 -2.319 606 2HE2 GLN 127 HE22 GLN 127 7.849 2.637 -2.855 607 H VAL 128 HN VAL 128 5.380 1.539 -3.054 608 HA VAL 128 HA VAL 128 5.876 -0.066 -0.616 609 HB VAL 128 HB VAL 128 5.197 -1.013 -3.407 610 1HG1 VAL 128 HG13 VAL 128 6.456 -2.616 -1.089 611 2HG1 VAL 128 HG11 VAL 128 5.770 -3.315 -2.607 612 3HG1 VAL 128 HG12 VAL 128 7.228 -2.282 -2.703 613 1HG2 VAL 128 HG22 VAL 128 3.316 -0.755 -1.760 614 2HG2 VAL 128 HG23 VAL 128 3.602 -2.443 -2.323 615 3HG2 VAL 128 HG21 VAL 128 4.154 -1.933 -0.672 616 H ASP 129 HN ASP 129 7.978 -0.809 -0.360 617 HA ASP 129 HA ASP 129 9.879 0.086 -2.405 618 1HB ASP 129 HB1 ASP 129 9.478 1.380 0.174 619 2HB ASP 129 HB2 ASP 129 10.983 0.412 0.335 620 H PHE 130 HN PHE 130 12.237 -0.757 -1.144 621 HA PHE 130 HA PHE 130 11.833 -3.577 -1.334 622 1HB PHE 130 HB1 PHE 130 14.328 -3.657 -0.723 623 2HB PHE 130 HB2 PHE 130 13.901 -2.844 -2.260 624 HD1 PHE 130 HD2 PHE 130 13.984 -0.392 -2.460 625 HD2 PHE 130 HD1 PHE 130 15.032 -2.299 1.228 626 HE1 PHE 130 HE2 PHE 130 14.949 1.698 -1.645 627 HE2 PHE 130 HE1 PHE 130 16.003 -0.198 2.020 628 HZ PHE 130 HZ PHE 130 15.958 1.809 0.598 629 H LEU 131 HN LEU 131 12.543 -5.085 0.425 630 HA LEU 131 HA LEU 131 11.403 -4.646 2.755 631 1HB LEU 131 HB1 LEU 131 13.541 -6.571 1.890 632 2HB LEU 131 HB2 LEU 131 13.202 -6.407 3.668 633 HG LEU 131 HG LEU 131 10.927 -6.877 1.712 634 1HD1 LEU 131 HD22 LEU 131 12.808 -8.998 2.837 635 2HD1 LEU 131 HD23 LEU 131 11.144 -9.330 2.256 636 3HD1 LEU 131 HD21 LEU 131 12.405 -8.656 1.119 637 1HD2 LEU 131 HD12 LEU 131 10.388 -6.178 4.027 638 2HD2 LEU 131 HD13 LEU 131 9.788 -7.824 3.599 639 3HD2 LEU 131 HD11 LEU 131 11.253 -7.635 4.648 640 H ASP 132 HN ASP 132 11.788 -3.220 3.945 641 HA ASP 132 HA ASP 132 14.035 -1.750 4.382 642 1HB ASP 132 HB1 ASP 132 12.976 -0.584 6.318 643 2HB ASP 132 HB2 ASP 132 11.868 -0.737 4.898 No H/Q in entry = 643 Start of MODEL 20 1 1H SER 55 HT2 SER 55 -14.238 7.655 2.596 2 2H SER 55 HT1 SER 55 -12.597 7.989 2.713 3 3H SER 55 HT3 SER 55 -13.637 9.135 1.993 4 HA SER 55 HA SER 55 -14.013 7.814 0.151 5 1HB SER 55 HB1 SER 55 -11.665 8.984 0.424 6 2HB SER 55 HB2 SER 55 -11.028 7.347 0.768 7 HG SER 55 HG1 SER 55 -12.222 8.402 -1.573 8 H ASN 56 HN ASN 56 -12.671 5.768 -1.004 9 HA ASN 56 HA ASN 56 -12.554 3.559 0.899 10 1HB ASN 56 HB1 ASN 56 -14.928 3.632 -0.173 11 2HB ASN 56 HB2 ASN 56 -14.107 3.261 -1.735 12 1HD2 ASN 56 HD21 ASN 56 -13.644 -0.185 -0.796 13 2HD2 ASN 56 HD22 ASN 56 -13.355 1.059 -1.963 14 H THR 57 HN THR 57 -10.841 5.454 -0.842 15 HA THR 57 HA THR 57 -9.714 3.398 -2.658 16 HB THR 57 HB THR 57 -9.126 5.134 -4.232 17 HG1 THR 57 HG1 THR 57 -10.572 6.854 -2.472 18 1HG2 THR 57 HG21 THR 57 -11.418 4.151 -4.508 19 2HG2 THR 57 HG22 THR 57 -12.094 5.460 -3.461 20 3HG2 THR 57 HG23 THR 57 -11.332 5.874 -5.044 21 H ILE 58 HN ILE 58 -7.459 3.318 -2.792 22 HA ILE 58 HA ILE 58 -5.969 5.342 -1.349 23 HB ILE 58 HB ILE 58 -4.986 2.544 -0.831 24 1HG1 ILE 58 HG11 ILE 58 -6.354 2.510 1.368 25 2HG1 ILE 58 HG12 ILE 58 -7.517 3.528 0.523 26 1HG2 ILE 58 HG21 ILE 58 -3.715 4.499 -0.038 27 2HG2 ILE 58 HG22 ILE 58 -5.116 5.039 0.951 28 3HG2 ILE 58 HG23 ILE 58 -4.311 3.474 1.330 29 1HD1 ILE 58 HD2 ILE 58 -7.451 1.643 -1.358 30 2HD1 ILE 58 HD3 ILE 58 -6.536 0.670 -0.148 31 3HD1 ILE 58 HD1 ILE 58 -8.223 1.223 0.210 32 H ARG 59 HN ARG 59 -3.539 5.259 -2.092 33 HA ARG 59 HA ARG 59 -3.615 4.120 -4.809 34 1HB ARG 59 HB1 ARG 59 -2.126 6.392 -3.452 35 2HB ARG 59 HB2 ARG 59 -1.600 5.685 -5.009 36 1HG ARG 59 HG1 ARG 59 -2.839 7.495 -5.645 37 2HG ARG 59 HG2 ARG 59 -3.916 6.132 -5.957 38 1HD ARG 59 HD1 ARG 59 -5.379 7.703 -4.974 39 2HD ARG 59 HD2 ARG 59 -4.914 6.709 -3.542 40 HE ARG 59 HE ARG 59 -3.455 9.283 -4.286 41 1HH1 ARG 59 HH22 ARG 59 -6.242 8.071 -2.725 42 2HH1 ARG 59 HH21 ARG 59 -6.387 9.471 -1.716 43 1HH2 ARG 59 HH12 ARG 59 -3.255 10.846 -2.605 44 2HH2 ARG 59 HH11 ARG 59 -4.705 11.046 -1.656 45 H VAL 60 HN VAL 60 -1.600 3.228 -5.572 46 HA VAL 60 HA VAL 60 0.206 2.354 -3.420 47 HB VAL 60 HB VAL 60 -0.564 0.350 -5.545 48 1HG1 VAL 60 HG11 VAL 60 1.559 0.069 -4.223 49 2HG1 VAL 60 HG12 VAL 60 0.567 -0.052 -2.731 50 3HG1 VAL 60 HG13 VAL 60 0.362 -1.282 -4.044 51 1HG2 VAL 60 HG22 VAL 60 -1.968 0.608 -2.839 52 2HG2 VAL 60 HG23 VAL 60 -2.705 0.793 -4.480 53 3HG2 VAL 60 HG21 VAL 60 -2.053 -0.807 -3.960 54 H PHE 61 HN PHE 61 2.064 3.256 -4.029 55 HA PHE 61 HA PHE 61 2.599 3.594 -6.910 56 1HB PHE 61 HB1 PHE 61 3.675 4.814 -4.356 57 2HB PHE 61 HB2 PHE 61 4.637 4.875 -5.943 58 HD1 PHE 61 HD1 PHE 61 1.084 5.347 -4.673 59 HD2 PHE 61 HD2 PHE 61 4.260 6.831 -7.132 60 HE1 PHE 61 HE1 PHE 61 -0.185 7.377 -5.104 61 HE2 PHE 61 HE2 PHE 61 2.989 8.886 -7.504 62 HZ PHE 61 HZ PHE 61 0.796 9.193 -6.420 63 H LEU 62 HN LEU 62 4.521 2.672 -7.918 64 HA LEU 62 HA LEU 62 5.239 0.248 -6.400 65 1HB LEU 62 HB1 LEU 62 5.631 1.108 -9.296 66 2HB LEU 62 HB2 LEU 62 6.366 -0.352 -8.632 67 HG LEU 62 HG LEU 62 3.807 -0.197 -9.779 68 1HD1 LEU 62 HD13 LEU 62 5.147 -2.374 -8.154 69 2HD1 LEU 62 HD11 LEU 62 3.615 -2.567 -9.090 70 3HD1 LEU 62 HD12 LEU 62 5.141 -2.117 -9.950 71 1HD2 LEU 62 HD22 LEU 62 2.744 0.761 -7.839 72 2HD2 LEU 62 HD23 LEU 62 2.213 -0.908 -8.110 73 3HD2 LEU 62 HD21 LEU 62 3.389 -0.611 -6.793 74 HA PRO 63 HA PRO 63 9.216 1.871 -5.881 75 1HB PRO 63 HB1 PRO 63 10.515 -0.693 -6.383 76 2HB PRO 63 HB2 PRO 63 10.456 0.236 -4.913 77 1HG PRO 63 HG1 PRO 63 9.009 -2.136 -5.549 78 2HG PRO 63 HG2 PRO 63 8.787 -1.181 -4.131 79 1HD PRO 63 HD1 PRO 63 6.884 -1.457 -6.195 80 2HD PRO 63 HD2 PRO 63 6.826 -0.290 -4.946 81 H ASN 64 HN ASN 64 8.121 0.109 -8.702 82 HA ASN 64 HA ASN 64 10.438 0.862 -10.265 83 1HB ASN 64 HB1 ASN 64 7.708 -0.121 -11.262 84 2HB ASN 64 HB2 ASN 64 9.273 -0.106 -12.170 85 1HD2 ASN 64 HD21 ASN 64 10.376 -3.176 -10.732 86 2HD2 ASN 64 HD22 ASN 64 10.659 -1.892 -11.858 87 H LYS 65 HN LYS 65 8.565 2.832 -8.741 88 HA LYS 65 HA LYS 65 8.060 4.915 -9.052 89 1HB LYS 65 HB1 LYS 65 8.678 4.793 -12.043 90 2HB LYS 65 HB2 LYS 65 8.635 6.234 -10.996 91 1HG LYS 65 HG1 LYS 65 10.634 3.944 -10.535 92 2HG LYS 65 HG2 LYS 65 10.955 5.222 -11.711 93 1HD LYS 65 HD1 LYS 65 11.103 6.931 -10.047 94 2HD LYS 65 HD2 LYS 65 10.190 5.996 -8.844 95 1HE LYS 65 HE1 LYS 65 12.066 4.366 -8.598 96 2HE LYS 65 HE2 LYS 65 13.038 5.320 -9.794 97 1HZ LYS 65 HZ3 LYS 65 12.831 7.222 -8.344 98 2HZ LYS 65 HZ1 LYS 65 11.927 6.319 -7.228 99 3HZ LYS 65 HZ2 LYS 65 13.544 5.908 -7.536 100 H GLN 66 HN GLN 66 6.597 2.352 -10.511 101 HA GLN 66 HA GLN 66 4.564 3.755 -11.711 102 1HB GLN 66 HB1 GLN 66 5.130 0.870 -11.145 103 2HB GLN 66 HB2 GLN 66 3.407 1.216 -11.203 104 1HG GLN 66 HG1 GLN 66 5.497 2.006 -13.351 105 2HG GLN 66 HG2 GLN 66 4.675 0.428 -13.327 106 1HE2 GLN 66 HE21 GLN 66 1.492 1.791 -14.390 107 2HE2 GLN 66 HE22 GLN 66 2.282 0.432 -13.678 108 H ARG 67 HN ARG 67 2.118 2.874 -11.123 109 HA ARG 67 HA ARG 67 1.677 2.810 -8.396 110 1HB ARG 67 HB1 ARG 67 0.376 5.096 -8.371 111 2HB ARG 67 HB2 ARG 67 2.151 5.212 -8.328 112 1HG ARG 67 HG1 ARG 67 1.103 5.156 -11.106 113 2HG ARG 67 HG2 ARG 67 0.418 6.466 -10.152 114 1HD ARG 67 HD1 ARG 67 2.722 7.265 -9.526 115 2HD ARG 67 HD2 ARG 67 3.440 5.889 -10.456 116 HE ARG 67 HE ARG 67 1.612 7.918 -11.791 117 1HH1 ARG 67 HH22 ARG 67 4.925 6.871 -11.227 118 2HH1 ARG 67 HH21 ARG 67 5.545 8.130 -12.219 119 1HH2 ARG 67 HH12 ARG 67 2.457 8.861 -13.705 120 2HH2 ARG 67 HH11 ARG 67 4.150 9.210 -13.698 121 H THR 68 HN THR 68 -0.775 3.161 -7.941 122 HA THR 68 HA THR 68 -2.518 3.100 -10.185 123 HB THR 68 HB THR 68 -1.714 0.725 -10.346 124 HG1 THR 68 HG1 THR 68 -3.862 -0.164 -9.918 125 1HG2 THR 68 HG22 THR 68 -1.107 0.374 -7.936 126 2HG2 THR 68 HG23 THR 68 -2.866 0.364 -7.522 127 3HG2 THR 68 HG21 THR 68 -2.184 -0.908 -8.607 128 H VAL 69 HN VAL 69 -4.838 2.643 -9.283 129 HA VAL 69 HA VAL 69 -4.908 3.527 -6.457 130 HB VAL 69 HB VAL 69 -7.175 4.190 -8.320 131 1HG1 VAL 69 HG12 VAL 69 -6.158 5.484 -5.744 132 2HG1 VAL 69 HG13 VAL 69 -7.588 6.003 -6.723 133 3HG1 VAL 69 HG11 VAL 69 -7.581 4.388 -5.926 134 1HG2 VAL 69 HG21 VAL 69 -4.696 5.962 -7.978 135 2HG2 VAL 69 HG22 VAL 69 -5.328 5.241 -9.511 136 3HG2 VAL 69 HG23 VAL 69 -6.292 6.489 -8.647 137 H VAL 70 HN VAL 70 -6.242 2.267 -5.172 138 HA VAL 70 HA VAL 70 -7.801 0.200 -6.599 139 HB VAL 70 HB VAL 70 -7.039 -1.439 -4.911 140 1HG1 VAL 70 HG12 VAL 70 -5.932 -1.261 -7.186 141 2HG1 VAL 70 HG13 VAL 70 -4.646 -0.273 -6.409 142 3HG1 VAL 70 HG11 VAL 70 -4.935 -1.993 -5.877 143 1HG2 VAL 70 HG23 VAL 70 -5.013 0.720 -4.092 144 2HG2 VAL 70 HG21 VAL 70 -6.334 0.021 -3.074 145 3HG2 VAL 70 HG22 VAL 70 -4.963 -1.021 -3.611 146 H ASN 71 HN ASN 71 -9.354 -0.874 -5.113 147 HA ASN 71 HA ASN 71 -10.314 1.060 -3.083 148 1HB ASN 71 HB1 ASN 71 -11.840 -0.992 -4.798 149 2HB ASN 71 HB2 ASN 71 -12.536 -0.210 -3.332 150 1HD2 ASN 71 HD21 ASN 71 -12.164 1.979 -6.803 151 2HD2 ASN 71 HD22 ASN 71 -11.450 0.409 -6.675 152 H VAL 72 HN VAL 72 -10.943 0.123 -1.048 153 HA VAL 72 HA VAL 72 -9.789 -2.592 -0.660 154 HB VAL 72 HB VAL 72 -8.632 -0.758 0.570 155 1HG1 VAL 72 HG11 VAL 72 -10.569 0.731 1.005 156 2HG1 VAL 72 HG12 VAL 72 -11.274 -0.516 2.111 157 3HG1 VAL 72 HG13 VAL 72 -9.707 0.227 2.533 158 1HG2 VAL 72 HG21 VAL 72 -8.717 -3.169 1.343 159 2HG2 VAL 72 HG22 VAL 72 -8.359 -1.897 2.574 160 3HG2 VAL 72 HG23 VAL 72 -9.972 -2.604 2.558 161 H ARG 73 HN ARG 73 -10.942 -3.581 1.410 162 HA ARG 73 HA ARG 73 -13.605 -2.771 1.732 163 1HB ARG 73 HB1 ARG 73 -13.086 -4.968 -0.204 164 2HB ARG 73 HB2 ARG 73 -14.020 -5.578 1.152 165 1HG ARG 73 HG1 ARG 73 -14.753 -3.254 -0.746 166 2HG ARG 73 HG2 ARG 73 -15.537 -4.832 -0.628 167 1HD ARG 73 HD1 ARG 73 -17.078 -3.631 0.596 168 2HD ARG 73 HD2 ARG 73 -15.971 -4.098 1.948 169 HE ARG 73 HE ARG 73 -15.642 -1.477 0.409 170 1HH1 ARG 73 HH22 ARG 73 -16.929 -3.006 3.310 171 2HH1 ARG 73 HH21 ARG 73 -17.505 -1.499 3.897 172 1HH2 ARG 73 HH12 ARG 73 -15.484 0.410 1.759 173 2HH2 ARG 73 HH11 ARG 73 -16.627 0.456 3.058 174 H ASN 74 HN ASN 74 -14.635 -4.993 3.094 175 HA ASN 74 HA ASN 74 -12.832 -4.965 5.333 176 1HB ASN 74 HB1 ASN 74 -15.353 -6.651 5.123 177 2HB ASN 74 HB2 ASN 74 -14.564 -6.033 6.591 178 1HD2 ASN 74 HD21 ASN 74 -16.024 -2.731 6.300 179 2HD2 ASN 74 HD22 ASN 74 -14.794 -3.680 7.059 180 H GLY 75 HN GLY 75 -11.202 -6.363 5.506 181 1HA GLY 75 HA2 GLY 75 -10.411 -8.443 5.821 182 2HA GLY 75 HA1 GLY 75 -11.678 -9.162 4.780 183 H MET 76 HN MET 76 -9.597 -6.347 3.877 184 HA MET 76 HA MET 76 -8.407 -8.040 1.812 185 1HB MET 76 HB1 MET 76 -8.246 -5.016 2.208 186 2HB MET 76 HB2 MET 76 -7.523 -5.907 0.929 187 1HG MET 76 HG1 MET 76 -10.501 -5.636 1.798 188 2HG MET 76 HG2 MET 76 -9.753 -4.735 0.434 189 1HE MET 76 HE3 MET 76 -8.713 -5.696 -1.682 190 2HE MET 76 HE1 MET 76 -7.821 -7.103 -1.002 191 3HE MET 76 HE2 MET 76 -8.982 -7.346 -2.337 192 H SER 77 HN SER 77 -7.347 -5.549 4.180 193 HA SER 77 HA SER 77 -5.348 -5.337 5.299 194 1HB SER 77 HB1 SER 77 -4.566 -8.123 4.471 195 2HB SER 77 HB2 SER 77 -3.967 -7.201 5.774 196 HG SER 77 HG1 SER 77 -6.505 -8.425 5.545 197 H LEU 78 HN LEU 78 -3.298 -4.727 4.937 198 HA LEU 78 HA LEU 78 -2.583 -3.812 2.617 199 1HB LEU 78 HB1 LEU 78 -0.999 -4.710 4.991 200 2HB LEU 78 HB2 LEU 78 -0.040 -4.471 3.504 201 HG LEU 78 HG LEU 78 -0.085 -2.448 4.896 202 1HD1 LEU 78 HD21 LEU 78 -0.159 -2.640 2.125 203 2HD1 LEU 78 HD22 LEU 78 -1.686 -1.769 2.425 204 3HD1 LEU 78 HD23 LEU 78 -0.312 -0.968 3.065 205 1HD2 LEU 78 HD12 LEU 78 -2.956 -2.298 3.928 206 2HD2 LEU 78 HD13 LEU 78 -2.351 -2.348 5.580 207 3HD2 LEU 78 HD11 LEU 78 -1.973 -0.903 4.538 208 H HIS 79 HN HSP 79 -1.145 -6.864 3.729 209 HA HIS 79 HA HSP 79 0.132 -7.554 1.533 210 1HB HIS 79 HB1 HSP 79 -1.031 -9.113 3.794 211 2HB HIS 79 HB2 HSP 79 -0.937 -10.086 2.341 212 HD1 HIS 79 HD1 HSP 79 0.800 -10.600 4.837 213 HD2 HIS 79 HD2 HSP 79 2.239 -8.183 1.777 214 HE1 HIS 79 HE1 HSP 79 3.321 -10.158 5.022 215 HE2 HIS 79 HE2 HSP 79 4.090 -9.260 2.938 216 H ASP 80 HN ASP 80 -3.208 -8.878 2.186 217 HA ASP 80 HA ASP 80 -3.310 -9.921 -0.441 218 1HB ASP 80 HB1 ASP 80 -5.717 -9.457 1.364 219 2HB ASP 80 HB2 ASP 80 -5.528 -10.660 0.059 220 H CYS 81 HN CYS 81 -4.136 -6.832 1.041 221 HA CYS 81 HA CYS 81 -5.856 -6.038 -1.064 222 1HB CYS 81 HB1 CYS 81 -5.444 -5.126 1.472 223 2HB CYS 81 HB2 CYS 81 -4.255 -4.118 0.708 224 HG1 CYS 81 HG1 CYS 81 -5.786 -3.201 -1.292 225 H LEU 82 HN LEU 82 -2.431 -5.814 -0.503 226 HA LEU 82 HA LEU 82 -1.968 -4.193 -2.755 227 1HB LEU 82 HB1 LEU 82 -0.370 -5.619 -0.571 228 2HB LEU 82 HB2 LEU 82 0.517 -5.120 -1.987 229 HG LEU 82 HG LEU 82 -0.432 -3.044 -2.035 230 1HD1 LEU 82 HD12 LEU 82 -2.364 -3.034 -1.188 231 2HD1 LEU 82 HD13 LEU 82 -1.726 -3.235 0.496 232 3HD1 LEU 82 HD11 LEU 82 -1.391 -1.700 -0.435 233 1HD2 LEU 82 HD21 LEU 82 1.902 -3.433 -1.493 234 2HD2 LEU 82 HD22 LEU 82 1.276 -1.874 -0.952 235 3HD2 LEU 82 HD23 LEU 82 1.447 -3.118 0.293 236 H MET 83 HN MET 83 -1.051 -7.373 -1.834 237 HA MET 83 HA MET 83 0.108 -8.385 -4.160 238 1HB MET 83 HB1 MET 83 -0.235 -9.547 -1.898 239 2HB MET 83 HB2 MET 83 -1.921 -9.515 -2.119 240 1HG MET 83 HG1 MET 83 -1.703 -11.611 -2.649 241 2HG MET 83 HG2 MET 83 -2.001 -10.836 -4.142 242 1HE MET 83 HE3 MET 83 1.197 -11.470 -1.734 243 2HE MET 83 HE1 MET 83 0.430 -13.057 -2.062 244 3HE MET 83 HE2 MET 83 2.073 -12.720 -2.684 245 H LYS 84 HN LYS 84 -3.274 -7.543 -3.488 246 HA LYS 84 HA LYS 84 -4.541 -8.440 -5.925 247 1HB LYS 84 HB1 LYS 84 -5.694 -8.247 -4.036 248 2HB LYS 84 HB2 LYS 84 -4.946 -6.703 -3.608 249 1HG LYS 84 HG1 LYS 84 -6.527 -7.056 -6.175 250 2HG LYS 84 HG2 LYS 84 -7.245 -6.588 -4.539 251 1HD LYS 84 HD1 LYS 84 -5.424 -4.754 -4.527 252 2HD LYS 84 HD2 LYS 84 -5.612 -4.871 -6.294 253 1HE LYS 84 HE1 LYS 84 -7.227 -3.349 -6.010 254 2HE LYS 84 HE2 LYS 84 -8.170 -4.890 -5.934 255 1HZ LYS 84 HZ3 LYS 84 -7.111 -3.474 -3.548 256 2HZ LYS 84 HZ1 LYS 84 -8.689 -3.285 -4.143 257 3HZ LYS 84 HZ2 LYS 84 -8.166 -4.800 -3.586 258 H ALA 85 HN ALA 85 -3.231 -5.264 -4.704 259 HA ALA 85 HA ALA 85 -3.824 -4.093 -7.221 260 1HB ALA 85 HB1 ALA 85 -3.519 -3.091 -4.702 261 2HB ALA 85 HB2 ALA 85 -1.718 -3.261 -4.993 262 3HB ALA 85 HB3 ALA 85 -2.665 -2.105 -5.973 263 H LEU 86 HN LEU 86 -1.134 -5.916 -6.186 264 HA LEU 86 HA LEU 86 0.613 -4.871 -8.411 265 1HB LEU 86 HB1 LEU 86 1.264 -6.729 -6.120 266 2HB LEU 86 HB2 LEU 86 2.349 -5.932 -7.082 267 HG LEU 86 HG LEU 86 0.311 -4.207 -5.547 268 1HD1 LEU 86 HD22 LEU 86 1.142 -5.883 -4.040 269 2HD1 LEU 86 HD23 LEU 86 2.733 -5.015 -4.079 270 3HD1 LEU 86 HD21 LEU 86 1.161 -4.179 -3.571 271 1HD2 LEU 86 HD13 LEU 86 1.592 -3.127 -7.269 272 2HD2 LEU 86 HD11 LEU 86 1.764 -2.425 -5.634 273 3HD2 LEU 86 HD12 LEU 86 3.107 -3.461 -6.334 274 H LYS 87 HN LYS 87 -0.799 -7.701 -6.921 275 HA LYS 87 HA LYS 87 -0.268 -9.577 -8.713 276 1HB LYS 87 HB1 LYS 87 -2.861 -8.848 -7.355 277 2HB LYS 87 HB2 LYS 87 -3.267 -9.342 -8.818 278 1HG LYS 87 HG1 LYS 87 -1.286 -11.240 -7.529 279 2HG LYS 87 HG2 LYS 87 -2.879 -11.165 -6.848 280 1HD LYS 87 HD1 LYS 87 -3.666 -12.529 -8.557 281 2HD LYS 87 HD2 LYS 87 -3.275 -11.248 -9.730 282 1HE LYS 87 HE1 LYS 87 -1.291 -13.414 -8.764 283 2HE LYS 87 HE2 LYS 87 -2.190 -13.415 -10.335 284 1HZ LYS 87 HZ3 LYS 87 -1.152 -11.122 -10.630 285 2HZ LYS 87 HZ1 LYS 87 -0.072 -11.590 -9.415 286 3HZ LYS 87 HZ2 LYS 87 -0.179 -12.504 -10.844 287 H VAL 88 HN VAL 88 -2.811 -7.258 -9.255 288 HA VAL 88 HA VAL 88 -3.368 -7.728 -11.856 289 HB VAL 88 HB VAL 88 -4.636 -6.183 -10.325 290 1HG1 VAL 88 HG11 VAL 88 -2.483 -4.983 -9.533 291 2HG1 VAL 88 HG12 VAL 88 -2.717 -3.940 -11.002 292 3HG1 VAL 88 HG13 VAL 88 -4.006 -3.986 -9.818 293 1HG2 VAL 88 HG23 VAL 88 -5.101 -5.918 -12.775 294 2HG2 VAL 88 HG21 VAL 88 -5.219 -4.354 -11.849 295 3HG2 VAL 88 HG22 VAL 88 -3.779 -4.642 -12.834 296 H ARG 89 HN ARG 89 -0.574 -5.933 -10.580 297 HA ARG 89 HA ARG 89 0.326 -5.118 -13.188 298 1HB ARG 89 HB1 ARG 89 1.740 -5.294 -10.471 299 2HB ARG 89 HB2 ARG 89 2.322 -4.428 -11.856 300 1HG ARG 89 HG1 ARG 89 -0.243 -3.405 -11.575 301 2HG ARG 89 HG2 ARG 89 -0.006 -3.861 -9.971 302 1HD ARG 89 HD1 ARG 89 1.635 -2.375 -9.414 303 2HD ARG 89 HD2 ARG 89 2.387 -2.394 -11.063 304 HE ARG 89 HE ARG 89 -0.134 -0.869 -10.309 305 1HH1 ARG 89 HH22 ARG 89 1.384 -2.408 -12.937 306 2HH1 ARG 89 HH21 ARG 89 0.726 -1.313 -14.103 307 1HH2 ARG 89 HH12 ARG 89 -0.302 1.077 -11.796 308 2HH2 ARG 89 HH11 ARG 89 -0.462 0.544 -13.406 309 H GLY 90 HN GLY 90 1.134 -7.551 -10.753 310 1HA GLY 90 HA2 GLY 90 1.763 -9.738 -11.424 311 2HA GLY 90 HA1 GLY 90 2.646 -9.081 -12.837 312 H LEU 91 HN LEU 91 2.648 -7.643 -9.568 313 HA LEU 91 HA LEU 91 5.568 -8.128 -9.494 314 1HB LEU 91 HB1 LEU 91 3.682 -5.998 -8.423 315 2HB LEU 91 HB2 LEU 91 5.250 -6.254 -7.637 316 HG LEU 91 HG LEU 91 4.636 -4.576 -9.782 317 1HD1 LEU 91 HD22 LEU 91 6.686 -4.389 -8.360 318 2HD1 LEU 91 HD23 LEU 91 7.414 -5.800 -9.231 319 3HD1 LEU 91 HD21 LEU 91 7.072 -4.262 -10.112 320 1HD2 LEU 91 HD11 LEU 91 4.235 -6.236 -11.406 321 2HD2 LEU 91 HD12 LEU 91 5.709 -5.313 -11.807 322 3HD2 LEU 91 HD13 LEU 91 5.904 -6.961 -11.140 323 H GLN 92 HN GLN 92 6.392 -8.153 -7.093 324 HA GLN 92 HA GLN 92 4.661 -10.039 -5.614 325 1HB GLN 92 HB1 GLN 92 7.673 -9.725 -5.351 326 2HB GLN 92 HB2 GLN 92 6.657 -11.035 -4.729 327 1HG GLN 92 HG1 GLN 92 7.032 -10.371 -7.759 328 2HG GLN 92 HG2 GLN 92 8.146 -11.385 -6.888 329 1HE2 GLN 92 HE21 GLN 92 4.270 -12.916 -7.235 330 2HE2 GLN 92 HE22 GLN 92 4.476 -11.204 -7.154 331 HA PRO 93 HA PRO 93 5.229 -6.888 -2.603 332 1HB PRO 93 HB1 PRO 93 3.397 -7.704 -0.848 333 2HB PRO 93 HB2 PRO 93 2.916 -7.056 -2.413 334 1HG PRO 93 HG1 PRO 93 2.972 -9.911 -1.534 335 2HG PRO 93 HG2 PRO 93 1.790 -9.083 -2.498 336 1HD PRO 93 HD1 PRO 93 3.767 -10.697 -3.549 337 2HD PRO 93 HD2 PRO 93 3.122 -9.355 -4.445 338 H GLU 94 HN GLU 94 5.656 -10.374 -2.061 339 HA GLU 94 HA GLU 94 5.844 -10.171 0.731 340 1HB GLU 94 HB1 GLU 94 7.136 -12.376 -0.948 341 2HB GLU 94 HB2 GLU 94 6.675 -12.464 0.757 342 1HG GLU 94 HG1 GLU 94 4.789 -13.495 -0.009 343 2HG GLU 94 HG2 GLU 94 4.204 -11.808 -0.305 344 H CYS 95 HN CYS 95 8.116 -9.394 -1.790 345 HA CYS 95 HA CYS 95 10.396 -9.740 0.041 346 1HB CYS 95 HB1 CYS 95 10.199 -9.055 -2.929 347 2HB CYS 95 HB2 CYS 95 11.718 -9.141 -2.009 348 HG1 CYS 95 HG1 CYS 95 11.340 -11.643 -1.167 349 H CYS 96 HN CYS 96 8.079 -7.499 -0.199 350 HA CYS 96 HA CYS 96 9.986 -5.240 -0.231 351 1HB CYS 96 HB1 CYS 96 7.081 -5.491 -1.248 352 2HB CYS 96 HB2 CYS 96 7.952 -3.998 -1.210 353 HG1 CYS 96 HG1 CYS 96 7.799 -5.253 -3.670 354 H ALA 97 HN ALA 97 8.764 -3.214 0.622 355 HA ALA 97 HA ALA 97 7.137 -3.916 2.977 356 1HB ALA 97 HB3 ALA 97 9.450 -1.897 2.898 357 2HB ALA 97 HB1 ALA 97 8.127 -1.815 4.083 358 3HB ALA 97 HB2 ALA 97 9.149 -3.260 4.118 359 H VAL 98 HN VAL 98 5.342 -2.623 3.110 360 HA VAL 98 HA VAL 98 5.053 -0.564 1.038 361 HB VAL 98 HB VAL 98 3.311 -2.222 0.969 362 1HG1 VAL 98 HG11 VAL 98 3.449 -2.064 3.961 363 2HG1 VAL 98 HG12 VAL 98 1.881 -2.334 3.249 364 3HG1 VAL 98 HG13 VAL 98 3.248 -3.480 2.819 365 1HG2 VAL 98 HG23 VAL 98 2.613 0.260 0.907 366 2HG2 VAL 98 HG21 VAL 98 1.350 -0.986 1.210 367 3HG2 VAL 98 HG22 VAL 98 1.957 -0.060 2.596 368 H PHE 99 HN PHE 99 4.108 1.483 1.633 369 HA PHE 99 HA PHE 99 4.478 2.258 4.445 370 1HB PHE 99 HB1 PHE 99 6.017 3.404 2.042 371 2HB PHE 99 HB2 PHE 99 5.666 4.369 3.450 372 HD1 PHE 99 HD1 PHE 99 7.017 1.097 2.138 373 HD2 PHE 99 HD2 PHE 99 7.365 3.901 5.383 374 HE1 PHE 99 HE1 PHE 99 9.255 0.331 2.612 375 HE2 PHE 99 HE2 PHE 99 9.539 3.042 5.851 376 HZ PHE 99 HZ PHE 99 10.665 1.756 4.047 377 H ARG 100 HN ARG 100 3.682 4.405 4.803 378 HA ARG 100 HA ARG 100 1.801 5.503 2.739 379 1HB ARG 100 HB1 ARG 100 2.257 6.042 5.654 380 2HB ARG 100 HB2 ARG 100 1.631 7.282 4.643 381 1HG ARG 100 HG1 ARG 100 -0.363 6.209 4.009 382 2HG ARG 100 HG2 ARG 100 0.235 4.611 4.406 383 1HD ARG 100 HD1 ARG 100 -1.061 4.801 6.247 384 2HD ARG 100 HD2 ARG 100 0.417 5.541 6.935 385 HE ARG 100 HE ARG 100 -1.997 7.050 5.809 386 1HH1 ARG 100 HH22 ARG 100 1.224 7.244 7.187 387 2HH1 ARG 100 HH21 ARG 100 1.121 8.960 7.461 388 1HH2 ARG 100 HH12 ARG 100 -2.264 9.206 6.473 389 2HH2 ARG 100 HH11 ARG 100 -0.854 10.078 7.050 390 H LEU 101 HN LEU 101 2.493 7.464 1.753 391 HA LEU 101 HA LEU 101 5.277 7.920 1.816 392 1HB LEU 101 HB1 LEU 101 2.919 9.437 0.494 393 2HB LEU 101 HB2 LEU 101 4.614 9.899 0.226 394 HG LEU 101 HG LEU 101 5.081 7.513 -0.553 395 1HD1 LEU 101 HD22 LEU 101 2.147 7.282 -0.257 396 2HD1 LEU 101 HD23 LEU 101 2.975 6.484 -1.640 397 3HD1 LEU 101 HD21 LEU 101 3.482 6.109 0.060 398 1HD2 LEU 101 HD12 LEU 101 4.808 9.477 -2.180 399 2HD2 LEU 101 HD13 LEU 101 4.164 7.936 -2.853 400 3HD2 LEU 101 HD11 LEU 101 3.017 9.155 -2.199 401 H LEU 102 HN LEU 102 5.338 10.827 1.477 402 HA LEU 102 HA LEU 102 5.672 11.612 4.209 403 1HB LEU 102 HB1 LEU 102 6.251 13.727 3.156 404 2HB LEU 102 HB2 LEU 102 7.350 12.330 3.305 405 HG LEU 102 HG LEU 102 7.363 13.526 1.128 406 1HD1 LEU 102 HD21 LEU 102 7.357 10.661 1.489 407 2HD1 LEU 102 HD22 LEU 102 6.918 11.179 -0.209 408 3HD1 LEU 102 HD23 LEU 102 8.437 11.743 0.558 409 1HD2 LEU 102 HD12 LEU 102 4.522 12.555 0.808 410 2HD2 LEU 102 HD13 LEU 102 5.137 14.219 0.801 411 3HD2 LEU 102 HD11 LEU 102 5.598 13.110 -0.559 412 H HIS 103 HN HSP 103 3.043 11.118 4.467 413 HA HIS 103 HA HSP 103 1.656 13.606 3.741 414 1HB HIS 103 HB1 HSP 103 0.678 10.987 4.932 415 2HB HIS 103 HB2 HSP 103 -0.333 12.465 4.800 416 HD1 HIS 103 HD1 HSP 103 -1.783 10.740 3.258 417 HD2 HIS 103 HD2 HSP 103 1.766 12.307 1.606 418 HE1 HIS 103 HE1 HSP 103 -2.032 10.735 0.740 419 HE2 HIS 103 HE2 HSP 103 0.133 11.599 -0.235 420 H GLU 104 HN GLU 104 3.581 12.245 6.260 421 HA GLU 104 HA GLU 104 2.759 14.514 7.950 422 1HB GLU 104 HB1 GLU 104 3.310 11.694 9.026 423 2HB GLU 104 HB2 GLU 104 3.048 13.148 9.998 424 1HG GLU 104 HG1 GLU 104 0.946 12.169 10.131 425 2HG GLU 104 HG2 GLU 104 0.716 13.391 8.815 426 H HIS 105 HN HSP 105 4.955 13.948 5.941 427 HA HIS 105 HA HSP 105 7.164 14.317 7.803 428 1HB HIS 105 HB1 HSP 105 7.782 12.477 5.505 429 2HB HIS 105 HB2 HSP 105 8.540 12.596 7.131 430 HD1 HIS 105 HD1 HSP 105 6.488 11.766 9.036 431 HD2 HIS 105 HD2 HSP 105 6.489 10.148 5.171 432 HE1 HIS 105 HE1 HSP 105 5.377 9.494 9.170 433 HE2 HIS 105 HE2 HSP 105 5.345 8.585 6.813 434 H LYS 106 HN LYS 106 9.199 14.893 6.339 435 HA LYS 106 HA LYS 106 8.203 16.681 4.299 436 1HB LYS 106 HB1 LYS 106 10.934 16.297 5.630 437 2HB LYS 106 HB2 LYS 106 10.661 17.437 4.304 438 1HG LYS 106 HG1 LYS 106 9.078 17.532 6.951 439 2HG LYS 106 HG2 LYS 106 10.628 18.358 6.730 440 1HD LYS 106 HD1 LYS 106 9.676 19.709 4.841 441 2HD LYS 106 HD2 LYS 106 8.130 18.836 4.972 442 1HE LYS 106 HE1 LYS 106 7.787 19.715 7.290 443 2HE LYS 106 HE2 LYS 106 9.359 20.610 7.177 444 1HZ LYS 106 HZ3 LYS 106 8.485 21.777 5.275 445 2HZ LYS 106 HZ1 LYS 106 7.015 20.938 5.385 446 3HZ LYS 106 HZ2 LYS 106 7.487 21.988 6.633 447 H GLY 107 HN GLY 107 10.321 13.934 4.797 448 1HA GLY 107 HA2 GLY 107 10.018 13.130 2.040 449 2HA GLY 107 HA1 GLY 107 11.648 13.759 2.485 450 H LYS 108 HN LYS 108 9.087 11.508 3.895 451 HA LYS 108 HA LYS 108 11.072 9.443 4.036 452 1HB LYS 108 HB1 LYS 108 9.630 10.456 6.511 453 2HB LYS 108 HB2 LYS 108 10.409 8.865 6.351 454 1HG LYS 108 HG1 LYS 108 12.519 10.403 5.573 455 2HG LYS 108 HG2 LYS 108 11.712 11.557 6.658 456 1HD LYS 108 HD1 LYS 108 12.516 8.605 7.249 457 2HD LYS 108 HD2 LYS 108 13.515 10.006 7.678 458 1HE LYS 108 HE1 LYS 108 11.708 10.860 9.216 459 2HE LYS 108 HE2 LYS 108 10.697 9.416 8.803 460 1HZ LYS 108 HZ2 LYS 108 13.407 9.369 10.010 461 2HZ LYS 108 HZ3 LYS 108 11.936 9.108 10.818 462 3HZ LYS 108 HZ1 LYS 108 12.456 8.017 9.624 463 H LYS 109 HN LYS 109 9.633 7.556 5.078 464 HA LYS 109 HA LYS 109 6.892 7.677 3.965 465 1HB LYS 109 HB1 LYS 109 9.069 5.690 3.414 466 2HB LYS 109 HB2 LYS 109 7.686 5.145 3.399 467 1HG LYS 109 HG1 LYS 109 7.545 7.662 1.750 468 2HG LYS 109 HG2 LYS 109 9.084 6.917 1.451 469 1HD LYS 109 HD1 LYS 109 6.446 5.344 1.261 470 2HD LYS 109 HD2 LYS 109 6.999 6.266 -0.013 471 1HE LYS 109 HE1 LYS 109 8.655 4.059 1.485 472 2HE LYS 109 HE2 LYS 109 7.698 3.719 -0.017 473 1HZ LYS 109 HZ2 LYS 109 9.106 5.379 -1.130 474 2HZ LYS 109 HZ3 LYS 109 10.041 5.528 0.296 475 3HZ LYS 109 HZ1 LYS 109 9.972 4.048 -0.566 476 H ALA 110 HN ALA 110 5.578 6.425 5.193 477 HA ALA 110 HA ALA 110 6.600 6.002 7.945 478 1HB ALA 110 HB3 ALA 110 3.715 6.574 7.235 479 2HB ALA 110 HB1 ALA 110 4.280 5.829 8.793 480 3HB ALA 110 HB2 ALA 110 4.801 7.479 8.377 481 H ARG 111 HN ARG 111 6.880 3.783 8.413 482 HA ARG 111 HA ARG 111 6.113 2.092 6.209 483 1HB ARG 111 HB1 ARG 111 8.437 2.282 7.353 484 2HB ARG 111 HB2 ARG 111 7.658 1.565 8.777 485 1HG ARG 111 HG1 ARG 111 7.167 0.007 6.288 486 2HG ARG 111 HG2 ARG 111 8.866 0.160 6.736 487 1HD ARG 111 HD1 ARG 111 8.079 -0.409 9.177 488 2HD ARG 111 HD2 ARG 111 6.589 -0.913 8.487 489 HE ARG 111 HE ARG 111 9.388 -2.067 7.708 490 1HH1 ARG 111 HH22 ARG 111 5.866 -2.339 7.288 491 2HH1 ARG 111 HH21 ARG 111 6.044 -3.556 6.079 492 1HH2 ARG 111 HH12 ARG 111 9.490 -4.044 6.576 493 2HH2 ARG 111 HH11 ARG 111 8.039 -4.664 5.861 494 H LEU 112 HN LEU 112 4.836 0.402 6.437 495 HA LEU 112 HA LEU 112 2.983 0.614 8.749 496 1HB LEU 112 HB1 LEU 112 2.374 -0.315 5.903 497 2HB LEU 112 HB2 LEU 112 1.209 0.100 7.215 498 HG LEU 112 HG LEU 112 3.056 2.113 5.970 499 1HD1 LEU 112 HD12 LEU 112 1.332 1.185 4.360 500 2HD1 LEU 112 HD13 LEU 112 0.057 1.765 5.480 501 3HD1 LEU 112 HD11 LEU 112 1.195 2.950 4.703 502 1HD2 LEU 112 HD22 LEU 112 2.399 2.705 8.251 503 2HD2 LEU 112 HD23 LEU 112 1.639 3.790 7.023 504 3HD2 LEU 112 HD21 LEU 112 0.680 2.452 7.847 505 H ASP 113 HN ASP 113 1.365 -1.496 8.022 506 HA ASP 113 HA ASP 113 3.164 -3.718 8.624 507 1HB ASP 113 HB1 ASP 113 1.340 -3.115 10.374 508 2HB ASP 113 HB2 ASP 113 0.189 -3.850 9.173 509 H TRP 114 HN TRP 114 3.012 -5.534 7.217 510 HA TRP 114 HA TRP 114 1.635 -5.256 5.116 511 1HB TRP 114 HB1 TRP 114 3.362 -7.394 6.451 512 2HB TRP 114 HB2 TRP 114 2.241 -8.155 5.315 513 HD1 TRP 114 HD1 TRP 114 5.393 -8.106 4.674 514 HE1 TRP 114 HE1 TRP 114 6.248 -6.942 2.482 515 HE3 TRP 114 HE3 TRP 114 1.197 -6.176 3.634 516 HZ2 TRP 114 HZ2 TRP 114 4.733 -5.899 0.203 517 HZ3 TRP 114 HZ3 TRP 114 0.672 -5.253 1.289 518 HH2 TRP 114 HH2 TRP 114 2.337 -5.717 -0.380 519 H ASN 115 HN ASN 115 0.357 -6.164 8.041 520 HA ASN 115 HA ASN 115 -2.031 -7.230 6.630 521 1HB ASN 115 HB1 ASN 115 -0.697 -8.070 8.972 522 2HB ASN 115 HB2 ASN 115 -1.861 -6.996 9.656 523 1HD2 ASN 115 HD21 ASN 115 -4.747 -8.922 8.519 524 2HD2 ASN 115 HD22 ASN 115 -4.209 -7.289 8.746 525 H THR 116 HN THR 116 -1.011 -4.349 6.658 526 HA THR 116 HA THR 116 -2.126 -3.315 8.832 527 HB THR 116 HB THR 116 -0.291 -2.236 7.102 528 HG1 THR 116 HG1 THR 116 -1.017 -0.778 9.177 529 1HG2 THR 116 HG22 THR 116 -2.620 -0.622 6.531 530 2HG2 THR 116 HG23 THR 116 -2.429 -0.179 8.238 531 3HG2 THR 116 HG21 THR 116 -1.107 0.200 7.051 532 H ASP 117 HN ASP 117 -4.011 -1.987 9.167 533 HA ASP 117 HA ASP 117 -6.333 -2.640 7.651 534 1HB ASP 117 HB1 ASP 117 -6.254 -1.903 10.099 535 2HB ASP 117 HB2 ASP 117 -6.007 -0.238 9.492 536 H ALA 118 HN ALA 118 -5.700 -2.236 5.538 537 HA ALA 118 HA ALA 118 -5.075 0.249 4.437 538 1HB ALA 118 HB2 ALA 118 -6.641 -2.258 3.511 539 2HB ALA 118 HB3 ALA 118 -6.275 -0.915 2.367 540 3HB ALA 118 HB1 ALA 118 -4.928 -1.858 3.138 541 H ALA 119 HN ALA 119 -7.900 -0.713 6.024 542 HA ALA 119 HA ALA 119 -9.632 1.242 4.652 543 1HB ALA 119 HB1 ALA 119 -9.353 -1.027 6.823 544 2HB ALA 119 HB2 ALA 119 -10.915 -0.067 6.798 545 3HB ALA 119 HB3 ALA 119 -10.410 -1.100 5.398 546 H SER 120 HN SER 120 -7.234 1.335 7.089 547 HA SER 120 HA SER 120 -8.593 3.781 7.936 548 1HB SER 120 HB1 SER 120 -6.312 2.330 9.447 549 2HB SER 120 HB2 SER 120 -7.125 3.823 9.992 550 HG SER 120 HG1 SER 120 -8.428 1.315 9.630 551 H LEU 121 HN LEU 121 -6.421 2.553 5.787 552 HA LEU 121 HA LEU 121 -4.701 4.859 5.635 553 1HB LEU 121 HB1 LEU 121 -5.972 2.800 3.750 554 2HB LEU 121 HB2 LEU 121 -4.740 3.969 3.212 555 HG LEU 121 HG LEU 121 -4.206 1.849 5.313 556 1HD1 LEU 121 HD23 LEU 121 -4.466 1.212 2.816 557 2HD1 LEU 121 HD21 LEU 121 -2.940 2.091 2.571 558 3HD1 LEU 121 HD22 LEU 121 -2.990 0.687 3.736 559 1HD2 LEU 121 HD13 LEU 121 -2.728 4.285 4.473 560 2HD2 LEU 121 HD11 LEU 121 -2.932 3.585 6.049 561 3HD2 LEU 121 HD12 LEU 121 -1.802 2.734 4.881 562 H ILE 122 HN ILE 122 -6.984 3.904 3.424 563 HA ILE 122 HA ILE 122 -8.104 5.049 1.824 564 HB ILE 122 HB ILE 122 -9.448 5.451 4.493 565 1HG1 ILE 122 HG11 ILE 122 -8.623 3.175 4.196 566 2HG1 ILE 122 HG12 ILE 122 -10.372 3.352 4.397 567 1HG2 ILE 122 HG23 ILE 122 -10.260 5.281 1.588 568 2HG2 ILE 122 HG21 ILE 122 -11.443 4.796 2.871 569 3HG2 ILE 122 HG22 ILE 122 -10.789 6.521 2.772 570 1HD1 ILE 122 HD1 ILE 122 -9.999 3.434 1.558 571 2HD1 ILE 122 HD2 ILE 122 -8.961 2.113 2.156 572 3HD1 ILE 122 HD3 ILE 122 -10.755 2.158 2.549 573 H GLY 123 HN GLY 123 -8.266 6.763 0.781 574 1HA GLY 123 HA2 GLY 123 -7.851 8.880 0.044 575 2HA GLY 123 HA1 GLY 123 -8.212 9.375 1.734 576 H GLU 124 HN GLU 124 -5.483 7.248 0.647 577 HA GLU 124 HA GLU 124 -3.622 9.363 1.445 578 1HB GLU 124 HB1 GLU 124 -3.473 6.449 2.343 579 2HB GLU 124 HB2 GLU 124 -2.308 7.727 2.699 580 1HG GLU 124 HG1 GLU 124 -5.285 7.899 3.570 581 2HG GLU 124 HG2 GLU 124 -4.144 6.940 4.469 582 H GLU 125 HN GLU 125 -1.512 8.832 0.656 583 HA GLU 125 HA GLU 125 -1.570 7.187 -1.787 584 1HB GLU 125 HB1 GLU 125 0.448 9.270 -0.780 585 2HB GLU 125 HB2 GLU 125 0.898 8.073 -1.981 586 1HG GLU 125 HG1 GLU 125 0.213 9.145 -3.671 587 2HG GLU 125 HG2 GLU 125 -1.457 8.925 -3.147 588 H LEU 126 HN LEU 126 -0.525 5.211 -1.697 589 HA LEU 126 HA LEU 126 1.449 5.025 0.341 590 1HB LEU 126 HB1 LEU 126 -0.523 2.937 -0.691 591 2HB LEU 126 HB2 LEU 126 0.975 2.387 0.006 592 HG LEU 126 HG LEU 126 0.115 4.276 1.898 593 1HD1 LEU 126 HD21 LEU 126 -1.775 4.896 1.012 594 2HD1 LEU 126 HD22 LEU 126 -2.392 3.183 0.913 595 3HD1 LEU 126 HD23 LEU 126 -2.050 4.031 2.513 596 1HD2 LEU 126 HD12 LEU 126 1.048 1.939 2.348 597 2HD2 LEU 126 HD13 LEU 126 -0.476 2.277 3.305 598 3HD2 LEU 126 HD11 LEU 126 -0.532 1.239 1.839 599 H GLN 127 HN GLN 127 3.147 3.282 -0.041 600 HA GLN 127 HA GLN 127 3.810 3.082 -2.874 601 1HB GLN 127 HB1 GLN 127 4.881 5.304 -1.870 602 2HB GLN 127 HB2 GLN 127 5.921 4.203 -0.979 603 1HG GLN 127 HG1 GLN 127 5.997 3.298 -3.743 604 2HG GLN 127 HG2 GLN 127 5.969 5.137 -3.808 605 1HE2 GLN 127 HE21 GLN 127 9.418 3.507 -2.616 606 2HE2 GLN 127 HE22 GLN 127 8.088 2.492 -3.071 607 H VAL 128 HN VAL 128 5.470 1.437 -3.194 608 HA VAL 128 HA VAL 128 5.902 -0.183 -0.748 609 HB VAL 128 HB VAL 128 5.318 -1.064 -3.586 610 1HG1 VAL 128 HG11 VAL 128 6.469 -2.751 -1.275 611 2HG1 VAL 128 HG12 VAL 128 5.843 -3.384 -2.841 612 3HG1 VAL 128 HG13 VAL 128 7.312 -2.363 -2.847 613 1HG2 VAL 128 HG22 VAL 128 3.384 -0.821 -1.984 614 2HG2 VAL 128 HG23 VAL 128 3.664 -2.495 -2.588 615 3HG2 VAL 128 HG21 VAL 128 4.176 -2.039 -0.907 616 H ASP 129 HN ASP 129 8.000 -0.955 -0.432 617 HA ASP 129 HA ASP 129 9.960 -0.107 -2.429 618 1HB ASP 129 HB1 ASP 129 9.496 1.366 0.010 619 2HB ASP 129 HB2 ASP 129 10.906 0.335 0.381 620 H PHE 130 HN PHE 130 12.289 -0.892 -1.096 621 HA PHE 130 HA PHE 130 11.893 -3.715 -1.077 622 1HB PHE 130 HB1 PHE 130 14.372 -3.677 -0.222 623 2HB PHE 130 HB2 PHE 130 14.015 -3.199 -1.912 624 HD1 PHE 130 HD2 PHE 130 14.729 -1.900 1.523 625 HD2 PHE 130 HD1 PHE 130 14.274 -0.883 -2.612 626 HE1 PHE 130 HE2 PHE 130 15.688 0.307 1.952 627 HE2 PHE 130 HE1 PHE 130 15.241 1.316 -2.161 628 HZ PHE 130 HZ PHE 130 15.950 1.925 0.114 629 H LEU 131 HN LEU 131 12.516 -5.067 0.822 630 HA LEU 131 HA LEU 131 11.201 -4.363 3.028 631 1HB LEU 131 HB1 LEU 131 13.138 -6.581 2.463 632 2HB LEU 131 HB2 LEU 131 12.616 -6.272 4.176 633 HG LEU 131 HG LEU 131 10.534 -6.563 1.992 634 1HD1 LEU 131 HD21 LEU 131 11.952 -8.529 1.738 635 2HD1 LEU 131 HD22 LEU 131 11.809 -8.884 3.496 636 3HD1 LEU 131 HD23 LEU 131 10.334 -8.937 2.461 637 1HD2 LEU 131 HD12 LEU 131 9.876 -5.657 4.231 638 2HD2 LEU 131 HD13 LEU 131 9.077 -7.220 3.788 639 3HD2 LEU 131 HD11 LEU 131 10.438 -7.193 4.981 640 H ASP 132 HN ASP 132 11.676 -2.877 4.106 641 HA ASP 132 HA ASP 132 12.762 -1.123 5.338 642 1HB ASP 132 HB1 ASP 132 13.624 -3.805 6.564 643 2HB ASP 132 HB2 ASP 132 13.552 -2.206 7.427 No H/Q in entry = 643 Start of MODEL 21 1 1H SER 55 HT2 SER 55 -14.100 7.838 2.267 2 2H SER 55 HT1 SER 55 -12.437 7.991 2.464 3 3H SER 55 HT3 SER 55 -13.305 9.219 1.658 4 HA SER 55 HA SER 55 -13.749 7.859 -0.164 5 1HB SER 55 HB1 SER 55 -11.334 8.852 0.165 6 2HB SER 55 HB2 SER 55 -10.842 7.184 0.591 7 HG SER 55 HG1 SER 55 -11.903 8.227 -1.827 8 H ASN 56 HN ASN 56 -12.507 5.678 -1.173 9 HA ASN 56 HA ASN 56 -12.632 3.532 0.773 10 1HB ASN 56 HB1 ASN 56 -14.816 3.994 -1.167 11 2HB ASN 56 HB2 ASN 56 -13.961 2.442 -1.534 12 1HD2 ASN 56 HD21 ASN 56 -15.621 2.844 2.268 13 2HD2 ASN 56 HD22 ASN 56 -14.784 4.187 1.575 14 H THR 57 HN THR 57 -10.642 5.108 -0.772 15 HA THR 57 HA THR 57 -9.641 2.947 -2.502 16 HB THR 57 HB THR 57 -9.003 4.598 -4.228 17 HG1 THR 57 HG1 THR 57 -10.480 6.400 -2.588 18 1HG2 THR 57 HG23 THR 57 -11.299 3.539 -4.457 19 2HG2 THR 57 HG21 THR 57 -11.996 4.961 -3.578 20 3HG2 THR 57 HG22 THR 57 -11.190 5.194 -5.171 21 H ILE 58 HN ILE 58 -7.368 2.886 -2.656 22 HA ILE 58 HA ILE 58 -5.942 5.045 -1.289 23 HB ILE 58 HB ILE 58 -4.722 2.345 -0.902 24 1HG1 ILE 58 HG11 ILE 58 -5.948 2.231 1.396 25 2HG1 ILE 58 HG12 ILE 58 -7.248 3.117 0.585 26 1HG2 ILE 58 HG23 ILE 58 -3.593 4.465 -0.195 27 2HG2 ILE 58 HG21 ILE 58 -4.933 4.740 1.000 28 3HG2 ILE 58 HG22 ILE 58 -3.867 3.299 1.137 29 1HD1 ILE 58 HD2 ILE 58 -5.968 0.421 -0.290 30 2HD1 ILE 58 HD3 ILE 58 -7.573 0.629 0.509 31 3HD1 ILE 58 HD1 ILE 58 -7.316 1.249 -1.165 32 H ARG 59 HN ARG 59 -3.649 5.214 -2.168 33 HA ARG 59 HA ARG 59 -3.685 4.104 -4.889 34 1HB ARG 59 HB1 ARG 59 -2.327 6.541 -3.670 35 2HB ARG 59 HB2 ARG 59 -2.089 5.970 -5.342 36 1HG ARG 59 HG1 ARG 59 -4.035 6.809 -6.075 37 2HG ARG 59 HG2 ARG 59 -4.945 6.146 -4.831 38 1HD ARG 59 HD1 ARG 59 -3.876 8.144 -3.281 39 2HD ARG 59 HD2 ARG 59 -3.564 8.895 -4.899 40 HE ARG 59 HE ARG 59 -5.870 9.535 -4.367 41 1HH1 ARG 59 HH22 ARG 59 -5.402 7.049 -2.454 42 2HH1 ARG 59 HH21 ARG 59 -7.073 6.589 -2.354 43 1HH2 ARG 59 HH12 ARG 59 -8.145 8.769 -4.857 44 2HH2 ARG 59 HH11 ARG 59 -8.629 7.655 -3.640 45 H VAL 60 HN VAL 60 -1.892 3.049 -5.656 46 HA VAL 60 HA VAL 60 0.054 2.316 -3.514 47 HB VAL 60 HB VAL 60 -0.640 0.485 -5.807 48 1HG1 VAL 60 HG12 VAL 60 1.528 0.123 -4.681 49 2HG1 VAL 60 HG13 VAL 60 0.689 -0.041 -3.106 50 3HG1 VAL 60 HG11 VAL 60 0.367 -1.240 -4.438 51 1HG2 VAL 60 HG23 VAL 60 -1.938 0.453 -3.030 52 2HG2 VAL 60 HG21 VAL 60 -2.757 0.746 -4.617 53 3HG2 VAL 60 HG22 VAL 60 -2.026 -0.862 -4.267 54 H PHE 61 HN PHE 61 1.915 3.312 -3.961 55 HA PHE 61 HA PHE 61 2.617 3.735 -6.783 56 1HB PHE 61 HB1 PHE 61 3.596 4.905 -4.151 57 2HB PHE 61 HB2 PHE 61 4.618 4.992 -5.680 58 HD1 PHE 61 HD2 PHE 61 1.041 5.532 -4.525 59 HD2 PHE 61 HD1 PHE 61 4.275 6.885 -6.981 60 HE1 PHE 61 HE2 PHE 61 -0.247 7.506 -5.141 61 HE2 PHE 61 HE1 PHE 61 3.008 8.915 -7.494 62 HZ PHE 61 HZ PHE 61 0.775 9.262 -6.521 63 H LEU 62 HN LEU 62 4.543 2.792 -7.702 64 HA LEU 62 HA LEU 62 5.130 0.340 -6.190 65 1HB LEU 62 HB1 LEU 62 5.538 1.173 -9.074 66 2HB LEU 62 HB2 LEU 62 6.352 -0.261 -8.400 67 HG LEU 62 HG LEU 62 4.112 -0.648 -9.619 68 1HD1 LEU 62 HD12 LEU 62 5.343 -2.378 -8.332 69 2HD1 LEU 62 HD13 LEU 62 4.480 -1.853 -6.829 70 3HD1 LEU 62 HD11 LEU 62 3.548 -2.537 -8.209 71 1HD2 LEU 62 HD21 LEU 62 2.809 1.130 -8.418 72 2HD2 LEU 62 HD22 LEU 62 2.082 -0.518 -8.331 73 3HD2 LEU 62 HD23 LEU 62 2.950 0.144 -6.901 74 HA PRO 63 HA PRO 63 9.189 1.743 -5.554 75 1HB PRO 63 HB1 PRO 63 10.212 -0.950 -6.259 76 2HB PRO 63 HB2 PRO 63 10.456 -0.026 -4.798 77 1HG PRO 63 HG1 PRO 63 8.753 -2.217 -5.096 78 2HG PRO 63 HG2 PRO 63 8.598 -1.075 -3.826 79 1HD PRO 63 HD1 PRO 63 6.715 -1.448 -5.944 80 2HD PRO 63 HD2 PRO 63 6.639 -0.266 -4.725 81 H ASN 64 HN ASN 64 8.023 0.162 -8.464 82 HA ASN 64 HA ASN 64 10.308 1.012 -10.020 83 1HB ASN 64 HB1 ASN 64 7.529 0.182 -11.026 84 2HB ASN 64 HB2 ASN 64 9.070 0.238 -11.970 85 1HD2 ASN 64 HD21 ASN 64 10.138 -2.967 -10.826 86 2HD2 ASN 64 HD22 ASN 64 10.435 -1.592 -11.835 87 H LYS 65 HN LYS 65 8.441 2.834 -8.272 88 HA LYS 65 HA LYS 65 7.904 4.908 -8.340 89 1HB LYS 65 HB1 LYS 65 8.712 5.243 -11.263 90 2HB LYS 65 HB2 LYS 65 8.726 6.470 -9.967 91 1HG LYS 65 HG1 LYS 65 10.580 4.020 -10.281 92 2HG LYS 65 HG2 LYS 65 11.019 5.720 -10.570 93 1HD LYS 65 HD1 LYS 65 10.330 4.357 -7.882 94 2HD LYS 65 HD2 LYS 65 11.907 4.972 -8.396 95 1HE LYS 65 HE1 LYS 65 10.949 7.337 -8.437 96 2HE LYS 65 HE2 LYS 65 9.403 6.662 -7.765 97 1HZ LYS 65 HZ2 LYS 65 10.636 5.806 -5.912 98 2HZ LYS 65 HZ3 LYS 65 12.083 6.445 -6.525 99 3HZ LYS 65 HZ1 LYS 65 10.825 7.487 -6.053 100 H GLN 66 HN GLN 66 6.466 2.617 -10.087 101 HA GLN 66 HA GLN 66 4.630 4.156 -11.372 102 1HB GLN 66 HB1 GLN 66 4.940 1.273 -11.028 103 2HB GLN 66 HB2 GLN 66 3.304 1.613 -10.832 104 1HG GLN 66 HG1 GLN 66 4.524 3.061 -13.178 105 2HG GLN 66 HG2 GLN 66 4.752 1.281 -13.251 106 1HE2 GLN 66 HE21 GLN 66 0.940 2.948 -13.447 107 2HE2 GLN 66 HE22 GLN 66 2.330 3.925 -13.168 108 H ARG 67 HN ARG 67 2.077 3.278 -10.934 109 HA ARG 67 HA ARG 67 1.358 3.793 -8.202 110 1HB ARG 67 HB1 ARG 67 0.090 5.889 -8.798 111 2HB ARG 67 HB2 ARG 67 1.849 6.043 -8.550 112 1HG ARG 67 HG1 ARG 67 1.101 5.492 -11.384 113 2HG ARG 67 HG2 ARG 67 0.406 6.975 -10.750 114 1HD ARG 67 HD1 ARG 67 2.595 7.891 -10.126 115 2HD ARG 67 HD2 ARG 67 3.402 6.315 -10.444 116 HE ARG 67 HE ARG 67 1.960 7.795 -12.675 117 1HH1 ARG 67 HH22 ARG 67 5.058 6.987 -11.202 118 2HH1 ARG 67 HH21 ARG 67 5.912 7.868 -12.404 119 1HH2 ARG 67 HH12 ARG 67 3.180 8.107 -14.585 120 2HH2 ARG 67 HH11 ARG 67 4.869 8.416 -14.377 121 H THR 68 HN THR 68 -1.038 3.963 -8.037 122 HA THR 68 HA THR 68 -2.704 3.552 -10.192 123 HB THR 68 HB THR 68 -1.653 1.298 -10.495 124 HG1 THR 68 HG1 THR 68 -3.640 0.146 -10.166 125 1HG2 THR 68 HG22 THR 68 -0.992 0.892 -8.084 126 2HG2 THR 68 HG23 THR 68 -2.739 0.649 -7.688 127 3HG2 THR 68 HG21 THR 68 -1.915 -0.470 -8.833 128 H VAL 69 HN VAL 69 -4.953 2.757 -9.298 129 HA VAL 69 HA VAL 69 -5.096 3.605 -6.461 130 HB VAL 69 HB VAL 69 -7.407 4.008 -8.354 131 1HG1 VAL 69 HG13 VAL 69 -6.670 5.316 -5.702 132 2HG1 VAL 69 HG11 VAL 69 -8.099 5.704 -6.733 133 3HG1 VAL 69 HG12 VAL 69 -7.941 4.066 -6.002 134 1HG2 VAL 69 HG21 VAL 69 -5.201 6.087 -7.834 135 2HG2 VAL 69 HG22 VAL 69 -5.634 5.339 -9.425 136 3HG2 VAL 69 HG23 VAL 69 -6.811 6.413 -8.587 137 H VAL 70 HN VAL 70 -6.242 2.209 -5.167 138 HA VAL 70 HA VAL 70 -7.783 0.096 -6.526 139 HB VAL 70 HB VAL 70 -6.809 -1.577 -4.996 140 1HG1 VAL 70 HG12 VAL 70 -5.848 -1.307 -7.286 141 2HG1 VAL 70 HG13 VAL 70 -4.608 -0.194 -6.602 142 3HG1 VAL 70 HG11 VAL 70 -4.679 -1.929 -6.060 143 1HG2 VAL 70 HG23 VAL 70 -4.892 0.656 -4.136 144 2HG2 VAL 70 HG21 VAL 70 -6.102 -0.215 -3.112 145 3HG2 VAL 70 HG22 VAL 70 -4.694 -1.110 -3.779 146 H ASN 71 HN ASN 71 -9.272 -0.991 -5.012 147 HA ASN 71 HA ASN 71 -9.952 0.770 -2.739 148 1HB ASN 71 HB1 ASN 71 -12.214 -0.304 -2.879 149 2HB ASN 71 HB2 ASN 71 -11.778 0.715 -4.305 150 1HD2 ASN 71 HD21 ASN 71 -11.654 -1.917 -6.672 151 2HD2 ASN 71 HD22 ASN 71 -11.311 -0.254 -6.344 152 H VAL 72 HN VAL 72 -10.833 -0.439 -0.815 153 HA VAL 72 HA VAL 72 -9.376 -2.996 -0.540 154 HB VAL 72 HB VAL 72 -8.659 -1.425 1.145 155 1HG1 VAL 72 HG11 VAL 72 -10.561 0.141 1.092 156 2HG1 VAL 72 HG12 VAL 72 -11.580 -1.077 1.965 157 3HG1 VAL 72 HG13 VAL 72 -10.114 -0.398 2.759 158 1HG2 VAL 72 HG22 VAL 72 -8.993 -3.830 1.836 159 2HG2 VAL 72 HG23 VAL 72 -9.121 -2.627 3.173 160 3HG2 VAL 72 HG21 VAL 72 -10.613 -3.359 2.493 161 H ARG 73 HN ARG 73 -10.532 -4.864 -0.247 162 HA ARG 73 HA ARG 73 -13.466 -4.531 -0.209 163 1HB ARG 73 HB1 ARG 73 -11.746 -6.286 -1.715 164 2HB ARG 73 HB2 ARG 73 -12.578 -7.288 -0.551 165 1HG ARG 73 HG1 ARG 73 -13.968 -7.232 -2.529 166 2HG ARG 73 HG2 ARG 73 -14.801 -6.184 -1.358 167 1HD ARG 73 HD1 ARG 73 -13.724 -4.157 -2.486 168 2HD ARG 73 HD2 ARG 73 -13.023 -5.286 -3.723 169 HE ARG 73 HE ARG 73 -15.513 -6.018 -4.080 170 1HH1 ARG 73 HH22 ARG 73 -13.766 -3.092 -4.350 171 2HH1 ARG 73 HH21 ARG 73 -14.947 -2.366 -5.387 172 1HH2 ARG 73 HH12 ARG 73 -17.336 -4.908 -5.022 173 2HH2 ARG 73 HH11 ARG 73 -16.923 -3.457 -5.862 174 H ASN 74 HN ASN 74 -14.461 -6.562 1.017 175 HA ASN 74 HA ASN 74 -13.404 -6.270 3.702 176 1HB ASN 74 HB1 ASN 74 -15.372 -8.015 4.162 177 2HB ASN 74 HB2 ASN 74 -15.629 -6.256 4.053 178 1HD2 ASN 74 HD21 ASN 74 -16.761 -8.712 0.859 179 2HD2 ASN 74 HD22 ASN 74 -15.455 -9.193 1.891 180 H GLY 75 HN GLY 75 -11.651 -7.467 4.188 181 1HA GLY 75 HA2 GLY 75 -11.211 -9.821 4.755 182 2HA GLY 75 HA1 GLY 75 -11.513 -10.192 3.023 183 H MET 76 HN MET 76 -10.355 -7.525 2.188 184 HA MET 76 HA MET 76 -7.720 -8.503 1.995 185 1HB MET 76 HB1 MET 76 -8.755 -5.743 1.146 186 2HB MET 76 HB2 MET 76 -7.300 -6.329 0.744 187 1HG MET 76 HG1 MET 76 -7.949 -8.296 -0.487 188 2HG MET 76 HG2 MET 76 -9.595 -8.116 -0.083 189 1HE MET 76 HE1 MET 76 -10.308 -8.109 -2.705 190 2HE MET 76 HE2 MET 76 -9.610 -7.033 -3.958 191 3HE MET 76 HE3 MET 76 -8.590 -8.289 -3.187 192 H SER 77 HN SER 77 -5.800 -7.499 2.686 193 HA SER 77 HA SER 77 -5.898 -5.004 4.191 194 1HB SER 77 HB1 SER 77 -5.176 -7.499 5.683 195 2HB SER 77 HB2 SER 77 -4.615 -5.855 6.025 196 HG SER 77 HG1 SER 77 -7.371 -6.212 5.614 197 H LEU 78 HN LEU 78 -4.221 -4.053 3.758 198 HA LEU 78 HA LEU 78 -2.500 -3.547 2.374 199 1HB LEU 78 HB1 LEU 78 -2.000 -4.679 5.053 200 2HB LEU 78 HB2 LEU 78 -0.596 -4.826 4.071 201 HG LEU 78 HG LEU 78 -0.507 -2.717 5.274 202 1HD1 LEU 78 HD23 LEU 78 0.238 -2.891 2.686 203 2HD1 LEU 78 HD21 LEU 78 -1.192 -1.797 2.459 204 3HD1 LEU 78 HD22 LEU 78 -0.023 -1.185 3.506 205 1HD2 LEU 78 HD11 LEU 78 -2.954 -1.994 3.622 206 2HD2 LEU 78 HD12 LEU 78 -2.780 -2.003 5.403 207 3HD2 LEU 78 HD13 LEU 78 -1.836 -0.806 4.450 208 H HIS 79 HN HSP 79 -1.420 -6.685 3.545 209 HA HIS 79 HA HSP 79 0.095 -7.127 1.198 210 1HB HIS 79 HB1 HSP 79 -0.355 -8.586 3.728 211 2HB HIS 79 HB2 HSP 79 -0.635 -9.732 2.406 212 HD1 HIS 79 HD1 HSP 79 1.629 -8.331 0.521 213 HD2 HIS 79 HD2 HSP 79 2.142 -9.630 4.459 214 HE1 HIS 79 HE1 HSP 79 4.119 -8.344 1.075 215 HE2 HIS 79 HE2 HSP 79 4.366 -9.435 3.271 216 H ASP 80 HN ASP 80 -3.018 -8.603 2.369 217 HA ASP 80 HA ASP 80 -3.353 -9.868 -0.190 218 1HB ASP 80 HB1 ASP 80 -5.360 -9.522 2.102 219 2HB ASP 80 HB2 ASP 80 -5.478 -10.678 0.703 220 H CYS 81 HN CYS 81 -3.668 -6.689 0.875 221 HA CYS 81 HA CYS 81 -6.023 -6.187 -0.802 222 1HB CYS 81 HB1 CYS 81 -5.439 -5.192 1.724 223 2HB CYS 81 HB2 CYS 81 -4.569 -4.049 0.783 224 HG1 CYS 81 HG1 CYS 81 -6.330 -3.501 -1.109 225 H LEU 82 HN LEU 82 -2.580 -5.772 -0.569 226 HA LEU 82 HA LEU 82 -2.429 -4.145 -2.989 227 1HB LEU 82 HB1 LEU 82 -0.415 -5.468 -1.040 228 2HB LEU 82 HB2 LEU 82 0.154 -4.666 -2.415 229 HG LEU 82 HG LEU 82 -0.677 -3.736 0.177 230 1HD1 LEU 82 HD13 LEU 82 1.303 -2.739 -1.262 231 2HD1 LEU 82 HD11 LEU 82 0.068 -1.986 -2.314 232 3HD1 LEU 82 HD12 LEU 82 0.230 -1.449 -0.589 233 1HD2 LEU 82 HD23 LEU 82 -2.468 -2.549 -1.872 234 2HD2 LEU 82 HD21 LEU 82 -2.832 -3.349 -0.294 235 3HD2 LEU 82 HD22 LEU 82 -2.037 -1.750 -0.278 236 H MET 83 HN MET 83 -1.828 -7.373 -1.828 237 HA MET 83 HA MET 83 -0.487 -8.647 -3.873 238 1HB MET 83 HB1 MET 83 -1.418 -9.725 -1.841 239 2HB MET 83 HB2 MET 83 -3.049 -9.322 -2.311 240 1HG MET 83 HG1 MET 83 -3.230 -10.779 -4.033 241 2HG MET 83 HG2 MET 83 -1.474 -10.977 -4.236 242 1HE MET 83 HE3 MET 83 0.082 -12.496 -2.812 243 2HE MET 83 HE1 MET 83 -0.217 -11.475 -1.367 244 3HE MET 83 HE2 MET 83 -0.340 -13.256 -1.243 245 H LYS 84 HN LYS 84 -3.792 -7.278 -3.881 246 HA LYS 84 HA LYS 84 -4.944 -8.151 -6.376 247 1HB LYS 84 HB1 LYS 84 -6.364 -7.789 -5.191 248 2HB LYS 84 HB2 LYS 84 -5.399 -6.650 -4.190 249 1HG LYS 84 HG1 LYS 84 -5.365 -4.881 -5.800 250 2HG LYS 84 HG2 LYS 84 -6.459 -5.823 -6.833 251 1HD LYS 84 HD1 LYS 84 -7.556 -5.920 -4.254 252 2HD LYS 84 HD2 LYS 84 -6.647 -4.515 -4.070 253 1HE LYS 84 HE1 LYS 84 -7.985 -3.410 -6.024 254 2HE LYS 84 HE2 LYS 84 -8.705 -5.019 -6.413 255 1HZ LYS 84 HZ3 LYS 84 -9.697 -5.006 -4.187 256 2HZ LYS 84 HZ1 LYS 84 -9.132 -3.434 -3.936 257 3HZ LYS 84 HZ2 LYS 84 -10.253 -3.736 -5.176 258 H ALA 85 HN ALA 85 -3.089 -5.245 -5.257 259 HA ALA 85 HA ALA 85 -3.339 -4.127 -7.870 260 1HB ALA 85 HB1 ALA 85 -3.120 -3.096 -5.322 261 2HB ALA 85 HB2 ALA 85 -1.362 -3.540 -5.426 262 3HB ALA 85 HB3 ALA 85 -2.016 -2.261 -6.511 263 H LEU 86 HN LEU 86 -1.166 -6.327 -6.570 264 HA LEU 86 HA LEU 86 1.019 -5.654 -8.550 265 1HB LEU 86 HB1 LEU 86 0.966 -7.371 -6.041 266 2HB LEU 86 HB2 LEU 86 2.334 -6.986 -6.910 267 HG LEU 86 HG LEU 86 0.492 -4.766 -5.737 268 1HD1 LEU 86 HD21 LEU 86 0.809 -6.272 -4.016 269 2HD1 LEU 86 HD22 LEU 86 2.594 -6.062 -4.125 270 3HD1 LEU 86 HD23 LEU 86 1.472 -4.642 -3.740 271 1HD2 LEU 86 HD12 LEU 86 3.393 -4.601 -6.508 272 2HD2 LEU 86 HD13 LEU 86 1.946 -3.889 -7.339 273 3HD2 LEU 86 HD11 LEU 86 2.380 -3.305 -5.703 274 H LYS 87 HN LYS 87 -0.953 -8.127 -7.043 275 HA LYS 87 HA LYS 87 -0.515 -10.172 -8.669 276 1HB LYS 87 HB1 LYS 87 -3.081 -9.029 -7.531 277 2HB LYS 87 HB2 LYS 87 -3.464 -9.603 -8.993 278 1HG LYS 87 HG1 LYS 87 -1.822 -11.639 -7.515 279 2HG LYS 87 HG2 LYS 87 -3.412 -11.278 -6.849 280 1HD LYS 87 HD1 LYS 87 -4.423 -11.707 -9.171 281 2HD LYS 87 HD2 LYS 87 -2.839 -12.066 -9.790 282 1HE LYS 87 HE1 LYS 87 -2.622 -14.040 -8.182 283 2HE LYS 87 HE2 LYS 87 -4.270 -13.658 -7.532 284 1HZ LYS 87 HZ1 LYS 87 -3.606 -14.326 -10.348 285 2HZ LYS 87 HZ2 LYS 87 -4.318 -15.362 -9.205 286 3HZ LYS 87 HZ3 LYS 87 -5.149 -13.978 -9.736 287 H VAL 88 HN VAL 88 -2.716 -7.617 -9.550 288 HA VAL 88 HA VAL 88 -3.117 -8.188 -12.159 289 HB VAL 88 HB VAL 88 -4.272 -6.383 -10.811 290 1HG1 VAL 88 HG11 VAL 88 -2.130 -5.356 -9.926 291 2HG1 VAL 88 HG12 VAL 88 -1.996 -4.509 -11.541 292 3HG1 VAL 88 HG13 VAL 88 -3.404 -4.192 -10.547 293 1HG2 VAL 88 HG23 VAL 88 -4.566 -6.295 -13.312 294 2HG2 VAL 88 HG21 VAL 88 -4.552 -4.649 -12.528 295 3HG2 VAL 88 HG22 VAL 88 -3.103 -5.187 -13.385 296 H ARG 89 HN ARG 89 -0.198 -6.856 -10.739 297 HA ARG 89 HA ARG 89 1.023 -6.152 -13.301 298 1HB ARG 89 HB1 ARG 89 2.266 -6.434 -10.541 299 2HB ARG 89 HB2 ARG 89 2.919 -5.598 -11.928 300 1HG ARG 89 HG1 ARG 89 0.622 -4.256 -11.761 301 2HG ARG 89 HG2 ARG 89 0.505 -4.874 -10.209 302 1HD ARG 89 HD1 ARG 89 2.581 -4.060 -9.336 303 2HD ARG 89 HD2 ARG 89 3.101 -3.442 -10.933 304 HE ARG 89 HE ARG 89 0.665 -2.434 -9.344 305 1HH1 ARG 89 HH22 ARG 89 2.536 -2.244 -12.280 306 2HH1 ARG 89 HH21 ARG 89 1.913 -0.685 -12.724 307 1HH2 ARG 89 HH12 ARG 89 0.184 -0.182 -9.716 308 2HH2 ARG 89 HH11 ARG 89 0.485 0.430 -11.306 309 H GLY 90 HN GLY 90 1.284 -8.538 -10.711 310 1HA GLY 90 HA2 GLY 90 1.818 -10.818 -11.137 311 2HA GLY 90 HA1 GLY 90 2.834 -10.342 -12.535 312 H LEU 91 HN LEU 91 2.695 -8.595 -9.428 313 HA LEU 91 HA LEU 91 5.562 -9.212 -9.105 314 1HB LEU 91 HB1 LEU 91 3.808 -6.860 -8.199 315 2HB LEU 91 HB2 LEU 91 5.479 -7.106 -7.650 316 HG LEU 91 HG LEU 91 4.402 -6.202 -10.326 317 1HD1 LEU 91 HD23 LEU 91 5.401 -4.599 -8.724 318 2HD1 LEU 91 HD21 LEU 91 6.962 -5.500 -8.803 319 3HD1 LEU 91 HD22 LEU 91 6.307 -4.694 -10.284 320 1HD2 LEU 91 HD12 LEU 91 6.934 -7.887 -10.123 321 2HD2 LEU 91 HD13 LEU 91 5.465 -8.167 -11.138 322 3HD2 LEU 91 HD11 LEU 91 6.529 -6.757 -11.490 323 H GLN 92 HN GLN 92 6.241 -8.922 -6.702 324 HA GLN 92 HA GLN 92 4.261 -10.364 -5.020 325 1HB GLN 92 HB1 GLN 92 7.280 -10.604 -4.795 326 2HB GLN 92 HB2 GLN 92 6.028 -11.546 -3.946 327 1HG GLN 92 HG1 GLN 92 5.292 -12.394 -6.298 328 2HG GLN 92 HG2 GLN 92 6.764 -11.608 -6.946 329 1HE2 GLN 92 HE21 GLN 92 7.883 -15.099 -6.112 330 2HE2 GLN 92 HE22 GLN 92 6.937 -14.325 -7.317 331 HA PRO 93 HA PRO 93 5.446 -6.901 -2.577 332 1HB PRO 93 HB1 PRO 93 3.416 -7.109 -0.756 333 2HB PRO 93 HB2 PRO 93 3.256 -6.309 -2.292 334 1HG PRO 93 HG1 PRO 93 2.234 -8.963 -1.409 335 2HG PRO 93 HG2 PRO 93 1.571 -7.878 -2.616 336 1HD PRO 93 HD1 PRO 93 3.007 -10.213 -3.146 337 2HD PRO 93 HD2 PRO 93 2.844 -8.898 -4.289 338 H GLU 94 HN GLU 94 5.261 -10.204 -1.783 339 HA GLU 94 HA GLU 94 5.500 -10.074 0.968 340 1HB GLU 94 HB1 GLU 94 6.434 -12.249 -0.967 341 2HB GLU 94 HB2 GLU 94 6.585 -12.419 0.794 342 1HG GLU 94 HG1 GLU 94 4.551 -13.556 0.139 343 2HG GLU 94 HG2 GLU 94 4.110 -12.086 1.103 344 H CYS 95 HN CYS 95 7.869 -9.339 -1.468 345 HA CYS 95 HA CYS 95 10.051 -9.642 0.509 346 1HB CYS 95 HB1 CYS 95 10.020 -9.257 -2.525 347 2HB CYS 95 HB2 CYS 95 11.493 -9.252 -1.527 348 HG1 CYS 95 HG1 CYS 95 11.041 -11.650 -0.440 349 H CYS 96 HN CYS 96 7.809 -7.376 -0.045 350 HA CYS 96 HA CYS 96 9.775 -5.171 -0.258 351 1HB CYS 96 HB1 CYS 96 6.793 -5.237 -0.924 352 2HB CYS 96 HB2 CYS 96 7.870 -3.870 -1.119 353 HG1 CYS 96 HG1 CYS 96 7.968 -6.779 -2.675 354 H ALA 97 HN ALA 97 8.855 -3.129 0.737 355 HA ALA 97 HA ALA 97 7.366 -3.721 3.222 356 1HB ALA 97 HB3 ALA 97 9.632 -1.680 2.951 357 2HB ALA 97 HB1 ALA 97 8.452 -1.736 4.293 358 3HB ALA 97 HB2 ALA 97 9.580 -3.122 4.065 359 H VAL 98 HN VAL 98 5.545 -2.504 3.338 360 HA VAL 98 HA VAL 98 5.174 -0.492 1.262 361 HB VAL 98 HB VAL 98 3.511 -2.275 1.335 362 1HG1 VAL 98 HG13 VAL 98 3.907 -2.218 4.142 363 2HG1 VAL 98 HG11 VAL 98 2.254 -1.727 3.893 364 3HG1 VAL 98 HG12 VAL 98 2.891 -3.307 3.136 365 1HG2 VAL 98 HG23 VAL 98 2.747 0.088 0.859 366 2HG2 VAL 98 HG21 VAL 98 1.484 -1.064 1.471 367 3HG2 VAL 98 HG22 VAL 98 2.165 0.139 2.586 368 H PHE 99 HN PHE 99 4.204 1.552 1.782 369 HA PHE 99 HA PHE 99 4.575 2.445 4.567 370 1HB PHE 99 HB1 PHE 99 6.031 3.466 2.045 371 2HB PHE 99 HB2 PHE 99 5.783 4.504 3.410 372 HD1 PHE 99 HD1 PHE 99 7.238 1.365 2.003 373 HD2 PHE 99 HD2 PHE 99 7.288 3.842 5.509 374 HE1 PHE 99 HE1 PHE 99 9.521 0.689 2.508 375 HE2 PHE 99 HE2 PHE 99 9.372 2.882 6.137 376 HZ PHE 99 HZ PHE 99 10.717 1.952 4.258 377 H ARG 100 HN ARG 100 3.830 4.767 4.767 378 HA ARG 100 HA ARG 100 1.951 5.672 2.598 379 1HB ARG 100 HB1 ARG 100 0.505 5.538 4.078 380 2HB ARG 100 HB2 ARG 100 1.708 5.620 5.410 381 1HG ARG 100 HG1 ARG 100 2.135 7.957 5.061 382 2HG ARG 100 HG2 ARG 100 0.884 8.014 3.764 383 1HD ARG 100 HD1 ARG 100 -0.665 6.976 5.714 384 2HD ARG 100 HD2 ARG 100 0.648 7.456 6.781 385 HE ARG 100 HE ARG 100 -1.163 9.192 4.907 386 1HH1 ARG 100 HH22 ARG 100 1.542 9.222 7.192 387 2HH1 ARG 100 HH21 ARG 100 1.520 10.952 7.380 388 1HH2 ARG 100 HH12 ARG 100 -1.419 11.383 5.488 389 2HH2 ARG 100 HH11 ARG 100 -0.198 12.189 6.439 390 H LEU 101 HN LEU 101 2.529 7.546 1.723 391 HA LEU 101 HA LEU 101 5.242 8.076 1.787 392 1HB LEU 101 HB1 LEU 101 2.842 9.590 0.520 393 2HB LEU 101 HB2 LEU 101 4.492 10.140 0.250 394 HG LEU 101 HG LEU 101 5.036 7.782 -0.644 395 1HD1 LEU 101 HD23 LEU 101 2.096 7.404 -0.289 396 2HD1 LEU 101 HD21 LEU 101 3.006 6.569 -1.588 397 3HD1 LEU 101 HD22 LEU 101 3.491 6.323 0.137 398 1HD2 LEU 101 HD13 LEU 101 4.536 9.749 -2.212 399 2HD2 LEU 101 HD11 LEU 101 3.964 8.170 -2.871 400 3HD2 LEU 101 HD12 LEU 101 2.777 9.308 -2.138 401 H LEU 102 HN LEU 102 6.024 10.529 1.734 402 HA LEU 102 HA LEU 102 5.779 11.269 4.443 403 1HB LEU 102 HB1 LEU 102 7.380 13.157 3.504 404 2HB LEU 102 HB2 LEU 102 7.930 11.522 3.984 405 HG LEU 102 HG LEU 102 7.840 10.735 1.668 406 1HD1 LEU 102 HD22 LEU 102 5.957 12.264 0.890 407 2HD1 LEU 102 HD23 LEU 102 7.113 13.612 0.869 408 3HD1 LEU 102 HD21 LEU 102 7.393 12.182 -0.225 409 1HD2 LEU 102 HD11 LEU 102 9.917 11.754 2.535 410 2HD2 LEU 102 HD12 LEU 102 9.705 11.910 0.749 411 3HD2 LEU 102 HD13 LEU 102 9.414 13.336 1.830 412 H HIS 103 HN HSP 103 3.538 11.947 4.604 413 HA HIS 103 HA HSP 103 2.985 14.488 3.239 414 1HB HIS 103 HB1 HSP 103 1.235 12.773 5.050 415 2HB HIS 103 HB2 HSP 103 0.727 14.265 4.182 416 HD1 HIS 103 HD1 HSP 103 1.853 10.681 3.568 417 HD2 HIS 103 HD2 HSP 103 0.003 13.824 1.492 418 HE1 HIS 103 HE1 HSP 103 0.912 9.720 1.422 419 HE2 HIS 103 HE2 HSP 103 -0.099 11.655 0.137 420 H GLU 104 HN GLU 104 4.202 13.157 6.240 421 HA GLU 104 HA GLU 104 4.207 15.899 7.312 422 1HB GLU 104 HB1 GLU 104 3.652 13.477 9.093 423 2HB GLU 104 HB2 GLU 104 3.684 15.175 9.561 424 1HG GLU 104 HG1 GLU 104 1.383 14.802 9.473 425 2HG GLU 104 HG2 GLU 104 1.699 15.550 7.859 426 H HIS 105 HN HSP 105 6.139 14.071 5.840 427 HA HIS 105 HA HSP 105 8.188 14.119 7.914 428 1HB HIS 105 HB1 HSP 105 8.598 11.743 6.230 429 2HB HIS 105 HB2 HSP 105 8.766 11.924 7.966 430 HD1 HIS 105 HD1 HSP 105 5.999 12.136 9.014 431 HD2 HIS 105 HD2 HSP 105 6.706 9.995 5.483 432 HE1 HIS 105 HE1 HSP 105 3.958 10.692 8.590 433 HE2 HIS 105 HE2 HSP 105 4.387 9.494 6.405 434 H LYS 106 HN LYS 106 10.416 13.741 6.704 435 HA LYS 106 HA LYS 106 10.142 14.294 3.842 436 1HB LYS 106 HB1 LYS 106 11.544 15.899 6.000 437 2HB LYS 106 HB2 LYS 106 12.429 15.669 4.508 438 1HG LYS 106 HG1 LYS 106 9.552 16.816 4.697 439 2HG LYS 106 HG2 LYS 106 11.016 17.798 4.672 440 1HD LYS 106 HD1 LYS 106 10.027 15.933 2.417 441 2HD LYS 106 HD2 LYS 106 9.956 17.695 2.417 442 1HE LYS 106 HE1 LYS 106 12.570 16.043 2.465 443 2HE LYS 106 HE2 LYS 106 11.847 16.848 1.022 444 1HZ LYS 106 HZ2 LYS 106 12.030 18.950 2.143 445 2HZ LYS 106 HZ3 LYS 106 12.720 18.212 3.504 446 3HZ LYS 106 HZ1 LYS 106 13.542 18.186 2.017 447 H GLY 107 HN GLY 107 11.849 13.452 2.620 448 1HA GLY 107 HA2 GLY 107 13.754 12.335 2.262 449 2HA GLY 107 HA1 GLY 107 14.010 12.125 4.021 450 H LYS 108 HN LYS 108 11.662 10.814 4.850 451 HA LYS 108 HA LYS 108 12.133 8.230 3.495 452 1HB LYS 108 HB1 LYS 108 11.364 8.858 6.380 453 2HB LYS 108 HB2 LYS 108 11.736 7.226 5.664 454 1HG LYS 108 HG1 LYS 108 13.739 9.503 6.010 455 2HG LYS 108 HG2 LYS 108 13.597 8.026 6.987 456 1HD LYS 108 HD1 LYS 108 13.990 6.635 4.870 457 2HD LYS 108 HD2 LYS 108 14.358 8.148 4.011 458 1HE LYS 108 HE1 LYS 108 15.817 7.210 6.575 459 2HE LYS 108 HE2 LYS 108 16.381 6.845 4.893 460 1HZ LYS 108 HZ2 LYS 108 16.466 9.198 4.464 461 2HZ LYS 108 HZ3 LYS 108 15.950 9.545 6.041 462 3HZ LYS 108 HZ1 LYS 108 17.445 8.778 5.788 463 H LYS 109 HN LYS 109 10.089 7.062 5.135 464 HA LYS 109 HA LYS 109 7.546 8.273 4.282 465 1HB LYS 109 HB1 LYS 109 9.025 5.847 3.318 466 2HB LYS 109 HB2 LYS 109 7.762 5.388 3.776 467 1HG LYS 109 HG1 LYS 109 7.551 7.938 2.010 468 2HG LYS 109 HG2 LYS 109 9.007 7.157 1.629 469 1HD LYS 109 HD1 LYS 109 6.354 5.658 1.385 470 2HD LYS 109 HD2 LYS 109 7.134 6.437 0.083 471 1HE LYS 109 HE1 LYS 109 8.582 4.329 1.819 472 2HE LYS 109 HE2 LYS 109 7.645 3.897 0.317 473 1HZ LYS 109 HZ2 LYS 109 9.103 5.490 -0.852 474 2HZ LYS 109 HZ3 LYS 109 10.030 5.651 0.574 475 3HZ LYS 109 HZ1 LYS 109 9.913 4.145 -0.233 476 H ALA 110 HN ALA 110 5.780 6.953 5.263 477 HA ALA 110 HA ALA 110 6.615 6.415 8.056 478 1HB ALA 110 HB2 ALA 110 3.826 7.073 7.084 479 2HB ALA 110 HB3 ALA 110 4.243 6.386 8.712 480 3HB ALA 110 HB1 ALA 110 4.861 7.999 8.264 481 H ARG 111 HN ARG 111 6.715 4.184 8.614 482 HA ARG 111 HA ARG 111 6.028 2.430 6.420 483 1HB ARG 111 HB1 ARG 111 8.248 2.459 7.674 484 2HB ARG 111 HB2 ARG 111 7.320 1.951 9.130 485 1HG ARG 111 HG1 ARG 111 6.964 0.324 6.610 486 2HG ARG 111 HG2 ARG 111 8.540 0.280 7.394 487 1HD ARG 111 HD1 ARG 111 7.396 -0.274 9.604 488 2HD ARG 111 HD2 ARG 111 5.864 -0.216 8.822 489 HE ARG 111 HE ARG 111 8.067 -2.130 7.799 490 1HH1 ARG 111 HH22 ARG 111 5.070 -1.912 9.649 491 2HH1 ARG 111 HH21 ARG 111 5.100 -3.586 9.993 492 1HH2 ARG 111 HH12 ARG 111 7.484 -4.332 7.538 493 2HH2 ARG 111 HH11 ARG 111 6.396 -4.978 8.718 494 H LEU 112 HN LEU 112 4.617 0.857 6.604 495 HA LEU 112 HA LEU 112 2.531 1.338 8.651 496 1HB LEU 112 HB1 LEU 112 2.464 0.173 5.818 497 2HB LEU 112 HB2 LEU 112 1.017 0.295 6.945 498 HG LEU 112 HG LEU 112 2.550 2.709 6.013 499 1HD1 LEU 112 HD13 LEU 112 0.036 1.398 4.895 500 2HD1 LEU 112 HD11 LEU 112 0.495 3.133 4.634 501 3HD1 LEU 112 HD12 LEU 112 1.567 1.803 4.049 502 1HD2 LEU 112 HD22 LEU 112 0.078 2.204 7.700 503 2HD2 LEU 112 HD23 LEU 112 1.521 3.177 8.079 504 3HD2 LEU 112 HD21 LEU 112 0.375 3.787 6.809 505 H ASP 113 HN ASP 113 1.637 -1.364 7.089 506 HA ASP 113 HA ASP 113 3.527 -3.160 8.096 507 1HB ASP 113 HB1 ASP 113 1.914 -2.641 10.157 508 2HB ASP 113 HB2 ASP 113 0.718 -3.629 9.232 509 H TRP 114 HN TRP 114 3.096 -5.222 7.016 510 HA TRP 114 HA TRP 114 1.357 -5.155 5.157 511 1HB TRP 114 HB1 TRP 114 3.245 -7.272 6.439 512 2HB TRP 114 HB2 TRP 114 2.116 -7.958 5.256 513 HD1 TRP 114 HD1 TRP 114 5.546 -7.402 4.854 514 HE1 TRP 114 HE1 TRP 114 6.165 -6.358 2.565 515 HE3 TRP 114 HE3 TRP 114 1.031 -6.031 3.625 516 HZ2 TRP 114 HZ2 TRP 114 4.567 -5.337 0.276 517 HZ3 TRP 114 HZ3 TRP 114 0.520 -4.833 1.497 518 HH2 TRP 114 HH2 TRP 114 2.141 -4.820 -0.237 519 H ASN 115 HN ASN 115 0.702 -6.010 8.329 520 HA ASN 115 HA ASN 115 -1.815 -7.291 7.439 521 1HB ASN 115 HB1 ASN 115 -0.109 -7.571 9.757 522 2HB ASN 115 HB2 ASN 115 -1.436 -6.629 10.351 523 1HD2 ASN 115 HD21 ASN 115 -3.949 -9.183 9.701 524 2HD2 ASN 115 HD22 ASN 115 -3.713 -7.465 9.661 525 H THR 116 HN THR 116 -0.885 -4.354 7.023 526 HA THR 116 HA THR 116 -2.203 -3.112 9.104 527 HB THR 116 HB THR 116 -0.265 -2.148 7.276 528 HG1 THR 116 HG1 THR 116 -1.093 -0.882 9.508 529 1HG2 THR 116 HG23 THR 116 -2.644 -0.292 8.317 530 2HG2 THR 116 HG21 THR 116 -1.126 0.319 7.549 531 3HG2 THR 116 HG22 THR 116 -2.333 -0.512 6.549 532 H ASP 117 HN ASP 117 -4.279 -2.249 9.127 533 HA ASP 117 HA ASP 117 -6.218 -2.947 7.279 534 1HB ASP 117 HB1 ASP 117 -7.204 -0.613 8.421 535 2HB ASP 117 HB2 ASP 117 -7.522 -2.340 8.891 536 H ALA 118 HN ALA 118 -5.499 -2.505 5.254 537 HA ALA 118 HA ALA 118 -5.020 -0.078 4.065 538 1HB ALA 118 HB2 ALA 118 -6.874 -2.368 3.073 539 2HB ALA 118 HB3 ALA 118 -6.133 -1.130 2.009 540 3HB ALA 118 HB1 ALA 118 -5.076 -2.328 2.873 541 H ALA 119 HN ALA 119 -7.813 -1.028 5.766 542 HA ALA 119 HA ALA 119 -9.593 0.946 4.496 543 1HB ALA 119 HB1 ALA 119 -9.254 -1.266 6.725 544 2HB ALA 119 HB2 ALA 119 -10.843 -0.351 6.605 545 3HB ALA 119 HB3 ALA 119 -10.270 -1.432 5.273 546 H SER 120 HN SER 120 -7.071 0.988 6.821 547 HA SER 120 HA SER 120 -8.396 3.355 7.882 548 1HB SER 120 HB1 SER 120 -5.940 1.860 9.077 549 2HB SER 120 HB2 SER 120 -6.771 3.270 9.841 550 HG SER 120 HG1 SER 120 -7.227 0.837 10.340 551 H LEU 121 HN LEU 121 -6.304 2.253 5.577 552 HA LEU 121 HA LEU 121 -4.632 4.592 5.436 553 1HB LEU 121 HB1 LEU 121 -5.913 2.543 3.537 554 2HB LEU 121 HB2 LEU 121 -4.678 3.721 3.006 555 HG LEU 121 HG LEU 121 -4.206 1.513 5.031 556 1HD1 LEU 121 HD21 LEU 121 -4.411 0.956 2.544 557 2HD1 LEU 121 HD22 LEU 121 -2.965 1.925 2.295 558 3HD1 LEU 121 HD23 LEU 121 -2.888 0.476 3.411 559 1HD2 LEU 121 HD12 LEU 121 -2.683 3.980 4.399 560 2HD2 LEU 121 HD13 LEU 121 -2.948 3.168 5.913 561 3HD2 LEU 121 HD11 LEU 121 -1.779 2.390 4.722 562 H ILE 122 HN ILE 122 -6.946 3.622 3.299 563 HA ILE 122 HA ILE 122 -8.026 4.778 1.666 564 HB ILE 122 HB ILE 122 -9.483 5.134 4.299 565 1HG1 ILE 122 HG11 ILE 122 -8.522 2.845 3.942 566 2HG1 ILE 122 HG12 ILE 122 -10.256 2.980 4.249 567 1HG2 ILE 122 HG23 ILE 122 -10.245 4.782 1.392 568 2HG2 ILE 122 HG21 ILE 122 -11.445 4.479 2.741 569 3HG2 ILE 122 HG22 ILE 122 -10.730 6.143 2.447 570 1HD1 ILE 122 HD3 ILE 122 -9.606 2.982 1.312 571 2HD1 ILE 122 HD1 ILE 122 -9.254 1.468 2.196 572 3HD1 ILE 122 HD2 ILE 122 -10.919 2.173 2.232 573 H GLY 123 HN GLY 123 -8.246 6.480 0.636 574 1HA GLY 123 HA2 GLY 123 -8.018 8.639 -0.047 575 2HA GLY 123 HA1 GLY 123 -8.384 9.082 1.655 576 H GLU 124 HN GLU 124 -5.558 7.095 0.670 577 HA GLU 124 HA GLU 124 -3.817 9.375 1.372 578 1HB GLU 124 HB1 GLU 124 -3.478 6.439 2.153 579 2HB GLU 124 HB2 GLU 124 -2.349 7.751 2.504 580 1HG GLU 124 HG1 GLU 124 -5.281 7.680 3.521 581 2HG GLU 124 HG2 GLU 124 -3.958 6.914 4.376 582 H GLU 125 HN GLU 125 -1.541 8.460 0.864 583 HA GLU 125 HA GLU 125 -1.586 7.123 -1.779 584 1HB GLU 125 HB1 GLU 125 0.474 9.152 -0.772 585 2HB GLU 125 HB2 GLU 125 0.767 8.040 -2.116 586 1HG GLU 125 HG1 GLU 125 -0.325 9.089 -3.666 587 2HG GLU 125 HG2 GLU 125 -1.762 9.328 -2.662 588 H LEU 126 HN LEU 126 -0.663 5.147 -1.724 589 HA LEU 126 HA LEU 126 1.073 4.635 0.583 590 1HB LEU 126 HB1 LEU 126 -0.415 2.675 -1.236 591 2HB LEU 126 HB2 LEU 126 0.868 2.163 -0.206 592 HG LEU 126 HG LEU 126 -1.888 2.507 0.505 593 1HD1 LEU 126 HD22 LEU 126 0.648 1.780 2.122 594 2HD1 LEU 126 HD23 LEU 126 -1.000 1.672 2.801 595 3HD1 LEU 126 HD21 LEU 126 -0.556 0.643 1.380 596 1HD2 LEU 126 HD11 LEU 126 -1.586 4.807 1.072 597 2HD2 LEU 126 HD12 LEU 126 -1.906 3.822 2.496 598 3HD2 LEU 126 HD13 LEU 126 -0.227 4.340 2.259 599 H GLN 127 HN GLN 127 3.060 3.479 0.182 600 HA GLN 127 HA GLN 127 3.809 3.303 -2.634 601 1HB GLN 127 HB1 GLN 127 4.831 5.512 -1.547 602 2HB GLN 127 HB2 GLN 127 5.882 4.382 -0.701 603 1HG GLN 127 HG1 GLN 127 5.918 3.587 -3.502 604 2HG GLN 127 HG2 GLN 127 5.878 5.415 -3.502 605 1HE2 GLN 127 HE21 GLN 127 9.319 3.634 -2.328 606 2HE2 GLN 127 HE22 GLN 127 7.953 2.678 -2.809 607 H VAL 128 HN VAL 128 5.381 1.636 -2.952 608 HA VAL 128 HA VAL 128 5.859 0.032 -0.505 609 HB VAL 128 HB VAL 128 5.166 -0.899 -3.298 610 1HG1 VAL 128 HG11 VAL 128 6.435 -2.525 -0.999 611 2HG1 VAL 128 HG12 VAL 128 5.721 -3.210 -2.511 612 3HG1 VAL 128 HG13 VAL 128 7.186 -2.192 -2.624 613 1HG2 VAL 128 HG21 VAL 128 3.305 -0.621 -1.617 614 2HG2 VAL 128 HG22 VAL 128 3.548 -2.296 -2.238 615 3HG2 VAL 128 HG23 VAL 128 4.123 -1.859 -0.574 616 H ASP 129 HN ASP 129 7.958 -0.696 -0.222 617 HA ASP 129 HA ASP 129 9.845 0.186 -2.297 618 1HB ASP 129 HB1 ASP 129 9.623 1.380 0.311 619 2HB ASP 129 HB2 ASP 129 11.000 0.244 0.455 620 H PHE 130 HN PHE 130 12.080 -0.983 -1.794 621 HA PHE 130 HA PHE 130 11.199 -3.760 -1.527 622 1HB PHE 130 HB1 PHE 130 12.549 -2.986 -3.583 623 2HB PHE 130 HB2 PHE 130 13.960 -2.818 -2.463 624 HD1 PHE 130 HD2 PHE 130 11.289 -5.089 -3.866 625 HD2 PHE 130 HD1 PHE 130 15.083 -4.912 -1.886 626 HE1 PHE 130 HE2 PHE 130 11.504 -7.514 -4.042 627 HE2 PHE 130 HE1 PHE 130 15.284 -7.341 -2.090 628 HZ PHE 130 HZ PHE 130 13.495 -8.654 -3.147 629 H LEU 131 HN LEU 131 12.387 -5.226 -0.224 630 HA LEU 131 HA LEU 131 13.526 -4.018 2.193 631 1HB LEU 131 HB1 LEU 131 13.134 -6.940 1.408 632 2HB LEU 131 HB2 LEU 131 13.626 -6.286 3.059 633 HG LEU 131 HG LEU 131 10.968 -5.741 1.663 634 1HD1 LEU 131 HD23 LEU 131 11.309 -8.158 2.219 635 2HD1 LEU 131 HD21 LEU 131 11.583 -7.710 3.918 636 3HD1 LEU 131 HD22 LEU 131 9.970 -7.348 3.147 637 1HD2 LEU 131 HD12 LEU 131 12.024 -5.118 4.466 638 2HD2 LEU 131 HD13 LEU 131 11.447 -3.964 3.207 639 3HD2 LEU 131 HD11 LEU 131 10.276 -5.096 4.000 640 H ASP 132 HN ASP 132 15.019 -6.831 1.993 641 HA ASP 132 HA ASP 132 17.185 -5.975 0.207 642 1HB ASP 132 HB1 ASP 132 17.644 -5.195 2.687 643 2HB ASP 132 HB2 ASP 132 17.845 -6.957 3.037 No H/Q in entry = 643 Start of MODEL 22 1 1H SER 55 HT2 SER 55 -13.608 7.958 2.754 2 2H SER 55 HT1 SER 55 -11.967 7.850 3.086 3 3H SER 55 HT3 SER 55 -12.571 9.213 2.248 4 HA SER 55 HA SER 55 -13.190 7.841 0.406 5 1HB SER 55 HB1 SER 55 -10.753 8.825 0.751 6 2HB SER 55 HB2 SER 55 -10.287 7.132 1.128 7 HG SER 55 HG1 SER 55 -11.346 8.247 -1.252 8 H ASN 56 HN ASN 56 -12.317 5.685 -0.702 9 HA ASN 56 HA ASN 56 -12.218 3.470 1.250 10 1HB ASN 56 HB1 ASN 56 -13.689 2.085 -0.140 11 2HB ASN 56 HB2 ASN 56 -14.510 3.411 0.764 12 1HD2 ASN 56 HD21 ASN 56 -14.270 3.617 -3.368 13 2HD2 ASN 56 HD22 ASN 56 -13.288 2.494 -2.500 14 H THR 57 HN THR 57 -10.496 5.201 -0.674 15 HA THR 57 HA THR 57 -9.465 2.927 -2.261 16 HB THR 57 HB THR 57 -9.013 4.359 -4.154 17 HG1 THR 57 HG1 THR 57 -10.167 6.395 -2.533 18 1HG2 THR 57 HG23 THR 57 -11.398 3.477 -4.039 19 2HG2 THR 57 HG21 THR 57 -11.886 5.029 -3.244 20 3HG2 THR 57 HG22 THR 57 -11.241 5.042 -4.927 21 H ILE 58 HN ILE 58 -7.199 2.911 -2.510 22 HA ILE 58 HA ILE 58 -5.792 5.226 -1.483 23 HB ILE 58 HB ILE 58 -4.407 2.675 -0.778 24 1HG1 ILE 58 HG11 ILE 58 -5.512 2.785 1.565 25 2HG1 ILE 58 HG12 ILE 58 -6.878 3.548 0.754 26 1HG2 ILE 58 HG22 ILE 58 -4.672 5.402 0.631 27 2HG2 ILE 58 HG23 ILE 58 -3.725 4.021 1.232 28 3HG2 ILE 58 HG21 ILE 58 -3.272 4.785 -0.348 29 1HD1 ILE 58 HD2 ILE 58 -5.594 0.810 0.017 30 2HD1 ILE 58 HD3 ILE 58 -7.095 1.031 0.999 31 3HD1 ILE 58 HD1 ILE 58 -7.088 1.503 -0.735 32 H ARG 59 HN ARG 59 -3.596 5.369 -2.512 33 HA ARG 59 HA ARG 59 -3.690 3.894 -5.044 34 1HB ARG 59 HB1 ARG 59 -2.557 6.573 -4.224 35 2HB ARG 59 HB2 ARG 59 -2.224 5.787 -5.791 36 1HG ARG 59 HG1 ARG 59 -4.277 6.173 -6.627 37 2HG ARG 59 HG2 ARG 59 -5.110 5.752 -5.235 38 1HD ARG 59 HD1 ARG 59 -3.603 8.459 -5.352 39 2HD ARG 59 HD2 ARG 59 -5.313 8.277 -5.907 40 HE ARG 59 HE ARG 59 -4.325 7.782 -3.063 41 1HH1 ARG 59 HH22 ARG 59 -6.919 7.214 -5.307 42 2HH1 ARG 59 HH21 ARG 59 -8.038 6.826 -4.035 43 1HH2 ARG 59 HH12 ARG 59 -5.873 7.781 -1.441 44 2HH2 ARG 59 HH11 ARG 59 -7.450 7.165 -1.842 45 H VAL 60 HN VAL 60 -2.056 2.577 -5.589 46 HA VAL 60 HA VAL 60 0.052 2.294 -3.507 47 HB VAL 60 HB VAL 60 -0.510 0.198 -5.591 48 1HG1 VAL 60 HG13 VAL 60 1.623 0.136 -4.256 49 2HG1 VAL 60 HG11 VAL 60 0.635 -0.040 -2.767 50 3HG1 VAL 60 HG12 VAL 60 0.550 -1.310 -4.056 51 1HG2 VAL 60 HG21 VAL 60 -1.916 0.383 -2.876 52 2HG2 VAL 60 HG22 VAL 60 -2.690 0.510 -4.504 53 3HG2 VAL 60 HG23 VAL 60 -1.917 -1.036 -3.996 54 H PHE 61 HN PHE 61 1.841 3.362 -4.081 55 HA PHE 61 HA PHE 61 2.453 3.634 -6.939 56 1HB PHE 61 HB1 PHE 61 3.456 4.962 -4.389 57 2HB PHE 61 HB2 PHE 61 4.435 5.028 -5.938 58 HD1 PHE 61 HD2 PHE 61 0.899 5.510 -4.644 59 HD2 PHE 61 HD1 PHE 61 3.921 6.785 -7.394 60 HE1 PHE 61 HE2 PHE 61 -0.434 7.471 -5.205 61 HE2 PHE 61 HE1 PHE 61 2.583 8.769 -7.912 62 HZ PHE 61 HZ PHE 61 0.438 9.150 -6.769 63 H LEU 62 HN LEU 62 4.403 2.743 -7.876 64 HA LEU 62 HA LEU 62 5.317 0.491 -6.207 65 1HB LEU 62 HB1 LEU 62 5.559 1.133 -9.159 66 2HB LEU 62 HB2 LEU 62 6.524 -0.144 -8.397 67 HG LEU 62 HG LEU 62 4.279 -0.832 -9.522 68 1HD1 LEU 62 HD12 LEU 62 5.807 -2.329 -8.238 69 2HD1 LEU 62 HD13 LEU 62 4.896 -1.899 -6.728 70 3HD1 LEU 62 HD11 LEU 62 4.059 -2.733 -8.084 71 1HD2 LEU 62 HD23 LEU 62 2.852 0.834 -8.289 72 2HD2 LEU 62 HD21 LEU 62 2.324 -0.888 -8.131 73 3HD2 LEU 62 HD22 LEU 62 3.178 -0.091 -6.766 74 HA PRO 63 HA PRO 63 9.120 2.434 -5.740 75 1HB PRO 63 HB1 PRO 63 10.807 0.199 -6.053 76 2HB PRO 63 HB2 PRO 63 10.275 0.951 -4.580 77 1HG PRO 63 HG1 PRO 63 9.319 -1.507 -5.837 78 2HG PRO 63 HG2 PRO 63 9.051 -0.965 -4.189 79 1HD PRO 63 HD1 PRO 63 7.103 -1.095 -6.156 80 2HD PRO 63 HD2 PRO 63 7.003 0.007 -4.847 81 H ASN 64 HN ASN 64 8.314 0.510 -8.592 82 HA ASN 64 HA ASN 64 10.513 1.746 -10.067 83 1HB ASN 64 HB1 ASN 64 9.558 0.588 -12.070 84 2HB ASN 64 HB2 ASN 64 10.214 -0.471 -10.780 85 1HD2 ASN 64 HD21 ASN 64 6.232 -0.694 -11.667 86 2HD2 ASN 64 HD22 ASN 64 7.287 0.415 -12.485 87 H LYS 65 HN LYS 65 8.332 3.296 -8.666 88 HA LYS 65 HA LYS 65 7.599 5.311 -9.070 89 1HB LYS 65 HB1 LYS 65 8.172 5.067 -12.054 90 2HB LYS 65 HB2 LYS 65 7.995 6.555 -11.085 91 1HG LYS 65 HG1 LYS 65 10.242 4.483 -10.714 92 2HG LYS 65 HG2 LYS 65 10.381 5.921 -11.731 93 1HD LYS 65 HD1 LYS 65 11.170 7.004 -9.893 94 2HD LYS 65 HD2 LYS 65 9.486 7.049 -9.318 95 1HE LYS 65 HE1 LYS 65 9.848 4.925 -8.038 96 2HE LYS 65 HE2 LYS 65 11.543 4.831 -8.673 97 1HZ LYS 65 HZ3 LYS 65 11.973 6.951 -7.639 98 2HZ LYS 65 HZ1 LYS 65 10.387 7.022 -7.040 99 3HZ LYS 65 HZ2 LYS 65 11.444 5.806 -6.503 100 H GLN 66 HN GLN 66 6.331 2.553 -10.387 101 HA GLN 66 HA GLN 66 4.258 3.687 -11.684 102 1HB GLN 66 HB1 GLN 66 4.919 0.924 -10.924 103 2HB GLN 66 HB2 GLN 66 3.147 1.187 -10.934 104 1HG GLN 66 HG1 GLN 66 5.058 1.961 -13.197 105 2HG GLN 66 HG2 GLN 66 4.487 0.280 -12.979 106 1HE2 GLN 66 HE21 GLN 66 1.849 3.084 -14.352 107 2HE2 GLN 66 HE22 GLN 66 3.524 3.302 -14.387 108 H ARG 67 HN ARG 67 1.813 2.909 -11.130 109 HA ARG 67 HA ARG 67 1.194 3.359 -8.363 110 1HB ARG 67 HB1 ARG 67 -0.221 5.382 -8.895 111 2HB ARG 67 HB2 ARG 67 1.531 5.641 -8.733 112 1HG ARG 67 HG1 ARG 67 0.693 5.032 -11.532 113 2HG ARG 67 HG2 ARG 67 -0.074 6.469 -10.868 114 1HD ARG 67 HD1 ARG 67 2.123 7.477 -10.278 115 2HD ARG 67 HD2 ARG 67 2.973 5.976 -10.807 116 HE ARG 67 HE ARG 67 1.239 7.556 -12.741 117 1HH1 ARG 67 HH22 ARG 67 4.503 6.810 -11.651 118 2HH1 ARG 67 HH21 ARG 67 5.191 7.837 -12.849 119 1HH2 ARG 67 HH12 ARG 67 2.239 8.116 -14.719 120 2HH2 ARG 67 HH11 ARG 67 3.925 8.503 -14.650 121 H THR 68 HN THR 68 -1.203 3.393 -8.092 122 HA THR 68 HA THR 68 -2.909 2.834 -10.200 123 HB THR 68 HB THR 68 -1.731 0.622 -10.405 124 HG1 THR 68 HG1 THR 68 -3.654 -0.605 -10.048 125 1HG2 THR 68 HG22 THR 68 -1.082 0.398 -7.946 126 2HG2 THR 68 HG23 THR 68 -2.813 0.009 -7.593 127 3HG2 THR 68 HG21 THR 68 -1.851 -1.063 -8.678 128 H VAL 69 HN VAL 69 -5.097 1.943 -9.189 129 HA VAL 69 HA VAL 69 -5.217 3.118 -6.464 130 HB VAL 69 HB VAL 69 -7.612 2.991 -8.295 131 1HG1 VAL 69 HG13 VAL 69 -6.937 4.709 -5.863 132 2HG1 VAL 69 HG11 VAL 69 -8.420 4.849 -6.891 133 3HG1 VAL 69 HG12 VAL 69 -8.113 3.340 -5.960 134 1HG2 VAL 69 HG22 VAL 69 -5.638 5.340 -8.165 135 2HG2 VAL 69 HG23 VAL 69 -6.029 4.325 -9.610 136 3HG2 VAL 69 HG21 VAL 69 -7.295 5.378 -8.886 137 H VAL 70 HN VAL 70 -6.234 1.863 -4.918 138 HA VAL 70 HA VAL 70 -7.426 -0.664 -5.902 139 HB VAL 70 HB VAL 70 -6.586 -1.766 -3.861 140 1HG1 VAL 70 HG12 VAL 70 -5.344 -2.021 -6.006 141 2HG1 VAL 70 HG13 VAL 70 -4.315 -0.619 -5.560 142 3HG1 VAL 70 HG11 VAL 70 -4.288 -2.121 -4.538 143 1HG2 VAL 70 HG23 VAL 70 -6.232 0.236 -2.424 144 2HG2 VAL 70 HG21 VAL 70 -4.782 -0.823 -2.526 145 3HG2 VAL 70 HG22 VAL 70 -4.825 0.715 -3.465 146 H ASN 71 HN ASN 71 -8.968 -1.570 -4.289 147 HA ASN 71 HA ASN 71 -10.254 0.617 -2.758 148 1HB ASN 71 HB1 ASN 71 -11.547 -1.623 -4.412 149 2HB ASN 71 HB2 ASN 71 -12.413 -0.749 -3.089 150 1HD2 ASN 71 HD21 ASN 71 -11.618 1.244 -6.621 151 2HD2 ASN 71 HD22 ASN 71 -10.825 -0.256 -6.277 152 H VAL 72 HN VAL 72 -11.120 -0.074 -0.714 153 HA VAL 72 HA VAL 72 -9.989 -2.677 0.096 154 HB VAL 72 HB VAL 72 -9.043 -0.566 1.209 155 1HG1 VAL 72 HG11 VAL 72 -11.331 0.557 1.451 156 2HG1 VAL 72 HG12 VAL 72 -11.649 -0.603 2.800 157 3HG1 VAL 72 HG13 VAL 72 -10.252 0.511 2.919 158 1HG2 VAL 72 HG21 VAL 72 -10.289 -2.765 2.942 159 2HG2 VAL 72 HG22 VAL 72 -8.608 -2.701 2.239 160 3HG2 VAL 72 HG23 VAL 72 -9.107 -1.542 3.510 161 H ARG 73 HN ARG 73 -11.358 -4.167 1.050 162 HA ARG 73 HA ARG 73 -14.178 -3.297 1.392 163 1HB ARG 73 HB1 ARG 73 -12.982 -5.982 0.568 164 2HB ARG 73 HB2 ARG 73 -14.600 -5.861 1.289 165 1HG ARG 73 HG1 ARG 73 -14.927 -5.928 -1.063 166 2HG ARG 73 HG2 ARG 73 -15.399 -4.336 -0.477 167 1HD ARG 73 HD1 ARG 73 -12.502 -4.602 -1.394 168 2HD ARG 73 HD2 ARG 73 -13.725 -4.895 -2.673 169 HE ARG 73 HE ARG 73 -13.542 -2.359 -0.970 170 1HH1 ARG 73 HH22 ARG 73 -15.509 -4.207 -3.146 171 2HH1 ARG 73 HH21 ARG 73 -16.489 -2.844 -3.571 172 1HH2 ARG 73 HH12 ARG 73 -14.495 -0.498 -1.874 173 2HH2 ARG 73 HH11 ARG 73 -15.910 -0.727 -2.844 174 H ASN 74 HN ASN 74 -15.099 -5.174 3.141 175 HA ASN 74 HA ASN 74 -13.553 -4.598 5.470 176 1HB ASN 74 HB1 ASN 74 -15.775 -6.646 5.394 177 2HB ASN 74 HB2 ASN 74 -15.253 -5.636 6.752 178 1HD2 ASN 74 HD21 ASN 74 -17.084 -2.706 5.676 179 2HD2 ASN 74 HD22 ASN 74 -15.811 -3.290 6.690 180 H GLY 75 HN GLY 75 -11.699 -5.645 5.806 181 1HA GLY 75 HA2 GLY 75 -10.511 -7.448 6.467 182 2HA GLY 75 HA1 GLY 75 -11.737 -8.556 5.784 183 H MET 76 HN MET 76 -9.443 -5.971 4.552 184 HA MET 76 HA MET 76 -8.790 -7.798 2.353 185 1HB MET 76 HB1 MET 76 -7.889 -4.897 2.832 186 2HB MET 76 HB2 MET 76 -7.460 -5.809 1.530 187 1HG MET 76 HG1 MET 76 -10.329 -5.044 2.473 188 2HG MET 76 HG2 MET 76 -9.431 -4.205 1.171 189 1HE MET 76 HE1 MET 76 -8.926 -4.922 -1.195 190 2HE MET 76 HE2 MET 76 -7.972 -6.342 -0.633 191 3HE MET 76 HE3 MET 76 -9.232 -6.547 -1.885 192 H SER 77 HN SER 77 -7.224 -5.713 4.823 193 HA SER 77 HA SER 77 -5.069 -5.698 5.570 194 1HB SER 77 HB1 SER 77 -5.149 -8.638 4.888 195 2HB SER 77 HB2 SER 77 -3.652 -7.850 4.983 196 HG SER 77 HG1 SER 77 -4.432 -7.042 7.156 197 H LEU 78 HN LEU 78 -3.246 -5.090 4.774 198 HA LEU 78 HA LEU 78 -2.938 -4.281 2.262 199 1HB LEU 78 HB1 LEU 78 -1.417 -4.426 4.691 200 2HB LEU 78 HB2 LEU 78 -0.454 -4.205 3.348 201 HG LEU 78 HG LEU 78 -3.074 -2.667 4.101 202 1HD1 LEU 78 HD22 LEU 78 -0.546 -1.946 4.913 203 2HD1 LEU 78 HD23 LEU 78 -2.029 -0.899 4.762 204 3HD1 LEU 78 HD21 LEU 78 -2.225 -2.328 5.693 205 1HD2 LEU 78 HD11 LEU 78 -1.417 -2.229 1.681 206 2HD2 LEU 78 HD12 LEU 78 -1.738 -0.754 2.807 207 3HD2 LEU 78 HD13 LEU 78 -0.276 -1.811 2.961 208 H HIS 79 HN HSP 79 -0.971 -6.793 3.521 209 HA HIS 79 HA HSP 79 0.096 -7.657 1.418 210 1HB HIS 79 HB1 HSP 79 -0.255 -9.055 3.883 211 2HB HIS 79 HB2 HSP 79 -0.811 -10.204 2.724 212 HD1 HIS 79 HD1 HSP 79 1.416 -9.147 0.505 213 HD2 HIS 79 HD2 HSP 79 2.261 -9.690 4.535 214 HE1 HIS 79 HE1 HSP 79 3.915 -8.841 0.929 215 HE2 HIS 79 HE2 HSP 79 4.371 -9.551 3.201 216 H ASP 80 HN ASP 80 -3.323 -8.273 2.040 217 HA ASP 80 HA ASP 80 -3.509 -9.674 -0.560 218 1HB ASP 80 HB1 ASP 80 -5.446 -9.315 1.753 219 2HB ASP 80 HB2 ASP 80 -5.922 -9.951 0.135 220 H CYS 81 HN CYS 81 -4.006 -6.693 1.170 221 HA CYS 81 HA CYS 81 -5.812 -5.622 -0.644 222 1HB CYS 81 HB1 CYS 81 -4.689 -4.804 1.917 223 2HB CYS 81 HB2 CYS 81 -4.119 -3.600 0.806 224 HG1 CYS 81 HG1 CYS 81 -6.243 -3.055 -0.581 225 H LEU 82 HN LEU 82 -2.273 -5.688 -0.566 226 HA LEU 82 HA LEU 82 -2.106 -3.921 -2.892 227 1HB LEU 82 HB1 LEU 82 -0.192 -5.401 -0.965 228 2HB LEU 82 HB2 LEU 82 0.390 -4.414 -2.223 229 HG LEU 82 HG LEU 82 -1.001 -3.781 0.370 230 1HD1 LEU 82 HD13 LEU 82 1.310 -2.606 -1.346 231 2HD1 LEU 82 HD11 LEU 82 0.453 -1.445 -0.331 232 3HD1 LEU 82 HD12 LEU 82 1.264 -2.833 0.480 233 1HD2 LEU 82 HD22 LEU 82 -1.576 -2.167 -2.062 234 2HD2 LEU 82 HD23 LEU 82 -2.648 -2.861 -0.862 235 3HD2 LEU 82 HD21 LEU 82 -1.619 -1.463 -0.334 236 H MET 83 HN MET 83 -2.186 -7.154 -1.980 237 HA MET 83 HA MET 83 -0.593 -8.417 -3.996 238 1HB MET 83 HB1 MET 83 -1.731 -9.680 -2.158 239 2HB MET 83 HB2 MET 83 -3.299 -8.976 -2.609 240 1HG MET 83 HG1 MET 83 -3.426 -11.116 -3.365 241 2HG MET 83 HG2 MET 83 -3.279 -10.118 -4.784 242 1HE MET 83 HE2 MET 83 -2.786 -13.066 -5.301 243 2HE MET 83 HE3 MET 83 -1.187 -13.812 -4.968 244 3HE MET 83 HE1 MET 83 -2.323 -13.486 -3.621 245 H LYS 84 HN LYS 84 -3.993 -7.022 -3.930 246 HA LYS 84 HA LYS 84 -4.718 -7.479 -6.323 247 1HB LYS 84 HB1 LYS 84 -5.707 -6.050 -4.330 248 2HB LYS 84 HB2 LYS 84 -4.499 -4.805 -4.662 249 1HG LYS 84 HG1 LYS 84 -6.973 -4.561 -5.476 250 2HG LYS 84 HG2 LYS 84 -5.637 -4.096 -6.571 251 1HD LYS 84 HD1 LYS 84 -5.736 -6.087 -7.833 252 2HD LYS 84 HD2 LYS 84 -6.664 -6.913 -6.677 253 1HE LYS 84 HE1 LYS 84 -8.261 -6.302 -8.510 254 2HE LYS 84 HE2 LYS 84 -8.655 -5.182 -7.146 255 1HZ LYS 84 HZ2 LYS 84 -6.859 -4.603 -9.443 256 2HZ LYS 84 HZ3 LYS 84 -8.457 -4.058 -9.258 257 3HZ LYS 84 HZ1 LYS 84 -7.246 -3.538 -8.184 258 H ALA 85 HN ALA 85 -2.828 -4.670 -5.422 259 HA ALA 85 HA ALA 85 -2.610 -3.879 -8.054 260 1HB ALA 85 HB3 ALA 85 -2.515 -2.501 -5.724 261 2HB ALA 85 HB1 ALA 85 -0.869 -3.228 -5.458 262 3HB ALA 85 HB2 ALA 85 -1.104 -2.022 -6.758 263 H LEU 86 HN LEU 86 -0.800 -6.225 -6.669 264 HA LEU 86 HA LEU 86 1.586 -5.734 -8.455 265 1HB LEU 86 HB1 LEU 86 1.262 -7.402 -5.921 266 2HB LEU 86 HB2 LEU 86 2.717 -7.055 -6.666 267 HG LEU 86 HG LEU 86 0.882 -4.762 -5.675 268 1HD1 LEU 86 HD23 LEU 86 1.215 -6.374 -3.926 269 2HD1 LEU 86 HD21 LEU 86 2.953 -5.805 -3.863 270 3HD1 LEU 86 HD22 LEU 86 1.544 -4.648 -3.643 271 1HD2 LEU 86 HD13 LEU 86 2.580 -4.073 -7.254 272 2HD2 LEU 86 HD11 LEU 86 2.791 -3.343 -5.624 273 3HD2 LEU 86 HD12 LEU 86 3.870 -4.716 -6.164 274 H LYS 87 HN LYS 87 -0.516 -8.188 -6.931 275 HA LYS 87 HA LYS 87 0.035 -10.264 -8.530 276 1HB LYS 87 HB1 LYS 87 -2.085 -9.780 -6.871 277 2HB LYS 87 HB2 LYS 87 -2.922 -9.276 -8.352 278 1HG LYS 87 HG1 LYS 87 -1.389 -11.938 -8.049 279 2HG LYS 87 HG2 LYS 87 -2.776 -11.638 -7.013 280 1HD LYS 87 HD1 LYS 87 -4.231 -11.286 -9.103 281 2HD LYS 87 HD2 LYS 87 -2.805 -11.592 -10.115 282 1HE LYS 87 HE1 LYS 87 -4.078 -13.640 -10.092 283 2HE LYS 87 HE2 LYS 87 -2.614 -13.930 -9.069 284 1HZ LYS 87 HZ2 LYS 87 -3.968 -13.446 -7.137 285 2HZ LYS 87 HZ3 LYS 87 -5.330 -13.191 -8.113 286 3HZ LYS 87 HZ1 LYS 87 -4.617 -14.730 -8.042 287 H VAL 88 HN VAL 88 -2.124 -7.601 -9.373 288 HA VAL 88 HA VAL 88 -2.663 -8.349 -11.961 289 HB VAL 88 HB VAL 88 -3.778 -6.461 -10.706 290 1HG1 VAL 88 HG13 VAL 88 -1.607 -5.381 -9.950 291 2HG1 VAL 88 HG11 VAL 88 -1.489 -4.675 -11.628 292 3HG1 VAL 88 HG12 VAL 88 -2.876 -4.244 -10.672 293 1HG2 VAL 88 HG21 VAL 88 -4.080 -6.558 -13.221 294 2HG2 VAL 88 HG22 VAL 88 -4.063 -4.857 -12.541 295 3HG2 VAL 88 HG23 VAL 88 -2.617 -5.456 -13.372 296 H ARG 89 HN ARG 89 0.289 -6.946 -10.654 297 HA ARG 89 HA ARG 89 1.459 -6.373 -13.257 298 1HB ARG 89 HB1 ARG 89 2.718 -6.562 -10.480 299 2HB ARG 89 HB2 ARG 89 3.405 -5.806 -11.889 300 1HG ARG 89 HG1 ARG 89 1.105 -4.425 -11.781 301 2HG ARG 89 HG2 ARG 89 1.012 -4.974 -10.189 302 1HD ARG 89 HD1 ARG 89 3.199 -4.144 -9.481 303 2HD ARG 89 HD2 ARG 89 3.527 -3.491 -11.124 304 HE ARG 89 HE ARG 89 1.229 -2.635 -9.259 305 1HH1 ARG 89 HH22 ARG 89 2.618 -2.369 -12.429 306 2HH1 ARG 89 HH21 ARG 89 1.862 -0.842 -12.765 307 1HH2 ARG 89 HH12 ARG 89 0.573 -0.416 -9.537 308 2HH2 ARG 89 HH11 ARG 89 0.599 0.200 -11.154 309 H GLY 90 HN GLY 90 1.750 -8.676 -10.601 310 1HA GLY 90 HA2 GLY 90 2.258 -10.970 -10.956 311 2HA GLY 90 HA1 GLY 90 3.238 -10.554 -12.399 312 H LEU 91 HN LEU 91 3.197 -8.736 -9.325 313 HA LEU 91 HA LEU 91 6.065 -9.326 -9.085 314 1HB LEU 91 HB1 LEU 91 4.281 -7.097 -7.961 315 2HB LEU 91 HB2 LEU 91 5.993 -7.303 -7.540 316 HG LEU 91 HG LEU 91 4.742 -6.371 -10.138 317 1HD1 LEU 91 HD23 LEU 91 5.617 -4.730 -8.506 318 2HD1 LEU 91 HD21 LEU 91 7.253 -5.480 -8.640 319 3HD1 LEU 91 HD22 LEU 91 6.497 -4.699 -10.083 320 1HD2 LEU 91 HD11 LEU 91 7.408 -7.843 -10.021 321 2HD2 LEU 91 HD12 LEU 91 5.955 -8.210 -11.027 322 3HD2 LEU 91 HD13 LEU 91 6.896 -6.707 -11.347 323 H GLN 92 HN GLN 92 6.871 -9.201 -6.744 324 HA GLN 92 HA GLN 92 5.100 -10.905 -5.088 325 1HB GLN 92 HB1 GLN 92 8.120 -10.471 -5.026 326 2HB GLN 92 HB2 GLN 92 7.242 -11.417 -3.846 327 1HG GLN 92 HG1 GLN 92 6.919 -12.037 -6.876 328 2HG GLN 92 HG2 GLN 92 8.473 -12.394 -6.131 329 1HE2 GLN 92 HE21 GLN 92 5.240 -14.552 -4.621 330 2HE2 GLN 92 HE22 GLN 92 4.952 -12.961 -5.180 331 HA PRO 93 HA PRO 93 5.352 -7.280 -2.621 332 1HB PRO 93 HB1 PRO 93 3.336 -7.883 -0.895 333 2HB PRO 93 HB2 PRO 93 3.059 -7.217 -2.482 334 1HG PRO 93 HG1 PRO 93 2.626 -10.007 -1.599 335 2HG PRO 93 HG2 PRO 93 1.789 -9.084 -2.836 336 1HD PRO 93 HD1 PRO 93 3.690 -11.022 -3.362 337 2HD PRO 93 HD2 PRO 93 3.337 -9.709 -4.458 338 H GLU 94 HN GLU 94 5.710 -10.626 -1.727 339 HA GLU 94 HA GLU 94 5.849 -10.259 1.035 340 1HB GLU 94 HB1 GLU 94 7.289 -12.466 -0.523 341 2HB GLU 94 HB2 GLU 94 6.882 -12.487 1.198 342 1HG GLU 94 HG1 GLU 94 5.066 -13.699 0.533 343 2HG GLU 94 HG2 GLU 94 4.344 -12.068 0.223 344 H CYS 95 HN CYS 95 8.172 -9.516 -1.472 345 HA CYS 95 HA CYS 95 10.382 -9.558 0.481 346 1HB CYS 95 HB1 CYS 95 10.303 -9.192 -2.554 347 2HB CYS 95 HB2 CYS 95 11.773 -9.086 -1.556 348 HG1 CYS 95 HG1 CYS 95 11.795 -11.423 -2.666 349 H CYS 96 HN CYS 96 7.932 -7.489 -0.186 350 HA CYS 96 HA CYS 96 9.712 -5.132 -0.382 351 1HB CYS 96 HB1 CYS 96 6.765 -5.470 -1.109 352 2HB CYS 96 HB2 CYS 96 7.695 -3.997 -1.261 353 HG1 CYS 96 HG1 CYS 96 9.556 -4.884 -2.865 354 H ALA 97 HN ALA 97 8.601 -3.164 0.573 355 HA ALA 97 HA ALA 97 7.092 -3.824 3.008 356 1HB ALA 97 HB2 ALA 97 9.380 -1.775 2.905 357 2HB ALA 97 HB3 ALA 97 8.213 -1.978 4.247 358 3HB ALA 97 HB1 ALA 97 9.385 -3.317 3.861 359 H VAL 98 HN VAL 98 5.308 -2.496 3.152 360 HA VAL 98 HA VAL 98 5.101 -0.463 1.038 361 HB VAL 98 HB VAL 98 3.399 -2.109 0.797 362 1HG1 VAL 98 HG13 VAL 98 2.881 -1.831 3.769 363 2HG1 VAL 98 HG11 VAL 98 1.839 -2.720 2.576 364 3HG1 VAL 98 HG12 VAL 98 3.510 -3.279 2.855 365 1HG2 VAL 98 HG21 VAL 98 2.208 0.283 2.294 366 2HG2 VAL 98 HG22 VAL 98 2.554 0.169 0.501 367 3HG2 VAL 98 HG23 VAL 98 1.304 -0.867 1.344 368 H PHE 99 HN PHE 99 4.067 1.554 1.603 369 HA PHE 99 HA PHE 99 4.360 2.325 4.433 370 1HB PHE 99 HB1 PHE 99 5.907 3.429 2.002 371 2HB PHE 99 HB2 PHE 99 5.596 4.438 3.387 372 HD1 PHE 99 HD1 PHE 99 7.048 1.292 1.961 373 HD2 PHE 99 HD2 PHE 99 7.116 3.768 5.471 374 HE1 PHE 99 HE1 PHE 99 9.285 0.524 2.520 375 HE2 PHE 99 HE2 PHE 99 9.173 2.766 6.116 376 HZ PHE 99 HZ PHE 99 10.509 1.788 4.245 377 H ARG 100 HN ARG 100 3.642 4.657 4.691 378 HA ARG 100 HA ARG 100 1.783 5.635 2.538 379 1HB ARG 100 HB1 ARG 100 0.371 5.520 4.085 380 2HB ARG 100 HB2 ARG 100 1.615 5.605 5.374 381 1HG ARG 100 HG1 ARG 100 2.077 7.919 5.005 382 2HG ARG 100 HG2 ARG 100 0.809 8.001 3.726 383 1HD ARG 100 HD1 ARG 100 -0.748 7.034 5.689 384 2HD ARG 100 HD2 ARG 100 0.590 7.444 6.744 385 HE ARG 100 HE ARG 100 -1.144 9.288 4.889 386 1HH1 ARG 100 HH22 ARG 100 1.628 9.204 7.070 387 2HH1 ARG 100 HH21 ARG 100 1.632 10.931 7.313 388 1HH2 ARG 100 HH12 ARG 100 -1.345 11.458 5.502 389 2HH2 ARG 100 HH11 ARG 100 -0.078 12.222 6.425 390 H LEU 101 HN LEU 101 2.401 7.541 1.692 391 HA LEU 101 HA LEU 101 5.122 8.020 1.764 392 1HB LEU 101 HB1 LEU 101 2.755 9.590 0.512 393 2HB LEU 101 HB2 LEU 101 4.419 10.113 0.256 394 HG LEU 101 HG LEU 101 4.933 7.762 -0.658 395 1HD1 LEU 101 HD22 LEU 101 2.011 7.397 -0.270 396 2HD1 LEU 101 HD23 LEU 101 2.866 6.611 -1.638 397 3HD1 LEU 101 HD21 LEU 101 3.406 6.292 0.060 398 1HD2 LEU 101 HD11 LEU 101 4.486 9.745 -2.210 399 2HD2 LEU 101 HD12 LEU 101 3.878 8.187 -2.892 400 3HD2 LEU 101 HD13 LEU 101 2.715 9.344 -2.153 401 H LEU 102 HN LEU 102 5.927 10.472 1.748 402 HA LEU 102 HA LEU 102 5.652 11.199 4.476 403 1HB LEU 102 HB1 LEU 102 7.359 13.031 3.533 404 2HB LEU 102 HB2 LEU 102 7.824 11.375 4.066 405 HG LEU 102 HG LEU 102 7.735 10.514 1.790 406 1HD1 LEU 102 HD21 LEU 102 6.003 12.181 0.923 407 2HD1 LEU 102 HD22 LEU 102 7.283 13.406 0.871 408 3HD1 LEU 102 HD23 LEU 102 7.446 11.908 -0.153 409 1HD2 LEU 102 HD11 LEU 102 9.535 12.947 2.094 410 2HD2 LEU 102 HD12 LEU 102 9.862 11.256 2.636 411 3HD2 LEU 102 HD13 LEU 102 9.704 11.621 0.877 412 H HIS 103 HN HSP 103 3.459 12.046 4.610 413 HA HIS 103 HA HSP 103 3.137 14.615 3.213 414 1HB HIS 103 HB1 HSP 103 1.153 13.150 4.987 415 2HB HIS 103 HB2 HSP 103 0.842 14.566 3.929 416 HD1 HIS 103 HD1 HSP 103 0.723 10.947 4.051 417 HD2 HIS 103 HD2 HSP 103 0.953 13.866 1.055 418 HE1 HIS 103 HE1 HSP 103 0.084 9.837 1.868 419 HE2 HIS 103 HE2 HSP 103 0.092 11.658 0.102 420 H GLU 104 HN GLU 104 4.384 13.307 6.144 421 HA GLU 104 HA GLU 104 4.263 16.006 7.313 422 1HB GLU 104 HB1 GLU 104 3.789 13.482 8.983 423 2HB GLU 104 HB2 GLU 104 3.790 15.152 9.544 424 1HG GLU 104 HG1 GLU 104 1.504 14.787 9.453 425 2HG GLU 104 HG2 GLU 104 1.795 15.576 7.853 426 H HIS 105 HN HSP 105 6.310 14.342 5.791 427 HA HIS 105 HA HSP 105 8.295 14.320 7.941 428 1HB HIS 105 HB1 HSP 105 8.564 12.065 6.000 429 2HB HIS 105 HB2 HSP 105 9.076 12.183 7.705 430 HD1 HIS 105 HD1 HSP 105 6.609 12.462 9.276 431 HD2 HIS 105 HD2 HSP 105 6.577 10.217 5.742 432 HE1 HIS 105 HE1 HSP 105 4.656 10.863 9.425 433 HE2 HIS 105 HE2 HSP 105 4.595 9.625 7.226 434 H LYS 106 HN LYS 106 10.539 14.301 6.934 435 HA LYS 106 HA LYS 106 10.385 15.974 4.614 436 1HB LYS 106 HB1 LYS 106 11.709 16.649 6.674 437 2HB LYS 106 HB2 LYS 106 12.730 15.226 6.444 438 1HG LYS 106 HG1 LYS 106 13.847 17.228 5.588 439 2HG LYS 106 HG2 LYS 106 13.541 16.112 4.250 440 1HD LYS 106 HD1 LYS 106 13.048 18.457 3.585 441 2HD LYS 106 HD2 LYS 106 11.594 17.455 3.488 442 1HE LYS 106 HE1 LYS 106 10.788 18.387 5.689 443 2HE LYS 106 HE2 LYS 106 12.308 19.370 5.818 444 1HZ LYS 106 HZ1 LYS 106 10.291 19.517 3.644 445 2HZ LYS 106 HZ2 LYS 106 10.475 20.617 4.925 446 3HZ LYS 106 HZ3 LYS 106 11.704 20.446 3.765 447 H GLY 107 HN GLY 107 11.880 12.979 5.689 448 1HA GLY 107 HA2 GLY 107 12.145 12.096 2.923 449 2HA GLY 107 HA1 GLY 107 13.662 12.407 3.838 450 H LYS 108 HN LYS 108 10.429 11.000 4.753 451 HA LYS 108 HA LYS 108 11.605 8.402 5.171 452 1HB LYS 108 HB1 LYS 108 10.652 10.060 7.512 453 2HB LYS 108 HB2 LYS 108 10.713 8.265 7.483 454 1HG LYS 108 HG1 LYS 108 13.231 8.715 6.649 455 2HG LYS 108 HG2 LYS 108 13.005 10.218 7.552 456 1HD LYS 108 HD1 LYS 108 12.333 8.677 9.565 457 2HD LYS 108 HD2 LYS 108 12.535 7.272 8.492 458 1HE LYS 108 HE1 LYS 108 14.542 7.423 9.838 459 2HE LYS 108 HE2 LYS 108 14.978 7.894 8.144 460 1HZ LYS 108 HZ2 LYS 108 14.356 9.750 10.379 461 2HZ LYS 108 HZ3 LYS 108 15.902 9.379 9.777 462 3HZ LYS 108 HZ1 LYS 108 14.779 10.190 8.797 463 H LYS 109 HN LYS 109 9.966 6.938 4.842 464 HA LYS 109 HA LYS 109 7.308 8.073 4.346 465 1HB LYS 109 HB1 LYS 109 8.907 5.770 3.296 466 2HB LYS 109 HB2 LYS 109 7.606 5.243 3.686 467 1HG LYS 109 HG1 LYS 109 7.111 7.774 2.077 468 2HG LYS 109 HG2 LYS 109 8.706 7.234 1.629 469 1HD LYS 109 HD1 LYS 109 6.111 5.611 1.344 470 2HD LYS 109 HD2 LYS 109 6.928 6.403 0.073 471 1HE LYS 109 HE1 LYS 109 8.340 4.245 1.768 472 2HE LYS 109 HE2 LYS 109 7.440 3.877 0.233 473 1HZ LYS 109 HZ1 LYS 109 8.912 5.492 -0.853 474 2HZ LYS 109 HZ2 LYS 109 9.793 5.651 0.595 475 3HZ LYS 109 HZ3 LYS 109 9.743 4.149 -0.227 476 H ALA 110 HN ALA 110 5.585 6.763 5.243 477 HA ALA 110 HA ALA 110 6.331 6.205 8.057 478 1HB ALA 110 HB2 ALA 110 3.544 6.845 7.048 479 2HB ALA 110 HB3 ALA 110 3.971 6.211 8.696 480 3HB ALA 110 HB1 ALA 110 4.562 7.826 8.189 481 H ARG 111 HN ARG 111 6.429 3.968 8.558 482 HA ARG 111 HA ARG 111 5.800 2.276 6.302 483 1HB ARG 111 HB1 ARG 111 7.989 2.287 7.608 484 2HB ARG 111 HB2 ARG 111 7.028 1.708 9.019 485 1HG ARG 111 HG1 ARG 111 6.744 0.174 6.444 486 2HG ARG 111 HG2 ARG 111 8.307 0.117 7.252 487 1HD ARG 111 HD1 ARG 111 7.149 -0.538 9.415 488 2HD ARG 111 HD2 ARG 111 5.617 -0.418 8.638 489 HE ARG 111 HE ARG 111 7.789 -2.323 7.534 490 1HH1 ARG 111 HH22 ARG 111 4.815 -2.131 9.415 491 2HH1 ARG 111 HH21 ARG 111 4.827 -3.815 9.708 492 1HH2 ARG 111 HH12 ARG 111 7.179 -4.508 7.198 493 2HH2 ARG 111 HH11 ARG 111 6.091 -5.183 8.364 494 H LEU 112 HN LEU 112 4.367 0.717 6.393 495 HA LEU 112 HA LEU 112 2.246 1.155 8.405 496 1HB LEU 112 HB1 LEU 112 2.202 0.013 5.567 497 2HB LEU 112 HB2 LEU 112 0.757 0.132 6.677 498 HG LEU 112 HG LEU 112 2.298 2.559 5.805 499 1HD1 LEU 112 HD11 LEU 112 -0.272 1.352 4.683 500 2HD1 LEU 112 HD12 LEU 112 0.316 3.043 4.396 501 3HD1 LEU 112 HD13 LEU 112 1.292 1.644 3.831 502 1HD2 LEU 112 HD23 LEU 112 -0.193 2.047 7.466 503 2HD2 LEU 112 HD21 LEU 112 1.261 2.985 7.890 504 3HD2 LEU 112 HD22 LEU 112 0.149 3.650 6.628 505 H ASP 113 HN ASP 113 1.317 -1.544 6.899 506 HA ASP 113 HA ASP 113 3.242 -3.337 7.892 507 1HB ASP 113 HB1 ASP 113 1.702 -2.822 9.980 508 2HB ASP 113 HB2 ASP 113 0.482 -3.838 9.101 509 H TRP 114 HN TRP 114 3.017 -5.240 6.718 510 HA TRP 114 HA TRP 114 1.494 -5.257 4.806 511 1HB TRP 114 HB1 TRP 114 3.258 -7.317 6.212 512 2HB TRP 114 HB2 TRP 114 2.108 -8.128 5.150 513 HD1 TRP 114 HD1 TRP 114 5.518 -7.651 4.630 514 HE1 TRP 114 HE1 TRP 114 6.178 -6.626 2.354 515 HE3 TRP 114 HE3 TRP 114 1.016 -6.160 3.320 516 HZ2 TRP 114 HZ2 TRP 114 4.660 -5.632 0.027 517 HZ3 TRP 114 HZ3 TRP 114 0.548 -5.224 1.069 518 HH2 TRP 114 HH2 TRP 114 2.309 -5.047 -0.560 519 H ASN 115 HN ASN 115 0.385 -6.037 7.862 520 HA ASN 115 HA ASN 115 -1.907 -7.571 6.780 521 1HB ASN 115 HB1 ASN 115 -0.394 -7.906 9.084 522 2HB ASN 115 HB2 ASN 115 -1.563 -6.766 9.710 523 1HD2 ASN 115 HD21 ASN 115 -4.295 -9.120 9.564 524 2HD2 ASN 115 HD22 ASN 115 -3.920 -7.441 9.545 525 H THR 116 HN THR 116 -1.182 -4.445 6.574 526 HA THR 116 HA THR 116 -2.662 -3.572 8.646 527 HB THR 116 HB THR 116 -0.564 -2.415 7.329 528 HG1 THR 116 HG1 THR 116 -1.071 -1.114 9.364 529 1HG2 THR 116 HG21 THR 116 -2.791 -0.732 6.718 530 2HG2 THR 116 HG22 THR 116 -2.765 -0.465 8.485 531 3HG2 THR 116 HG23 THR 116 -1.330 0.000 7.468 532 H ASP 117 HN ASP 117 -4.441 -2.187 8.812 533 HA ASP 117 HA ASP 117 -6.651 -2.686 6.957 534 1HB ASP 117 HB1 ASP 117 -6.818 -2.368 9.487 535 2HB ASP 117 HB2 ASP 117 -6.476 -0.631 9.177 536 H ALA 118 HN ALA 118 -5.749 -1.973 5.021 537 HA ALA 118 HA ALA 118 -4.782 0.529 4.297 538 1HB ALA 118 HB2 ALA 118 -5.439 -1.814 3.036 539 2HB ALA 118 HB3 ALA 118 -7.020 -1.045 2.812 540 3HB ALA 118 HB1 ALA 118 -5.546 -0.253 2.097 541 H ALA 119 HN ALA 119 -7.976 -0.340 5.456 542 HA ALA 119 HA ALA 119 -9.449 1.923 4.375 543 1HB ALA 119 HB1 ALA 119 -9.333 -0.499 6.288 544 2HB ALA 119 HB2 ALA 119 -10.595 0.756 6.702 545 3HB ALA 119 HB3 ALA 119 -10.616 -0.118 5.117 546 H SER 120 HN SER 120 -6.968 1.573 6.830 547 HA SER 120 HA SER 120 -7.988 3.984 8.195 548 1HB SER 120 HB1 SER 120 -7.119 2.099 9.599 549 2HB SER 120 HB2 SER 120 -5.510 2.321 8.821 550 HG SER 120 HG1 SER 120 -5.909 4.642 9.503 551 H LEU 121 HN LEU 121 -5.991 2.993 5.571 552 HA LEU 121 HA LEU 121 -4.364 5.485 5.736 553 1HB LEU 121 HB1 LEU 121 -3.998 3.063 3.892 554 2HB LEU 121 HB2 LEU 121 -2.925 4.409 4.044 555 HG LEU 121 HG LEU 121 -1.816 2.823 5.375 556 1HD1 LEU 121 HD22 LEU 121 -3.710 4.176 7.372 557 2HD1 LEU 121 HD23 LEU 121 -2.163 3.317 7.788 558 3HD1 LEU 121 HD21 LEU 121 -2.172 4.842 6.781 559 1HD2 LEU 121 HD11 LEU 121 -4.601 1.806 5.960 560 2HD2 LEU 121 HD12 LEU 121 -3.115 0.915 5.492 561 3HD2 LEU 121 HD13 LEU 121 -3.333 1.526 7.202 562 H ILE 122 HN ILE 122 -6.984 4.274 4.796 563 HA ILE 122 HA ILE 122 -7.365 4.797 2.243 564 HB ILE 122 HB ILE 122 -9.109 4.038 4.169 565 1HG1 ILE 122 HG11 ILE 122 -10.923 3.865 2.556 566 2HG1 ILE 122 HG12 ILE 122 -9.959 4.822 1.399 567 1HG2 ILE 122 HG22 ILE 122 -9.660 6.325 4.931 568 2HG2 ILE 122 HG23 ILE 122 -10.348 6.661 3.272 569 3HG2 ILE 122 HG21 ILE 122 -11.092 5.413 4.297 570 1HD1 ILE 122 HD1 ILE 122 -8.513 2.463 2.518 571 2HD1 ILE 122 HD2 ILE 122 -10.017 2.076 1.561 572 3HD1 ILE 122 HD3 ILE 122 -8.805 2.967 0.750 573 H GLY 123 HN GLY 123 -8.114 6.355 0.917 574 1HA GLY 123 HA2 GLY 123 -8.127 8.441 0.018 575 2HA GLY 123 HA1 GLY 123 -8.453 9.021 1.685 576 H GLU 124 HN GLU 124 -5.501 7.199 0.779 577 HA GLU 124 HA GLU 124 -3.956 9.716 1.074 578 1HB GLU 124 HB1 GLU 124 -3.210 6.944 2.103 579 2HB GLU 124 HB2 GLU 124 -2.279 8.433 2.292 580 1HG GLU 124 HG1 GLU 124 -5.149 8.184 3.408 581 2HG GLU 124 HG2 GLU 124 -3.779 7.469 4.255 582 H GLU 125 HN GLU 125 -1.534 8.577 0.709 583 HA GLU 125 HA GLU 125 -1.680 7.218 -1.920 584 1HB GLU 125 HB1 GLU 125 0.521 9.125 -0.969 585 2HB GLU 125 HB2 GLU 125 0.662 8.030 -2.356 586 1HG GLU 125 HG1 GLU 125 -0.380 9.248 -3.812 587 2HG GLU 125 HG2 GLU 125 -1.792 9.479 -2.761 588 H LEU 126 HN LEU 126 -0.657 5.282 -1.948 589 HA LEU 126 HA LEU 126 0.984 4.695 0.414 590 1HB LEU 126 HB1 LEU 126 -0.606 2.836 -1.441 591 2HB LEU 126 HB2 LEU 126 0.679 2.220 -0.418 592 HG LEU 126 HG LEU 126 -2.096 2.779 0.256 593 1HD1 LEU 126 HD21 LEU 126 0.246 1.700 1.960 594 2HD1 LEU 126 HD22 LEU 126 -1.505 1.561 2.365 595 3HD1 LEU 126 HD23 LEU 126 -0.849 0.706 0.916 596 1HD2 LEU 126 HD11 LEU 126 -1.478 4.963 1.096 597 2HD2 LEU 126 HD12 LEU 126 -1.876 3.864 2.426 598 3HD2 LEU 126 HD13 LEU 126 -0.158 4.182 2.160 599 H GLN 127 HN GLN 127 2.911 3.356 -0.005 600 HA GLN 127 HA GLN 127 3.708 3.292 -2.803 601 1HB GLN 127 HB1 GLN 127 4.671 5.500 -1.697 602 2HB GLN 127 HB2 GLN 127 5.725 4.403 -0.822 603 1HG GLN 127 HG1 GLN 127 5.872 3.586 -3.609 604 2HG GLN 127 HG2 GLN 127 5.729 5.396 -3.655 605 1HE2 GLN 127 HE21 GLN 127 9.256 3.826 -2.446 606 2HE2 GLN 127 HE22 GLN 127 7.949 2.797 -2.920 607 H VAL 128 HN VAL 128 5.434 1.716 -3.124 608 HA VAL 128 HA VAL 128 5.802 -0.011 -0.742 609 HB VAL 128 HB VAL 128 5.357 -0.749 -3.647 610 1HG1 VAL 128 HG13 VAL 128 6.407 -2.517 -1.352 611 2HG1 VAL 128 HG11 VAL 128 5.812 -3.114 -2.948 612 3HG1 VAL 128 HG12 VAL 128 7.287 -2.102 -2.892 613 1HG2 VAL 128 HG22 VAL 128 3.327 -0.566 -2.198 614 2HG2 VAL 128 HG23 VAL 128 3.652 -2.233 -2.797 615 3HG2 VAL 128 HG21 VAL 128 4.042 -1.794 -1.080 616 H ASP 129 HN ASP 129 7.877 -0.765 -0.360 617 HA ASP 129 HA ASP 129 9.905 0.149 -2.284 618 1HB ASP 129 HB1 ASP 129 9.556 1.181 0.406 619 2HB ASP 129 HB2 ASP 129 10.999 0.116 0.447 620 H PHE 130 HN PHE 130 12.080 -1.099 -1.714 621 HA PHE 130 HA PHE 130 11.166 -3.890 -1.515 622 1HB PHE 130 HB1 PHE 130 13.606 -4.278 -2.369 623 2HB PHE 130 HB2 PHE 130 12.312 -3.789 -3.512 624 HD1 PHE 130 HD2 PHE 130 15.261 -2.601 -1.569 625 HD2 PHE 130 HD1 PHE 130 12.268 -1.517 -4.433 626 HE1 PHE 130 HE2 PHE 130 16.488 -0.549 -2.089 627 HE2 PHE 130 HE1 PHE 130 13.507 0.534 -4.930 628 HZ PHE 130 HZ PHE 130 15.612 1.032 -3.760 629 H LEU 131 HN LEU 131 12.064 -5.322 0.012 630 HA LEU 131 HA LEU 131 13.698 -4.078 2.118 631 1HB LEU 131 HB1 LEU 131 12.399 -6.816 1.871 632 2HB LEU 131 HB2 LEU 131 13.374 -6.209 3.294 633 HG LEU 131 HG LEU 131 10.985 -4.604 2.441 634 1HD1 LEU 131 HD23 LEU 131 10.133 -6.897 2.533 635 2HD1 LEU 131 HD21 LEU 131 10.869 -7.135 4.147 636 3HD1 LEU 131 HD22 LEU 131 9.551 -5.897 3.927 637 1HD2 LEU 131 HD11 LEU 131 12.500 -5.125 5.055 638 2HD2 LEU 131 HD12 LEU 131 12.412 -3.601 4.114 639 3HD2 LEU 131 HD13 LEU 131 10.929 -4.238 4.943 640 H ASP 132 HN ASP 132 14.477 -7.143 2.319 641 HA ASP 132 HA ASP 132 17.025 -6.776 1.083 642 1HB ASP 132 HB1 ASP 132 15.876 -9.417 2.133 643 2HB ASP 132 HB2 ASP 132 17.626 -8.959 1.934 No H/Q in entry = 643 Start of MODEL 23 1 1H SER 55 HT2 SER 55 -13.507 7.578 3.299 2 2H SER 55 HT1 SER 55 -11.844 7.565 3.520 3 3H SER 55 HT3 SER 55 -12.590 8.936 2.828 4 HA SER 55 HA SER 55 -13.196 7.707 0.903 5 1HB SER 55 HB1 SER 55 -10.749 8.680 1.265 6 2HB SER 55 HB2 SER 55 -10.270 6.956 1.454 7 HG SER 55 HG1 SER 55 -11.335 8.329 -0.765 8 H ASN 56 HN ASN 56 -12.235 5.669 -0.384 9 HA ASN 56 HA ASN 56 -11.910 3.369 1.332 10 1HB ASN 56 HB1 ASN 56 -14.423 3.526 0.953 11 2HB ASN 56 HB2 ASN 56 -14.083 3.258 -0.798 12 1HD2 ASN 56 HD21 ASN 56 -14.009 -0.272 -0.069 13 2HD2 ASN 56 HD22 ASN 56 -14.505 1.020 -1.116 14 H THR 57 HN THR 57 -10.380 5.160 -0.468 15 HA THR 57 HA THR 57 -9.557 3.106 -2.409 16 HB THR 57 HB THR 57 -9.326 4.720 -4.207 17 HG1 THR 57 HG1 THR 57 -10.361 6.504 -2.251 18 1HG2 THR 57 HG21 THR 57 -11.625 3.639 -3.951 19 2HG2 THR 57 HG22 THR 57 -12.152 5.096 -3.020 20 3HG2 THR 57 HG23 THR 57 -11.651 5.260 -4.748 21 H ILE 58 HN ILE 58 -7.327 3.002 -2.644 22 HA ILE 58 HA ILE 58 -5.797 5.242 -1.537 23 HB ILE 58 HB ILE 58 -4.612 2.591 -0.923 24 1HG1 ILE 58 HG11 ILE 58 -6.939 3.500 0.792 25 2HG1 ILE 58 HG12 ILE 58 -6.908 2.082 -0.287 26 1HG2 ILE 58 HG23 ILE 58 -3.406 4.658 -0.384 27 2HG2 ILE 58 HG21 ILE 58 -4.772 5.204 0.677 28 3HG2 ILE 58 HG22 ILE 58 -3.830 3.745 1.110 29 1HD1 ILE 58 HD3 ILE 58 -4.898 1.169 0.950 30 2HD1 ILE 58 HD1 ILE 58 -5.149 2.473 2.181 31 3HD1 ILE 58 HD2 ILE 58 -6.438 1.245 1.891 32 H ARG 59 HN ARG 59 -3.634 5.363 -2.564 33 HA ARG 59 HA ARG 59 -3.689 3.879 -5.095 34 1HB ARG 59 HB1 ARG 59 -2.140 6.345 -4.197 35 2HB ARG 59 HB2 ARG 59 -2.019 5.574 -5.795 36 1HG ARG 59 HG1 ARG 59 -3.713 6.786 -6.538 37 2HG ARG 59 HG2 ARG 59 -4.799 5.931 -5.501 38 1HD ARG 59 HD1 ARG 59 -3.920 7.720 -3.620 39 2HD ARG 59 HD2 ARG 59 -3.556 8.687 -5.099 40 HE ARG 59 HE ARG 59 -5.934 8.443 -5.809 41 1HH1 ARG 59 HH22 ARG 59 -5.394 7.319 -2.501 42 2HH1 ARG 59 HH21 ARG 59 -7.033 6.776 -2.337 43 1HH2 ARG 59 HH12 ARG 59 -8.134 8.337 -5.251 44 2HH2 ARG 59 HH11 ARG 59 -8.597 7.394 -3.872 45 H VAL 60 HN VAL 60 -1.647 2.987 -5.848 46 HA VAL 60 HA VAL 60 0.182 2.374 -3.599 47 HB VAL 60 HB VAL 60 -0.469 0.246 -5.628 48 1HG1 VAL 60 HG12 VAL 60 1.638 0.082 -4.298 49 2HG1 VAL 60 HG13 VAL 60 0.651 0.046 -2.794 50 3HG1 VAL 60 HG11 VAL 60 0.471 -1.272 -4.026 51 1HG2 VAL 60 HG22 VAL 60 -1.915 0.638 -2.954 52 2HG2 VAL 60 HG23 VAL 60 -2.642 0.655 -4.609 53 3HG2 VAL 60 HG21 VAL 60 -1.929 -0.866 -3.954 54 H PHE 61 HN PHE 61 2.052 3.273 -4.160 55 HA PHE 61 HA PHE 61 2.663 3.524 -7.013 56 1HB PHE 61 HB1 PHE 61 3.606 4.853 -4.476 57 2HB PHE 61 HB2 PHE 61 4.704 4.830 -5.967 58 HD1 PHE 61 HD2 PHE 61 1.120 5.430 -4.874 59 HD2 PHE 61 HD1 PHE 61 4.321 6.603 -7.461 60 HE1 PHE 61 HE2 PHE 61 -0.223 7.291 -5.704 61 HE2 PHE 61 HE1 PHE 61 3.007 8.546 -8.171 62 HZ PHE 61 HZ PHE 61 0.755 8.925 -7.245 63 H LEU 62 HN LEU 62 4.579 2.604 -7.971 64 HA LEU 62 HA LEU 62 5.261 0.187 -6.450 65 1HB LEU 62 HB1 LEU 62 5.688 1.054 -9.328 66 2HB LEU 62 HB2 LEU 62 6.520 -0.360 -8.650 67 HG LEU 62 HG LEU 62 4.312 -0.785 -9.922 68 1HD1 LEU 62 HD13 LEU 62 5.616 -2.498 -8.693 69 2HD1 LEU 62 HD11 LEU 62 4.709 -2.079 -7.183 70 3HD1 LEU 62 HD12 LEU 62 3.837 -2.753 -8.614 71 1HD2 LEU 62 HD22 LEU 62 2.922 0.889 -8.728 72 2HD2 LEU 62 HD23 LEU 62 2.270 -0.795 -8.653 73 3HD2 LEU 62 HD21 LEU 62 3.091 -0.090 -7.213 74 HA PRO 63 HA PRO 63 9.230 1.726 -5.741 75 1HB PRO 63 HB1 PRO 63 10.406 -0.893 -6.484 76 2HB PRO 63 HB2 PRO 63 10.557 0.001 -4.991 77 1HG PRO 63 HG1 PRO 63 8.965 -2.259 -5.418 78 2HG PRO 63 HG2 PRO 63 8.723 -1.163 -4.110 79 1HD PRO 63 HD1 PRO 63 6.918 -1.550 -6.287 80 2HD PRO 63 HD2 PRO 63 6.772 -0.394 -5.034 81 H ASN 64 HN ASN 64 8.313 0.066 -8.746 82 HA ASN 64 HA ASN 64 10.602 1.238 -10.119 83 1HB ASN 64 HB1 ASN 64 9.620 0.280 -12.199 84 2HB ASN 64 HB2 ASN 64 10.140 -0.909 -10.961 85 1HD2 ASN 64 HD21 ASN 64 6.177 -0.696 -11.959 86 2HD2 ASN 64 HD22 ASN 64 7.341 0.391 -12.647 87 H LYS 65 HN LYS 65 8.558 2.884 -8.651 88 HA LYS 65 HA LYS 65 8.011 4.975 -8.949 89 1HB LYS 65 HB1 LYS 65 8.557 4.831 -11.945 90 2HB LYS 65 HB2 LYS 65 8.509 6.278 -10.907 91 1HG LYS 65 HG1 LYS 65 10.578 4.009 -10.658 92 2HG LYS 65 HG2 LYS 65 10.833 5.488 -11.586 93 1HD LYS 65 HD1 LYS 65 11.706 6.398 -9.699 94 2HD LYS 65 HD2 LYS 65 10.033 6.544 -9.111 95 1HE LYS 65 HE1 LYS 65 10.224 4.347 -7.938 96 2HE LYS 65 HE2 LYS 65 11.891 4.120 -8.616 97 1HZ LYS 65 HZ2 LYS 65 12.551 6.127 -7.489 98 2HZ LYS 65 HZ3 LYS 65 10.991 6.329 -6.851 99 3HZ LYS 65 HZ1 LYS 65 11.928 4.986 -6.399 100 H GLN 66 HN GLN 66 6.516 2.426 -10.487 101 HA GLN 66 HA GLN 66 4.548 3.851 -11.688 102 1HB GLN 66 HB1 GLN 66 4.962 0.968 -11.192 103 2HB GLN 66 HB2 GLN 66 3.325 1.319 -11.211 104 1HG GLN 66 HG1 GLN 66 5.244 2.365 -13.405 105 2HG GLN 66 HG2 GLN 66 4.638 0.701 -13.446 106 1HE2 GLN 66 HE21 GLN 66 1.252 1.749 -14.312 107 2HE2 GLN 66 HE22 GLN 66 2.226 0.449 -13.727 108 H ARG 67 HN ARG 67 2.072 2.904 -11.176 109 HA ARG 67 HA ARG 67 1.424 3.484 -8.400 110 1HB ARG 67 HB1 ARG 67 -0.021 5.410 -9.063 111 2HB ARG 67 HB2 ARG 67 1.714 5.741 -8.996 112 1HG ARG 67 HG1 ARG 67 0.675 4.836 -11.684 113 2HG ARG 67 HG2 ARG 67 0.015 6.354 -11.111 114 1HD ARG 67 HD1 ARG 67 2.050 7.513 -11.193 115 2HD ARG 67 HD2 ARG 67 3.021 6.065 -10.826 116 HE ARG 67 HE ARG 67 2.670 5.173 -13.120 117 1HH1 ARG 67 HH22 ARG 67 0.723 8.006 -12.624 118 2HH1 ARG 67 HH21 ARG 67 0.282 8.103 -14.296 119 1HH2 ARG 67 HH12 ARG 67 2.498 5.577 -15.331 120 2HH2 ARG 67 HH11 ARG 67 1.313 6.732 -15.847 121 H THR 68 HN THR 68 -0.985 3.507 -8.162 122 HA THR 68 HA THR 68 -2.644 2.802 -10.273 123 HB THR 68 HB THR 68 -1.502 0.554 -10.212 124 HG1 THR 68 HG1 THR 68 -3.506 -0.577 -9.774 125 1HG2 THR 68 HG22 THR 68 -0.893 0.476 -7.807 126 2HG2 THR 68 HG23 THR 68 -2.653 0.295 -7.386 127 3HG2 THR 68 HG21 THR 68 -1.805 -0.969 -8.352 128 H VAL 69 HN VAL 69 -4.857 1.967 -9.216 129 HA VAL 69 HA VAL 69 -5.032 3.245 -6.548 130 HB VAL 69 HB VAL 69 -7.380 3.277 -8.423 131 1HG1 VAL 69 HG12 VAL 69 -6.634 5.005 -6.025 132 2HG1 VAL 69 HG13 VAL 69 -8.113 5.160 -7.051 133 3HG1 VAL 69 HG11 VAL 69 -7.848 3.668 -6.078 134 1HG2 VAL 69 HG21 VAL 69 -5.253 5.494 -8.265 135 2HG2 VAL 69 HG22 VAL 69 -5.671 4.500 -9.718 136 3HG2 VAL 69 HG23 VAL 69 -6.885 5.636 -9.030 137 H VAL 70 HN VAL 70 -6.070 1.996 -5.047 138 HA VAL 70 HA VAL 70 -7.551 -0.348 -6.063 139 HB VAL 70 HB VAL 70 -6.587 -1.699 -4.229 140 1HG1 VAL 70 HG11 VAL 70 -5.595 -1.835 -6.525 141 2HG1 VAL 70 HG12 VAL 70 -4.386 -0.594 -6.040 142 3HG1 VAL 70 HG13 VAL 70 -4.438 -2.204 -5.191 143 1HG2 VAL 70 HG23 VAL 70 -4.707 0.681 -3.790 144 2HG2 VAL 70 HG21 VAL 70 -5.912 -0.004 -2.627 145 3HG2 VAL 70 HG22 VAL 70 -4.471 -0.973 -3.128 146 H ASN 71 HN ASN 71 -9.050 -1.188 -4.401 147 HA ASN 71 HA ASN 71 -9.725 0.889 -2.414 148 1HB ASN 71 HB1 ASN 71 -12.067 0.448 -2.765 149 2HB ASN 71 HB2 ASN 71 -11.287 0.880 -4.348 150 1HD2 ASN 71 HD21 ASN 71 -13.306 -2.438 -4.514 151 2HD2 ASN 71 HD22 ASN 71 -13.601 -1.141 -3.414 152 H VAL 72 HN VAL 72 -10.973 0.011 -0.536 153 HA VAL 72 HA VAL 72 -9.874 -2.635 0.187 154 HB VAL 72 HB VAL 72 -11.113 -0.450 1.902 155 1HG1 VAL 72 HG13 VAL 72 -11.516 -2.789 2.800 156 2HG1 VAL 72 HG11 VAL 72 -9.691 -3.006 2.837 157 3HG1 VAL 72 HG12 VAL 72 -10.478 -1.760 3.834 158 1HG2 VAL 72 HG22 VAL 72 -8.819 0.135 1.100 159 2HG2 VAL 72 HG23 VAL 72 -8.854 -0.225 2.878 160 3HG2 VAL 72 HG21 VAL 72 -8.203 -1.436 1.710 161 H ARG 73 HN ARG 73 -11.250 -4.380 0.378 162 HA ARG 73 HA ARG 73 -14.000 -3.857 -0.366 163 1HB ARG 73 HB1 ARG 73 -12.679 -5.659 -1.525 164 2HB ARG 73 HB2 ARG 73 -12.548 -6.525 0.008 165 1HG ARG 73 HG1 ARG 73 -14.405 -7.184 -1.763 166 2HG ARG 73 HG2 ARG 73 -14.857 -7.171 -0.078 167 1HD ARG 73 HD1 ARG 73 -15.839 -4.794 -0.449 168 2HD ARG 73 HD2 ARG 73 -15.423 -5.008 -2.232 169 HE ARG 73 HE ARG 73 -17.161 -6.949 -0.637 170 1HH1 ARG 73 HH22 ARG 73 -17.195 -3.975 -2.367 171 2HH1 ARG 73 HH21 ARG 73 -18.886 -4.089 -2.718 172 1HH2 ARG 73 HH12 ARG 73 -19.197 -7.413 -1.621 173 2HH2 ARG 73 HH11 ARG 73 -20.037 -6.041 -2.258 174 H ASN 74 HN ASN 74 -14.326 -6.633 1.241 175 HA ASN 74 HA ASN 74 -15.407 -5.254 3.553 176 1HB ASN 74 HB1 ASN 74 -15.385 -8.209 2.885 177 2HB ASN 74 HB2 ASN 74 -16.373 -7.413 4.150 178 1HD2 ASN 74 HD21 ASN 74 -18.572 -5.693 1.767 179 2HD2 ASN 74 HD22 ASN 74 -17.774 -5.471 3.287 180 H GLY 75 HN GLY 75 -13.116 -4.759 4.022 181 1HA GLY 75 HA2 GLY 75 -11.667 -4.864 5.773 182 2HA GLY 75 HA1 GLY 75 -12.219 -6.532 6.127 183 H MET 76 HN MET 76 -10.666 -4.954 3.240 184 HA MET 76 HA MET 76 -8.938 -7.170 2.961 185 1HB MET 76 HB1 MET 76 -8.984 -4.415 1.644 186 2HB MET 76 HB2 MET 76 -7.713 -5.588 1.308 187 1HG MET 76 HG1 MET 76 -9.470 -7.300 0.648 188 2HG MET 76 HG2 MET 76 -10.698 -6.130 0.877 189 1HE MET 76 HE2 MET 76 -10.960 -7.121 -1.857 190 2HE MET 76 HE3 MET 76 -9.853 -6.624 -3.178 191 3HE MET 76 HE1 MET 76 -9.305 -7.814 -1.962 192 H SER 77 HN SER 77 -6.614 -7.083 2.994 193 HA SER 77 HA SER 77 -5.559 -5.420 5.245 194 1HB SER 77 HB1 SER 77 -4.120 -7.570 3.644 195 2HB SER 77 HB2 SER 77 -3.660 -6.926 5.128 196 HG SER 77 HG1 SER 77 -5.585 -8.887 4.504 197 H LEU 78 HN LEU 78 -3.355 -4.611 4.877 198 HA LEU 78 HA LEU 78 -2.560 -3.518 2.581 199 1HB LEU 78 HB1 LEU 78 -1.161 -4.838 4.881 200 2HB LEU 78 HB2 LEU 78 -0.160 -4.606 3.417 201 HG LEU 78 HG LEU 78 0.072 -2.765 5.015 202 1HD1 LEU 78 HD22 LEU 78 0.069 -2.642 2.289 203 2HD1 LEU 78 HD23 LEU 78 -1.337 -1.651 2.565 204 3HD1 LEU 78 HD21 LEU 78 0.063 -1.033 3.354 205 1HD2 LEU 78 HD12 LEU 78 -2.347 -2.431 5.562 206 2HD2 LEU 78 HD13 LEU 78 -1.558 -0.915 4.814 207 3HD2 LEU 78 HD11 LEU 78 -2.681 -1.967 3.903 208 H HIS 79 HN HSP 79 -1.405 -6.789 3.481 209 HA HIS 79 HA HSP 79 -0.425 -7.555 1.190 210 1HB HIS 79 HB1 HSP 79 -2.038 -9.184 3.244 211 2HB HIS 79 HB2 HSP 79 -1.352 -9.974 1.817 212 HD1 HIS 79 HD1 HSP 79 -0.582 -10.243 4.948 213 HD2 HIS 79 HD2 HSP 79 1.806 -8.610 1.928 214 HE1 HIS 79 HE1 HSP 79 1.876 -10.551 5.526 215 HE2 HIS 79 HE2 HSP 79 3.155 -10.135 3.402 216 H ASP 80 HN ASP 80 -3.923 -8.250 2.028 217 HA ASP 80 HA ASP 80 -4.366 -9.375 -0.514 218 1HB ASP 80 HB1 ASP 80 -6.511 -8.088 1.274 219 2HB ASP 80 HB2 ASP 80 -6.725 -9.425 0.077 220 H CYS 81 HN CYS 81 -4.463 -6.115 0.783 221 HA CYS 81 HA CYS 81 -5.923 -4.955 -1.333 222 1HB CYS 81 HB1 CYS 81 -5.611 -3.894 0.899 223 2HB CYS 81 HB2 CYS 81 -3.995 -4.122 0.947 224 HG1 CYS 81 HG1 CYS 81 -4.411 -2.457 -1.716 225 H LEU 82 HN LEU 82 -2.526 -5.179 -0.602 226 HA LEU 82 HA LEU 82 -1.693 -3.815 -2.970 227 1HB LEU 82 HB1 LEU 82 -0.287 -5.496 -0.810 228 2HB LEU 82 HB2 LEU 82 0.617 -4.875 -2.096 229 HG LEU 82 HG LEU 82 -0.229 -3.745 0.373 230 1HD1 LEU 82 HD12 LEU 82 1.033 -2.455 -2.181 231 2HD1 LEU 82 HD13 LEU 82 0.677 -1.399 -0.777 232 3HD1 LEU 82 HD11 LEU 82 1.867 -2.752 -0.596 233 1HD2 LEU 82 HD23 LEU 82 -1.799 -2.324 -1.736 234 2HD2 LEU 82 HD21 LEU 82 -2.329 -3.121 -0.207 235 3HD2 LEU 82 HD22 LEU 82 -1.366 -1.621 -0.105 236 H MET 83 HN MET 83 -1.627 -7.163 -1.854 237 HA MET 83 HA MET 83 -0.218 -8.392 -3.945 238 1HB MET 83 HB1 MET 83 -1.160 -9.482 -1.874 239 2HB MET 83 HB2 MET 83 -2.777 -9.087 -2.362 240 1HG MET 83 HG1 MET 83 -2.782 -11.233 -2.905 241 2HG MET 83 HG2 MET 83 -2.768 -10.378 -4.390 242 1HE MET 83 HE1 MET 83 -0.837 -12.669 -1.854 243 2HE MET 83 HE2 MET 83 0.863 -12.707 -2.422 244 3HE MET 83 HE3 MET 83 0.201 -11.212 -1.690 245 H LYS 84 HN LYS 84 -3.504 -6.975 -3.863 246 HA LYS 84 HA LYS 84 -4.639 -7.708 -6.405 247 1HB LYS 84 HB1 LYS 84 -6.059 -7.376 -5.190 248 2HB LYS 84 HB2 LYS 84 -5.082 -6.280 -4.156 249 1HG LYS 84 HG1 LYS 84 -5.031 -4.463 -5.713 250 2HG LYS 84 HG2 LYS 84 -6.134 -5.362 -6.771 251 1HD LYS 84 HD1 LYS 84 -7.252 -5.540 -4.212 252 2HD LYS 84 HD2 LYS 84 -6.324 -4.165 -3.957 253 1HE LYS 84 HE1 LYS 84 -7.619 -2.925 -5.845 254 2HE LYS 84 HE2 LYS 84 -8.339 -4.496 -6.366 255 1HZ LYS 84 HZ2 LYS 84 -8.782 -3.297 -3.680 256 2HZ LYS 84 HZ3 LYS 84 -9.820 -3.078 -5.009 257 3HZ LYS 84 HZ1 LYS 84 -9.555 -4.637 -4.372 258 H ALA 85 HN ALA 85 -2.739 -4.882 -5.167 259 HA ALA 85 HA ALA 85 -2.801 -3.623 -7.721 260 1HB ALA 85 HB2 ALA 85 -2.434 -2.680 -5.195 261 2HB ALA 85 HB3 ALA 85 -0.744 -3.366 -5.308 262 3HB ALA 85 HB1 ALA 85 -1.221 -2.019 -6.379 263 H LEU 86 HN LEU 86 -0.428 -5.681 -6.091 264 HA LEU 86 HA LEU 86 1.601 -5.149 -8.175 265 1HB LEU 86 HB1 LEU 86 1.521 -7.101 -5.829 266 2HB LEU 86 HB2 LEU 86 2.890 -6.704 -6.656 267 HG LEU 86 HG LEU 86 1.169 -4.453 -5.382 268 1HD1 LEU 86 HD22 LEU 86 1.207 -6.069 -3.798 269 2HD1 LEU 86 HD23 LEU 86 3.017 -5.998 -3.692 270 3HD1 LEU 86 HD21 LEU 86 1.971 -4.533 -3.312 271 1HD2 LEU 86 HD13 LEU 86 2.789 -3.674 -6.898 272 2HD2 LEU 86 HD11 LEU 86 3.040 -3.087 -5.230 273 3HD2 LEU 86 HD12 LEU 86 4.116 -4.413 -5.904 274 H LYS 87 HN LYS 87 -0.514 -7.589 -7.004 275 HA LYS 87 HA LYS 87 -0.018 -9.556 -8.628 276 1HB LYS 87 HB1 LYS 87 -2.650 -8.400 -7.692 277 2HB LYS 87 HB2 LYS 87 -2.937 -8.829 -9.218 278 1HG LYS 87 HG1 LYS 87 -1.516 -11.068 -7.786 279 2HG LYS 87 HG2 LYS 87 -3.102 -10.639 -7.145 280 1HD LYS 87 HD1 LYS 87 -4.073 -10.897 -9.502 281 2HD LYS 87 HD2 LYS 87 -2.486 -11.309 -10.108 282 1HE LYS 87 HE1 LYS 87 -2.421 -13.369 -8.614 283 2HE LYS 87 HE2 LYS 87 -4.064 -12.936 -7.983 284 1HZ LYS 87 HZ2 LYS 87 -3.359 -13.480 -10.815 285 2HZ LYS 87 HZ3 LYS 87 -4.156 -14.537 -9.753 286 3HZ LYS 87 HZ1 LYS 87 -4.898 -13.082 -10.221 287 H VAL 88 HN VAL 88 -2.082 -6.939 -9.715 288 HA VAL 88 HA VAL 88 -2.208 -7.547 -12.359 289 HB VAL 88 HB VAL 88 -3.672 -5.836 -11.654 290 1HG1 VAL 88 HG12 VAL 88 -2.354 -5.303 -9.636 291 2HG1 VAL 88 HG13 VAL 88 -1.578 -4.006 -10.623 292 3HG1 VAL 88 HG11 VAL 88 -3.347 -3.993 -10.411 293 1HG2 VAL 88 HG21 VAL 88 -2.502 -4.943 -13.867 294 2HG2 VAL 88 HG22 VAL 88 -3.033 -3.615 -12.698 295 3HG2 VAL 88 HG23 VAL 88 -1.353 -4.044 -12.721 296 H ARG 89 HN ARG 89 0.403 -5.804 -10.677 297 HA ARG 89 HA ARG 89 1.872 -5.262 -13.025 298 1HB ARG 89 HB1 ARG 89 2.715 -5.568 -10.075 299 2HB ARG 89 HB2 ARG 89 3.751 -4.901 -11.319 300 1HG ARG 89 HG1 ARG 89 0.969 -3.702 -10.969 301 2HG ARG 89 HG2 ARG 89 2.024 -3.522 -9.629 302 1HD ARG 89 HD1 ARG 89 3.674 -2.280 -11.099 303 2HD ARG 89 HD2 ARG 89 2.802 -2.828 -12.570 304 HE ARG 89 HE ARG 89 1.643 -0.874 -10.535 305 1HH1 ARG 89 HH22 ARG 89 0.993 -2.956 -13.224 306 2HH1 ARG 89 HH21 ARG 89 -0.420 -2.082 -13.703 307 1HH2 ARG 89 HH12 ARG 89 0.113 0.627 -11.539 308 2HH2 ARG 89 HH11 ARG 89 -0.979 -0.110 -12.657 309 H GLY 90 HN GLY 90 1.992 -7.795 -10.504 310 1HA GLY 90 HA2 GLY 90 2.582 -10.018 -10.996 311 2HA GLY 90 HA1 GLY 90 3.614 -9.479 -12.361 312 H LEU 91 HN LEU 91 3.281 -7.957 -9.133 313 HA LEU 91 HA LEU 91 6.226 -8.269 -8.889 314 1HB LEU 91 HB1 LEU 91 4.213 -6.186 -7.950 315 2HB LEU 91 HB2 LEU 91 5.748 -6.378 -7.091 316 HG LEU 91 HG LEU 91 5.126 -4.858 -9.441 317 1HD1 LEU 91 HD21 LEU 91 6.794 -4.227 -7.692 318 2HD1 LEU 91 HD22 LEU 91 7.914 -5.509 -8.313 319 3HD1 LEU 91 HD23 LEU 91 7.461 -4.112 -9.362 320 1HD2 LEU 91 HD11 LEU 91 5.370 -6.728 -10.921 321 2HD2 LEU 91 HD12 LEU 91 6.696 -5.563 -11.147 322 3HD2 LEU 91 HD13 LEU 91 7.053 -7.070 -10.257 323 H GLN 92 HN GLN 92 6.960 -8.262 -6.499 324 HA GLN 92 HA GLN 92 5.284 -10.231 -5.062 325 1HB GLN 92 HB1 GLN 92 8.198 -9.586 -4.574 326 2HB GLN 92 HB2 GLN 92 7.260 -10.967 -3.971 327 1HG GLN 92 HG1 GLN 92 7.885 -10.372 -6.975 328 2HG GLN 92 HG2 GLN 92 8.937 -11.311 -5.954 329 1HE2 GLN 92 HE21 GLN 92 5.226 -13.054 -6.741 330 2HE2 GLN 92 HE22 GLN 92 5.326 -11.335 -6.692 331 HA PRO 93 HA PRO 93 5.101 -6.843 -2.305 332 1HB PRO 93 HB1 PRO 93 3.190 -8.305 -0.692 333 2HB PRO 93 HB2 PRO 93 2.929 -6.883 -1.670 334 1HG PRO 93 HG1 PRO 93 1.876 -9.361 -2.257 335 2HG PRO 93 HG2 PRO 93 2.218 -8.142 -3.491 336 1HD PRO 93 HD1 PRO 93 3.777 -10.577 -2.949 337 2HD PRO 93 HD2 PRO 93 3.555 -9.681 -4.426 338 H GLU 94 HN GLU 94 5.422 -10.304 -1.390 339 HA GLU 94 HA GLU 94 5.912 -9.725 1.334 340 1HB GLU 94 HB1 GLU 94 6.424 -12.195 -0.406 341 2HB GLU 94 HB2 GLU 94 6.894 -12.161 1.301 342 1HG GLU 94 HG1 GLU 94 3.998 -11.522 0.449 343 2HG GLU 94 HG2 GLU 94 4.584 -13.217 0.721 344 H CYS 95 HN CYS 95 7.831 -9.350 -1.487 345 HA CYS 95 HA CYS 95 10.338 -9.714 -0.002 346 1HB CYS 95 HB1 CYS 95 9.752 -9.035 -2.922 347 2HB CYS 95 HB2 CYS 95 11.374 -9.205 -2.221 348 HG1 CYS 95 HG1 CYS 95 10.986 -11.686 -1.327 349 H CYS 96 HN CYS 96 8.049 -7.384 -0.019 350 HA CYS 96 HA CYS 96 10.034 -5.204 -0.248 351 1HB CYS 96 HB1 CYS 96 7.083 -5.415 -1.141 352 2HB CYS 96 HB2 CYS 96 7.925 -3.916 -1.097 353 HG1 CYS 96 HG1 CYS 96 7.969 -6.302 -3.216 354 H ALA 97 HN ALA 97 8.882 -3.128 0.605 355 HA ALA 97 HA ALA 97 7.430 -3.731 3.094 356 1HB ALA 97 HB1 ALA 97 9.509 -1.493 2.798 357 2HB ALA 97 HB2 ALA 97 8.383 -1.679 4.151 358 3HB ALA 97 HB3 ALA 97 9.630 -2.952 3.915 359 H VAL 98 HN VAL 98 5.573 -2.496 3.224 360 HA VAL 98 HA VAL 98 5.165 -0.610 1.009 361 HB VAL 98 HB VAL 98 3.599 -2.412 0.881 362 1HG1 VAL 98 HG12 VAL 98 3.890 -3.050 3.388 363 2HG1 VAL 98 HG13 VAL 98 2.515 -1.893 3.640 364 3HG1 VAL 98 HG11 VAL 98 2.379 -3.351 2.546 365 1HG2 VAL 98 HG22 VAL 98 2.689 -0.042 0.583 366 2HG2 VAL 98 HG23 VAL 98 1.475 -1.271 1.103 367 3HG2 VAL 98 HG21 VAL 98 2.103 -0.146 2.313 368 H PHE 99 HN PHE 99 4.036 1.362 1.482 369 HA PHE 99 HA PHE 99 4.245 2.231 4.297 370 1HB PHE 99 HB1 PHE 99 5.495 3.568 1.800 371 2HB PHE 99 HB2 PHE 99 5.198 4.428 3.300 372 HD1 PHE 99 HD1 PHE 99 6.970 1.630 1.605 373 HD2 PHE 99 HD2 PHE 99 6.784 3.977 5.177 374 HE1 PHE 99 HE1 PHE 99 9.245 0.983 2.193 375 HE2 PHE 99 HE2 PHE 99 8.943 3.182 5.816 376 HZ PHE 99 HZ PHE 99 10.323 2.312 3.936 377 H ARG 100 HN ARG 100 3.168 4.313 4.616 378 HA ARG 100 HA ARG 100 1.283 5.206 2.452 379 1HB ARG 100 HB1 ARG 100 -0.154 4.900 4.003 380 2HB ARG 100 HB2 ARG 100 1.089 5.157 5.309 381 1HG ARG 100 HG1 ARG 100 1.297 7.422 4.983 382 2HG ARG 100 HG2 ARG 100 0.109 7.424 3.639 383 1HD ARG 100 HD1 ARG 100 -1.528 6.305 5.389 384 2HD ARG 100 HD2 ARG 100 -0.347 6.745 6.607 385 HE ARG 100 HE ARG 100 -2.300 8.536 5.841 386 1HH1 ARG 100 HH22 ARG 100 1.109 8.701 5.949 387 2HH1 ARG 100 HH21 ARG 100 1.036 10.381 6.390 388 1HH2 ARG 100 HH12 ARG 100 -2.399 10.692 5.631 389 2HH2 ARG 100 HH11 ARG 100 -0.958 11.541 6.151 390 H LEU 101 HN LEU 101 1.867 7.132 1.613 391 HA LEU 101 HA LEU 101 4.681 7.579 1.925 392 1HB LEU 101 HB1 LEU 101 2.400 8.809 0.209 393 2HB LEU 101 HB2 LEU 101 3.962 9.572 0.165 394 HG LEU 101 HG LEU 101 3.787 6.545 -0.309 395 1HD1 LEU 101 HD23 LEU 101 3.011 8.601 -2.413 396 2HD1 LEU 101 HD21 LEU 101 3.369 6.845 -2.690 397 3HD1 LEU 101 HD22 LEU 101 1.977 7.331 -1.656 398 1HD2 LEU 101 HD13 LEU 101 5.650 8.718 -1.391 399 2HD2 LEU 101 HD11 LEU 101 6.030 7.389 -0.209 400 3HD2 LEU 101 HD12 LEU 101 5.637 7.010 -1.927 401 H LEU 102 HN LEU 102 5.282 10.162 1.693 402 HA LEU 102 HA LEU 102 4.638 11.129 4.284 403 1HB LEU 102 HB1 LEU 102 6.165 13.064 3.318 404 2HB LEU 102 HB2 LEU 102 6.803 11.541 4.034 405 HG LEU 102 HG LEU 102 7.085 10.539 1.831 406 1HD1 LEU 102 HD22 LEU 102 5.161 11.775 0.684 407 2HD1 LEU 102 HD23 LEU 102 6.186 13.224 0.632 408 3HD1 LEU 102 HD21 LEU 102 6.721 11.722 -0.250 409 1HD2 LEU 102 HD13 LEU 102 8.922 11.889 2.799 410 2HD2 LEU 102 HD11 LEU 102 8.914 11.832 0.994 411 3HD2 LEU 102 HD12 LEU 102 8.340 13.315 1.864 412 H HIS 103 HN HSP 103 2.288 11.536 3.996 413 HA HIS 103 HA HSP 103 1.715 13.844 2.300 414 1HB HIS 103 HB1 HSP 103 0.004 12.069 4.083 415 2HB HIS 103 HB2 HSP 103 -0.605 13.601 3.360 416 HD1 HIS 103 HD1 HSP 103 -2.070 11.170 2.510 417 HD2 HIS 103 HD2 HSP 103 1.260 12.693 0.420 418 HE1 HIS 103 HE1 HSP 103 -2.333 10.543 0.082 419 HE2 HIS 103 HE2 HSP 103 -0.370 11.503 -1.167 420 H GLU 104 HN GLU 104 2.891 13.125 5.475 421 HA GLU 104 HA GLU 104 2.682 15.993 6.164 422 1HB GLU 104 HB1 GLU 104 1.851 15.780 8.281 423 2HB GLU 104 HB2 GLU 104 0.654 15.320 7.067 424 1HG GLU 104 HG1 GLU 104 2.376 13.295 8.661 425 2HG GLU 104 HG2 GLU 104 0.719 13.833 9.092 426 H HIS 105 HN HSP 105 4.841 14.135 5.236 427 HA HIS 105 HA HSP 105 6.542 14.590 7.549 428 1HB HIS 105 HB1 HSP 105 7.372 12.092 6.191 429 2HB HIS 105 HB2 HSP 105 7.359 12.488 7.909 430 HD1 HIS 105 HD1 HSP 105 4.645 12.407 8.843 431 HD2 HIS 105 HD2 HSP 105 5.754 10.049 5.563 432 HE1 HIS 105 HE1 HSP 105 3.008 10.468 8.717 433 HE2 HIS 105 HE2 HSP 105 3.685 9.106 6.703 434 H LYS 106 HN LYS 106 8.964 14.299 6.674 435 HA LYS 106 HA LYS 106 8.999 14.449 3.761 436 1HB LYS 106 HB1 LYS 106 10.108 16.405 5.826 437 2HB LYS 106 HB2 LYS 106 11.055 16.107 4.380 438 1HG LYS 106 HG1 LYS 106 8.100 17.044 4.408 439 2HG LYS 106 HG2 LYS 106 9.507 18.117 4.259 440 1HD LYS 106 HD1 LYS 106 10.183 17.014 2.118 441 2HD LYS 106 HD2 LYS 106 8.774 15.918 2.236 442 1HE LYS 106 HE1 LYS 106 7.220 17.904 2.194 443 2HE LYS 106 HE2 LYS 106 8.657 18.968 1.906 444 1HZ LYS 106 HZ2 LYS 106 9.147 17.639 -0.042 445 2HZ LYS 106 HZ3 LYS 106 7.775 16.676 0.234 446 3HZ LYS 106 HZ1 LYS 106 7.594 18.323 -0.126 447 H GLY 107 HN GLY 107 10.928 13.651 2.863 448 1HA GLY 107 HA2 GLY 107 12.938 12.668 2.902 449 2HA GLY 107 HA1 GLY 107 12.940 12.630 4.690 450 H LYS 108 HN LYS 108 10.637 11.178 5.367 451 HA LYS 108 HA LYS 108 11.562 8.564 4.385 452 1HB LYS 108 HB1 LYS 108 10.221 9.406 6.993 453 2HB LYS 108 HB2 LYS 108 10.751 7.734 6.546 454 1HG LYS 108 HG1 LYS 108 12.660 10.101 6.891 455 2HG LYS 108 HG2 LYS 108 12.296 8.853 8.103 456 1HD LYS 108 HD1 LYS 108 14.127 7.814 7.299 457 2HD LYS 108 HD2 LYS 108 12.957 7.128 6.155 458 1HE LYS 108 HE1 LYS 108 13.635 8.792 4.426 459 2HE LYS 108 HE2 LYS 108 14.678 9.657 5.633 460 1HZ LYS 108 HZ1 LYS 108 14.984 6.845 4.735 461 2HZ LYS 108 HZ2 LYS 108 15.908 8.170 4.217 462 3HZ LYS 108 HZ3 LYS 108 15.980 7.668 5.838 463 H LYS 109 HN LYS 109 9.464 7.237 5.589 464 HA LYS 109 HA LYS 109 6.985 7.937 4.059 465 1HB LYS 109 HB1 LYS 109 8.468 5.428 3.814 466 2HB LYS 109 HB2 LYS 109 7.104 5.549 3.351 467 1HG LYS 109 HG1 LYS 109 7.909 7.771 1.882 468 2HG LYS 109 HG2 LYS 109 9.477 7.348 2.457 469 1HD LYS 109 HD1 LYS 109 8.592 4.856 1.467 470 2HD LYS 109 HD2 LYS 109 7.784 5.940 0.423 471 1HE LYS 109 HE1 LYS 109 10.423 7.011 0.476 472 2HE LYS 109 HE2 LYS 109 10.769 5.365 1.106 473 1HZ LYS 109 HZ2 LYS 109 9.110 5.624 -1.318 474 2HZ LYS 109 HZ3 LYS 109 10.758 6.029 -1.467 475 3HZ LYS 109 HZ1 LYS 109 10.338 4.480 -0.945 476 H ALA 110 HN ALA 110 5.143 6.928 5.137 477 HA ALA 110 HA ALA 110 5.772 6.251 7.917 478 1HB ALA 110 HB3 ALA 110 3.025 6.667 6.772 479 2HB ALA 110 HB1 ALA 110 3.404 5.967 8.403 480 3HB ALA 110 HB2 ALA 110 3.899 7.636 8.050 481 H ARG 111 HN ARG 111 6.143 4.022 8.393 482 HA ARG 111 HA ARG 111 5.678 2.302 6.114 483 1HB ARG 111 HB1 ARG 111 7.925 2.777 7.441 484 2HB ARG 111 HB2 ARG 111 7.145 1.780 8.721 485 1HG ARG 111 HG1 ARG 111 7.351 0.745 5.862 486 2HG ARG 111 HG2 ARG 111 8.746 0.711 6.950 487 1HD ARG 111 HD1 ARG 111 6.824 -0.274 8.638 488 2HD ARG 111 HD2 ARG 111 6.102 -0.757 7.115 489 HE ARG 111 HE ARG 111 9.039 -1.486 7.537 490 1HH1 ARG 111 HH22 ARG 111 5.771 -2.556 8.031 491 2HH1 ARG 111 HH21 ARG 111 6.234 -4.232 8.033 492 1HH2 ARG 111 HH12 ARG 111 9.498 -3.652 6.829 493 2HH2 ARG 111 HH11 ARG 111 8.383 -4.856 7.431 494 H LEU 112 HN LEU 112 4.497 0.512 6.337 495 HA LEU 112 HA LEU 112 2.565 0.645 8.590 496 1HB LEU 112 HB1 LEU 112 2.207 -0.419 5.745 497 2HB LEU 112 HB2 LEU 112 0.931 -0.251 6.997 498 HG LEU 112 HG LEU 112 2.435 2.110 5.914 499 1HD1 LEU 112 HD13 LEU 112 1.200 1.018 4.065 500 2HD1 LEU 112 HD11 LEU 112 -0.311 1.069 5.048 501 3HD1 LEU 112 HD12 LEU 112 0.490 2.603 4.518 502 1HD2 LEU 112 HD23 LEU 112 -0.058 1.862 7.646 503 2HD2 LEU 112 HD21 LEU 112 1.522 2.629 8.056 504 3HD2 LEU 112 HD22 LEU 112 0.453 3.375 6.801 505 H ASP 113 HN ASP 113 1.228 -1.703 7.963 506 HA ASP 113 HA ASP 113 3.255 -3.694 8.634 507 1HB ASP 113 HB1 ASP 113 1.201 -3.357 10.211 508 2HB ASP 113 HB2 ASP 113 0.277 -4.208 8.900 509 H TRP 114 HN TRP 114 1.662 -6.014 7.719 510 HA TRP 114 HA TRP 114 1.643 -5.387 5.066 511 1HB TRP 114 HB1 TRP 114 3.402 -7.325 6.467 512 2HB TRP 114 HB2 TRP 114 2.193 -8.332 5.672 513 HD1 TRP 114 HD1 TRP 114 5.188 -8.456 4.562 514 HE1 TRP 114 HE1 TRP 114 6.122 -7.032 2.534 515 HE3 TRP 114 HE3 TRP 114 1.026 -6.347 3.683 516 HZ2 TRP 114 HZ2 TRP 114 4.647 -5.703 0.361 517 HZ3 TRP 114 HZ3 TRP 114 0.506 -5.493 1.366 518 HH2 TRP 114 HH2 TRP 114 2.299 -5.182 -0.224 519 H ASN 115 HN ASN 115 0.261 -6.579 7.967 520 HA ASN 115 HA ASN 115 -2.118 -7.440 6.432 521 1HB ASN 115 HB1 ASN 115 -0.878 -8.440 8.760 522 2HB ASN 115 HB2 ASN 115 -2.042 -7.377 9.466 523 1HD2 ASN 115 HD21 ASN 115 -4.932 -9.162 8.130 524 2HD2 ASN 115 HD22 ASN 115 -4.361 -7.559 8.469 525 H THR 116 HN THR 116 -1.044 -4.606 6.619 526 HA THR 116 HA THR 116 -2.142 -3.640 8.835 527 HB THR 116 HB THR 116 -0.288 -2.520 7.110 528 HG1 THR 116 HG1 THR 116 -1.004 -1.172 9.309 529 1HG2 THR 116 HG22 THR 116 -2.590 -0.832 6.719 530 2HG2 THR 116 HG23 THR 116 -2.345 -0.493 8.440 531 3HG2 THR 116 HG21 THR 116 -1.042 -0.068 7.249 532 H ASP 117 HN ASP 117 -3.988 -2.293 9.239 533 HA ASP 117 HA ASP 117 -6.312 -2.632 7.577 534 1HB ASP 117 HB1 ASP 117 -6.292 -2.200 10.103 535 2HB ASP 117 HB2 ASP 117 -5.861 -0.497 9.713 536 H ALA 118 HN ALA 118 -5.462 -2.022 5.539 537 HA ALA 118 HA ALA 118 -4.504 0.496 4.708 538 1HB ALA 118 HB1 ALA 118 -4.830 -1.787 3.491 539 2HB ALA 118 HB2 ALA 118 -6.567 -1.361 3.348 540 3HB ALA 118 HB3 ALA 118 -5.290 -0.331 2.555 541 H ALA 119 HN ALA 119 -7.668 -0.456 5.930 542 HA ALA 119 HA ALA 119 -9.239 1.681 4.756 543 1HB ALA 119 HB2 ALA 119 -9.043 -0.535 6.913 544 2HB ALA 119 HB3 ALA 119 -10.392 0.698 7.099 545 3HB ALA 119 HB1 ALA 119 -10.281 -0.365 5.640 546 H SER 120 HN SER 120 -6.707 1.569 7.191 547 HA SER 120 HA SER 120 -7.772 4.028 8.419 548 1HB SER 120 HB1 SER 120 -6.832 2.237 9.908 549 2HB SER 120 HB2 SER 120 -5.239 2.475 9.106 550 HG SER 120 HG1 SER 120 -5.705 4.812 9.672 551 H LEU 121 HN LEU 121 -5.763 2.943 5.839 552 HA LEU 121 HA LEU 121 -4.220 5.494 5.834 553 1HB LEU 121 HB1 LEU 121 -3.786 3.007 4.097 554 2HB LEU 121 HB2 LEU 121 -2.760 4.395 4.188 555 HG LEU 121 HG LEU 121 -1.583 2.901 5.565 556 1HD1 LEU 121 HD21 LEU 121 -3.519 4.225 7.549 557 2HD1 LEU 121 HD22 LEU 121 -1.958 3.408 7.975 558 3HD1 LEU 121 HD23 LEU 121 -1.992 4.914 6.948 559 1HD2 LEU 121 HD13 LEU 121 -4.329 1.821 6.244 560 2HD2 LEU 121 HD11 LEU 121 -2.840 0.949 5.712 561 3HD2 LEU 121 HD12 LEU 121 -2.991 1.567 7.422 562 H ILE 122 HN ILE 122 -6.825 4.150 5.024 563 HA ILE 122 HA ILE 122 -7.331 4.544 2.449 564 HB ILE 122 HB ILE 122 -8.972 3.828 4.446 565 1HG1 ILE 122 HG11 ILE 122 -10.872 3.736 2.829 566 2HG1 ILE 122 HG12 ILE 122 -9.718 4.426 1.622 567 1HG2 ILE 122 HG22 ILE 122 -9.518 6.142 5.166 568 2HG2 ILE 122 HG23 ILE 122 -10.266 6.421 3.523 569 3HG2 ILE 122 HG21 ILE 122 -10.960 5.195 4.611 570 1HD1 ILE 122 HD2 ILE 122 -8.333 2.257 2.821 571 2HD1 ILE 122 HD3 ILE 122 -10.045 1.697 2.465 572 3HD1 ILE 122 HD1 ILE 122 -9.050 2.354 1.167 573 H GLY 123 HN GLY 123 -8.116 6.042 1.090 574 1HA GLY 123 HA2 GLY 123 -8.162 8.074 0.093 575 2HA GLY 123 HA1 GLY 123 -8.477 8.728 1.738 576 H GLU 124 HN GLU 124 -5.519 6.963 0.619 577 HA GLU 124 HA GLU 124 -4.023 9.499 0.845 578 1HB GLU 124 HB1 GLU 124 -3.132 6.838 2.021 579 2HB GLU 124 HB2 GLU 124 -2.308 8.406 2.137 580 1HG GLU 124 HG1 GLU 124 -5.152 7.982 3.280 581 2HG GLU 124 HG2 GLU 124 -3.753 7.380 4.132 582 H GLU 125 HN GLU 125 -1.557 8.331 0.456 583 HA GLU 125 HA GLU 125 -1.843 6.812 -2.060 584 1HB GLU 125 HB1 GLU 125 0.176 9.035 -1.563 585 2HB GLU 125 HB2 GLU 125 0.374 7.774 -2.807 586 1HG GLU 125 HG1 GLU 125 -1.150 8.413 -4.257 587 2HG GLU 125 HG2 GLU 125 -2.266 9.007 -3.036 588 H LEU 126 HN LEU 126 -0.913 4.891 -1.884 589 HA LEU 126 HA LEU 126 0.927 4.559 0.351 590 1HB LEU 126 HB1 LEU 126 -0.360 2.386 -1.401 591 2HB LEU 126 HB2 LEU 126 0.797 2.072 -0.122 592 HG LEU 126 HG LEU 126 -2.105 2.773 0.131 593 1HD1 LEU 126 HD21 LEU 126 -1.206 0.492 0.628 594 2HD1 LEU 126 HD22 LEU 126 -0.144 1.198 1.906 595 3HD1 LEU 126 HD23 LEU 126 -1.941 1.275 2.084 596 1HD2 LEU 126 HD12 LEU 126 -0.051 3.670 2.235 597 2HD2 LEU 126 HD13 LEU 126 -1.202 4.747 1.281 598 3HD2 LEU 126 HD11 LEU 126 -1.827 3.576 2.473 599 H GLN 127 HN GLN 127 2.830 3.071 -0.082 600 HA GLN 127 HA GLN 127 3.650 3.039 -2.875 601 1HB GLN 127 HB1 GLN 127 4.566 5.251 -1.753 602 2HB GLN 127 HB2 GLN 127 5.610 4.174 -0.829 603 1HG GLN 127 HG1 GLN 127 5.853 3.369 -3.624 604 2HG GLN 127 HG2 GLN 127 5.788 5.202 -3.615 605 1HE2 GLN 127 HE21 GLN 127 9.221 3.603 -2.368 606 2HE2 GLN 127 HE22 GLN 127 7.949 2.596 -2.978 607 H VAL 128 HN VAL 128 5.404 1.494 -3.195 608 HA VAL 128 HA VAL 128 5.858 -0.187 -0.797 609 HB VAL 128 HB VAL 128 5.297 -1.026 -3.654 610 1HG1 VAL 128 HG12 VAL 128 6.433 -2.719 -1.334 611 2HG1 VAL 128 HG13 VAL 128 5.850 -3.354 -2.920 612 3HG1 VAL 128 HG11 VAL 128 7.305 -2.312 -2.883 613 1HG2 VAL 128 HG22 VAL 128 3.333 -0.836 -2.141 614 2HG2 VAL 128 HG23 VAL 128 3.673 -2.517 -2.691 615 3HG2 VAL 128 HG21 VAL 128 4.115 -2.008 -1.006 616 H ASP 129 HN ASP 129 7.969 -0.888 -0.493 617 HA ASP 129 HA ASP 129 9.904 0.020 -2.489 618 1HB ASP 129 HB1 ASP 129 9.431 1.473 -0.056 619 2HB ASP 129 HB2 ASP 129 10.844 0.445 0.329 620 H PHE 130 HN PHE 130 12.251 -0.742 -1.147 621 HA PHE 130 HA PHE 130 11.894 -3.565 -1.264 622 1HB PHE 130 HB1 PHE 130 14.360 -3.627 -0.612 623 2HB PHE 130 HB2 PHE 130 13.972 -2.804 -2.155 624 HD1 PHE 130 HD1 PHE 130 14.973 -2.286 1.385 625 HD2 PHE 130 HD2 PHE 130 14.130 -0.363 -2.346 626 HE1 PHE 130 HE1 PHE 130 15.952 -0.204 2.218 627 HE2 PHE 130 HE2 PHE 130 15.114 1.703 -1.495 628 HZ PHE 130 HZ PHE 130 16.022 1.798 0.791 629 H LEU 131 HN LEU 131 12.553 -5.027 0.541 630 HA LEU 131 HA LEU 131 11.340 -4.539 2.825 631 1HB LEU 131 HB1 LEU 131 13.494 -6.498 2.084 632 2HB LEU 131 HB2 LEU 131 13.071 -6.299 3.837 633 HG LEU 131 HG LEU 131 10.878 -6.777 1.792 634 1HD1 LEU 131 HD23 LEU 131 12.610 -8.937 3.078 635 2HD1 LEU 131 HD21 LEU 131 11.015 -9.203 2.287 636 3HD1 LEU 131 HD22 LEU 131 12.430 -8.564 1.325 637 1HD2 LEU 131 HD12 LEU 131 10.255 -6.033 4.075 638 2HD2 LEU 131 HD13 LEU 131 9.647 -7.676 3.643 639 3HD2 LEU 131 HD11 LEU 131 11.070 -7.494 4.751 640 H ASP 132 HN ASP 132 11.694 -3.086 3.994 641 HA ASP 132 HA ASP 132 13.951 -1.635 4.475 642 1HB ASP 132 HB1 ASP 132 12.834 -0.397 6.333 643 2HB ASP 132 HB2 ASP 132 11.786 -0.567 4.869 No H/Q in entry = 643 Start of MODEL 24 1 1H SER 55 HT3 SER 55 -13.996 7.478 2.785 2 2H SER 55 HT2 SER 55 -12.352 7.455 3.119 3 3H SER 55 HT1 SER 55 -13.014 8.756 2.229 4 HA SER 55 HA SER 55 -13.559 7.299 0.436 5 1HB SER 55 HB1 SER 55 -11.163 8.379 0.758 6 2HB SER 55 HB2 SER 55 -10.636 6.722 1.207 7 HG SER 55 HG1 SER 55 -11.634 7.732 -1.229 8 H ASN 56 HN ASN 56 -12.578 5.145 -0.581 9 HA ASN 56 HA ASN 56 -12.358 3.012 1.440 10 1HB ASN 56 HB1 ASN 56 -13.753 1.472 0.225 11 2HB ASN 56 HB2 ASN 56 -14.661 2.831 0.991 12 1HD2 ASN 56 HD21 ASN 56 -14.425 2.566 -3.141 13 2HD2 ASN 56 HD22 ASN 56 -13.359 1.640 -2.147 14 H THR 57 HN THR 57 -10.678 4.733 -0.408 15 HA THR 57 HA THR 57 -9.510 2.528 -1.980 16 HB THR 57 HB THR 57 -9.241 3.946 -3.947 17 HG1 THR 57 HG1 THR 57 -10.518 5.856 -2.275 18 1HG2 THR 57 HG22 THR 57 -11.508 2.757 -3.707 19 2HG2 THR 57 HG23 THR 57 -12.172 4.308 -3.053 20 3HG2 THR 57 HG21 THR 57 -11.526 4.246 -4.734 21 H ILE 58 HN ILE 58 -7.261 3.053 -2.643 22 HA ILE 58 HA ILE 58 -6.167 5.434 -1.511 23 HB ILE 58 HB ILE 58 -4.322 3.182 -0.881 24 1HG1 ILE 58 HG11 ILE 58 -6.664 3.272 1.012 25 2HG1 ILE 58 HG12 ILE 58 -6.539 2.094 -0.323 26 1HG2 ILE 58 HG23 ILE 58 -5.203 5.706 0.578 27 2HG2 ILE 58 HG21 ILE 58 -4.266 4.431 1.397 28 3HG2 ILE 58 HG22 ILE 58 -3.582 5.232 -0.065 29 1HD1 ILE 58 HD2 ILE 58 -3.985 2.191 1.117 30 2HD1 ILE 58 HD3 ILE 58 -5.338 1.840 2.220 31 3HD1 ILE 58 HD1 ILE 58 -5.044 0.810 0.724 32 H ARG 59 HN ARG 59 -3.625 5.497 -2.284 33 HA ARG 59 HA ARG 59 -3.720 4.305 -4.966 34 1HB ARG 59 HB1 ARG 59 -2.238 6.635 -3.695 35 2HB ARG 59 HB2 ARG 59 -1.772 5.930 -5.266 36 1HG ARG 59 HG1 ARG 59 -3.081 7.646 -5.926 37 2HG ARG 59 HG2 ARG 59 -4.173 6.281 -6.086 38 1HD ARG 59 HD1 ARG 59 -5.627 7.765 -5.038 39 2HD ARG 59 HD2 ARG 59 -4.900 7.029 -3.562 40 HE ARG 59 HE ARG 59 -3.785 9.565 -4.836 41 1HH1 ARG 59 HH22 ARG 59 -6.057 8.320 -2.543 42 2HH1 ARG 59 HH21 ARG 59 -6.303 9.872 -1.847 43 1HH2 ARG 59 HH12 ARG 59 -3.367 11.241 -3.123 44 2HH2 ARG 59 HH11 ARG 59 -4.819 11.575 -2.283 45 H VAL 60 HN VAL 60 -1.746 3.397 -5.768 46 HA VAL 60 HA VAL 60 0.110 2.535 -3.637 47 HB VAL 60 HB VAL 60 -0.734 0.561 -5.759 48 1HG1 VAL 60 HG11 VAL 60 1.471 0.272 -4.582 49 2HG1 VAL 60 HG12 VAL 60 0.583 0.130 -3.031 50 3HG1 VAL 60 HG13 VAL 60 0.297 -1.087 -4.344 51 1HG2 VAL 60 HG23 VAL 60 -2.794 1.015 -4.495 52 2HG2 VAL 60 HG21 VAL 60 -2.123 -0.619 -4.110 53 3HG2 VAL 60 HG22 VAL 60 -1.923 0.744 -2.939 54 H PHE 61 HN PHE 61 1.930 3.481 -4.250 55 HA PHE 61 HA PHE 61 2.472 3.904 -7.119 56 1HB PHE 61 HB1 PHE 61 3.528 5.022 -4.535 57 2HB PHE 61 HB2 PHE 61 4.521 5.109 -6.113 58 HD1 PHE 61 HD2 PHE 61 0.979 5.574 -4.796 59 HD2 PHE 61 HD1 PHE 61 4.134 7.117 -7.245 60 HE1 PHE 61 HE2 PHE 61 -0.310 7.597 -5.187 61 HE2 PHE 61 HE1 PHE 61 2.877 9.200 -7.504 62 HZ PHE 61 HZ PHE 61 0.695 9.481 -6.390 63 H LEU 62 HN LEU 62 4.301 2.918 -8.212 64 HA LEU 62 HA LEU 62 4.942 0.432 -6.811 65 1HB LEU 62 HB1 LEU 62 5.493 1.515 -9.584 66 2HB LEU 62 HB2 LEU 62 6.393 0.114 -8.989 67 HG LEU 62 HG LEU 62 4.238 -0.368 -10.353 68 1HD1 LEU 62 HD12 LEU 62 5.613 -2.086 -9.186 69 2HD1 LEU 62 HD13 LEU 62 4.618 -1.824 -7.690 70 3HD1 LEU 62 HD11 LEU 62 3.844 -2.444 -9.186 71 1HD2 LEU 62 HD21 LEU 62 2.732 1.141 -8.993 72 2HD2 LEU 62 HD22 LEU 62 2.167 -0.567 -9.167 73 3HD2 LEU 62 HD23 LEU 62 2.897 -0.029 -7.622 74 HA PRO 63 HA PRO 63 8.851 1.927 -5.694 75 1HB PRO 63 HB1 PRO 63 10.034 -0.723 -6.336 76 2HB PRO 63 HB2 PRO 63 10.097 0.185 -4.856 77 1HG PRO 63 HG1 PRO 63 8.492 -2.053 -5.499 78 2HG PRO 63 HG2 PRO 63 8.194 -1.053 -4.153 79 1HD PRO 63 HD1 PRO 63 6.483 -1.271 -6.393 80 2HD PRO 63 HD2 PRO 63 6.347 -0.095 -5.165 81 H ASN 64 HN ASN 64 8.393 2.998 -7.974 82 HA ASN 64 HA ASN 64 10.882 3.012 -9.187 83 1HB ASN 64 HB1 ASN 64 10.047 2.473 -11.628 84 2HB ASN 64 HB2 ASN 64 10.695 1.181 -10.584 85 1HD2 ASN 64 HD21 ASN 64 7.717 -0.679 -10.382 86 2HD2 ASN 64 HD22 ASN 64 9.362 -0.497 -9.879 87 H LYS 65 HN LYS 65 8.098 3.427 -11.280 88 HA LYS 65 HA LYS 65 7.877 6.281 -10.453 89 1HB LYS 65 HB1 LYS 65 7.390 5.167 -13.187 90 2HB LYS 65 HB2 LYS 65 7.468 6.868 -12.671 91 1HG LYS 65 HG1 LYS 65 9.765 6.911 -12.774 92 2HG LYS 65 HG2 LYS 65 9.938 5.315 -12.001 93 1HD LYS 65 HD1 LYS 65 8.935 5.441 -14.851 94 2HD LYS 65 HD2 LYS 65 10.694 5.560 -14.484 95 1HE LYS 65 HE1 LYS 65 10.665 3.351 -13.419 96 2HE LYS 65 HE2 LYS 65 8.859 3.278 -13.513 97 1HZ LYS 65 HZ1 LYS 65 10.739 3.424 -15.811 98 2HZ LYS 65 HZ2 LYS 65 9.922 2.037 -15.265 99 3HZ LYS 65 HZ3 LYS 65 9.047 3.345 -15.906 100 H GLN 66 HN GLN 66 6.280 3.217 -10.893 101 HA GLN 66 HA GLN 66 4.021 4.400 -11.885 102 1HB GLN 66 HB1 GLN 66 4.807 1.604 -11.457 103 2HB GLN 66 HB2 GLN 66 3.104 1.834 -11.393 104 1HG GLN 66 HG1 GLN 66 4.989 2.859 -13.623 105 2HG GLN 66 HG2 GLN 66 4.363 1.183 -13.595 106 1HE2 GLN 66 HE21 GLN 66 1.888 4.234 -14.700 107 2HE2 GLN 66 HE22 GLN 66 3.586 4.338 -14.705 108 H ARG 67 HN ARG 67 1.812 3.398 -11.186 109 HA ARG 67 HA ARG 67 1.272 3.617 -8.418 110 1HB ARG 67 HB1 ARG 67 0.021 5.781 -8.582 111 2HB ARG 67 HB2 ARG 67 1.795 5.943 -8.580 112 1HG ARG 67 HG1 ARG 67 0.772 5.677 -11.338 113 2HG ARG 67 HG2 ARG 67 -0.108 6.933 -10.493 114 1HD ARG 67 HD1 ARG 67 2.350 7.764 -9.723 115 2HD ARG 67 HD2 ARG 67 2.901 6.737 -11.089 116 HE ARG 67 HE ARG 67 1.464 8.093 -12.625 117 1HH1 ARG 67 HH22 ARG 67 0.756 8.878 -9.335 118 2HH1 ARG 67 HH21 ARG 67 -0.148 10.295 -9.757 119 1HH2 ARG 67 HH12 ARG 67 0.766 10.241 -13.145 120 2HH2 ARG 67 HH11 ARG 67 -0.192 11.033 -11.945 121 H THR 68 HN THR 68 -1.117 3.820 -8.071 122 HA THR 68 HA THR 68 -2.888 3.744 -10.209 123 HB THR 68 HB THR 68 -1.971 1.471 -10.730 124 HG1 THR 68 HG1 THR 68 -4.056 0.414 -10.334 125 1HG2 THR 68 HG23 THR 68 -1.306 0.846 -8.335 126 2HG2 THR 68 HG21 THR 68 -3.062 0.632 -7.972 127 3HG2 THR 68 HG22 THR 68 -2.274 -0.413 -9.208 128 H VAL 69 HN VAL 69 -5.129 2.800 -9.246 129 HA VAL 69 HA VAL 69 -5.145 3.612 -6.393 130 HB VAL 69 HB VAL 69 -6.406 5.270 -7.409 131 1HG1 VAL 69 HG13 VAL 69 -7.868 3.106 -9.036 132 2HG1 VAL 69 HG11 VAL 69 -8.280 4.861 -8.988 133 3HG1 VAL 69 HG12 VAL 69 -6.706 4.337 -9.684 134 1HG2 VAL 69 HG21 VAL 69 -7.379 4.333 -5.392 135 2HG2 VAL 69 HG22 VAL 69 -8.566 5.089 -6.515 136 3HG2 VAL 69 HG23 VAL 69 -8.461 3.297 -6.420 137 H VAL 70 HN VAL 70 -6.179 2.239 -4.993 138 HA VAL 70 HA VAL 70 -7.223 -0.262 -6.204 139 HB VAL 70 HB VAL 70 -6.348 -1.512 -4.278 140 1HG1 VAL 70 HG12 VAL 70 -5.081 -1.507 -6.412 141 2HG1 VAL 70 HG13 VAL 70 -4.137 -0.090 -5.842 142 3HG1 VAL 70 HG11 VAL 70 -4.022 -1.674 -4.955 143 1HG2 VAL 70 HG23 VAL 70 -4.843 1.067 -3.584 144 2HG2 VAL 70 HG21 VAL 70 -6.092 0.214 -2.585 145 3HG2 VAL 70 HG22 VAL 70 -4.500 -0.571 -2.910 146 H ASN 71 HN ASN 71 -8.757 -1.375 -4.722 147 HA ASN 71 HA ASN 71 -10.279 0.680 -3.221 148 1HB ASN 71 HB1 ASN 71 -11.221 -1.764 -4.812 149 2HB ASN 71 HB2 ASN 71 -12.233 -0.979 -3.532 150 1HD2 ASN 71 HD21 ASN 71 -11.526 1.076 -7.062 151 2HD2 ASN 71 HD22 ASN 71 -10.500 -0.248 -6.623 152 H VAL 72 HN VAL 72 -10.990 0.090 -1.138 153 HA VAL 72 HA VAL 72 -9.844 -2.475 -0.166 154 HB VAL 72 HB VAL 72 -10.250 0.046 1.477 155 1HG1 VAL 72 HG11 VAL 72 -10.203 -2.057 2.777 156 2HG1 VAL 72 HG12 VAL 72 -8.610 -2.494 2.021 157 3HG1 VAL 72 HG13 VAL 72 -8.758 -1.045 3.091 158 1HG2 VAL 72 HG22 VAL 72 -8.541 0.556 -0.252 159 2HG2 VAL 72 HG23 VAL 72 -7.873 0.494 1.408 160 3HG2 VAL 72 HG21 VAL 72 -7.596 -0.894 0.272 161 H ARG 73 HN ARG 73 -11.266 -3.771 0.985 162 HA ARG 73 HA ARG 73 -13.946 -2.611 1.312 163 1HB ARG 73 HB1 ARG 73 -13.543 -4.603 -0.435 164 2HB ARG 73 HB2 ARG 73 -13.436 -5.610 1.007 165 1HG ARG 73 HG1 ARG 73 -15.741 -5.439 -0.153 166 2HG ARG 73 HG2 ARG 73 -15.769 -5.163 1.577 167 1HD ARG 73 HD1 ARG 73 -15.433 -2.772 -0.350 168 2HD ARG 73 HD2 ARG 73 -17.060 -3.547 -0.170 169 HE ARG 73 HE ARG 73 -16.767 -3.166 2.371 170 1HH1 ARG 73 HH22 ARG 73 -16.522 -1.075 -0.337 171 2HH1 ARG 73 HH21 ARG 73 -16.986 0.317 0.581 172 1HH2 ARG 73 HH12 ARG 73 -16.547 -1.224 3.703 173 2HH2 ARG 73 HH11 ARG 73 -17.101 0.196 2.891 174 H ASN 74 HN ASN 74 -15.114 -4.401 2.970 175 HA ASN 74 HA ASN 74 -13.679 -3.795 5.380 176 1HB ASN 74 HB1 ASN 74 -16.126 -5.591 5.294 177 2HB ASN 74 HB2 ASN 74 -15.590 -4.506 6.596 178 1HD2 ASN 74 HD21 ASN 74 -18.265 -2.925 4.124 179 2HD2 ASN 74 HD22 ASN 74 -18.121 -4.575 4.587 180 H GLY 75 HN GLY 75 -12.131 -5.076 6.216 181 1HA GLY 75 HA2 GLY 75 -11.389 -6.971 7.085 182 2HA GLY 75 HA1 GLY 75 -12.507 -7.985 6.095 183 H MET 76 HN MET 76 -10.723 -5.412 4.529 184 HA MET 76 HA MET 76 -9.088 -7.420 3.217 185 1HB MET 76 HB1 MET 76 -9.579 -4.446 2.699 186 2HB MET 76 HB2 MET 76 -8.302 -5.310 1.880 187 1HG MET 76 HG1 MET 76 -10.267 -7.091 1.300 188 2HG MET 76 HG2 MET 76 -11.293 -5.763 1.643 189 1HE MET 76 HE3 MET 76 -8.734 -7.452 -0.764 190 2HE MET 76 HE1 MET 76 -8.025 -6.141 -1.746 191 3HE MET 76 HE2 MET 76 -7.607 -6.270 -0.006 192 H SER 77 HN SER 77 -6.802 -6.844 2.759 193 HA SER 77 HA SER 77 -5.508 -5.586 5.138 194 1HB SER 77 HB1 SER 77 -4.161 -7.783 3.603 195 2HB SER 77 HB2 SER 77 -3.734 -7.206 5.003 196 HG SER 77 HG1 SER 77 -5.577 -9.194 4.481 197 H LEU 78 HN LEU 78 -3.302 -4.990 4.680 198 HA LEU 78 HA LEU 78 -2.696 -3.857 2.263 199 1HB LEU 78 HB1 LEU 78 -1.246 -4.829 4.689 200 2HB LEU 78 HB2 LEU 78 -0.226 -4.565 3.227 201 HG LEU 78 HG LEU 78 -0.322 -2.633 4.750 202 1HD1 LEU 78 HD21 LEU 78 -0.187 -2.571 2.080 203 2HD1 LEU 78 HD22 LEU 78 -1.767 -1.814 2.238 204 3HD1 LEU 78 HD23 LEU 78 -0.519 -0.986 3.122 205 1HD2 LEU 78 HD12 LEU 78 -3.201 -2.462 3.686 206 2HD2 LEU 78 HD13 LEU 78 -2.705 -2.578 5.407 207 3HD2 LEU 78 HD11 LEU 78 -2.335 -1.091 4.339 208 H HIS 79 HN HSP 79 -1.363 -6.877 3.391 209 HA HIS 79 HA HSP 79 -0.474 -7.681 1.031 210 1HB HIS 79 HB1 HSP 79 -0.858 -8.975 3.700 211 2HB HIS 79 HB2 HSP 79 -1.243 -10.168 2.506 212 HD1 HIS 79 HD1 HSP 79 1.109 -8.881 0.488 213 HD2 HIS 79 HD2 HSP 79 1.582 -10.154 4.438 214 HE1 HIS 79 HE1 HSP 79 3.609 -9.116 1.011 215 HE2 HIS 79 HE2 HSP 79 3.786 -10.197 3.208 216 H ASP 80 HN ASP 80 -3.812 -7.716 1.832 217 HA ASP 80 HA ASP 80 -4.328 -9.648 -0.348 218 1HB ASP 80 HB1 ASP 80 -6.196 -8.267 1.657 219 2HB ASP 80 HB2 ASP 80 -6.701 -9.422 0.371 220 H CYS 81 HN CYS 81 -4.361 -6.340 0.659 221 HA CYS 81 HA CYS 81 -5.905 -5.352 -1.513 222 1HB CYS 81 HB1 CYS 81 -5.750 -4.262 0.696 223 2HB CYS 81 HB2 CYS 81 -4.133 -4.393 0.827 224 HG1 CYS 81 HG1 CYS 81 -6.284 -2.892 -1.448 225 H LEU 82 HN LEU 82 -2.516 -5.320 -0.684 226 HA LEU 82 HA LEU 82 -1.719 -4.055 -3.144 227 1HB LEU 82 HB1 LEU 82 -0.223 -5.462 -0.839 228 2HB LEU 82 HB2 LEU 82 0.640 -4.837 -2.124 229 HG LEU 82 HG LEU 82 -0.399 -3.660 0.286 230 1HD1 LEU 82 HD11 LEU 82 0.754 -2.239 -2.259 231 2HD1 LEU 82 HD12 LEU 82 0.442 -1.337 -0.734 232 3HD1 LEU 82 HD13 LEU 82 1.681 -2.643 -0.757 233 1HD2 LEU 82 HD22 LEU 82 -2.050 -2.581 -1.947 234 2HD2 LEU 82 HD23 LEU 82 -2.493 -3.234 -0.328 235 3HD2 LEU 82 HD21 LEU 82 -1.673 -1.641 -0.422 236 H MET 83 HN MET 83 -1.506 -7.279 -1.721 237 HA MET 83 HA MET 83 0.024 -8.588 -3.700 238 1HB MET 83 HB1 MET 83 -0.785 -9.530 -1.515 239 2HB MET 83 HB2 MET 83 -2.438 -9.294 -1.980 240 1HG MET 83 HG1 MET 83 -2.312 -11.496 -2.337 241 2HG MET 83 HG2 MET 83 -2.315 -10.808 -3.913 242 1HE MET 83 HE2 MET 83 -0.384 -12.828 -1.176 243 2HE MET 83 HE3 MET 83 1.349 -12.744 -1.628 244 3HE MET 83 HE1 MET 83 0.511 -11.282 -1.010 245 H LYS 84 HN LYS 84 -3.367 -7.425 -3.674 246 HA LYS 84 HA LYS 84 -4.178 -8.562 -6.118 247 1HB LYS 84 HB1 LYS 84 -5.785 -7.975 -4.651 248 2HB LYS 84 HB2 LYS 84 -4.957 -6.511 -4.141 249 1HG LYS 84 HG1 LYS 84 -5.987 -6.837 -6.979 250 2HG LYS 84 HG2 LYS 84 -6.974 -6.195 -5.544 251 1HD LYS 84 HD1 LYS 84 -6.287 -4.239 -5.473 252 2HD LYS 84 HD2 LYS 84 -4.637 -4.726 -5.579 253 1HE LYS 84 HE1 LYS 84 -5.095 -3.301 -7.540 254 2HE LYS 84 HE2 LYS 84 -4.972 -4.988 -8.177 255 1HZ LYS 84 HZ2 LYS 84 -7.364 -5.148 -8.033 256 2HZ LYS 84 HZ3 LYS 84 -7.467 -3.545 -7.491 257 3HZ LYS 84 HZ1 LYS 84 -6.871 -3.879 -9.048 258 H ALA 85 HN ALA 85 -2.810 -5.348 -5.207 259 HA ALA 85 HA ALA 85 -2.817 -4.357 -7.830 260 1HB ALA 85 HB1 ALA 85 -2.385 -3.128 -5.503 261 2HB ALA 85 HB2 ALA 85 -0.701 -3.841 -5.549 262 3HB ALA 85 HB3 ALA 85 -1.194 -2.655 -6.792 263 H LEU 86 HN LEU 86 -0.215 -6.003 -6.012 264 HA LEU 86 HA LEU 86 1.688 -5.642 -8.205 265 1HB LEU 86 HB1 LEU 86 1.730 -7.410 -5.706 266 2HB LEU 86 HB2 LEU 86 3.067 -7.047 -6.578 267 HG LEU 86 HG LEU 86 1.269 -4.758 -5.475 268 1HD1 LEU 86 HD23 LEU 86 1.367 -6.236 -3.764 269 2HD1 LEU 86 HD21 LEU 86 3.180 -6.072 -3.660 270 3HD1 LEU 86 HD22 LEU 86 2.043 -4.639 -3.415 271 1HD2 LEU 86 HD12 LEU 86 2.908 -4.063 -7.057 272 2HD2 LEU 86 HD13 LEU 86 3.062 -3.306 -5.447 273 3HD2 LEU 86 HD11 LEU 86 4.233 -4.626 -5.950 274 H LYS 87 HN LYS 87 -0.274 -8.122 -6.798 275 HA LYS 87 HA LYS 87 0.337 -10.173 -8.330 276 1HB LYS 87 HB1 LYS 87 -2.355 -9.137 -7.390 277 2HB LYS 87 HB2 LYS 87 -2.626 -9.743 -8.855 278 1HG LYS 87 HG1 LYS 87 -0.986 -11.716 -7.307 279 2HG LYS 87 HG2 LYS 87 -2.575 -11.367 -6.627 280 1HD LYS 87 HD1 LYS 87 -3.637 -11.899 -8.882 281 2HD LYS 87 HD2 LYS 87 -2.060 -12.174 -9.572 282 1HE LYS 87 HE1 LYS 87 -3.004 -14.373 -9.037 283 2HE LYS 87 HE2 LYS 87 -1.661 -14.074 -7.861 284 1HZ LYS 87 HZ2 LYS 87 -4.554 -13.602 -7.385 285 2HZ LYS 87 HZ3 LYS 87 -3.639 -14.914 -6.809 286 3HZ LYS 87 HZ1 LYS 87 -3.300 -13.337 -6.275 287 H VAL 88 HN VAL 88 -1.972 -7.784 -9.454 288 HA VAL 88 HA VAL 88 -2.232 -8.327 -12.062 289 HB VAL 88 HB VAL 88 -1.614 -5.516 -10.917 290 1HG1 VAL 88 HG12 VAL 88 -3.153 -6.161 -13.448 291 2HG1 VAL 88 HG13 VAL 88 -2.993 -4.549 -12.619 292 3HG1 VAL 88 HG11 VAL 88 -1.529 -5.320 -13.279 293 1HG2 VAL 88 HG23 VAL 88 -3.690 -7.135 -10.062 294 2HG2 VAL 88 HG21 VAL 88 -3.590 -5.327 -9.965 295 3HG2 VAL 88 HG22 VAL 88 -4.458 -6.127 -11.330 296 H ARG 89 HN ARG 89 0.519 -6.640 -10.586 297 HA ARG 89 HA ARG 89 1.776 -6.134 -13.083 298 1HB ARG 89 HB1 ARG 89 2.785 -5.960 -10.184 299 2HB ARG 89 HB2 ARG 89 3.503 -5.137 -11.544 300 1HG ARG 89 HG1 ARG 89 0.571 -4.580 -11.323 301 2HG ARG 89 HG2 ARG 89 1.252 -4.368 -9.800 302 1HD ARG 89 HD1 ARG 89 3.002 -2.763 -11.187 303 2HD ARG 89 HD2 ARG 89 1.928 -3.126 -12.604 304 HE ARG 89 HE ARG 89 0.795 -1.919 -10.059 305 1HH1 ARG 89 HH22 ARG 89 2.257 -1.228 -13.124 306 2HH1 ARG 89 HH21 ARG 89 1.706 0.420 -13.123 307 1HH2 ARG 89 HH12 ARG 89 -0.408 0.012 -10.347 308 2HH2 ARG 89 HH11 ARG 89 0.191 1.125 -11.530 309 H GLY 90 HN GLY 90 2.128 -8.480 -10.428 310 1HA GLY 90 HA2 GLY 90 2.954 -10.624 -10.796 311 2HA GLY 90 HA1 GLY 90 3.946 -10.056 -12.178 312 H LEU 91 HN LEU 91 3.518 -8.423 -9.013 313 HA LEU 91 HA LEU 91 6.456 -8.631 -8.705 314 1HB LEU 91 HB1 LEU 91 4.403 -6.550 -7.807 315 2HB LEU 91 HB2 LEU 91 6.012 -6.659 -7.068 316 HG LEU 91 HG LEU 91 5.079 -5.551 -9.683 317 1HD1 LEU 91 HD21 LEU 91 6.155 -4.172 -7.933 318 2HD1 LEU 91 HD22 LEU 91 7.679 -5.124 -8.118 319 3HD1 LEU 91 HD23 LEU 91 7.057 -4.135 -9.497 320 1HD2 LEU 91 HD13 LEU 91 7.617 -7.251 -9.743 321 2HD2 LEU 91 HD11 LEU 91 6.094 -7.471 -10.718 322 3HD2 LEU 91 HD12 LEU 91 7.121 -6.027 -10.975 323 H GLN 92 HN GLN 92 7.158 -8.559 -6.347 324 HA GLN 92 HA GLN 92 5.507 -10.540 -4.920 325 1HB GLN 92 HB1 GLN 92 8.390 -9.726 -4.374 326 2HB GLN 92 HB2 GLN 92 7.478 -11.061 -3.618 327 1HG GLN 92 HG1 GLN 92 7.265 -12.126 -5.938 328 2HG GLN 92 HG2 GLN 92 8.323 -10.828 -6.579 329 1HE2 GLN 92 HE21 GLN 92 10.695 -13.600 -5.660 330 2HE2 GLN 92 HE22 GLN 92 9.556 -13.264 -6.899 331 HA PRO 93 HA PRO 93 5.043 -7.144 -2.187 332 1HB PRO 93 HB1 PRO 93 3.106 -8.115 -0.621 333 2HB PRO 93 HB2 PRO 93 2.765 -7.588 -2.239 334 1HG PRO 93 HG1 PRO 93 2.976 -10.406 -1.323 335 2HG PRO 93 HG2 PRO 93 1.926 -9.700 -2.527 336 1HD PRO 93 HD1 PRO 93 4.202 -11.116 -3.155 337 2HD PRO 93 HD2 PRO 93 3.574 -9.855 -4.185 338 H GLU 94 HN GLU 94 5.608 -10.585 -1.254 339 HA GLU 94 HA GLU 94 5.748 -9.951 1.518 340 1HB GLU 94 HB1 GLU 94 6.959 -12.418 0.167 341 2HB GLU 94 HB2 GLU 94 6.518 -12.241 1.868 342 1HG GLU 94 HG1 GLU 94 4.662 -13.428 1.178 343 2HG GLU 94 HG2 GLU 94 4.037 -11.752 0.893 344 H CYS 95 HN CYS 95 7.927 -9.599 -1.152 345 HA CYS 95 HA CYS 95 10.256 -9.743 0.615 346 1HB CYS 95 HB1 CYS 95 9.984 -10.672 -1.908 347 2HB CYS 95 HB2 CYS 95 10.385 -8.999 -2.325 348 HG1 CYS 95 HG1 CYS 95 12.533 -10.590 -2.381 349 H CYS 96 HN CYS 96 7.900 -7.522 0.144 350 HA CYS 96 HA CYS 96 9.827 -5.285 -0.022 351 1HB CYS 96 HB1 CYS 96 6.934 -5.565 -1.062 352 2HB CYS 96 HB2 CYS 96 7.801 -4.075 -1.069 353 HG1 CYS 96 HG1 CYS 96 7.850 -6.490 -3.104 354 H ALA 97 HN ALA 97 8.622 -3.223 0.736 355 HA ALA 97 HA ALA 97 7.001 -3.827 3.125 356 1HB ALA 97 HB3 ALA 97 9.257 -1.760 2.980 357 2HB ALA 97 HB1 ALA 97 7.918 -1.679 4.147 358 3HB ALA 97 HB2 ALA 97 8.965 -3.091 4.260 359 H VAL 98 HN VAL 98 5.138 -2.648 3.112 360 HA VAL 98 HA VAL 98 4.853 -0.648 0.992 361 HB VAL 98 HB VAL 98 3.063 -2.215 0.944 362 1HG1 VAL 98 HG12 VAL 98 3.420 -2.270 3.858 363 2HG1 VAL 98 HG13 VAL 98 1.753 -2.105 3.424 364 3HG1 VAL 98 HG11 VAL 98 2.722 -3.504 2.699 365 1HG2 VAL 98 HG21 VAL 98 2.429 0.298 0.944 366 2HG2 VAL 98 HG22 VAL 98 1.149 -0.922 1.211 367 3HG2 VAL 98 HG23 VAL 98 1.761 -0.077 2.634 368 H PHE 99 HN PHE 99 3.948 1.424 1.535 369 HA PHE 99 HA PHE 99 4.458 2.297 4.300 370 1HB PHE 99 HB1 PHE 99 5.857 3.336 1.760 371 2HB PHE 99 HB2 PHE 99 5.616 4.365 3.134 372 HD1 PHE 99 HD1 PHE 99 6.980 1.134 1.784 373 HD2 PHE 99 HD2 PHE 99 7.237 3.775 5.151 374 HE1 PHE 99 HE1 PHE 99 9.259 0.418 2.237 375 HE2 PHE 99 HE2 PHE 99 9.463 3.042 5.554 376 HZ PHE 99 HZ PHE 99 10.624 1.870 3.719 377 H ARG 100 HN ARG 100 3.673 4.532 4.609 378 HA ARG 100 HA ARG 100 1.599 5.532 2.634 379 1HB ARG 100 HB1 ARG 100 0.358 5.322 4.278 380 2HB ARG 100 HB2 ARG 100 1.734 5.495 5.465 381 1HG ARG 100 HG1 ARG 100 2.050 7.765 5.066 382 2HG ARG 100 HG2 ARG 100 0.732 7.805 3.849 383 1HD ARG 100 HD1 ARG 100 -0.611 6.710 6.007 384 2HD ARG 100 HD2 ARG 100 0.720 7.395 6.892 385 HE ARG 100 HE ARG 100 -1.313 8.843 5.011 386 1HH1 ARG 100 HH22 ARG 100 1.421 9.259 7.181 387 2HH1 ARG 100 HH21 ARG 100 1.311 10.997 7.158 388 1HH2 ARG 100 HH12 ARG 100 -1.725 11.018 5.338 389 2HH2 ARG 100 HH11 ARG 100 -0.522 12.012 6.157 390 H LEU 101 HN LEU 101 2.227 7.389 1.698 391 HA LEU 101 HA LEU 101 4.934 7.986 1.740 392 1HB LEU 101 HB1 LEU 101 2.489 9.448 0.515 393 2HB LEU 101 HB2 LEU 101 4.124 10.052 0.262 394 HG LEU 101 HG LEU 101 4.743 7.725 -0.667 395 1HD1 LEU 101 HD22 LEU 101 1.842 7.227 -0.291 396 2HD1 LEU 101 HD23 LEU 101 2.747 6.494 -1.663 397 3HD1 LEU 101 HD21 LEU 101 3.290 6.189 0.034 398 1HD2 LEU 101 HD13 LEU 101 4.197 9.691 -2.226 399 2HD2 LEU 101 HD11 LEU 101 3.640 8.109 -2.899 400 3HD2 LEU 101 HD12 LEU 101 2.445 9.217 -2.144 401 H LEU 102 HN LEU 102 5.771 10.318 1.886 402 HA LEU 102 HA LEU 102 5.258 11.089 4.559 403 1HB LEU 102 HB1 LEU 102 7.102 12.860 3.753 404 2HB LEU 102 HB2 LEU 102 7.462 11.223 4.380 405 HG LEU 102 HG LEU 102 7.580 10.313 2.095 406 1HD1 LEU 102 HD23 LEU 102 5.961 12.010 1.051 407 2HD1 LEU 102 HD21 LEU 102 7.269 13.204 1.094 408 3HD1 LEU 102 HD22 LEU 102 7.485 11.685 0.110 409 1HD2 LEU 102 HD13 LEU 102 9.624 11.153 3.168 410 2HD2 LEU 102 HD11 LEU 102 9.644 11.294 1.370 411 3HD2 LEU 102 HD12 LEU 102 9.364 12.762 2.385 412 H HIS 103 HN HSP 103 3.094 11.978 4.486 413 HA HIS 103 HA HSP 103 2.875 14.472 2.963 414 1HB HIS 103 HB1 HSP 103 0.824 13.073 4.728 415 2HB HIS 103 HB2 HSP 103 0.540 14.484 3.650 416 HD1 HIS 103 HD1 HSP 103 0.456 10.855 3.770 417 HD2 HIS 103 HD2 HSP 103 0.950 13.737 0.765 418 HE1 HIS 103 HE1 HSP 103 0.117 9.691 1.538 419 HE2 HIS 103 HE2 HSP 103 0.332 11.481 -0.254 420 H GLU 104 HN GLU 104 3.781 13.286 6.117 421 HA GLU 104 HA GLU 104 3.760 16.081 7.061 422 1HB GLU 104 HB1 GLU 104 3.090 13.764 8.927 423 2HB GLU 104 HB2 GLU 104 3.000 15.493 9.252 424 1HG GLU 104 HG1 GLU 104 0.735 14.989 8.971 425 2HG GLU 104 HG2 GLU 104 1.175 15.607 7.331 426 H HIS 105 HN HSP 105 5.796 14.203 5.812 427 HA HIS 105 HA HSP 105 7.697 14.374 7.996 428 1HB HIS 105 HB1 HSP 105 8.186 11.822 6.668 429 2HB HIS 105 HB2 HSP 105 8.067 12.178 8.405 430 HD1 HIS 105 HD1 HSP 105 5.289 12.418 9.089 431 HD2 HIS 105 HD2 HSP 105 6.391 10.007 5.844 432 HE1 HIS 105 HE1 HSP 105 3.364 10.825 8.645 433 HE2 HIS 105 HE2 HSP 105 4.044 9.438 6.645 434 H LYS 106 HN LYS 106 9.981 13.931 7.015 435 HA LYS 106 HA LYS 106 9.946 13.967 4.093 436 1HB LYS 106 HB1 LYS 106 11.029 16.031 6.032 437 2HB LYS 106 HB2 LYS 106 12.081 15.609 4.700 438 1HG LYS 106 HG1 LYS 106 9.145 16.567 4.406 439 2HG LYS 106 HG2 LYS 106 10.558 17.612 4.314 440 1HD LYS 106 HD1 LYS 106 9.855 15.304 2.385 441 2HD LYS 106 HD2 LYS 106 9.741 17.028 2.037 442 1HE LYS 106 HE1 LYS 106 12.380 15.529 2.638 443 2HE LYS 106 HE2 LYS 106 11.779 16.014 1.008 444 1HZ LYS 106 HZ3 LYS 106 11.802 18.297 1.712 445 2HZ LYS 106 HZ1 LYS 106 12.372 17.862 3.247 446 3HZ LYS 106 HZ2 LYS 106 13.338 17.589 1.876 447 H GLY 107 HN GLY 107 11.720 12.987 3.198 448 1HA GLY 107 HA2 GLY 107 13.685 11.932 3.117 449 2HA GLY 107 HA1 GLY 107 13.926 12.220 4.866 450 H LYS 108 HN LYS 108 10.897 10.853 4.818 451 HA LYS 108 HA LYS 108 11.788 8.102 4.714 452 1HB LYS 108 HB1 LYS 108 11.079 9.455 7.328 453 2HB LYS 108 HB2 LYS 108 10.954 7.698 7.030 454 1HG LYS 108 HG1 LYS 108 13.511 8.081 6.149 455 2HG LYS 108 HG2 LYS 108 13.430 9.407 7.316 456 1HD LYS 108 HD1 LYS 108 12.733 6.396 7.772 457 2HD LYS 108 HD2 LYS 108 14.308 7.107 8.158 458 1HE LYS 108 HE1 LYS 108 11.632 7.981 9.454 459 2HE LYS 108 HE2 LYS 108 12.817 6.827 10.186 460 1HZ LYS 108 HZ1 LYS 108 14.474 8.550 10.104 461 2HZ LYS 108 HZ2 LYS 108 13.367 9.639 9.425 462 3HZ LYS 108 HZ3 LYS 108 13.115 9.047 10.998 463 H LYS 109 HN LYS 109 10.067 6.872 4.273 464 HA LYS 109 HA LYS 109 7.402 8.100 4.076 465 1HB LYS 109 HB1 LYS 109 8.874 5.778 2.898 466 2HB LYS 109 HB2 LYS 109 7.601 5.267 3.389 467 1HG LYS 109 HG1 LYS 109 6.927 7.746 1.841 468 2HG LYS 109 HG2 LYS 109 8.537 7.328 1.303 469 1HD LYS 109 HD1 LYS 109 6.032 5.559 1.112 470 2HD LYS 109 HD2 LYS 109 6.782 6.385 -0.201 471 1HE LYS 109 HE1 LYS 109 8.262 4.256 1.497 472 2HE LYS 109 HE2 LYS 109 7.383 3.878 -0.034 473 1HZ LYS 109 HZ2 LYS 109 8.821 5.508 -1.128 474 2HZ LYS 109 HZ3 LYS 109 9.690 5.714 0.332 475 3HZ LYS 109 HZ1 LYS 109 9.668 4.206 -0.487 476 H ALA 110 HN ALA 110 5.668 6.668 5.029 477 HA ALA 110 HA ALA 110 6.577 6.096 7.791 478 1HB ALA 110 HB1 ALA 110 3.727 6.591 6.901 479 2HB ALA 110 HB2 ALA 110 4.267 6.010 8.536 480 3HB ALA 110 HB3 ALA 110 4.749 7.643 7.971 481 H ARG 111 HN ARG 111 6.793 3.853 8.306 482 HA ARG 111 HA ARG 111 6.123 2.166 6.056 483 1HB ARG 111 HB1 ARG 111 8.449 2.476 7.241 484 2HB ARG 111 HB2 ARG 111 7.683 1.605 8.607 485 1HG ARG 111 HG1 ARG 111 7.599 0.393 5.816 486 2HG ARG 111 HG2 ARG 111 9.089 0.359 6.753 487 1HD ARG 111 HD1 ARG 111 7.316 -0.424 8.705 488 2HD ARG 111 HD2 ARG 111 6.429 -0.991 7.291 489 HE ARG 111 HE ARG 111 9.370 -1.785 7.484 490 1HH1 ARG 111 HH22 ARG 111 6.077 -2.693 8.280 491 2HH1 ARG 111 HH21 ARG 111 6.507 -4.362 8.498 492 1HH2 ARG 111 HH12 ARG 111 9.802 -4.029 7.266 493 2HH2 ARG 111 HH11 ARG 111 8.599 -5.123 7.897 494 H LEU 112 HN LEU 112 4.896 0.441 6.288 495 HA LEU 112 HA LEU 112 3.067 0.560 8.619 496 1HB LEU 112 HB1 LEU 112 2.528 -0.220 5.708 497 2HB LEU 112 HB2 LEU 112 1.308 -0.005 7.038 498 HG LEU 112 HG LEU 112 2.964 2.272 6.043 499 1HD1 LEU 112 HD13 LEU 112 1.428 1.412 4.283 500 2HD1 LEU 112 HD11 LEU 112 0.043 1.625 5.424 501 3HD1 LEU 112 HD12 LEU 112 1.003 3.051 4.882 502 1HD2 LEU 112 HD23 LEU 112 0.625 2.011 7.998 503 2HD2 LEU 112 HD21 LEU 112 2.262 2.668 8.315 504 3HD2 LEU 112 HD22 LEU 112 1.137 3.582 7.228 505 H ASP 113 HN ASP 113 1.605 -1.707 7.427 506 HA ASP 113 HA ASP 113 3.510 -3.873 7.962 507 1HB ASP 113 HB1 ASP 113 2.047 -3.267 10.017 508 2HB ASP 113 HB2 ASP 113 0.632 -3.783 9.025 509 H TRP 114 HN TRP 114 2.735 -5.907 6.934 510 HA TRP 114 HA TRP 114 1.310 -5.511 4.844 511 1HB TRP 114 HB1 TRP 114 2.717 -7.820 6.323 512 2HB TRP 114 HB2 TRP 114 1.534 -8.422 5.151 513 HD1 TRP 114 HD1 TRP 114 5.089 -8.219 4.862 514 HE1 TRP 114 HE1 TRP 114 5.955 -7.014 2.736 515 HE3 TRP 114 HE3 TRP 114 0.779 -6.503 3.418 516 HZ2 TRP 114 HZ2 TRP 114 4.633 -5.667 0.449 517 HZ3 TRP 114 HZ3 TRP 114 0.440 -5.424 1.175 518 HH2 TRP 114 HH2 TRP 114 2.335 -4.980 -0.227 519 H ASN 115 HN ASN 115 0.035 -6.013 7.868 520 HA ASN 115 HA ASN 115 -2.561 -6.498 6.492 521 1HB ASN 115 HB1 ASN 115 -1.244 -7.736 8.870 522 2HB ASN 115 HB2 ASN 115 -2.739 -6.953 9.343 523 1HD2 ASN 115 HD21 ASN 115 -4.700 -9.439 7.505 524 2HD2 ASN 115 HD22 ASN 115 -4.742 -7.923 8.328 525 H THR 116 HN THR 116 -1.283 -4.115 6.620 526 HA THR 116 HA THR 116 -1.477 -2.931 8.970 527 HB THR 116 HB THR 116 0.018 -2.310 6.880 528 HG1 THR 116 HG1 THR 116 -0.643 -0.563 9.011 529 1HG2 THR 116 HG23 THR 116 -2.280 -0.708 6.329 530 2HG2 THR 116 HG21 THR 116 -1.178 0.401 7.184 531 3HG2 THR 116 HG22 THR 116 -0.584 -0.441 5.707 532 H ASP 117 HN ASP 117 -4.096 -3.434 7.131 533 HA ASP 117 HA ASP 117 -6.263 -2.630 7.096 534 1HB ASP 117 HB1 ASP 117 -5.948 -2.523 9.538 535 2HB ASP 117 HB2 ASP 117 -5.274 -0.927 9.363 536 H ALA 118 HN ALA 118 -5.760 -1.889 4.937 537 HA ALA 118 HA ALA 118 -4.686 0.716 4.316 538 1HB ALA 118 HB2 ALA 118 -6.520 -1.510 3.158 539 2HB ALA 118 HB3 ALA 118 -6.105 -0.064 2.199 540 3HB ALA 118 HB1 ALA 118 -4.790 -1.183 2.733 541 H ALA 119 HN ALA 119 -7.716 -0.424 5.670 542 HA ALA 119 HA ALA 119 -9.404 1.697 4.659 543 1HB ALA 119 HB3 ALA 119 -9.069 -0.544 6.804 544 2HB ALA 119 HB1 ALA 119 -10.517 0.588 6.927 545 3HB ALA 119 HB2 ALA 119 -10.277 -0.493 5.496 546 H SER 120 HN SER 120 -6.790 1.521 6.985 547 HA SER 120 HA SER 120 -7.857 3.858 8.425 548 1HB SER 120 HB1 SER 120 -5.484 2.012 8.878 549 2HB SER 120 HB2 SER 120 -5.664 3.609 9.725 550 HG SER 120 HG1 SER 120 -7.399 1.354 9.762 551 H LEU 121 HN LEU 121 -5.904 3.002 5.694 552 HA LEU 121 HA LEU 121 -4.472 5.614 5.799 553 1HB LEU 121 HB1 LEU 121 -4.024 3.250 3.898 554 2HB LEU 121 HB2 LEU 121 -3.041 4.670 4.026 555 HG LEU 121 HG LEU 121 -1.750 3.163 5.275 556 1HD1 LEU 121 HD22 LEU 121 -2.268 5.099 6.769 557 2HD1 LEU 121 HD23 LEU 121 -3.682 4.238 7.403 558 3HD1 LEU 121 HD21 LEU 121 -2.022 3.545 7.702 559 1HD2 LEU 121 HD11 LEU 121 -4.416 1.894 5.966 560 2HD2 LEU 121 HD12 LEU 121 -2.904 1.145 5.344 561 3HD2 LEU 121 HD13 LEU 121 -3.029 1.645 7.087 562 H ILE 122 HN ILE 122 -7.026 4.150 4.892 563 HA ILE 122 HA ILE 122 -7.596 4.575 2.385 564 HB ILE 122 HB ILE 122 -9.239 3.837 4.334 565 1HG1 ILE 122 HG11 ILE 122 -11.107 3.881 2.539 566 2HG1 ILE 122 HG12 ILE 122 -9.747 4.383 1.456 567 1HG2 ILE 122 HG22 ILE 122 -9.897 6.132 5.019 568 2HG2 ILE 122 HG23 ILE 122 -10.557 6.396 3.335 569 3HG2 ILE 122 HG21 ILE 122 -11.288 5.156 4.373 570 1HD1 ILE 122 HD3 ILE 122 -8.545 2.278 2.621 571 2HD1 ILE 122 HD1 ILE 122 -10.313 1.732 2.565 572 3HD1 ILE 122 HD2 ILE 122 -9.471 2.222 1.091 573 H GLY 123 HN GLY 123 -8.240 6.037 1.009 574 1HA GLY 123 HA2 GLY 123 -8.572 8.037 0.044 575 2HA GLY 123 HA1 GLY 123 -8.671 8.767 1.680 576 H GLU 124 HN GLU 124 -5.727 7.096 1.473 577 HA GLU 124 HA GLU 124 -4.366 9.681 1.036 578 1HB GLU 124 HB1 GLU 124 -3.263 7.204 2.387 579 2HB GLU 124 HB2 GLU 124 -2.613 8.862 2.409 580 1HG GLU 124 HG1 GLU 124 -5.441 8.330 3.505 581 2HG GLU 124 HG2 GLU 124 -4.072 7.705 4.405 582 H GLU 125 HN GLU 125 -1.819 8.462 0.865 583 HA GLU 125 HA GLU 125 -1.948 7.083 -1.759 584 1HB GLU 125 HB1 GLU 125 0.071 9.175 -0.788 585 2HB GLU 125 HB2 GLU 125 0.446 8.033 -2.061 586 1HG GLU 125 HG1 GLU 125 -0.493 9.049 -3.699 587 2HG GLU 125 HG2 GLU 125 -2.077 9.087 -2.866 588 H LEU 126 HN LEU 126 -0.841 5.139 -1.670 589 HA LEU 126 HA LEU 126 1.214 5.011 0.312 590 1HB LEU 126 HB1 LEU 126 -0.723 2.896 -0.774 591 2HB LEU 126 HB2 LEU 126 0.778 2.365 -0.082 592 HG LEU 126 HG LEU 126 -0.066 4.160 1.878 593 1HD1 LEU 126 HD22 LEU 126 -2.490 3.450 0.549 594 2HD1 LEU 126 HD23 LEU 126 -2.432 3.336 2.359 595 3HD1 LEU 126 HD21 LEU 126 -1.957 4.863 1.562 596 1HD2 LEU 126 HD12 LEU 126 0.903 1.863 2.248 597 2HD2 LEU 126 HD13 LEU 126 -0.595 2.139 3.238 598 3HD2 LEU 126 HD11 LEU 126 -0.674 1.132 1.747 599 H GLN 127 HN GLN 127 2.931 3.320 -0.112 600 HA GLN 127 HA GLN 127 3.568 3.103 -2.956 601 1HB GLN 127 HB1 GLN 127 4.648 5.324 -2.036 602 2HB GLN 127 HB2 GLN 127 5.649 4.269 -1.052 603 1HG GLN 127 HG1 GLN 127 5.852 3.199 -3.739 604 2HG GLN 127 HG2 GLN 127 5.807 5.026 -3.936 605 1HE2 GLN 127 HE21 GLN 127 9.241 3.596 -2.560 606 2HE2 GLN 127 HE22 GLN 127 7.966 2.519 -3.029 607 H VAL 128 HN VAL 128 5.305 1.455 -3.229 608 HA VAL 128 HA VAL 128 5.673 -0.132 -0.752 609 HB VAL 128 HB VAL 128 5.193 -1.091 -3.582 610 1HG1 VAL 128 HG13 VAL 128 6.360 -2.665 -1.206 611 2HG1 VAL 128 HG11 VAL 128 5.730 -3.386 -2.736 612 3HG1 VAL 128 HG12 VAL 128 7.175 -2.336 -2.801 613 1HG2 VAL 128 HG22 VAL 128 3.212 -0.846 -2.009 614 2HG2 VAL 128 HG23 VAL 128 3.522 -2.509 -2.625 615 3HG2 VAL 128 HG21 VAL 128 3.996 -2.071 -0.929 616 H ASP 129 HN ASP 129 7.785 -0.915 -0.407 617 HA ASP 129 HA ASP 129 9.741 -0.113 -2.405 618 1HB ASP 129 HB1 ASP 129 9.302 1.376 0.063 619 2HB ASP 129 HB2 ASP 129 10.786 0.398 0.335 620 H PHE 130 HN PHE 130 12.069 -0.894 -1.113 621 HA PHE 130 HA PHE 130 11.631 -3.713 -0.946 622 1HB PHE 130 HB1 PHE 130 14.143 -3.652 -0.174 623 2HB PHE 130 HB2 PHE 130 13.733 -3.279 -1.879 624 HD1 PHE 130 HD1 PHE 130 14.624 -1.768 1.415 625 HD2 PHE 130 HD2 PHE 130 13.914 -1.006 -2.741 626 HE1 PHE 130 HE1 PHE 130 15.567 0.477 1.647 627 HE2 PHE 130 HE2 PHE 130 14.859 1.232 -2.484 628 HZ PHE 130 HZ PHE 130 15.688 1.985 -0.292 629 H LEU 131 HN LEU 131 12.410 -4.955 1.023 630 HA LEU 131 HA LEU 131 11.108 -4.101 3.213 631 1HB LEU 131 HB1 LEU 131 13.018 -6.367 2.735 632 2HB LEU 131 HB2 LEU 131 12.529 -5.952 4.435 633 HG LEU 131 HG LEU 131 10.415 -6.371 2.298 634 1HD1 LEU 131 HD22 LEU 131 11.815 -8.349 2.159 635 2HD1 LEU 131 HD23 LEU 131 11.704 -8.589 3.940 636 3HD1 LEU 131 HD21 LEU 131 10.207 -8.708 2.940 637 1HD2 LEU 131 HD12 LEU 131 9.801 -5.310 4.493 638 2HD2 LEU 131 HD13 LEU 131 8.966 -6.878 4.141 639 3HD2 LEU 131 HD11 LEU 131 10.339 -6.813 5.323 640 H ASP 132 HN ASP 132 11.629 -2.554 4.172 641 HA ASP 132 HA ASP 132 12.747 -0.756 5.287 642 1HB ASP 132 HB1 ASP 132 13.749 -3.349 6.596 643 2HB ASP 132 HB2 ASP 132 13.624 -1.714 7.386 No H/Q in entry = 643 Start of MODEL 25 1 1H SER 55 HT3 SER 55 -13.734 7.340 3.263 2 2H SER 55 HT2 SER 55 -12.067 7.348 3.458 3 3H SER 55 HT1 SER 55 -12.837 8.699 2.752 4 HA SER 55 HA SER 55 -13.448 7.450 0.858 5 1HB SER 55 HB1 SER 55 -11.005 8.425 1.169 6 2HB SER 55 HB2 SER 55 -10.514 6.715 1.403 7 HG SER 55 HG1 SER 55 -11.579 8.020 -0.851 8 H ASN 56 HN ASN 56 -12.504 5.383 -0.409 9 HA ASN 56 HA ASN 56 -12.261 3.082 1.374 10 1HB ASN 56 HB1 ASN 56 -14.718 3.287 0.779 11 2HB ASN 56 HB2 ASN 56 -14.229 2.946 -0.932 12 1HD2 ASN 56 HD21 ASN 56 -13.600 -0.537 -0.112 13 2HD2 ASN 56 HD22 ASN 56 -13.318 0.714 -1.254 14 H THR 57 HN THR 57 -10.621 4.917 -0.360 15 HA THR 57 HA THR 57 -9.591 2.847 -2.181 16 HB THR 57 HB THR 57 -9.316 4.427 -4.007 17 HG1 THR 57 HG1 THR 57 -10.458 6.221 -2.123 18 1HG2 THR 57 HG23 THR 57 -11.634 3.330 -3.818 19 2HG2 THR 57 HG21 THR 57 -12.202 4.830 -2.990 20 3HG2 THR 57 HG22 THR 57 -11.611 4.915 -4.690 21 H ILE 58 HN ILE 58 -7.330 3.026 -2.507 22 HA ILE 58 HA ILE 58 -6.068 5.353 -1.356 23 HB ILE 58 HB ILE 58 -4.503 2.870 -0.764 24 1HG1 ILE 58 HG11 ILE 58 -5.698 2.740 1.561 25 2HG1 ILE 58 HG12 ILE 58 -7.119 3.307 0.682 26 1HG2 ILE 58 HG22 ILE 58 -4.926 5.517 0.678 27 2HG2 ILE 58 HG23 ILE 58 -4.065 4.132 1.405 28 3HG2 ILE 58 HG21 ILE 58 -3.451 4.855 -0.125 29 1HD1 ILE 58 HD3 ILE 58 -5.364 0.902 -0.208 30 2HD1 ILE 58 HD1 ILE 58 -6.745 0.736 0.913 31 3HD1 ILE 58 HD2 ILE 58 -7.032 1.311 -0.784 32 H ARG 59 HN ARG 59 -3.578 5.337 -2.173 33 HA ARG 59 HA ARG 59 -3.748 4.166 -4.865 34 1HB ARG 59 HB1 ARG 59 -2.256 6.515 -3.659 35 2HB ARG 59 HB2 ARG 59 -1.867 5.820 -5.249 36 1HG ARG 59 HG1 ARG 59 -3.230 7.518 -5.835 37 2HG ARG 59 HG2 ARG 59 -4.323 6.142 -5.935 38 1HD ARG 59 HD1 ARG 59 -5.748 7.520 -4.741 39 2HD ARG 59 HD2 ARG 59 -4.770 7.013 -3.309 40 HE ARG 59 HE ARG 59 -4.039 9.453 -4.976 41 1HH1 ARG 59 HH22 ARG 59 -5.714 8.307 -2.143 42 2HH1 ARG 59 HH21 ARG 59 -6.066 9.908 -1.636 43 1HH2 ARG 59 HH12 ARG 59 -3.491 11.285 -3.500 44 2HH2 ARG 59 HH11 ARG 59 -4.836 11.655 -2.503 45 H VAL 60 HN VAL 60 -1.737 3.341 -5.706 46 HA VAL 60 HA VAL 60 0.099 2.435 -3.570 47 HB VAL 60 HB VAL 60 -0.631 0.572 -5.832 48 1HG1 VAL 60 HG12 VAL 60 1.549 0.253 -4.645 49 2HG1 VAL 60 HG13 VAL 60 0.650 0.027 -3.108 50 3HG1 VAL 60 HG11 VAL 60 0.399 -1.134 -4.477 51 1HG2 VAL 60 HG23 VAL 60 -2.736 0.879 -4.599 52 2HG2 VAL 60 HG21 VAL 60 -2.021 -0.750 -4.291 53 3HG2 VAL 60 HG22 VAL 60 -1.894 0.547 -3.037 54 H PHE 61 HN PHE 61 1.944 3.432 -4.075 55 HA PHE 61 HA PHE 61 2.537 3.973 -6.897 56 1HB PHE 61 HB1 PHE 61 3.709 4.918 -4.267 57 2HB PHE 61 HB2 PHE 61 4.653 5.026 -5.819 58 HD1 PHE 61 HD2 PHE 61 1.093 5.657 -4.645 59 HD2 PHE 61 HD1 PHE 61 4.453 7.075 -6.886 60 HE1 PHE 61 HE2 PHE 61 -0.179 7.626 -5.320 61 HE2 PHE 61 HE1 PHE 61 3.206 9.112 -7.426 62 HZ PHE 61 HZ PHE 61 0.892 9.400 -6.639 63 H LEU 62 HN LEU 62 4.391 3.056 -7.972 64 HA LEU 62 HA LEU 62 5.144 0.537 -6.705 65 1HB LEU 62 HB1 LEU 62 5.572 1.742 -9.424 66 2HB LEU 62 HB2 LEU 62 6.763 0.514 -8.826 67 HG LEU 62 HG LEU 62 4.718 -0.158 -10.316 68 1HD1 LEU 62 HD11 LEU 62 6.111 -1.803 -9.027 69 2HD1 LEU 62 HD12 LEU 62 4.888 -1.689 -7.678 70 3HD1 LEU 62 HD13 LEU 62 4.399 -2.290 -9.293 71 1HD2 LEU 62 HD23 LEU 62 3.026 1.238 -9.081 72 2HD2 LEU 62 HD21 LEU 62 2.570 -0.495 -9.327 73 3HD2 LEU 62 HD22 LEU 62 3.138 0.066 -7.711 74 HA PRO 63 HA PRO 63 8.454 2.117 -4.778 75 1HB PRO 63 HB1 PRO 63 10.309 0.155 -6.119 76 2HB PRO 63 HB2 PRO 63 10.178 0.542 -4.443 77 1HG PRO 63 HG1 PRO 63 9.025 -1.624 -5.903 78 2HG PRO 63 HG2 PRO 63 8.461 -1.163 -4.325 79 1HD PRO 63 HD1 PRO 63 6.866 -1.009 -6.576 80 2HD PRO 63 HD2 PRO 63 6.582 -0.123 -5.181 81 H ASN 64 HN ASN 64 8.477 4.124 -5.903 82 HA ASN 64 HA ASN 64 9.748 5.772 -6.595 83 1HB ASN 64 HB1 ASN 64 12.001 3.824 -7.301 84 2HB ASN 64 HB2 ASN 64 12.120 5.618 -7.174 85 1HD2 ASN 64 HD21 ASN 64 12.363 3.352 -3.796 86 2HD2 ASN 64 HD22 ASN 64 12.333 2.672 -5.389 87 H LYS 65 HN LYS 65 8.091 3.759 -8.309 88 HA LYS 65 HA LYS 65 8.819 5.110 -10.813 89 1HB LYS 65 HB1 LYS 65 7.612 2.297 -10.703 90 2HB LYS 65 HB2 LYS 65 8.350 3.143 -12.111 91 1HG LYS 65 HG1 LYS 65 9.735 2.125 -9.528 92 2HG LYS 65 HG2 LYS 65 9.675 1.237 -11.040 93 1HD LYS 65 HD1 LYS 65 11.258 2.523 -12.122 94 2HD LYS 65 HD2 LYS 65 10.789 4.020 -11.316 95 1HE LYS 65 HE1 LYS 65 11.776 2.701 -9.125 96 2HE LYS 65 HE2 LYS 65 12.791 1.958 -10.434 97 1HZ LYS 65 HZ3 LYS 65 12.332 4.855 -9.910 98 2HZ LYS 65 HZ1 LYS 65 13.734 3.970 -9.517 99 3HZ LYS 65 HZ2 LYS 65 13.303 4.216 -11.147 100 H GLN 66 HN GLN 66 6.185 2.885 -10.296 101 HA GLN 66 HA GLN 66 4.599 4.925 -11.412 102 1HB GLN 66 HB1 GLN 66 4.797 2.006 -11.629 103 2HB GLN 66 HB2 GLN 66 3.196 2.342 -11.313 104 1HG GLN 66 HG1 GLN 66 4.476 4.151 -13.406 105 2HG GLN 66 HG2 GLN 66 4.579 2.413 -13.795 106 1HE2 GLN 66 HE21 GLN 66 0.877 4.333 -13.627 107 2HE2 GLN 66 HE22 GLN 66 2.328 5.150 -13.181 108 H ARG 67 HN ARG 67 2.025 3.995 -11.083 109 HA ARG 67 HA ARG 67 1.383 4.146 -8.253 110 1HB ARG 67 HB1 ARG 67 0.089 6.259 -8.591 111 2HB ARG 67 HB2 ARG 67 1.839 6.468 -8.508 112 1HG ARG 67 HG1 ARG 67 0.608 6.057 -11.261 113 2HG ARG 67 HG2 ARG 67 0.212 7.553 -10.435 114 1HD ARG 67 HD1 ARG 67 2.401 8.394 -10.497 115 2HD ARG 67 HD2 ARG 67 3.146 6.767 -10.445 116 HE ARG 67 HE ARG 67 1.627 7.704 -12.913 117 1HH1 ARG 67 HH22 ARG 67 4.744 7.378 -11.380 118 2HH1 ARG 67 HH21 ARG 67 5.579 7.748 -12.845 119 1HH2 ARG 67 HH12 ARG 67 2.742 7.492 -14.897 120 2HH2 ARG 67 HH11 ARG 67 4.449 7.763 -14.852 121 H THR 68 HN THR 68 -1.002 4.255 -7.997 122 HA THR 68 HA THR 68 -2.726 4.021 -10.133 123 HB THR 68 HB THR 68 -1.694 1.809 -10.662 124 HG1 THR 68 HG1 THR 68 -3.738 0.640 -10.220 125 1HG2 THR 68 HG21 THR 68 -0.983 1.192 -8.286 126 2HG2 THR 68 HG22 THR 68 -2.724 0.910 -7.895 127 3HG2 THR 68 HG23 THR 68 -1.911 -0.101 -9.143 128 H VAL 69 HN VAL 69 -4.917 2.905 -9.188 129 HA VAL 69 HA VAL 69 -5.014 3.691 -6.329 130 HB VAL 69 HB VAL 69 -6.201 5.411 -7.385 131 1HG1 VAL 69 HG11 VAL 69 -6.527 4.460 -9.648 132 2HG1 VAL 69 HG12 VAL 69 -7.738 3.283 -8.987 133 3HG1 VAL 69 HG13 VAL 69 -8.080 5.053 -8.959 134 1HG2 VAL 69 HG22 VAL 69 -7.195 4.499 -5.354 135 2HG2 VAL 69 HG23 VAL 69 -8.354 5.302 -6.473 136 3HG2 VAL 69 HG21 VAL 69 -8.314 3.507 -6.388 137 H VAL 70 HN VAL 70 -6.217 2.337 -5.014 138 HA VAL 70 HA VAL 70 -7.304 -0.084 -6.333 139 HB VAL 70 HB VAL 70 -6.482 -1.440 -4.446 140 1HG1 VAL 70 HG11 VAL 70 -5.175 -1.443 -6.530 141 2HG1 VAL 70 HG12 VAL 70 -4.236 -0.018 -5.959 142 3HG1 VAL 70 HG13 VAL 70 -4.119 -1.597 -5.072 143 1HG2 VAL 70 HG21 VAL 70 -6.226 0.291 -2.713 144 2HG2 VAL 70 HG22 VAL 70 -4.711 -0.647 -2.953 145 3HG2 VAL 70 HG23 VAL 70 -4.844 1.020 -3.633 146 H ASN 71 HN ASN 71 -8.855 -1.223 -4.879 147 HA ASN 71 HA ASN 71 -10.227 0.735 -3.118 148 1HB ASN 71 HB1 ASN 71 -11.384 -1.434 -4.960 149 2HB ASN 71 HB2 ASN 71 -12.305 -0.707 -3.580 150 1HD2 ASN 71 HD21 ASN 71 -11.464 1.645 -6.897 151 2HD2 ASN 71 HD22 ASN 71 -10.513 0.230 -6.592 152 H VAL 72 HN VAL 72 -10.806 -0.063 -1.071 153 HA VAL 72 HA VAL 72 -9.521 -2.603 -0.400 154 HB VAL 72 HB VAL 72 -10.940 -0.573 1.378 155 1HG1 VAL 72 HG11 VAL 72 -9.353 -3.118 2.080 156 2HG1 VAL 72 HG12 VAL 72 -9.821 -1.832 3.253 157 3HG1 VAL 72 HG13 VAL 72 -11.102 -2.779 2.427 158 1HG2 VAL 72 HG22 VAL 72 -8.781 0.280 0.473 159 2HG2 VAL 72 HG23 VAL 72 -8.715 -0.049 2.263 160 3HG2 VAL 72 HG21 VAL 72 -7.945 -1.180 1.105 161 H ARG 73 HN ARG 73 -10.664 -4.464 0.079 162 HA ARG 73 HA ARG 73 -13.611 -4.220 -0.118 163 1HB ARG 73 HB1 ARG 73 -11.768 -5.856 -1.705 164 2HB ARG 73 HB2 ARG 73 -12.799 -6.884 -0.779 165 1HG ARG 73 HG1 ARG 73 -13.960 -6.465 -2.877 166 2HG ARG 73 HG2 ARG 73 -14.805 -5.403 -1.748 167 1HD ARG 73 HD1 ARG 73 -12.357 -4.366 -3.328 168 2HD ARG 73 HD2 ARG 73 -13.927 -4.571 -4.186 169 HE ARG 73 HE ARG 73 -13.460 -2.792 -1.737 170 1HH1 ARG 73 HH22 ARG 73 -15.833 -4.312 -3.773 171 2HH1 ARG 73 HH21 ARG 73 -17.090 -3.227 -3.282 172 1HH2 ARG 73 HH12 ARG 73 -14.962 -1.077 -1.500 173 2HH2 ARG 73 HH11 ARG 73 -16.596 -1.397 -1.968 174 H ASN 74 HN ASN 74 -14.528 -6.400 0.909 175 HA ASN 74 HA ASN 74 -13.551 -6.207 3.610 176 1HB ASN 74 HB1 ASN 74 -15.377 -8.124 3.934 177 2HB ASN 74 HB2 ASN 74 -15.790 -6.392 3.856 178 1HD2 ASN 74 HD21 ASN 74 -16.578 -8.848 0.566 179 2HD2 ASN 74 HD22 ASN 74 -15.277 -9.242 1.634 180 H GLY 75 HN GLY 75 -11.752 -7.295 4.170 181 1HA GLY 75 HA2 GLY 75 -11.129 -9.583 4.711 182 2HA GLY 75 HA1 GLY 75 -11.391 -9.986 2.979 183 H MET 76 HN MET 76 -10.393 -7.195 2.231 184 HA MET 76 HA MET 76 -7.726 -8.088 1.973 185 1HB MET 76 HB1 MET 76 -8.863 -5.371 1.103 186 2HB MET 76 HB2 MET 76 -7.408 -5.879 0.733 187 1HG MET 76 HG1 MET 76 -8.322 -6.560 -1.253 188 2HG MET 76 HG2 MET 76 -8.035 -8.079 -0.348 189 1HE MET 76 HE2 MET 76 -10.077 -7.905 -2.842 190 2HE MET 76 HE3 MET 76 -9.579 -9.435 -2.043 191 3HE MET 76 HE1 MET 76 -11.317 -9.059 -2.252 192 H SER 77 HN SER 77 -5.816 -7.035 2.653 193 HA SER 77 HA SER 77 -5.855 -4.597 4.204 194 1HB SER 77 HB1 SER 77 -5.221 -7.213 5.489 195 2HB SER 77 HB2 SER 77 -4.921 -5.628 6.252 196 HG SER 77 HG1 SER 77 -7.516 -5.933 5.411 197 H LEU 78 HN LEU 78 -4.056 -3.936 3.793 198 HA LEU 78 HA LEU 78 -2.327 -3.583 2.275 199 1HB LEU 78 HB1 LEU 78 -1.831 -4.848 4.946 200 2HB LEU 78 HB2 LEU 78 -0.442 -4.854 3.858 201 HG LEU 78 HG LEU 78 -0.195 -2.933 5.142 202 1HD1 LEU 78 HD21 LEU 78 0.134 -3.005 2.419 203 2HD1 LEU 78 HD22 LEU 78 -1.086 -1.736 2.515 204 3HD1 LEU 78 HD23 LEU 78 0.250 -1.357 3.467 205 1HD2 LEU 78 HD12 LEU 78 -2.761 -2.044 3.717 206 2HD2 LEU 78 HD13 LEU 78 -2.536 -2.229 5.498 207 3HD2 LEU 78 HD11 LEU 78 -1.645 -0.929 4.480 208 H HIS 79 HN HSP 79 -1.652 -6.840 3.508 209 HA HIS 79 HA HSP 79 -0.071 -7.474 1.253 210 1HB HIS 79 HB1 HSP 79 -1.217 -8.947 3.655 211 2HB HIS 79 HB2 HSP 79 -1.069 -9.994 2.230 212 HD1 HIS 79 HD1 HSP 79 0.588 -10.543 4.680 213 HD2 HIS 79 HD2 HSP 79 2.136 -8.080 1.726 214 HE1 HIS 79 HE1 HSP 79 3.131 -10.369 4.817 215 HE2 HIS 79 HE2 HSP 79 3.910 -9.282 2.809 216 H ASP 80 HN ASP 80 -3.340 -8.765 2.196 217 HA ASP 80 HA ASP 80 -3.677 -9.795 -0.429 218 1HB ASP 80 HB1 ASP 80 -5.808 -9.392 1.730 219 2HB ASP 80 HB2 ASP 80 -5.864 -10.528 0.305 220 H CYS 81 HN CYS 81 -3.844 -6.644 0.770 221 HA CYS 81 HA CYS 81 -6.072 -5.905 -0.991 222 1HB CYS 81 HB1 CYS 81 -5.449 -5.114 1.612 223 2HB CYS 81 HB2 CYS 81 -4.575 -3.928 0.740 224 HG1 CYS 81 HG1 CYS 81 -6.263 -3.196 -1.112 225 H LEU 82 HN LEU 82 -2.647 -5.882 -0.684 226 HA LEU 82 HA LEU 82 -2.246 -4.081 -2.972 227 1HB LEU 82 HB1 LEU 82 -0.481 -5.647 -0.967 228 2HB LEU 82 HB2 LEU 82 0.252 -4.908 -2.288 229 HG LEU 82 HG LEU 82 -0.511 -3.896 0.248 230 1HD1 LEU 82 HD13 LEU 82 0.301 -2.223 -2.269 231 2HD1 LEU 82 HD11 LEU 82 0.460 -1.635 -0.562 232 3HD1 LEU 82 HD12 LEU 82 1.486 -3.001 -1.169 233 1HD2 LEU 82 HD23 LEU 82 -2.293 -2.562 -1.730 234 2HD2 LEU 82 HD21 LEU 82 -2.668 -3.397 -0.164 235 3HD2 LEU 82 HD22 LEU 82 -1.790 -1.846 -0.125 236 H MET 83 HN MET 83 -1.826 -7.389 -1.910 237 HA MET 83 HA MET 83 -0.533 -8.636 -3.990 238 1HB MET 83 HB1 MET 83 -1.529 -9.788 -2.007 239 2HB MET 83 HB2 MET 83 -3.142 -9.250 -2.467 240 1HG MET 83 HG1 MET 83 -3.353 -10.590 -4.317 241 2HG MET 83 HG2 MET 83 -1.617 -10.973 -4.381 242 1HE MET 83 HE1 MET 83 -0.379 -12.668 -2.851 243 2HE MET 83 HE2 MET 83 -0.715 -11.691 -1.381 244 3HE MET 83 HE3 MET 83 -1.038 -13.451 -1.379 245 H LYS 84 HN LYS 84 -3.865 -7.260 -3.902 246 HA LYS 84 HA LYS 84 -4.882 -7.766 -6.436 247 1HB LYS 84 HB1 LYS 84 -5.600 -6.616 -4.273 248 2HB LYS 84 HB2 LYS 84 -4.511 -5.314 -4.645 249 1HG LYS 84 HG1 LYS 84 -5.859 -4.712 -6.587 250 2HG LYS 84 HG2 LYS 84 -6.682 -6.280 -6.608 251 1HD LYS 84 HD1 LYS 84 -7.416 -5.708 -4.193 252 2HD LYS 84 HD2 LYS 84 -6.801 -4.192 -4.369 253 1HE LYS 84 HE1 LYS 84 -8.443 -3.561 -6.243 254 2HE LYS 84 HE2 LYS 84 -8.915 -5.299 -6.432 255 1HZ LYS 84 HZ2 LYS 84 -9.815 -5.250 -4.216 256 2HZ LYS 84 HZ3 LYS 84 -9.409 -3.616 -4.030 257 3HZ LYS 84 HZ1 LYS 84 -10.548 -4.083 -5.212 258 H ALA 85 HN ALA 85 -2.997 -4.918 -5.335 259 HA ALA 85 HA ALA 85 -2.823 -3.754 -7.909 260 1HB ALA 85 HB2 ALA 85 -2.359 -2.779 -5.462 261 2HB ALA 85 HB3 ALA 85 -0.770 -3.663 -5.515 262 3HB ALA 85 HB1 ALA 85 -1.075 -2.331 -6.673 263 H LEU 86 HN LEU 86 -0.497 -5.829 -6.135 264 HA LEU 86 HA LEU 86 1.526 -5.491 -8.221 265 1HB LEU 86 HB1 LEU 86 1.284 -7.449 -5.878 266 2HB LEU 86 HB2 LEU 86 2.690 -7.161 -6.683 267 HG LEU 86 HG LEU 86 1.083 -4.804 -5.434 268 1HD1 LEU 86 HD22 LEU 86 0.845 -6.283 -3.861 269 2HD1 LEU 86 HD23 LEU 86 2.619 -6.637 -3.735 270 3HD1 LEU 86 HD21 LEU 86 1.927 -4.982 -3.312 271 1HD2 LEU 86 HD13 LEU 86 2.898 -4.175 -6.879 272 2HD2 LEU 86 HD11 LEU 86 3.001 -3.543 -5.214 273 3HD2 LEU 86 HD12 LEU 86 4.068 -4.945 -5.723 274 H LYS 87 HN LYS 87 -0.744 -7.859 -7.113 275 HA LYS 87 HA LYS 87 -0.234 -9.786 -8.804 276 1HB LYS 87 HB1 LYS 87 -2.849 -8.769 -7.749 277 2HB LYS 87 HB2 LYS 87 -3.176 -9.015 -9.294 278 1HG LYS 87 HG1 LYS 87 -1.701 -11.314 -7.906 279 2HG LYS 87 HG2 LYS 87 -3.328 -10.973 -7.403 280 1HD LYS 87 HD1 LYS 87 -4.119 -12.156 -9.262 281 2HD LYS 87 HD2 LYS 87 -3.350 -10.953 -10.327 282 1HE LYS 87 HE1 LYS 87 -1.940 -13.456 -9.187 283 2HE LYS 87 HE2 LYS 87 -2.586 -13.260 -10.866 284 1HZ LYS 87 HZ2 LYS 87 -1.120 -11.182 -10.893 285 2HZ LYS 87 HZ3 LYS 87 -0.325 -11.889 -9.579 286 3HZ LYS 87 HZ1 LYS 87 -0.403 -12.718 -11.063 287 H VAL 88 HN VAL 88 -2.271 -7.123 -9.770 288 HA VAL 88 HA VAL 88 -2.480 -7.372 -12.423 289 HB VAL 88 HB VAL 88 -1.525 -4.744 -11.086 290 1HG1 VAL 88 HG11 VAL 88 -3.183 -5.065 -13.606 291 2HG1 VAL 88 HG12 VAL 88 -2.819 -3.530 -12.702 292 3HG1 VAL 88 HG13 VAL 88 -1.466 -4.429 -13.436 293 1HG2 VAL 88 HG21 VAL 88 -4.324 -5.916 -11.149 294 2HG2 VAL 88 HG22 VAL 88 -3.300 -5.380 -9.746 295 3HG2 VAL 88 HG23 VAL 88 -3.937 -4.157 -10.854 296 H ARG 89 HN ARG 89 0.390 -6.331 -10.695 297 HA ARG 89 HA ARG 89 1.804 -5.663 -13.109 298 1HB ARG 89 HB1 ARG 89 2.668 -5.741 -10.165 299 2HB ARG 89 HB2 ARG 89 3.520 -4.906 -11.439 300 1HG ARG 89 HG1 ARG 89 0.566 -4.220 -11.101 301 2HG ARG 89 HG2 ARG 89 1.442 -3.935 -9.708 302 1HD ARG 89 HD1 ARG 89 3.014 -2.505 -11.539 303 2HD ARG 89 HD2 ARG 89 1.677 -2.951 -12.692 304 HE ARG 89 HE ARG 89 0.131 -1.810 -10.904 305 1HH1 ARG 89 HH22 ARG 89 2.534 -0.921 -13.085 306 2HH1 ARG 89 HH21 ARG 89 2.026 0.737 -13.132 307 1HH2 ARG 89 HH12 ARG 89 -0.068 0.481 -10.323 308 2HH2 ARG 89 HH11 ARG 89 0.476 1.512 -11.591 309 H GLY 90 HN GLY 90 1.940 -8.138 -10.525 310 1HA GLY 90 HA2 GLY 90 2.585 -10.337 -11.042 311 2HA GLY 90 HA1 GLY 90 3.714 -9.750 -12.303 312 H LEU 91 HN LEU 91 3.164 -8.309 -9.064 313 HA LEU 91 HA LEU 91 6.050 -8.758 -8.574 314 1HB LEU 91 HB1 LEU 91 4.122 -6.535 -7.723 315 2HB LEU 91 HB2 LEU 91 5.691 -6.792 -6.937 316 HG LEU 91 HG LEU 91 4.942 -5.610 -9.597 317 1HD1 LEU 91 HD23 LEU 91 5.910 -4.253 -7.772 318 2HD1 LEU 91 HD21 LEU 91 7.419 -5.243 -7.834 319 3HD1 LEU 91 HD22 LEU 91 6.933 -4.244 -9.259 320 1HD2 LEU 91 HD11 LEU 91 7.394 -7.419 -9.451 321 2HD2 LEU 91 HD12 LEU 91 5.963 -7.534 -10.564 322 3HD2 LEU 91 HD13 LEU 91 7.092 -6.146 -10.704 323 H GLN 92 HN GLN 92 6.604 -8.832 -6.204 324 HA GLN 92 HA GLN 92 4.579 -10.495 -4.817 325 1HB GLN 92 HB1 GLN 92 7.620 -10.450 -4.665 326 2HB GLN 92 HB2 GLN 92 6.631 -11.214 -3.449 327 1HG GLN 92 HG1 GLN 92 5.591 -12.307 -5.880 328 2HG GLN 92 HG2 GLN 92 7.226 -11.967 -6.355 329 1HE2 GLN 92 HE21 GLN 92 6.918 -15.050 -3.687 330 2HE2 GLN 92 HE22 GLN 92 5.589 -14.032 -3.784 331 HA PRO 93 HA PRO 93 5.011 -7.162 -2.010 332 1HB PRO 93 HB1 PRO 93 2.997 -7.898 -0.296 333 2HB PRO 93 HB2 PRO 93 2.740 -6.989 -1.756 334 1HG PRO 93 HG1 PRO 93 2.181 -9.859 -1.229 335 2HG PRO 93 HG2 PRO 93 1.370 -8.762 -2.323 336 1HD PRO 93 HD1 PRO 93 3.165 -10.712 -3.121 337 2HD PRO 93 HD2 PRO 93 2.883 -9.256 -4.046 338 H GLU 94 HN GLU 94 5.139 -10.619 -1.396 339 HA GLU 94 HA GLU 94 5.224 -10.495 1.376 340 1HB GLU 94 HB1 GLU 94 6.653 -12.654 -0.257 341 2HB GLU 94 HB2 GLU 94 6.063 -12.787 1.405 342 1HG GLU 94 HG1 GLU 94 4.271 -13.832 0.445 343 2HG GLU 94 HG2 GLU 94 3.672 -12.142 0.193 344 H CYS 95 HN CYS 95 7.706 -9.759 -0.999 345 HA CYS 95 HA CYS 95 9.783 -10.012 1.093 346 1HB CYS 95 HB1 CYS 95 9.913 -9.874 -1.959 347 2HB CYS 95 HB2 CYS 95 11.335 -9.868 -0.893 348 HG1 CYS 95 HG1 CYS 95 10.717 -12.150 0.341 349 H CYS 96 HN CYS 96 7.699 -7.736 0.359 350 HA CYS 96 HA CYS 96 9.743 -5.609 0.072 351 1HB CYS 96 HB1 CYS 96 6.805 -5.662 -0.759 352 2HB CYS 96 HB2 CYS 96 7.899 -4.321 -0.960 353 HG1 CYS 96 HG1 CYS 96 7.516 -6.892 -2.764 354 H ALA 97 HN ALA 97 8.811 -3.452 0.845 355 HA ALA 97 HA ALA 97 7.296 -3.826 3.352 356 1HB ALA 97 HB3 ALA 97 9.571 -2.974 3.984 357 2HB ALA 97 HB1 ALA 97 9.301 -1.569 2.852 358 3HB ALA 97 HB2 ALA 97 8.262 -1.777 4.279 359 H VAL 98 HN VAL 98 5.451 -2.667 3.384 360 HA VAL 98 HA VAL 98 4.977 -0.833 1.182 361 HB VAL 98 HB VAL 98 2.819 -0.711 3.150 362 1HG1 VAL 98 HG12 VAL 98 2.655 -0.339 0.664 363 2HG1 VAL 98 HG13 VAL 98 2.565 -2.163 0.530 364 3HG1 VAL 98 HG11 VAL 98 1.358 -1.190 1.484 365 1HG2 VAL 98 HG23 VAL 98 3.799 -2.776 4.043 366 2HG2 VAL 98 HG21 VAL 98 2.158 -2.772 3.690 367 3HG2 VAL 98 HG22 VAL 98 3.324 -3.568 2.442 368 H PHE 99 HN PHE 99 3.697 1.220 1.902 369 HA PHE 99 HA PHE 99 4.422 2.246 4.404 370 1HB PHE 99 HB1 PHE 99 5.684 3.338 1.715 371 2HB PHE 99 HB2 PHE 99 5.485 4.393 3.046 372 HD1 PHE 99 HD1 PHE 99 6.998 1.321 1.592 373 HD2 PHE 99 HD2 PHE 99 7.311 3.912 5.017 374 HE1 PHE 99 HE1 PHE 99 9.313 0.671 1.949 375 HE2 PHE 99 HE2 PHE 99 9.576 3.279 5.283 376 HZ PHE 99 HZ PHE 99 10.682 2.086 3.429 377 H ARG 100 HN ARG 100 3.731 4.663 4.518 378 HA ARG 100 HA ARG 100 1.513 5.302 2.585 379 1HB ARG 100 HB1 ARG 100 0.557 4.824 4.563 380 2HB ARG 100 HB2 ARG 100 1.956 5.556 5.479 381 1HG ARG 100 HG1 ARG 100 1.627 7.670 4.993 382 2HG ARG 100 HG2 ARG 100 0.328 7.359 3.814 383 1HD ARG 100 HD1 ARG 100 -0.948 6.159 5.769 384 2HD ARG 100 HD2 ARG 100 0.233 6.803 6.848 385 HE ARG 100 HE ARG 100 -1.957 8.345 6.210 386 1HH1 ARG 100 HH22 ARG 100 1.358 8.790 6.448 387 2HH1 ARG 100 HH21 ARG 100 1.145 10.491 6.768 388 1HH2 ARG 100 HH12 ARG 100 -2.291 10.492 5.955 389 2HH2 ARG 100 HH11 ARG 100 -0.915 11.486 6.399 390 H LEU 101 HN LEU 101 1.861 7.222 1.600 391 HA LEU 101 HA LEU 101 4.558 7.869 1.423 392 1HB LEU 101 HB1 LEU 101 2.059 9.269 0.213 393 2HB LEU 101 HB2 LEU 101 3.730 9.733 -0.232 394 HG LEU 101 HG LEU 101 2.399 7.050 -0.795 395 1HD1 LEU 101 HD23 LEU 101 1.985 9.053 -2.342 396 2HD1 LEU 101 HD21 LEU 101 3.739 8.977 -2.743 397 3HD1 LEU 101 HD22 LEU 101 2.690 7.551 -3.084 398 1HD2 LEU 101 HD11 LEU 101 5.329 7.768 -0.713 399 2HD2 LEU 101 HD12 LEU 101 4.471 6.226 -0.306 400 3HD2 LEU 101 HD13 LEU 101 4.735 6.765 -2.047 401 H LEU 102 HN LEU 102 4.973 10.493 1.011 402 HA LEU 102 HA LEU 102 5.230 11.530 3.659 403 1HB LEU 102 HB1 LEU 102 6.179 13.428 2.362 404 2HB LEU 102 HB2 LEU 102 7.053 11.944 2.843 405 HG LEU 102 HG LEU 102 7.461 12.670 0.540 406 1HD1 LEU 102 HD21 LEU 102 6.983 9.994 1.404 407 2HD1 LEU 102 HD22 LEU 102 6.649 10.194 -0.389 408 3HD1 LEU 102 HD23 LEU 102 8.221 10.683 0.308 409 1HD2 LEU 102 HD12 LEU 102 4.516 12.218 0.091 410 2HD2 LEU 102 HD13 LEU 102 5.487 13.664 -0.209 411 3HD2 LEU 102 HD11 LEU 102 5.764 12.201 -1.246 412 H HIS 103 HN HSP 103 2.656 11.610 3.966 413 HA HIS 103 HA HSP 103 1.645 14.067 2.725 414 1HB HIS 103 HB1 HSP 103 0.318 11.979 4.488 415 2HB HIS 103 HB2 HSP 103 -0.476 13.484 3.903 416 HD1 HIS 103 HD1 HSP 103 -1.934 11.169 2.974 417 HD2 HIS 103 HD2 HSP 103 1.449 12.543 0.870 418 HE1 HIS 103 HE1 HSP 103 -2.158 10.406 0.578 419 HE2 HIS 103 HE2 HSP 103 -0.145 11.276 -0.682 420 H GLU 104 HN GLU 104 3.435 13.049 5.480 421 HA GLU 104 HA GLU 104 2.993 15.729 6.607 422 1HB GLU 104 HB1 GLU 104 3.174 13.208 8.343 423 2HB GLU 104 HB2 GLU 104 3.046 14.877 8.909 424 1HG GLU 104 HG1 GLU 104 0.846 14.131 9.181 425 2HG GLU 104 HG2 GLU 104 0.771 15.042 7.620 426 H HIS 105 HN HSP 105 5.030 14.328 4.833 427 HA HIS 105 HA HSP 105 7.309 14.817 6.583 428 1HB HIS 105 HB1 HSP 105 7.738 12.441 4.844 429 2HB HIS 105 HB2 HSP 105 8.336 12.790 6.496 430 HD1 HIS 105 HD1 HSP 105 6.093 12.694 8.294 431 HD2 HIS 105 HD2 HSP 105 6.084 10.293 4.859 432 HE1 HIS 105 HE1 HSP 105 4.561 10.728 8.752 433 HE2 HIS 105 HE2 HSP 105 4.523 9.355 6.632 434 H LYS 106 HN LYS 106 9.347 14.289 4.782 435 HA LYS 106 HA LYS 106 8.524 15.816 2.401 436 1HB LYS 106 HB1 LYS 106 10.804 16.149 4.288 437 2HB LYS 106 HB2 LYS 106 11.105 16.400 2.545 438 1HG LYS 106 HG1 LYS 106 8.899 17.771 4.232 439 2HG LYS 106 HG2 LYS 106 10.495 18.466 3.938 440 1HD LYS 106 HD1 LYS 106 9.904 19.269 1.901 441 2HD LYS 106 HD2 LYS 106 9.333 17.692 1.348 442 1HE LYS 106 HE1 LYS 106 7.635 19.468 3.228 443 2HE LYS 106 HE2 LYS 106 7.631 19.687 1.433 444 1HZ LYS 106 HZ2 LYS 106 6.999 17.400 1.183 445 2HZ LYS 106 HZ3 LYS 106 6.980 17.168 2.865 446 3HZ LYS 106 HZ1 LYS 106 5.882 18.244 2.147 447 H GLY 107 HN GLY 107 11.273 13.933 3.538 448 1HA GLY 107 HA2 GLY 107 11.118 12.348 1.016 449 2HA GLY 107 HA1 GLY 107 12.607 12.965 1.795 450 H LYS 108 HN LYS 108 9.635 11.358 3.151 451 HA LYS 108 HA LYS 108 11.151 9.016 3.875 452 1HB LYS 108 HB1 LYS 108 10.182 10.942 5.992 453 2HB LYS 108 HB2 LYS 108 10.458 9.190 6.253 454 1HG LYS 108 HG1 LYS 108 12.838 9.779 5.108 455 2HG LYS 108 HG2 LYS 108 12.483 11.381 5.777 456 1HD LYS 108 HD1 LYS 108 12.107 10.074 8.051 457 2HD LYS 108 HD2 LYS 108 12.605 8.601 7.186 458 1HE LYS 108 HE1 LYS 108 14.862 9.619 6.719 459 2HE LYS 108 HE2 LYS 108 14.355 11.121 7.593 460 1HZ LYS 108 HZ1 LYS 108 13.998 9.792 9.554 461 2HZ LYS 108 HZ2 LYS 108 14.474 8.384 8.735 462 3HZ LYS 108 HZ3 LYS 108 15.593 9.635 8.992 463 H LYS 109 HN LYS 109 9.701 7.341 3.946 464 HA LYS 109 HA LYS 109 6.833 7.974 3.680 465 1HB LYS 109 HB1 LYS 109 8.635 5.900 2.692 466 2HB LYS 109 HB2 LYS 109 7.465 5.298 3.123 467 1HG LYS 109 HG1 LYS 109 6.506 7.504 1.396 468 2HG LYS 109 HG2 LYS 109 8.223 7.705 1.235 469 1HD LYS 109 HD1 LYS 109 7.206 4.920 0.758 470 2HD LYS 109 HD2 LYS 109 6.698 6.078 -0.423 471 1HE LYS 109 HE1 LYS 109 9.655 5.873 0.520 472 2HE LYS 109 HE2 LYS 109 9.009 4.701 -0.701 473 1HZ LYS 109 HZ3 LYS 109 8.377 6.607 -2.061 474 2HZ LYS 109 HZ1 LYS 109 9.046 7.666 -0.920 475 3HZ LYS 109 HZ2 LYS 109 10.057 6.572 -1.747 476 H ALA 110 HN ALA 110 5.476 6.728 4.966 477 HA ALA 110 HA ALA 110 6.617 6.191 7.655 478 1HB ALA 110 HB1 ALA 110 3.686 6.630 6.924 479 2HB ALA 110 HB2 ALA 110 4.301 6.048 8.530 480 3HB ALA 110 HB3 ALA 110 4.718 7.699 7.960 481 H ARG 111 HN ARG 111 6.808 3.965 8.179 482 HA ARG 111 HA ARG 111 6.206 2.317 5.898 483 1HB ARG 111 HB1 ARG 111 8.468 2.522 6.891 484 2HB ARG 111 HB2 ARG 111 7.800 1.911 8.441 485 1HG ARG 111 HG1 ARG 111 7.191 0.149 6.126 486 2HG ARG 111 HG2 ARG 111 8.900 0.445 6.333 487 1HD ARG 111 HD1 ARG 111 8.761 -0.241 8.755 488 2HD ARG 111 HD2 ARG 111 7.019 -0.382 8.627 489 HE ARG 111 HE ARG 111 7.316 -2.323 7.016 490 1HH1 ARG 111 HH22 ARG 111 10.273 -0.598 7.268 491 2HH1 ARG 111 HH21 ARG 111 11.185 -1.820 6.431 492 1HH2 ARG 111 HH12 ARG 111 8.630 -4.236 6.601 493 2HH2 ARG 111 HH11 ARG 111 10.235 -3.897 6.054 494 H LEU 112 HN LEU 112 4.919 0.867 5.941 495 HA LEU 112 HA LEU 112 2.997 0.520 7.993 496 1HB LEU 112 HB1 LEU 112 3.330 -0.113 5.024 497 2HB LEU 112 HB2 LEU 112 1.954 -0.824 5.900 498 HG LEU 112 HG LEU 112 1.190 1.336 6.582 499 1HD1 LEU 112 HD13 LEU 112 2.563 2.339 7.482 500 2HD1 LEU 112 HD11 LEU 112 3.409 2.772 5.944 501 3HD1 LEU 112 HD12 LEU 112 1.707 3.382 6.317 502 1HD2 LEU 112 HD21 LEU 112 1.728 1.161 3.566 503 2HD2 LEU 112 HD22 LEU 112 0.266 0.565 4.418 504 3HD2 LEU 112 HD23 LEU 112 0.563 2.339 4.316 505 H ASP 113 HN ASP 113 1.802 -1.457 8.174 506 HA ASP 113 HA ASP 113 3.628 -3.739 8.460 507 1HB ASP 113 HB1 ASP 113 2.014 -3.085 10.392 508 2HB ASP 113 HB2 ASP 113 0.684 -3.664 9.312 509 H TRP 114 HN TRP 114 2.962 -5.747 7.300 510 HA TRP 114 HA TRP 114 1.473 -5.352 5.236 511 1HB TRP 114 HB1 TRP 114 3.094 -7.609 6.543 512 2HB TRP 114 HB2 TRP 114 1.917 -8.229 5.374 513 HD1 TRP 114 HD1 TRP 114 5.170 -8.248 4.753 514 HE1 TRP 114 HE1 TRP 114 6.054 -6.916 2.670 515 HE3 TRP 114 HE3 TRP 114 0.993 -6.312 3.781 516 HZ2 TRP 114 HZ2 TRP 114 4.502 -5.786 0.363 517 HZ3 TRP 114 HZ3 TRP 114 0.467 -5.200 1.574 518 HH2 TRP 114 HH2 TRP 114 2.114 -5.204 -0.154 519 H ASN 115 HN ASN 115 0.287 -5.927 8.226 520 HA ASN 115 HA ASN 115 -2.269 -6.665 6.912 521 1HB ASN 115 HB1 ASN 115 -0.875 -7.737 9.250 522 2HB ASN 115 HB2 ASN 115 -2.247 -6.843 9.863 523 1HD2 ASN 115 HD21 ASN 115 -4.642 -9.131 8.302 524 2HD2 ASN 115 HD22 ASN 115 -4.437 -7.528 8.922 525 H THR 116 HN THR 116 -1.072 -4.164 6.905 526 HA THR 116 HA THR 116 -1.569 -2.893 9.185 527 HB THR 116 HB THR 116 0.126 -2.297 7.195 528 HG1 THR 116 HG1 THR 116 -0.547 -0.687 9.386 529 1HG2 THR 116 HG21 THR 116 -2.002 -0.573 6.530 530 2HG2 THR 116 HG22 THR 116 -1.190 0.387 7.810 531 3HG2 THR 116 HG23 THR 116 -0.262 -0.122 6.351 532 H ASP 117 HN ASP 117 -3.790 -3.284 6.626 533 HA ASP 117 HA ASP 117 -6.143 -3.147 7.498 534 1HB ASP 117 HB1 ASP 117 -5.418 -1.560 9.258 535 2HB ASP 117 HB2 ASP 117 -5.369 -0.352 7.962 536 H ALA 118 HN ALA 118 -4.149 -1.206 5.617 537 HA ALA 118 HA ALA 118 -4.447 0.238 3.880 538 1HB ALA 118 HB2 ALA 118 -4.791 -2.135 2.882 539 2HB ALA 118 HB3 ALA 118 -6.551 -1.874 3.020 540 3HB ALA 118 HB1 ALA 118 -5.563 -0.801 1.942 541 H ALA 119 HN ALA 119 -7.347 -0.697 5.538 542 HA ALA 119 HA ALA 119 -9.037 1.385 4.395 543 1HB ALA 119 HB3 ALA 119 -8.709 -0.959 6.448 544 2HB ALA 119 HB1 ALA 119 -10.145 0.164 6.697 545 3HB ALA 119 HB2 ALA 119 -9.962 -0.809 5.184 546 H SER 120 HN SER 120 -6.619 1.211 6.931 547 HA SER 120 HA SER 120 -7.819 3.577 8.235 548 1HB SER 120 HB1 SER 120 -5.280 2.053 8.950 549 2HB SER 120 HB2 SER 120 -5.959 3.453 9.828 550 HG SER 120 HG1 SER 120 -7.484 1.101 9.361 551 H LEU 121 HN LEU 121 -5.864 2.729 5.605 552 HA LEU 121 HA LEU 121 -4.282 5.246 5.761 553 1HB LEU 121 HB1 LEU 121 -3.970 2.869 3.844 554 2HB LEU 121 HB2 LEU 121 -2.888 4.217 3.996 555 HG LEU 121 HG LEU 121 -1.736 2.596 5.251 556 1HD1 LEU 121 HD22 LEU 121 -2.118 4.567 6.742 557 2HD1 LEU 121 HD23 LEU 121 -3.595 3.813 7.363 558 3HD1 LEU 121 HD21 LEU 121 -1.993 2.997 7.672 559 1HD2 LEU 121 HD13 LEU 121 -4.498 1.526 5.921 560 2HD2 LEU 121 HD11 LEU 121 -3.044 0.675 5.294 561 3HD2 LEU 121 HD12 LEU 121 -3.169 1.195 7.054 562 H ILE 122 HN ILE 122 -6.944 3.938 4.859 563 HA ILE 122 HA ILE 122 -7.445 4.483 2.337 564 HB ILE 122 HB ILE 122 -9.104 3.629 4.201 565 1HG1 ILE 122 HG11 ILE 122 -10.953 3.903 2.387 566 2HG1 ILE 122 HG12 ILE 122 -9.469 4.289 1.377 567 1HG2 ILE 122 HG21 ILE 122 -9.735 5.865 5.091 568 2HG2 ILE 122 HG22 ILE 122 -10.345 6.315 3.430 569 3HG2 ILE 122 HG23 ILE 122 -11.141 5.002 4.319 570 1HD1 ILE 122 HD2 ILE 122 -8.429 2.190 2.419 571 2HD1 ILE 122 HD3 ILE 122 -10.234 1.691 2.437 572 3HD1 ILE 122 HD1 ILE 122 -9.424 2.172 0.947 573 H GLY 123 HN GLY 123 -8.090 6.046 1.042 574 1HA GLY 123 HA2 GLY 123 -8.323 8.121 0.212 575 2HA GLY 123 HA1 GLY 123 -8.374 8.750 1.890 576 H GLU 124 HN GLU 124 -5.537 6.911 1.513 577 HA GLU 124 HA GLU 124 -4.016 9.427 1.206 578 1HB GLU 124 HB1 GLU 124 -3.076 6.829 2.445 579 2HB GLU 124 HB2 GLU 124 -2.301 8.426 2.522 580 1HG GLU 124 HG1 GLU 124 -5.154 8.091 3.627 581 2HG GLU 124 HG2 GLU 124 -3.823 7.341 4.501 582 H GLU 125 HN GLU 125 -1.541 7.996 0.936 583 HA GLU 125 HA GLU 125 -1.819 6.680 -1.694 584 1HB GLU 125 HB1 GLU 125 0.005 9.016 -1.118 585 2HB GLU 125 HB2 GLU 125 0.282 7.856 -2.429 586 1HG GLU 125 HG1 GLU 125 -1.300 8.518 -3.825 587 2HG GLU 125 HG2 GLU 125 -2.484 8.815 -2.533 588 H LEU 126 HN LEU 126 -0.767 4.825 -1.558 589 HA LEU 126 HA LEU 126 1.270 4.631 0.415 590 1HB LEU 126 HB1 LEU 126 -0.425 2.573 -1.096 591 2HB LEU 126 HB2 LEU 126 1.047 2.027 -0.325 592 HG LEU 126 HG LEU 126 0.053 3.386 1.798 593 1HD1 LEU 126 HD23 LEU 126 -2.409 2.848 0.271 594 2HD1 LEU 126 HD21 LEU 126 -2.321 2.940 2.078 595 3HD1 LEU 126 HD22 LEU 126 -1.777 4.344 1.116 596 1HD2 LEU 126 HD13 LEU 126 0.777 0.977 1.755 597 2HD2 LEU 126 HD11 LEU 126 -0.788 1.210 2.659 598 3HD2 LEU 126 HD12 LEU 126 -0.796 0.531 0.990 599 H GLN 127 HN GLN 127 3.008 2.812 -0.127 600 HA GLN 127 HA GLN 127 3.709 2.693 -2.884 601 1HB GLN 127 HB1 GLN 127 4.794 4.906 -2.282 602 2HB GLN 127 HB2 GLN 127 5.750 4.048 -1.045 603 1HG GLN 127 HG1 GLN 127 6.830 2.679 -2.850 604 2HG GLN 127 HG2 GLN 127 5.780 3.463 -4.092 605 1HE2 GLN 127 HE21 GLN 127 9.294 5.095 -3.432 606 2HE2 GLN 127 HE22 GLN 127 8.888 3.445 -3.210 607 H VAL 128 HN VAL 128 5.644 1.166 -3.120 608 HA VAL 128 HA VAL 128 5.936 -0.475 -0.673 609 HB VAL 128 HB VAL 128 5.702 -1.346 -3.588 610 1HG1 VAL 128 HG11 VAL 128 6.498 -2.991 -1.111 611 2HG1 VAL 128 HG12 VAL 128 6.022 -3.676 -2.710 612 3HG1 VAL 128 HG13 VAL 128 7.502 -2.687 -2.612 613 1HG2 VAL 128 HG23 VAL 128 3.535 -1.075 -2.370 614 2HG2 VAL 128 HG21 VAL 128 3.883 -2.746 -2.865 615 3HG2 VAL 128 HG22 VAL 128 4.123 -2.267 -1.112 616 H ASP 129 HN ASP 129 8.062 -1.387 -0.399 617 HA ASP 129 HA ASP 129 10.009 -0.738 -2.367 618 1HB ASP 129 HB1 ASP 129 9.658 1.247 -0.377 619 2HB ASP 129 HB2 ASP 129 11.008 0.259 0.286 620 H PHE 130 HN PHE 130 12.295 -1.135 -0.527 621 HA PHE 130 HA PHE 130 12.215 -3.917 -0.645 622 1HB PHE 130 HB1 PHE 130 14.376 -3.652 0.901 623 2HB PHE 130 HB2 PHE 130 14.413 -3.194 -0.824 624 HD1 PHE 130 HD1 PHE 130 13.668 -1.790 2.605 625 HD2 PHE 130 HD2 PHE 130 14.870 -0.913 -1.411 626 HE1 PHE 130 HE1 PHE 130 14.164 0.519 3.239 627 HE2 PHE 130 HE2 PHE 130 15.373 1.381 -0.751 628 HZ PHE 130 HZ PHE 130 15.022 2.112 1.573 629 H LEU 131 HN LEU 131 12.514 -5.421 1.157 630 HA LEU 131 HA LEU 131 10.533 -5.060 2.973 631 1HB LEU 131 HB1 LEU 131 11.763 -7.216 4.093 632 2HB LEU 131 HB2 LEU 131 10.772 -7.335 2.574 633 HG LEU 131 HG LEU 131 12.824 -7.149 1.211 634 1HD1 LEU 131 HD21 LEU 131 14.205 -7.008 3.953 635 2HD1 LEU 131 HD22 LEU 131 15.033 -7.681 2.499 636 3HD1 LEU 131 HD23 LEU 131 14.484 -5.992 2.456 637 1HD2 LEU 131 HD11 LEU 131 11.945 -9.360 1.785 638 2HD2 LEU 131 HD12 LEU 131 13.739 -9.340 1.619 639 3HD2 LEU 131 HD13 LEU 131 12.979 -9.396 3.262 640 H ASP 132 HN ASP 132 13.741 -4.415 3.168 641 HA ASP 132 HA ASP 132 14.469 -4.693 5.668 642 1HB ASP 132 HB1 ASP 132 15.197 -2.095 4.189 643 2HB ASP 132 HB2 ASP 132 16.068 -2.776 5.630 No H/Q in entry = 643 Start of MODEL 26 1 1H SER 55 HT2 SER 55 -13.660 7.565 2.730 2 2H SER 55 HT1 SER 55 -12.007 7.585 3.009 3 3H SER 55 HT3 SER 55 -12.740 8.900 2.201 4 HA SER 55 HA SER 55 -13.247 7.553 0.330 5 1HB SER 55 HB1 SER 55 -10.818 8.538 0.751 6 2HB SER 55 HB2 SER 55 -10.357 6.827 1.044 7 HG SER 55 HG1 SER 55 -11.492 8.027 -1.272 8 H ASN 56 HN ASN 56 -12.222 5.429 -0.767 9 HA ASN 56 HA ASN 56 -12.135 3.203 1.116 10 1HB ASN 56 HB1 ASN 56 -14.560 3.436 0.473 11 2HB ASN 56 HB2 ASN 56 -14.065 3.106 -1.233 12 1HD2 ASN 56 HD21 ASN 56 -13.930 -0.416 -0.461 13 2HD2 ASN 56 HD22 ASN 56 -13.941 0.832 -1.656 14 H THR 57 HN THR 57 -10.393 4.905 -0.665 15 HA THR 57 HA THR 57 -9.318 2.705 -2.268 16 HB THR 57 HB THR 57 -9.071 4.020 -4.280 17 HG1 THR 57 HG1 THR 57 -10.301 6.058 -2.717 18 1HG2 THR 57 HG23 THR 57 -11.406 2.991 -3.974 19 2HG2 THR 57 HG21 THR 57 -11.954 4.583 -3.310 20 3HG2 THR 57 HG22 THR 57 -11.374 4.471 -5.012 21 H ILE 58 HN ILE 58 -7.040 3.053 -2.738 22 HA ILE 58 HA ILE 58 -5.928 5.483 -1.696 23 HB ILE 58 HB ILE 58 -4.239 3.161 -0.865 24 1HG1 ILE 58 HG11 ILE 58 -5.506 3.008 1.389 25 2HG1 ILE 58 HG12 ILE 58 -6.931 3.519 0.491 26 1HG2 ILE 58 HG21 ILE 58 -4.999 5.829 0.405 27 2HG2 ILE 58 HG22 ILE 58 -4.053 4.572 1.263 28 3HG2 ILE 58 HG23 ILE 58 -3.402 5.270 -0.249 29 1HD1 ILE 58 HD1 ILE 58 -5.087 1.166 -0.367 30 2HD1 ILE 58 HD2 ILE 58 -6.439 0.957 0.782 31 3HD1 ILE 58 HD3 ILE 58 -6.789 1.483 -0.915 32 H ARG 59 HN ARG 59 -3.412 5.513 -2.400 33 HA ARG 59 HA ARG 59 -3.424 4.172 -5.020 34 1HB ARG 59 HB1 ARG 59 -2.004 6.682 -4.038 35 2HB ARG 59 HB2 ARG 59 -1.853 5.964 -5.661 36 1HG ARG 59 HG1 ARG 59 -3.417 7.476 -6.169 37 2HG ARG 59 HG2 ARG 59 -4.508 6.179 -5.746 38 1HD ARG 59 HD1 ARG 59 -3.856 7.714 -3.314 39 2HD ARG 59 HD2 ARG 59 -4.237 8.886 -4.635 40 HE ARG 59 HE ARG 59 -6.360 7.426 -5.017 41 1HH1 ARG 59 HH22 ARG 59 -5.088 8.682 -1.986 42 2HH1 ARG 59 HH21 ARG 59 -6.596 9.361 -1.616 43 1HH2 ARG 59 HH12 ARG 59 -8.306 7.125 -3.661 44 2HH2 ARG 59 HH11 ARG 59 -8.476 8.397 -2.535 45 H VAL 60 HN VAL 60 -1.221 3.653 -5.806 46 HA VAL 60 HA VAL 60 0.639 3.074 -3.595 47 HB VAL 60 HB VAL 60 0.097 0.941 -5.676 48 1HG1 VAL 60 HG12 VAL 60 2.254 0.841 -4.446 49 2HG1 VAL 60 HG13 VAL 60 1.352 0.795 -2.882 50 3HG1 VAL 60 HG11 VAL 60 1.167 -0.552 -4.076 51 1HG2 VAL 60 HG23 VAL 60 -1.260 1.085 -2.936 52 2HG2 VAL 60 HG21 VAL 60 -2.060 1.194 -4.554 53 3HG2 VAL 60 HG22 VAL 60 -1.239 -0.332 -4.058 54 H PHE 61 HN PHE 61 2.511 3.995 -4.178 55 HA PHE 61 HA PHE 61 3.031 4.424 -6.997 56 1HB PHE 61 HB1 PHE 61 4.322 5.270 -4.370 57 2HB PHE 61 HB2 PHE 61 5.295 5.337 -5.873 58 HD1 PHE 61 HD2 PHE 61 1.850 6.159 -4.489 59 HD2 PHE 61 HD1 PHE 61 4.978 7.373 -7.143 60 HE1 PHE 61 HE2 PHE 61 0.685 8.258 -4.904 61 HE2 PHE 61 HE1 PHE 61 3.818 9.504 -7.498 62 HZ PHE 61 HZ PHE 61 1.690 9.971 -6.332 63 H LEU 62 HN LEU 62 4.802 3.408 -8.200 64 HA LEU 62 HA LEU 62 5.218 0.869 -6.936 65 1HB LEU 62 HB1 LEU 62 5.699 1.719 -9.796 66 2HB LEU 62 HB2 LEU 62 6.327 0.188 -9.170 67 HG LEU 62 HG LEU 62 3.989 0.134 -10.333 68 1HD1 LEU 62 HD12 LEU 62 5.132 -1.811 -9.328 69 2HD1 LEU 62 HD13 LEU 62 4.491 -1.351 -7.702 70 3HD1 LEU 62 HD11 LEU 62 3.353 -1.820 -9.024 71 1HD2 LEU 62 HD23 LEU 62 2.948 1.895 -8.872 72 2HD2 LEU 62 HD21 LEU 62 2.071 0.324 -8.923 73 3HD2 LEU 62 HD22 LEU 62 3.075 0.733 -7.477 74 HA PRO 63 HA PRO 63 8.709 2.196 -4.556 75 1HB PRO 63 HB1 PRO 63 9.965 0.762 -6.869 76 2HB PRO 63 HB2 PRO 63 10.440 0.754 -5.174 77 1HG PRO 63 HG1 PRO 63 8.901 -1.197 -6.348 78 2HG PRO 63 HG2 PRO 63 8.741 -0.796 -4.654 79 1HD PRO 63 HD1 PRO 63 6.711 -0.544 -6.542 80 2HD PRO 63 HD2 PRO 63 6.612 0.029 -5.055 81 H ASN 64 HN ASN 64 7.616 4.319 -5.614 82 HA ASN 64 HA ASN 64 8.351 6.348 -6.001 83 1HB ASN 64 HB1 ASN 64 11.034 5.316 -7.074 84 2HB ASN 64 HB2 ASN 64 10.619 7.008 -6.681 85 1HD2 ASN 64 HD21 ASN 64 11.783 4.565 -3.649 86 2HD2 ASN 64 HD22 ASN 64 11.750 4.034 -5.296 87 H LYS 65 HN LYS 65 8.561 3.811 -8.439 88 HA LYS 65 HA LYS 65 8.859 5.662 -10.590 89 1HB LYS 65 HB1 LYS 65 8.228 2.685 -10.577 90 2HB LYS 65 HB2 LYS 65 8.351 3.668 -12.064 91 1HG LYS 65 HG1 LYS 65 10.529 3.141 -12.093 92 2HG LYS 65 HG2 LYS 65 10.715 4.383 -10.830 93 1HD LYS 65 HD1 LYS 65 10.067 2.276 -9.218 94 2HD LYS 65 HD2 LYS 65 10.711 1.351 -10.576 95 1HE LYS 65 HE1 LYS 65 12.911 2.303 -10.333 96 2HE LYS 65 HE2 LYS 65 12.284 3.725 -9.395 97 1HZ LYS 65 HZ1 LYS 65 11.671 2.264 -7.626 98 2HZ LYS 65 HZ2 LYS 65 12.281 0.921 -8.463 99 3HZ LYS 65 HZ3 LYS 65 13.335 2.162 -7.969 100 H GLN 66 HN GLN 66 6.346 3.155 -10.499 101 HA GLN 66 HA GLN 66 4.688 5.024 -11.759 102 1HB GLN 66 HB1 GLN 66 4.656 2.051 -11.354 103 2HB GLN 66 HB2 GLN 66 3.066 2.761 -11.513 104 1HG GLN 66 HG1 GLN 66 5.345 3.370 -13.492 105 2HG GLN 66 HG2 GLN 66 4.381 1.872 -13.606 106 1HE2 GLN 66 HE21 GLN 66 1.340 3.568 -14.619 107 2HE2 GLN 66 HE22 GLN 66 2.028 2.086 -14.069 108 H ARG 67 HN ARG 67 2.156 4.546 -11.294 109 HA ARG 67 HA ARG 67 1.669 4.579 -8.415 110 1HB ARG 67 HB1 ARG 67 0.123 6.500 -8.614 111 2HB ARG 67 HB2 ARG 67 1.831 6.902 -8.606 112 1HG ARG 67 HG1 ARG 67 0.542 6.450 -11.334 113 2HG ARG 67 HG2 ARG 67 -0.065 7.813 -10.423 114 1HD ARG 67 HD1 ARG 67 1.644 9.038 -11.262 115 2HD ARG 67 HD2 ARG 67 2.686 8.171 -10.055 116 HE ARG 67 HE ARG 67 2.198 7.027 -12.833 117 1HH1 ARG 67 HH22 ARG 67 4.199 9.128 -10.955 118 2HH1 ARG 67 HH21 ARG 67 5.478 9.082 -12.115 119 1HH2 ARG 67 HH12 ARG 67 4.143 6.362 -13.903 120 2HH2 ARG 67 HH11 ARG 67 5.431 7.527 -13.825 121 H THR 68 HN THR 68 -0.697 4.312 -8.033 122 HA THR 68 HA THR 68 -2.378 3.687 -10.195 123 HB THR 68 HB THR 68 -0.889 1.637 -10.366 124 HG1 THR 68 HG1 THR 68 -2.567 0.277 -10.498 125 1HG2 THR 68 HG21 THR 68 -0.353 1.386 -7.922 126 2HG2 THR 68 HG22 THR 68 -2.071 0.869 -7.637 127 3HG2 THR 68 HG23 THR 68 -0.987 -0.110 -8.690 128 H VAL 69 HN VAL 69 -4.417 2.425 -9.169 129 HA VAL 69 HA VAL 69 -4.693 3.480 -6.413 130 HB VAL 69 HB VAL 69 -5.964 4.992 -7.679 131 1HG1 VAL 69 HG13 VAL 69 -6.146 3.790 -9.836 132 2HG1 VAL 69 HG11 VAL 69 -7.290 2.602 -9.082 133 3HG1 VAL 69 HG12 VAL 69 -7.757 4.337 -9.249 134 1HG2 VAL 69 HG22 VAL 69 -6.947 4.225 -5.585 135 2HG2 VAL 69 HG23 VAL 69 -8.134 4.805 -6.810 136 3HG2 VAL 69 HG21 VAL 69 -7.954 3.040 -6.529 137 H VAL 70 HN VAL 70 -5.854 2.171 -5.017 138 HA VAL 70 HA VAL 70 -6.666 -0.455 -6.124 139 HB VAL 70 HB VAL 70 -5.832 -1.552 -4.094 140 1HG1 VAL 70 HG13 VAL 70 -3.659 -0.045 -5.639 141 2HG1 VAL 70 HG11 VAL 70 -3.394 -1.463 -4.556 142 3HG1 VAL 70 HG12 VAL 70 -4.388 -1.636 -6.069 143 1HG2 VAL 70 HG22 VAL 70 -5.827 0.348 -2.516 144 2HG2 VAL 70 HG23 VAL 70 -4.237 -0.484 -2.587 145 3HG2 VAL 70 HG21 VAL 70 -4.447 1.097 -3.428 146 H ASN 71 HN ASN 71 -8.205 -1.571 -4.618 147 HA ASN 71 HA ASN 71 -9.856 0.468 -3.227 148 1HB ASN 71 HB1 ASN 71 -10.718 -1.921 -4.946 149 2HB ASN 71 HB2 ASN 71 -11.803 -1.137 -3.722 150 1HD2 ASN 71 HD21 ASN 71 -10.791 0.989 -7.137 151 2HD2 ASN 71 HD22 ASN 71 -9.788 -0.327 -6.628 152 H VAL 72 HN VAL 72 -10.994 -0.398 -1.338 153 HA VAL 72 HA VAL 72 -9.645 -2.824 -0.285 154 HB VAL 72 HB VAL 72 -10.549 -0.412 1.342 155 1HG1 VAL 72 HG11 VAL 72 -8.785 -2.848 2.019 156 2HG1 VAL 72 HG12 VAL 72 -9.052 -1.419 3.085 157 3HG1 VAL 72 HG13 VAL 72 -10.441 -2.463 2.681 158 1HG2 VAL 72 HG21 VAL 72 -7.711 -1.073 0.396 159 2HG2 VAL 72 HG22 VAL 72 -8.701 0.369 -0.049 160 3HG2 VAL 72 HG23 VAL 72 -8.158 0.134 1.660 161 H ARG 73 HN ARG 73 -10.992 -4.258 0.855 162 HA ARG 73 HA ARG 73 -13.870 -3.549 0.797 163 1HB ARG 73 HB1 ARG 73 -12.929 -6.401 1.050 164 2HB ARG 73 HB2 ARG 73 -14.472 -5.775 0.487 165 1HG ARG 73 HG1 ARG 73 -11.772 -5.601 -1.019 166 2HG ARG 73 HG2 ARG 73 -13.055 -6.794 -1.333 167 1HD ARG 73 HD1 ARG 73 -14.609 -4.989 -2.055 168 2HD ARG 73 HD2 ARG 73 -13.357 -3.742 -1.660 169 HE ARG 73 HE ARG 73 -12.799 -5.954 -3.668 170 1HH1 ARG 73 HH22 ARG 73 -14.136 -2.807 -3.261 171 2HH1 ARG 73 HH21 ARG 73 -13.898 -2.387 -4.922 172 1HH2 ARG 73 HH12 ARG 73 -12.048 -5.269 -5.714 173 2HH2 ARG 73 HH11 ARG 73 -12.696 -3.785 -6.315 174 H ASN 74 HN ASN 74 -14.965 -5.020 2.683 175 HA ASN 74 HA ASN 74 -13.558 -4.135 5.022 176 1HB ASN 74 HB1 ASN 74 -16.099 -4.033 4.844 177 2HB ASN 74 HB2 ASN 74 -16.109 -5.850 4.935 178 1HD2 ASN 74 HD21 ASN 74 -16.547 -4.831 8.435 179 2HD2 ASN 74 HD22 ASN 74 -17.418 -5.200 6.985 180 H GLY 75 HN GLY 75 -12.469 -5.416 6.434 181 1HA GLY 75 HA2 GLY 75 -11.627 -7.355 7.303 182 2HA GLY 75 HA1 GLY 75 -12.433 -8.245 5.949 183 H MET 76 HN MET 76 -11.021 -5.871 4.418 184 HA MET 76 HA MET 76 -8.981 -7.575 3.489 185 1HB MET 76 HB1 MET 76 -9.735 -4.688 2.775 186 2HB MET 76 HB2 MET 76 -8.291 -5.302 2.164 187 1HG MET 76 HG1 MET 76 -10.109 -7.457 1.560 188 2HG MET 76 HG2 MET 76 -11.007 -6.006 1.253 189 1HE MET 76 HE2 MET 76 -10.734 -7.625 -1.139 190 2HE MET 76 HE3 MET 76 -9.300 -7.508 -2.205 191 3HE MET 76 HE1 MET 76 -9.225 -8.516 -0.735 192 H SER 77 HN SER 77 -6.716 -6.742 3.013 193 HA SER 77 HA SER 77 -5.551 -4.992 5.089 194 1HB SER 77 HB1 SER 77 -5.192 -8.002 4.800 195 2HB SER 77 HB2 SER 77 -3.776 -7.098 4.871 196 HG SER 77 HG1 SER 77 -5.969 -6.727 6.745 197 H LEU 78 HN LEU 78 -3.397 -4.619 4.691 198 HA LEU 78 HA LEU 78 -2.554 -3.956 2.245 199 1HB LEU 78 HB1 LEU 78 -1.217 -4.942 4.748 200 2HB LEU 78 HB2 LEU 78 -0.197 -4.833 3.281 201 HG LEU 78 HG LEU 78 -0.143 -2.815 4.745 202 1HD1 LEU 78 HD21 LEU 78 0.222 -2.976 2.102 203 2HD1 LEU 78 HD22 LEU 78 -1.265 -2.070 2.061 204 3HD1 LEU 78 HD23 LEU 78 -0.022 -1.291 3.022 205 1HD2 LEU 78 HD13 LEU 78 -2.783 -2.256 3.275 206 2HD2 LEU 78 HD11 LEU 78 -2.617 -2.453 5.056 207 3HD2 LEU 78 HD12 LEU 78 -1.804 -1.067 4.131 208 H HIS 79 HN HSP 79 -1.455 -6.964 3.643 209 HA HIS 79 HA HSP 79 -0.529 -7.881 1.309 210 1HB HIS 79 HB1 HSP 79 -0.790 -9.023 4.040 211 2HB HIS 79 HB2 HSP 79 -1.184 -10.288 2.933 212 HD1 HIS 79 HD1 HSP 79 1.028 -9.006 0.740 213 HD2 HIS 79 HD2 HSP 79 1.734 -10.179 4.692 214 HE1 HIS 79 HE1 HSP 79 3.550 -9.211 1.107 215 HE2 HIS 79 HE2 HSP 79 3.873 -10.196 3.348 216 H ASP 80 HN ASP 80 -3.852 -7.971 2.196 217 HA ASP 80 HA ASP 80 -4.354 -9.977 0.073 218 1HB ASP 80 HB1 ASP 80 -6.209 -8.729 2.177 219 2HB ASP 80 HB2 ASP 80 -6.655 -9.996 0.973 220 H CYS 81 HN CYS 81 -4.326 -6.694 0.913 221 HA CYS 81 HA CYS 81 -6.171 -5.823 -1.121 222 1HB CYS 81 HB1 CYS 81 -5.973 -4.761 1.115 223 2HB CYS 81 HB2 CYS 81 -4.387 -4.737 1.163 224 HG1 CYS 81 HG1 CYS 81 -6.649 -3.376 -1.085 225 H LEU 82 HN LEU 82 -2.752 -5.602 -0.435 226 HA LEU 82 HA LEU 82 -2.077 -4.308 -2.924 227 1HB LEU 82 HB1 LEU 82 -0.491 -5.737 -0.703 228 2HB LEU 82 HB2 LEU 82 0.316 -5.157 -2.015 229 HG LEU 82 HG LEU 82 -0.463 -3.902 0.399 230 1HD1 LEU 82 HD12 LEU 82 1.415 -2.991 -1.145 231 2HD1 LEU 82 HD13 LEU 82 0.147 -2.338 -2.238 232 3HD1 LEU 82 HD11 LEU 82 0.325 -1.658 -0.572 233 1HD2 LEU 82 HD23 LEU 82 -2.433 -2.898 -1.622 234 2HD2 LEU 82 HD21 LEU 82 -2.673 -3.545 0.037 235 3HD2 LEU 82 HD22 LEU 82 -1.899 -1.934 -0.169 236 H MET 83 HN MET 83 -1.691 -7.533 -1.492 237 HA MET 83 HA MET 83 -0.361 -8.774 -3.639 238 1HB MET 83 HB1 MET 83 -0.867 -9.665 -1.279 239 2HB MET 83 HB2 MET 83 -2.560 -9.607 -1.609 240 1HG MET 83 HG1 MET 83 -2.344 -11.781 -1.917 241 2HG MET 83 HG2 MET 83 -2.424 -11.190 -3.518 242 1HE MET 83 HE1 MET 83 -0.299 -12.974 -0.771 243 2HE MET 83 HE2 MET 83 1.412 -12.798 -1.272 244 3HE MET 83 HE3 MET 83 0.495 -11.371 -0.682 245 H LYS 84 HN LYS 84 -3.753 -7.748 -3.197 246 HA LYS 84 HA LYS 84 -5.098 -8.881 -5.478 247 1HB LYS 84 HB1 LYS 84 -6.388 -8.572 -4.117 248 2HB LYS 84 HB2 LYS 84 -5.442 -7.267 -3.338 249 1HG LYS 84 HG1 LYS 84 -5.807 -5.659 -5.107 250 2HG LYS 84 HG2 LYS 84 -6.908 -6.808 -5.882 251 1HD LYS 84 HD1 LYS 84 -7.637 -6.738 -3.169 252 2HD LYS 84 HD2 LYS 84 -6.879 -5.246 -3.244 253 1HE LYS 84 HE1 LYS 84 -8.505 -4.583 -5.254 254 2HE LYS 84 HE2 LYS 84 -9.274 -6.200 -5.052 255 1HZ LYS 84 HZ2 LYS 84 -9.693 -5.521 -2.701 256 2HZ LYS 84 HZ3 LYS 84 -9.195 -3.950 -3.102 257 3HZ LYS 84 HZ1 LYS 84 -10.551 -4.638 -3.873 258 H ALA 85 HN ALA 85 -3.437 -5.725 -4.755 259 HA ALA 85 HA ALA 85 -3.929 -4.727 -7.371 260 1HB ALA 85 HB3 ALA 85 -3.279 -3.503 -5.067 261 2HB ALA 85 HB1 ALA 85 -1.582 -4.092 -5.366 262 3HB ALA 85 HB2 ALA 85 -2.308 -2.923 -6.494 263 H LEU 86 HN LEU 86 -1.013 -6.144 -5.849 264 HA LEU 86 HA LEU 86 0.643 -5.695 -8.231 265 1HB LEU 86 HB1 LEU 86 1.042 -7.455 -5.778 266 2HB LEU 86 HB2 LEU 86 2.244 -6.982 -6.779 267 HG LEU 86 HG LEU 86 0.429 -4.831 -5.460 268 1HD1 LEU 86 HD23 LEU 86 0.883 -6.359 -3.787 269 2HD1 LEU 86 HD21 LEU 86 2.653 -5.950 -3.883 270 3HD1 LEU 86 HD22 LEU 86 1.368 -4.677 -3.500 271 1HD2 LEU 86 HD11 LEU 86 1.842 -3.999 -7.203 272 2HD2 LEU 86 HD12 LEU 86 2.145 -3.274 -5.598 273 3HD2 LEU 86 HD13 LEU 86 3.305 -4.522 -6.265 274 H LYS 87 HN LYS 87 -1.004 -8.300 -6.618 275 HA LYS 87 HA LYS 87 -0.456 -10.301 -8.209 276 1HB LYS 87 HB1 LYS 87 -3.071 -9.419 -6.977 277 2HB LYS 87 HB2 LYS 87 -3.496 -9.972 -8.415 278 1HG LYS 87 HG1 LYS 87 -1.619 -11.944 -7.136 279 2HG LYS 87 HG2 LYS 87 -3.128 -11.671 -6.268 280 1HD LYS 87 HD1 LYS 87 -4.425 -12.191 -8.402 281 2HD LYS 87 HD2 LYS 87 -2.923 -12.391 -9.275 282 1HE LYS 87 HE1 LYS 87 -3.725 -14.632 -8.703 283 2HE LYS 87 HE2 LYS 87 -2.271 -14.310 -7.674 284 1HZ LYS 87 HZ3 LYS 87 -5.110 -13.967 -6.870 285 2HZ LYS 87 HZ1 LYS 87 -4.083 -15.249 -6.431 286 3HZ LYS 87 HZ2 LYS 87 -3.752 -13.670 -5.899 287 H VAL 88 HN VAL 88 -2.962 -8.033 -9.100 288 HA VAL 88 HA VAL 88 -3.415 -8.644 -11.678 289 HB VAL 88 HB VAL 88 -3.059 -5.792 -10.542 290 1HG1 VAL 88 HG11 VAL 88 -4.646 -6.556 -12.986 291 2HG1 VAL 88 HG12 VAL 88 -4.617 -4.953 -12.115 292 3HG1 VAL 88 HG13 VAL 88 -3.121 -5.542 -12.870 293 1HG2 VAL 88 HG21 VAL 88 -4.856 -7.703 -9.599 294 2HG2 VAL 88 HG22 VAL 88 -4.934 -5.911 -9.397 295 3HG2 VAL 88 HG23 VAL 88 -5.831 -6.720 -10.749 296 H ARG 89 HN ARG 89 -0.691 -6.734 -10.430 297 HA ARG 89 HA ARG 89 0.292 -6.105 -13.034 298 1HB ARG 89 HB1 ARG 89 1.680 -5.854 -10.329 299 2HB ARG 89 HB2 ARG 89 1.979 -4.895 -11.754 300 1HG ARG 89 HG1 ARG 89 -0.836 -4.607 -11.223 301 2HG ARG 89 HG2 ARG 89 -0.175 -4.752 -9.647 302 1HD ARG 89 HD1 ARG 89 0.635 -2.654 -9.573 303 2HD ARG 89 HD2 ARG 89 1.538 -2.880 -11.127 304 HE ARG 89 HE ARG 89 -0.510 -2.254 -12.365 305 1HH1 ARG 89 HH22 ARG 89 -1.527 -3.275 -9.292 306 2HH1 ARG 89 HH21 ARG 89 -3.007 -2.422 -9.351 307 1HH2 ARG 89 HH12 ARG 89 -2.405 -0.975 -12.492 308 2HH2 ARG 89 HH11 ARG 89 -3.575 -1.242 -11.246 309 H GLY 90 HN GLY 90 0.997 -8.476 -10.486 310 1HA GLY 90 HA2 GLY 90 1.856 -10.569 -11.021 311 2HA GLY 90 HA1 GLY 90 2.749 -9.900 -12.424 312 H LEU 91 HN LEU 91 2.528 -8.356 -9.204 313 HA LEU 91 HA LEU 91 5.463 -8.671 -9.035 314 1HB LEU 91 HB1 LEU 91 3.565 -6.505 -8.004 315 2HB LEU 91 HB2 LEU 91 5.245 -6.649 -7.478 316 HG LEU 91 HG LEU 91 4.044 -5.687 -10.076 317 1HD1 LEU 91 HD21 LEU 91 5.086 -4.130 -8.450 318 2HD1 LEU 91 HD22 LEU 91 6.665 -4.981 -8.654 319 3HD1 LEU 91 HD23 LEU 91 5.912 -4.124 -10.058 320 1HD2 LEU 91 HD13 LEU 91 6.630 -7.302 -10.089 321 2HD2 LEU 91 HD11 LEU 91 5.125 -7.559 -11.059 322 3HD2 LEU 91 HD12 LEU 91 6.139 -6.107 -11.369 323 H GLN 92 HN GLN 92 6.364 -8.811 -6.862 324 HA GLN 92 HA GLN 92 4.673 -10.481 -5.183 325 1HB GLN 92 HB1 GLN 92 7.574 -9.815 -4.599 326 2HB GLN 92 HB2 GLN 92 6.668 -11.275 -4.212 327 1HG GLN 92 HG1 GLN 92 7.963 -12.073 -5.943 328 2HG GLN 92 HG2 GLN 92 6.467 -11.640 -6.836 329 1HE2 GLN 92 HE21 GLN 92 9.422 -10.130 -8.697 330 2HE2 GLN 92 HE22 GLN 92 8.613 -11.625 -8.562 331 HA PRO 93 HA PRO 93 4.808 -7.096 -2.348 332 1HB PRO 93 HB1 PRO 93 2.990 -7.957 -0.604 333 2HB PRO 93 HB2 PRO 93 2.515 -7.448 -2.204 334 1HG PRO 93 HG1 PRO 93 2.739 -10.246 -1.203 335 2HG PRO 93 HG2 PRO 93 1.563 -9.547 -2.282 336 1HD PRO 93 HD1 PRO 93 3.702 -11.055 -3.141 337 2HD PRO 93 HD2 PRO 93 2.996 -9.815 -4.130 338 H GLU 94 HN GLU 94 5.368 -10.548 -1.484 339 HA GLU 94 HA GLU 94 5.561 -9.974 1.281 340 1HB GLU 94 HB1 GLU 94 6.804 -12.419 -0.059 341 2HB GLU 94 HB2 GLU 94 6.264 -12.257 1.617 342 1HG GLU 94 HG1 GLU 94 4.401 -13.370 0.875 343 2HG GLU 94 HG2 GLU 94 3.858 -11.718 0.374 344 H CYS 95 HN CYS 95 7.778 -9.647 -1.394 345 HA CYS 95 HA CYS 95 10.100 -9.767 0.405 346 1HB CYS 95 HB1 CYS 95 9.822 -9.432 -2.625 347 2HB CYS 95 HB2 CYS 95 11.368 -9.422 -1.744 348 HG1 CYS 95 HG1 CYS 95 11.026 -11.767 -2.887 349 H CYS 96 HN CYS 96 7.783 -7.552 -0.045 350 HA CYS 96 HA CYS 96 9.697 -5.312 -0.357 351 1HB CYS 96 HB1 CYS 96 6.743 -5.547 -1.120 352 2HB CYS 96 HB2 CYS 96 7.714 -4.102 -1.270 353 HG1 CYS 96 HG1 CYS 96 9.628 -5.176 -2.779 354 H ALA 97 HN ALA 97 8.620 -3.242 0.497 355 HA ALA 97 HA ALA 97 7.223 -3.776 3.044 356 1HB ALA 97 HB2 ALA 97 9.588 -3.090 3.612 357 2HB ALA 97 HB3 ALA 97 9.355 -1.595 2.593 358 3HB ALA 97 HB1 ALA 97 8.370 -1.832 4.061 359 H VAL 98 HN VAL 98 5.425 -2.537 3.217 360 HA VAL 98 HA VAL 98 4.948 -0.645 1.056 361 HB VAL 98 HB VAL 98 2.742 -0.602 2.949 362 1HG1 VAL 98 HG13 VAL 98 2.650 -0.205 0.467 363 2HG1 VAL 98 HG11 VAL 98 2.567 -2.032 0.318 364 3HG1 VAL 98 HG12 VAL 98 1.335 -1.059 1.247 365 1HG2 VAL 98 HG21 VAL 98 3.756 -2.720 3.814 366 2HG2 VAL 98 HG22 VAL 98 2.096 -2.645 3.493 367 3HG2 VAL 98 HG23 VAL 98 3.195 -3.460 2.217 368 H PHE 99 HN PHE 99 3.651 1.367 1.845 369 HA PHE 99 HA PHE 99 4.303 2.262 4.408 370 1HB PHE 99 HB1 PHE 99 5.621 3.509 1.797 371 2HB PHE 99 HB2 PHE 99 5.402 4.488 3.173 372 HD1 PHE 99 HD1 PHE 99 6.961 1.551 1.530 373 HD2 PHE 99 HD2 PHE 99 7.205 3.906 5.125 374 HE1 PHE 99 HE1 PHE 99 9.268 0.862 1.895 375 HE2 PHE 99 HE2 PHE 99 9.415 3.133 5.479 376 HZ PHE 99 HZ PHE 99 10.577 2.077 3.575 377 H ARG 100 HN ARG 100 3.618 4.664 4.637 378 HA ARG 100 HA ARG 100 1.450 5.427 2.691 379 1HB ARG 100 HB1 ARG 100 0.431 4.927 4.619 380 2HB ARG 100 HB2 ARG 100 1.832 5.581 5.592 381 1HG ARG 100 HG1 ARG 100 1.607 7.719 5.157 382 2HG ARG 100 HG2 ARG 100 0.302 7.491 3.958 383 1HD ARG 100 HD1 ARG 100 -0.994 6.270 5.909 384 2HD ARG 100 HD2 ARG 100 0.195 6.887 6.982 385 HE ARG 100 HE ARG 100 -2.019 8.426 6.313 386 1HH1 ARG 100 HH22 ARG 100 1.308 8.950 6.512 387 2HH1 ARG 100 HH21 ARG 100 1.048 10.638 6.859 388 1HH2 ARG 100 HH12 ARG 100 -2.391 10.557 6.070 389 2HH2 ARG 100 HH11 ARG 100 -1.036 11.581 6.507 390 H LEU 101 HN LEU 101 1.862 7.379 1.772 391 HA LEU 101 HA LEU 101 4.587 8.001 1.708 392 1HB LEU 101 HB1 LEU 101 2.131 9.481 0.494 393 2HB LEU 101 HB2 LEU 101 3.817 9.958 0.133 394 HG LEU 101 HG LEU 101 2.467 7.335 -0.640 395 1HD1 LEU 101 HD21 LEU 101 2.157 9.407 -2.091 396 2HD1 LEU 101 HD22 LEU 101 3.935 9.360 -2.393 397 3HD1 LEU 101 HD23 LEU 101 2.916 7.961 -2.884 398 1HD2 LEU 101 HD13 LEU 101 5.417 7.983 -0.449 399 2HD2 LEU 101 HD11 LEU 101 4.519 6.459 -0.064 400 3HD2 LEU 101 HD12 LEU 101 4.813 6.997 -1.793 401 H LEU 102 HN LEU 102 5.082 10.605 1.504 402 HA LEU 102 HA LEU 102 4.952 11.387 4.235 403 1HB LEU 102 HB1 LEU 102 6.311 13.381 3.107 404 2HB LEU 102 HB2 LEU 102 7.041 11.810 3.598 405 HG LEU 102 HG LEU 102 6.829 10.902 1.346 406 1HD1 LEU 102 HD23 LEU 102 4.827 12.323 0.661 407 2HD1 LEU 102 HD21 LEU 102 5.931 13.696 0.457 408 3HD1 LEU 102 HD22 LEU 102 6.170 12.205 -0.563 409 1HD2 LEU 102 HD11 LEU 102 8.350 13.526 1.467 410 2HD2 LEU 102 HD12 LEU 102 8.916 11.889 1.978 411 3HD2 LEU 102 HD13 LEU 102 8.551 12.213 0.241 412 H HIS 103 HN HSP 103 2.535 11.734 4.272 413 HA HIS 103 HA HSP 103 1.765 14.234 2.965 414 1HB HIS 103 HB1 HSP 103 0.245 12.262 4.722 415 2HB HIS 103 HB2 HSP 103 -0.438 13.820 4.124 416 HD1 HIS 103 HD1 HSP 103 -1.945 11.440 3.259 417 HD2 HIS 103 HD2 HSP 103 1.258 13.010 1.024 418 HE1 HIS 103 HE1 HSP 103 -2.302 10.784 0.858 419 HE2 HIS 103 HE2 HSP 103 -0.444 11.812 -0.485 420 H GLU 104 HN GLU 104 3.366 13.173 5.821 421 HA GLU 104 HA GLU 104 2.997 15.866 6.937 422 1HB GLU 104 HB1 GLU 104 2.844 13.352 8.686 423 2HB GLU 104 HB2 GLU 104 2.701 15.030 9.212 424 1HG GLU 104 HG1 GLU 104 0.460 14.384 9.221 425 2HG GLU 104 HG2 GLU 104 0.604 15.226 7.631 426 H HIS 105 HN HSP 105 5.154 14.457 5.373 427 HA HIS 105 HA HSP 105 7.202 14.693 7.440 428 1HB HIS 105 HB1 HSP 105 7.728 12.462 5.537 429 2HB HIS 105 HB2 HSP 105 8.228 12.671 7.233 430 HD1 HIS 105 HD1 HSP 105 5.800 12.622 8.855 431 HD2 HIS 105 HD2 HSP 105 6.036 10.326 5.359 432 HE1 HIS 105 HE1 HSP 105 4.224 10.658 9.139 433 HE2 HIS 105 HE2 HSP 105 4.339 9.347 6.984 434 H LYS 106 HN LYS 106 9.417 14.838 6.290 435 HA LYS 106 HA LYS 106 8.968 16.509 4.004 436 1HB LYS 106 HB1 LYS 106 10.344 17.324 5.958 437 2HB LYS 106 HB2 LYS 106 11.454 15.969 5.716 438 1HG LYS 106 HG1 LYS 106 12.384 18.033 4.774 439 2HG LYS 106 HG2 LYS 106 12.130 16.852 3.486 440 1HD LYS 106 HD1 LYS 106 11.427 19.111 2.743 441 2HD LYS 106 HD2 LYS 106 10.049 18.003 2.749 442 1HE LYS 106 HE1 LYS 106 9.268 18.973 4.946 443 2HE LYS 106 HE2 LYS 106 10.708 20.076 4.957 444 1HZ LYS 106 HZ2 LYS 106 8.594 19.958 2.877 445 2HZ LYS 106 HZ3 LYS 106 8.748 21.133 4.094 446 3HZ LYS 106 HZ1 LYS 106 9.935 20.996 2.885 447 H GLY 107 HN GLY 107 10.753 13.635 4.953 448 1HA GLY 107 HA2 GLY 107 10.915 12.764 2.191 449 2HA GLY 107 HA1 GLY 107 12.465 13.270 2.949 450 H LYS 108 HN LYS 108 9.504 11.444 4.067 451 HA LYS 108 HA LYS 108 11.072 9.076 4.510 452 1HB LYS 108 HB1 LYS 108 9.992 10.666 6.845 453 2HB LYS 108 HB2 LYS 108 10.304 8.901 6.875 454 1HG LYS 108 HG1 LYS 108 12.698 9.693 5.896 455 2HG LYS 108 HG2 LYS 108 12.282 11.178 6.770 456 1HD LYS 108 HD1 LYS 108 11.834 9.489 8.805 457 2HD LYS 108 HD2 LYS 108 12.505 8.226 7.755 458 1HE LYS 108 HE1 LYS 108 13.995 10.811 8.608 459 2HE LYS 108 HE2 LYS 108 14.185 9.193 9.397 460 1HZ LYS 108 HZ3 LYS 108 14.723 9.810 6.547 461 2HZ LYS 108 HZ1 LYS 108 15.885 9.625 7.774 462 3HZ LYS 108 HZ2 LYS 108 14.917 8.307 7.305 463 H LYS 109 HN LYS 109 9.663 7.359 4.330 464 HA LYS 109 HA LYS 109 6.793 7.958 4.036 465 1HB LYS 109 HB1 LYS 109 8.630 5.941 2.975 466 2HB LYS 109 HB2 LYS 109 7.402 5.347 3.293 467 1HG LYS 109 HG1 LYS 109 6.533 7.651 1.716 468 2HG LYS 109 HG2 LYS 109 8.253 7.864 1.602 469 1HD LYS 109 HD1 LYS 109 7.252 5.112 0.927 470 2HD LYS 109 HD2 LYS 109 6.757 6.332 -0.179 471 1HE LYS 109 HE1 LYS 109 9.703 6.084 0.811 472 2HE LYS 109 HE2 LYS 109 9.094 4.975 -0.476 473 1HZ LYS 109 HZ3 LYS 109 8.474 6.979 -1.740 474 2HZ LYS 109 HZ1 LYS 109 9.172 7.951 -0.537 475 3HZ LYS 109 HZ2 LYS 109 10.139 6.877 -1.443 476 H ALA 110 HN ALA 110 5.425 6.640 5.232 477 HA ALA 110 HA ALA 110 6.538 5.947 7.899 478 1HB ALA 110 HB1 ALA 110 3.614 6.439 7.154 479 2HB ALA 110 HB2 ALA 110 4.211 5.801 8.744 480 3HB ALA 110 HB3 ALA 110 4.636 7.471 8.231 481 H ARG 111 HN ARG 111 6.626 3.644 8.355 482 HA ARG 111 HA ARG 111 6.110 2.185 5.929 483 1HB ARG 111 HB1 ARG 111 8.349 2.379 7.161 484 2HB ARG 111 HB2 ARG 111 7.553 1.379 8.455 485 1HG ARG 111 HG1 ARG 111 7.627 0.495 5.536 486 2HG ARG 111 HG2 ARG 111 9.029 0.325 6.558 487 1HD ARG 111 HD1 ARG 111 6.787 -0.584 8.137 488 2HD ARG 111 HD2 ARG 111 6.466 -1.193 6.469 489 HE ARG 111 HE ARG 111 9.178 -1.694 7.743 490 1HH1 ARG 111 HH22 ARG 111 5.955 -2.900 7.452 491 2HH1 ARG 111 HH21 ARG 111 6.447 -4.532 7.801 492 1HH2 ARG 111 HH12 ARG 111 9.891 -3.890 7.584 493 2HH2 ARG 111 HH11 ARG 111 8.686 -5.081 7.923 494 H LEU 112 HN LEU 112 4.713 0.845 5.862 495 HA LEU 112 HA LEU 112 2.775 0.446 7.867 496 1HB LEU 112 HB1 LEU 112 3.117 -0.086 4.883 497 2HB LEU 112 HB2 LEU 112 1.717 -0.809 5.720 498 HG LEU 112 HG LEU 112 0.984 1.334 6.469 499 1HD1 LEU 112 HD13 LEU 112 2.353 2.268 7.450 500 2HD1 LEU 112 HD11 LEU 112 3.259 2.735 5.960 501 3HD1 LEU 112 HD12 LEU 112 1.560 3.381 6.312 502 1HD2 LEU 112 HD23 LEU 112 1.567 1.291 3.468 503 2HD2 LEU 112 HD21 LEU 112 0.082 0.679 4.275 504 3HD2 LEU 112 HD22 LEU 112 0.418 2.453 4.257 505 H ASP 113 HN ASP 113 1.492 -1.546 7.925 506 HA ASP 113 HA ASP 113 3.331 -3.770 8.307 507 1HB ASP 113 HB1 ASP 113 1.558 -3.100 10.120 508 2HB ASP 113 HB2 ASP 113 0.387 -3.949 9.023 509 H TRP 114 HN TRP 114 2.958 -5.753 7.067 510 HA TRP 114 HA TRP 114 1.467 -5.552 5.028 511 1HB TRP 114 HB1 TRP 114 3.146 -7.682 6.458 512 2HB TRP 114 HB2 TRP 114 1.940 -8.453 5.416 513 HD1 TRP 114 HD1 TRP 114 5.348 -8.177 4.780 514 HE1 TRP 114 HE1 TRP 114 6.045 -6.958 2.589 515 HE3 TRP 114 HE3 TRP 114 0.919 -6.582 3.643 516 HZ2 TRP 114 HZ2 TRP 114 4.507 -5.732 0.363 517 HZ3 TRP 114 HZ3 TRP 114 0.369 -5.650 1.371 518 HH2 TRP 114 HH2 TRP 114 2.126 -5.196 -0.180 519 H ASN 115 HN ASN 115 0.470 -6.434 8.163 520 HA ASN 115 HA ASN 115 -2.081 -7.484 7.088 521 1HB ASN 115 HB1 ASN 115 -0.585 -7.948 9.447 522 2HB ASN 115 HB2 ASN 115 -1.666 -6.748 10.014 523 1HD2 ASN 115 HD21 ASN 115 -4.696 -8.684 9.424 524 2HD2 ASN 115 HD22 ASN 115 -4.081 -7.072 9.237 525 H THR 116 HN THR 116 -1.027 -4.622 6.569 526 HA THR 116 HA THR 116 -2.132 -3.272 8.679 527 HB THR 116 HB THR 116 -0.203 -2.494 6.830 528 HG1 THR 116 HG1 THR 116 -1.051 -1.169 9.043 529 1HG2 THR 116 HG22 THR 116 -2.414 -0.831 6.176 530 2HG2 THR 116 HG23 THR 116 -2.257 -0.329 7.886 531 3HG2 THR 116 HG21 THR 116 -0.903 -0.020 6.727 532 H ASP 117 HN ASP 117 -3.954 -1.746 8.552 533 HA ASP 117 HA ASP 117 -6.302 -2.852 7.664 534 1HB ASP 117 HB1 ASP 117 -6.082 0.076 7.947 535 2HB ASP 117 HB2 ASP 117 -7.407 -1.111 8.408 536 H ALA 118 HN ALA 118 -4.256 -1.143 5.685 537 HA ALA 118 HA ALA 118 -4.455 0.417 3.946 538 1HB ALA 118 HB2 ALA 118 -4.919 -1.975 3.041 539 2HB ALA 118 HB3 ALA 118 -6.668 -1.589 3.145 540 3HB ALA 118 HB1 ALA 118 -5.594 -0.619 2.054 541 H ALA 119 HN ALA 119 -7.434 -0.457 5.551 542 HA ALA 119 HA ALA 119 -9.065 1.660 4.432 543 1HB ALA 119 HB2 ALA 119 -8.753 -0.493 6.721 544 2HB ALA 119 HB3 ALA 119 -10.275 0.549 6.662 545 3HB ALA 119 HB1 ALA 119 -9.856 -0.597 5.330 546 H SER 120 HN SER 120 -6.611 1.470 6.942 547 HA SER 120 HA SER 120 -7.712 3.840 8.287 548 1HB SER 120 HB1 SER 120 -5.054 2.436 8.810 549 2HB SER 120 HB2 SER 120 -5.869 3.672 9.833 550 HG SER 120 HG1 SER 120 -6.353 1.714 10.670 551 H LEU 121 HN LEU 121 -5.816 2.960 5.585 552 HA LEU 121 HA LEU 121 -4.253 5.488 5.672 553 1HB LEU 121 HB1 LEU 121 -3.952 3.058 3.816 554 2HB LEU 121 HB2 LEU 121 -2.874 4.407 3.908 555 HG LEU 121 HG LEU 121 -1.693 2.861 5.221 556 1HD1 LEU 121 HD23 LEU 121 -2.263 4.876 6.684 557 2HD1 LEU 121 HD21 LEU 121 -3.592 3.957 7.371 558 3HD1 LEU 121 HD22 LEU 121 -1.899 3.331 7.599 559 1HD2 LEU 121 HD12 LEU 121 -4.443 1.761 5.935 560 2HD2 LEU 121 HD13 LEU 121 -2.996 0.923 5.267 561 3HD2 LEU 121 HD11 LEU 121 -3.068 1.442 7.026 562 H ILE 122 HN ILE 122 -6.904 4.120 4.769 563 HA ILE 122 HA ILE 122 -7.379 4.601 2.231 564 HB ILE 122 HB ILE 122 -9.079 3.824 4.119 565 1HG1 ILE 122 HG11 ILE 122 -10.888 3.988 2.241 566 2HG1 ILE 122 HG12 ILE 122 -9.409 4.371 1.241 567 1HG2 ILE 122 HG23 ILE 122 -9.729 6.101 4.861 568 2HG2 ILE 122 HG21 ILE 122 -10.339 6.431 3.168 569 3HG2 ILE 122 HG22 ILE 122 -11.113 5.166 4.143 570 1HD1 ILE 122 HD1 ILE 122 -8.356 2.295 2.398 571 2HD1 ILE 122 HD2 ILE 122 -10.156 1.786 2.383 572 3HD1 ILE 122 HD3 ILE 122 -9.312 2.223 0.895 573 H GLY 123 HN GLY 123 -7.997 6.123 0.896 574 1HA GLY 123 HA2 GLY 123 -8.203 8.160 -0.027 575 2HA GLY 123 HA1 GLY 123 -8.448 8.809 1.629 576 H GLU 124 HN GLU 124 -5.468 7.128 1.428 577 HA GLU 124 HA GLU 124 -4.070 9.725 1.252 578 1HB GLU 124 HB1 GLU 124 -3.040 7.119 2.406 579 2HB GLU 124 HB2 GLU 124 -2.331 8.743 2.562 580 1HG GLU 124 HG1 GLU 124 -5.197 8.295 3.570 581 2HG GLU 124 HG2 GLU 124 -3.883 7.495 4.445 582 H GLU 125 HN GLU 125 -1.510 8.295 0.996 583 HA GLU 125 HA GLU 125 -1.721 7.070 -1.696 584 1HB GLU 125 HB1 GLU 125 0.059 9.395 -1.017 585 2HB GLU 125 HB2 GLU 125 0.457 8.194 -2.281 586 1HG GLU 125 HG1 GLU 125 -1.106 8.772 -3.772 587 2HG GLU 125 HG2 GLU 125 -2.300 9.218 -2.555 588 H LEU 126 HN LEU 126 -0.786 5.142 -1.498 589 HA LEU 126 HA LEU 126 1.244 4.871 0.490 590 1HB LEU 126 HB1 LEU 126 -0.437 2.851 -1.087 591 2HB LEU 126 HB2 LEU 126 1.011 2.303 -0.279 592 HG LEU 126 HG LEU 126 -0.022 3.611 1.832 593 1HD1 LEU 126 HD23 LEU 126 -2.457 3.155 0.229 594 2HD1 LEU 126 HD21 LEU 126 -2.418 3.214 2.035 595 3HD1 LEU 126 HD22 LEU 126 -1.823 4.626 1.110 596 1HD2 LEU 126 HD12 LEU 126 0.603 1.143 1.690 597 2HD2 LEU 126 HD13 LEU 126 -0.958 1.428 2.599 598 3HD2 LEU 126 HD11 LEU 126 -0.984 0.817 0.908 599 H GLN 127 HN GLN 127 2.900 2.973 -0.147 600 HA GLN 127 HA GLN 127 3.714 3.065 -2.926 601 1HB GLN 127 HB1 GLN 127 4.814 5.138 -2.125 602 2HB GLN 127 HB2 GLN 127 5.633 4.181 -0.854 603 1HG GLN 127 HG1 GLN 127 6.951 2.943 -2.399 604 2HG GLN 127 HG2 GLN 127 5.950 3.452 -3.815 605 1HE2 GLN 127 HE21 GLN 127 9.198 5.547 -3.154 606 2HE2 GLN 127 HE22 GLN 127 8.955 3.921 -2.638 607 H VAL 128 HN VAL 128 5.446 1.453 -3.248 608 HA VAL 128 HA VAL 128 5.735 -0.364 -0.928 609 HB VAL 128 HB VAL 128 5.292 -1.089 -3.851 610 1HG1 VAL 128 HG12 VAL 128 6.289 -2.864 -1.540 611 2HG1 VAL 128 HG13 VAL 128 5.738 -3.454 -3.153 612 3HG1 VAL 128 HG11 VAL 128 7.210 -2.446 -3.064 613 1HG2 VAL 128 HG22 VAL 128 3.255 -0.890 -2.457 614 2HG2 VAL 128 HG23 VAL 128 3.572 -2.537 -3.073 615 3HG2 VAL 128 HG21 VAL 128 3.935 -2.144 -1.326 616 H ASP 129 HN ASP 129 7.868 -1.194 -0.699 617 HA ASP 129 HA ASP 129 9.805 -0.381 -2.696 618 1HB ASP 129 HB1 ASP 129 9.322 1.243 -0.308 619 2HB ASP 129 HB2 ASP 129 10.913 0.428 -0.107 620 H PHE 130 HN PHE 130 12.160 -1.004 -1.429 621 HA PHE 130 HA PHE 130 11.714 -3.830 -0.984 622 1HB PHE 130 HB1 PHE 130 14.292 -3.811 -0.736 623 2HB PHE 130 HB2 PHE 130 13.590 -3.526 -2.360 624 HD1 PHE 130 HD2 PHE 130 15.230 -1.924 0.570 625 HD2 PHE 130 HD1 PHE 130 13.617 -1.264 -3.342 626 HE1 PHE 130 HE2 PHE 130 16.281 0.282 0.500 627 HE2 PHE 130 HE1 PHE 130 14.658 0.950 -3.380 628 HZ PHE 130 HZ PHE 130 15.991 1.733 -1.468 629 H LEU 131 HN LEU 131 12.289 -4.944 0.979 630 HA LEU 131 HA LEU 131 12.301 -3.231 3.333 631 1HB LEU 131 HB1 LEU 131 12.007 -5.395 4.537 632 2HB LEU 131 HB2 LEU 131 10.699 -4.891 3.478 633 HG LEU 131 HG LEU 131 11.168 -6.212 1.613 634 1HD1 LEU 131 HD22 LEU 131 13.368 -7.580 3.277 635 2HD1 LEU 131 HD23 LEU 131 12.715 -8.135 1.699 636 3HD1 LEU 131 HD21 LEU 131 13.609 -6.587 1.759 637 1HD2 LEU 131 HD12 LEU 131 9.594 -7.014 3.296 638 2HD2 LEU 131 HD13 LEU 131 10.475 -8.363 2.486 639 3HD2 LEU 131 HD11 LEU 131 10.931 -7.864 4.163 640 H ASP 132 HN ASP 132 13.684 -5.823 4.489 641 HA ASP 132 HA ASP 132 16.245 -4.564 4.606 642 1HB ASP 132 HB1 ASP 132 15.575 -7.425 5.490 643 2HB ASP 132 HB2 ASP 132 16.933 -6.362 6.074 No H/Q in entry = 643 Start of MODEL 27 1 1H SER 55 HT3 SER 55 -13.565 7.704 3.108 2 2H SER 55 HT2 SER 55 -11.908 7.636 3.370 3 3H SER 55 HT1 SER 55 -12.588 9.010 2.612 4 HA SER 55 HA SER 55 -13.210 7.733 0.730 5 1HB SER 55 HB1 SER 55 -10.759 8.679 1.074 6 2HB SER 55 HB2 SER 55 -10.297 6.970 1.364 7 HG SER 55 HG1 SER 55 -11.410 8.196 -0.940 8 H ASN 56 HN ASN 56 -12.334 5.621 -0.490 9 HA ASN 56 HA ASN 56 -12.235 3.310 1.352 10 1HB ASN 56 HB1 ASN 56 -13.726 1.992 -0.031 11 2HB ASN 56 HB2 ASN 56 -14.541 3.320 0.878 12 1HD2 ASN 56 HD21 ASN 56 -14.287 3.503 -3.257 13 2HD2 ASN 56 HD22 ASN 56 -13.298 2.397 -2.377 14 H THR 57 HN THR 57 -10.538 5.141 -0.509 15 HA THR 57 HA THR 57 -9.494 2.947 -2.197 16 HB THR 57 HB THR 57 -9.131 4.419 -4.062 17 HG1 THR 57 HG1 THR 57 -10.219 6.417 -2.352 18 1HG2 THR 57 HG22 THR 57 -11.525 3.544 -3.868 19 2HG2 THR 57 HG23 THR 57 -11.972 5.098 -3.060 20 3HG2 THR 57 HG21 THR 57 -11.374 5.112 -4.759 21 H ILE 58 HN ILE 58 -7.217 3.082 -2.567 22 HA ILE 58 HA ILE 58 -5.908 5.381 -1.447 23 HB ILE 58 HB ILE 58 -4.354 2.927 -0.800 24 1HG1 ILE 58 HG11 ILE 58 -5.525 2.818 1.515 25 2HG1 ILE 58 HG12 ILE 58 -6.951 3.432 0.676 26 1HG2 ILE 58 HG22 ILE 58 -4.838 5.596 0.610 27 2HG2 ILE 58 HG23 ILE 58 -3.908 4.247 1.319 28 3HG2 ILE 58 HG21 ILE 58 -3.353 4.996 -0.228 29 1HD1 ILE 58 HD3 ILE 58 -5.298 0.967 -0.248 30 2HD1 ILE 58 HD1 ILE 58 -6.677 0.855 0.889 31 3HD1 ILE 58 HD2 ILE 58 -6.959 1.435 -0.802 32 H ARG 59 HN ARG 59 -3.486 5.378 -2.287 33 HA ARG 59 HA ARG 59 -3.629 4.165 -4.964 34 1HB ARG 59 HB1 ARG 59 -2.392 6.705 -3.906 35 2HB ARG 59 HB2 ARG 59 -2.103 6.036 -5.537 36 1HG ARG 59 HG1 ARG 59 -4.133 6.614 -6.319 37 2HG ARG 59 HG2 ARG 59 -4.985 6.097 -4.981 38 1HD ARG 59 HD1 ARG 59 -3.333 8.713 -4.779 39 2HD ARG 59 HD2 ARG 59 -5.003 8.708 -5.464 40 HE ARG 59 HE ARG 59 -4.289 7.883 -2.617 41 1HH1 ARG 59 HH22 ARG 59 -6.683 7.589 -5.108 42 2HH1 ARG 59 HH21 ARG 59 -7.931 7.193 -3.969 43 1HH2 ARG 59 HH12 ARG 59 -5.981 7.883 -1.134 44 2HH2 ARG 59 HH11 ARG 59 -7.538 7.373 -1.714 45 H VAL 60 HN VAL 60 -1.899 3.017 -5.690 46 HA VAL 60 HA VAL 60 0.173 2.490 -3.612 47 HB VAL 60 HB VAL 60 -0.583 0.490 -5.744 48 1HG1 VAL 60 HG11 VAL 60 1.652 0.283 -4.651 49 2HG1 VAL 60 HG12 VAL 60 0.835 0.135 -3.053 50 3HG1 VAL 60 HG13 VAL 60 0.552 -1.113 -4.336 51 1HG2 VAL 60 HG23 VAL 60 -1.727 0.587 -2.900 52 2HG2 VAL 60 HG21 VAL 60 -2.642 0.796 -4.443 53 3HG2 VAL 60 HG22 VAL 60 -1.863 -0.786 -4.069 54 H PHE 61 HN PHE 61 2.003 3.462 -4.225 55 HA PHE 61 HA PHE 61 2.521 3.887 -7.100 56 1HB PHE 61 HB1 PHE 61 3.686 4.974 -4.526 57 2HB PHE 61 HB2 PHE 61 4.596 5.064 -6.124 58 HD1 PHE 61 HD2 PHE 61 1.104 5.627 -4.727 59 HD2 PHE 61 HD1 PHE 61 4.240 7.053 -7.270 60 HE1 PHE 61 HE2 PHE 61 -0.207 7.617 -5.237 61 HE2 PHE 61 HE1 PHE 61 2.933 9.075 -7.710 62 HZ PHE 61 HZ PHE 61 0.724 9.379 -6.672 63 H LEU 62 HN LEU 62 4.326 2.858 -8.184 64 HA LEU 62 HA LEU 62 5.186 0.500 -6.685 65 1HB LEU 62 HB1 LEU 62 5.298 1.344 -9.550 66 2HB LEU 62 HB2 LEU 62 6.630 0.250 -8.926 67 HG LEU 62 HG LEU 62 4.574 -0.725 -10.117 68 1HD1 LEU 62 HD12 LEU 62 5.960 -2.106 -8.543 69 2HD1 LEU 62 HD13 LEU 62 4.765 -1.697 -7.223 70 3HD1 LEU 62 HD11 LEU 62 4.240 -2.612 -8.674 71 1HD2 LEU 62 HD22 LEU 62 2.903 0.862 -9.304 72 2HD2 LEU 62 HD23 LEU 62 2.439 -0.857 -9.050 73 3HD2 LEU 62 HD21 LEU 62 3.021 0.124 -7.646 74 HA PRO 63 HA PRO 63 8.619 2.459 -5.322 75 1HB PRO 63 HB1 PRO 63 10.457 0.269 -5.902 76 2HB PRO 63 HB2 PRO 63 9.989 0.961 -4.381 77 1HG PRO 63 HG1 PRO 63 9.070 -1.447 -5.627 78 2HG PRO 63 HG2 PRO 63 8.481 -0.817 -4.135 79 1HD PRO 63 HD1 PRO 63 6.966 -1.013 -6.465 80 2HD PRO 63 HD2 PRO 63 6.577 0.058 -5.200 81 H ASN 64 HN ASN 64 8.937 4.115 -6.847 82 HA ASN 64 HA ASN 64 10.529 5.239 -7.922 83 1HB ASN 64 HB1 ASN 64 11.802 2.673 -9.004 84 2HB ASN 64 HB2 ASN 64 12.387 4.337 -9.274 85 1HD2 ASN 64 HD21 ASN 64 13.466 2.536 -5.830 86 2HD2 ASN 64 HD22 ASN 64 12.650 1.702 -7.111 87 H LYS 65 HN LYS 65 8.821 2.499 -9.360 88 HA LYS 65 HA LYS 65 8.743 3.808 -11.913 89 1HB LYS 65 HB1 LYS 65 7.540 1.178 -11.031 90 2HB LYS 65 HB2 LYS 65 7.477 1.842 -12.678 91 1HG LYS 65 HG1 LYS 65 9.306 0.506 -12.947 92 2HG LYS 65 HG2 LYS 65 10.101 2.063 -12.497 93 1HD LYS 65 HD1 LYS 65 11.100 0.082 -11.358 94 2HD LYS 65 HD2 LYS 65 10.564 1.363 -10.274 95 1HE LYS 65 HE1 LYS 65 8.466 0.043 -9.760 96 2HE LYS 65 HE2 LYS 65 9.032 -1.260 -10.896 97 1HZ LYS 65 HZ1 LYS 65 11.004 -1.429 -9.487 98 2HZ LYS 65 HZ2 LYS 65 10.380 -0.235 -8.448 99 3HZ LYS 65 HZ3 LYS 65 9.571 -1.723 -8.617 100 H GLN 66 HN GLN 66 5.995 2.040 -10.957 101 HA GLN 66 HA GLN 66 4.554 4.285 -11.851 102 1HB GLN 66 HB1 GLN 66 4.520 1.371 -12.227 103 2HB GLN 66 HB2 GLN 66 3.010 1.711 -11.636 104 1HG GLN 66 HG1 GLN 66 4.091 3.537 -13.860 105 2HG GLN 66 HG2 GLN 66 4.016 1.802 -14.292 106 1HE2 GLN 66 HE21 GLN 66 0.538 4.014 -13.663 107 2HE2 GLN 66 HE22 GLN 66 2.102 4.697 -13.411 108 H ARG 67 HN ARG 67 1.916 3.443 -11.348 109 HA ARG 67 HA ARG 67 1.504 3.377 -8.540 110 1HB ARG 67 HB1 ARG 67 0.364 5.675 -8.552 111 2HB ARG 67 HB2 ARG 67 2.138 5.689 -8.514 112 1HG ARG 67 HG1 ARG 67 0.981 5.703 -11.277 113 2HG ARG 67 HG2 ARG 67 0.523 7.088 -10.304 114 1HD ARG 67 HD1 ARG 67 2.758 7.870 -10.032 115 2HD ARG 67 HD2 ARG 67 3.467 6.249 -10.348 116 HE ARG 67 HE ARG 67 2.007 7.764 -12.542 117 1HH1 ARG 67 HH22 ARG 67 5.110 6.826 -11.185 118 2HH1 ARG 67 HH21 ARG 67 5.963 7.611 -12.446 119 1HH2 ARG 67 HH12 ARG 67 3.153 7.968 -14.513 120 2HH2 ARG 67 HH11 ARG 67 4.867 8.167 -14.391 121 H THR 68 HN THR 68 -0.889 3.732 -8.093 122 HA THR 68 HA THR 68 -2.697 3.857 -10.209 123 HB THR 68 HB THR 68 -1.890 1.558 -10.828 124 HG1 THR 68 HG1 THR 68 -4.015 0.608 -10.544 125 1HG2 THR 68 HG22 THR 68 -1.310 0.822 -8.419 126 2HG2 THR 68 HG23 THR 68 -3.084 0.634 -8.142 127 3HG2 THR 68 HG21 THR 68 -2.267 -0.362 -9.401 128 H VAL 69 HN VAL 69 -4.962 2.890 -9.242 129 HA VAL 69 HA VAL 69 -4.925 3.648 -6.375 130 HB VAL 69 HB VAL 69 -6.104 5.398 -7.385 131 1HG1 VAL 69 HG11 VAL 69 -6.513 4.472 -9.640 132 2HG1 VAL 69 HG12 VAL 69 -7.733 3.316 -8.956 133 3HG1 VAL 69 HG13 VAL 69 -8.034 5.094 -8.908 134 1HG2 VAL 69 HG21 VAL 69 -7.065 4.525 -5.333 135 2HG2 VAL 69 HG22 VAL 69 -8.245 5.335 -6.428 136 3HG2 VAL 69 HG23 VAL 69 -8.230 3.541 -6.324 137 H VAL 70 HN VAL 70 -6.106 2.335 -5.004 138 HA VAL 70 HA VAL 70 -7.228 -0.108 -6.263 139 HB VAL 70 HB VAL 70 -6.396 -1.419 -4.353 140 1HG1 VAL 70 HG13 VAL 70 -5.096 -1.475 -6.438 141 2HG1 VAL 70 HG11 VAL 70 -4.155 -0.033 -5.910 142 3HG1 VAL 70 HG12 VAL 70 -4.032 -1.582 -4.981 143 1HG2 VAL 70 HG23 VAL 70 -6.132 0.367 -2.664 144 2HG2 VAL 70 HG21 VAL 70 -4.633 -0.600 -2.878 145 3HG2 VAL 70 HG22 VAL 70 -4.739 1.047 -3.604 146 H ASN 71 HN ASN 71 -8.751 -1.221 -4.751 147 HA ASN 71 HA ASN 71 -10.119 0.779 -3.036 148 1HB ASN 71 HB1 ASN 71 -11.261 -1.387 -4.885 149 2HB ASN 71 HB2 ASN 71 -12.181 -0.748 -3.463 150 1HD2 ASN 71 HD21 ASN 71 -11.518 1.737 -6.715 151 2HD2 ASN 71 HD22 ASN 71 -10.521 0.341 -6.490 152 H VAL 72 HN VAL 72 -10.969 -0.101 -1.052 153 HA VAL 72 HA VAL 72 -9.623 -2.631 -0.325 154 HB VAL 72 HB VAL 72 -10.866 -0.531 1.497 155 1HG1 VAL 72 HG11 VAL 72 -9.166 -3.033 2.069 156 2HG1 VAL 72 HG12 VAL 72 -9.503 -1.728 3.262 157 3HG1 VAL 72 HG13 VAL 72 -10.868 -2.698 2.607 158 1HG2 VAL 72 HG22 VAL 72 -8.871 0.410 0.388 159 2HG2 VAL 72 HG23 VAL 72 -8.582 0.075 2.150 160 3HG2 VAL 72 HG21 VAL 72 -7.904 -1.018 0.893 161 H ARG 73 HN ARG 73 -10.844 -4.363 0.444 162 HA ARG 73 HA ARG 73 -13.774 -3.953 0.387 163 1HB ARG 73 HB1 ARG 73 -12.267 -5.686 -1.341 164 2HB ARG 73 HB2 ARG 73 -12.946 -6.729 -0.126 165 1HG ARG 73 HG1 ARG 73 -14.686 -6.700 -1.712 166 2HG ARG 73 HG2 ARG 73 -15.244 -5.399 -0.641 167 1HD ARG 73 HD1 ARG 73 -13.531 -4.949 -3.189 168 2HD ARG 73 HD2 ARG 73 -15.346 -4.917 -3.161 169 HE ARG 73 HE ARG 73 -13.730 -3.078 -1.356 170 1HH1 ARG 73 HH22 ARG 73 -15.085 -3.439 -4.510 171 2HH1 ARG 73 HH21 ARG 73 -15.087 -1.731 -4.794 172 1HH2 ARG 73 HH12 ARG 73 -14.191 -0.885 -1.497 173 2HH2 ARG 73 HH11 ARG 73 -14.627 -0.267 -3.060 174 H ASN 74 HN ASN 74 -14.737 -6.023 1.598 175 HA ASN 74 HA ASN 74 -13.467 -5.876 4.203 176 1HB ASN 74 HB1 ASN 74 -15.438 -7.598 4.736 177 2HB ASN 74 HB2 ASN 74 -15.643 -5.832 4.748 178 1HD2 ASN 74 HD21 ASN 74 -17.118 -8.072 1.531 179 2HD2 ASN 74 HD22 ASN 74 -15.753 -8.648 2.431 180 H GLY 75 HN GLY 75 -11.684 -7.109 4.423 181 1HA GLY 75 HA2 GLY 75 -11.269 -9.518 4.835 182 2HA GLY 75 HA1 GLY 75 -11.702 -9.762 3.107 183 H MET 76 HN MET 76 -10.549 -7.084 2.338 184 HA MET 76 HA MET 76 -7.949 -8.082 1.939 185 1HB MET 76 HB1 MET 76 -8.924 -5.253 1.292 186 2HB MET 76 HB2 MET 76 -7.553 -5.872 0.767 187 1HG MET 76 HG1 MET 76 -8.329 -7.744 -0.523 188 2HG MET 76 HG2 MET 76 -9.938 -7.583 0.021 189 1HE MET 76 HE3 MET 76 -10.869 -7.571 -2.288 190 2HE MET 76 HE1 MET 76 -10.802 -6.266 -3.500 191 3HE MET 76 HE2 MET 76 -9.428 -7.423 -3.343 192 H SER 77 HN SER 77 -5.984 -7.167 2.575 193 HA SER 77 HA SER 77 -5.861 -4.747 4.128 194 1HB SER 77 HB1 SER 77 -5.423 -7.315 5.640 195 2HB SER 77 HB2 SER 77 -4.685 -5.739 6.001 196 HG SER 77 HG1 SER 77 -7.453 -5.786 5.571 197 H LEU 78 HN LEU 78 -4.129 -3.980 3.694 198 HA LEU 78 HA LEU 78 -2.388 -3.635 2.268 199 1HB LEU 78 HB1 LEU 78 -1.933 -4.798 4.959 200 2HB LEU 78 HB2 LEU 78 -0.566 -4.996 3.966 201 HG LEU 78 HG LEU 78 -0.289 -2.898 5.127 202 1HD1 LEU 78 HD23 LEU 78 0.283 -3.259 2.484 203 2HD1 LEU 78 HD21 LEU 78 -0.926 -1.991 2.308 204 3HD1 LEU 78 HD22 LEU 78 0.333 -1.499 3.325 205 1HD2 LEU 78 HD13 LEU 78 -2.776 -2.128 3.550 206 2HD2 LEU 78 HD11 LEU 78 -2.420 -1.850 5.306 207 3HD2 LEU 78 HD12 LEU 78 -1.529 -0.913 4.051 208 H HIS 79 HN HSP 79 -1.549 -6.827 3.503 209 HA HIS 79 HA HSP 79 -0.125 -7.417 1.118 210 1HB HIS 79 HB1 HSP 79 -0.669 -8.837 3.693 211 2HB HIS 79 HB2 HSP 79 -0.888 -9.961 2.347 212 HD1 HIS 79 HD1 HSP 79 1.447 -8.537 0.572 213 HD2 HIS 79 HD2 HSP 79 1.824 -9.924 4.497 214 HE1 HIS 79 HE1 HSP 79 3.919 -8.749 1.131 215 HE2 HIS 79 HE2 HSP 79 4.071 -9.827 3.352 216 H ASP 80 HN ASP 80 -3.366 -8.391 2.409 217 HA ASP 80 HA ASP 80 -3.901 -9.809 -0.066 218 1HB ASP 80 HB1 ASP 80 -5.701 -9.179 2.330 219 2HB ASP 80 HB2 ASP 80 -6.091 -10.292 0.948 220 H CYS 81 HN CYS 81 -3.838 -6.574 0.867 221 HA CYS 81 HA CYS 81 -6.164 -5.916 -0.815 222 1HB CYS 81 HB1 CYS 81 -5.516 -4.968 1.723 223 2HB CYS 81 HB2 CYS 81 -4.642 -3.843 0.767 224 HG1 CYS 81 HG1 CYS 81 -6.388 -3.257 -1.109 225 H LEU 82 HN LEU 82 -2.722 -5.828 -0.593 226 HA LEU 82 HA LEU 82 -2.405 -4.175 -2.989 227 1HB LEU 82 HB1 LEU 82 -0.502 -5.677 -1.065 228 2HB LEU 82 HB2 LEU 82 0.109 -4.866 -2.424 229 HG LEU 82 HG LEU 82 -0.587 -3.937 0.185 230 1HD1 LEU 82 HD11 LEU 82 1.382 -3.032 -1.303 231 2HD1 LEU 82 HD12 LEU 82 0.155 -2.212 -2.323 232 3HD1 LEU 82 HD13 LEU 82 0.391 -1.684 -0.605 233 1HD2 LEU 82 HD21 LEU 82 -2.403 -2.634 -1.779 234 2HD2 LEU 82 HD22 LEU 82 -2.727 -3.418 -0.177 235 3HD2 LEU 82 HD23 LEU 82 -1.855 -1.863 -0.209 236 H MET 83 HN MET 83 -2.049 -7.452 -1.830 237 HA MET 83 HA MET 83 -0.738 -8.786 -3.899 238 1HB MET 83 HB1 MET 83 -1.634 -9.974 -1.977 239 2HB MET 83 HB2 MET 83 -3.223 -9.288 -2.182 240 1HG MET 83 HG1 MET 83 -3.515 -11.447 -2.843 241 2HG MET 83 HG2 MET 83 -3.643 -10.490 -4.278 242 1HE MET 83 HE2 MET 83 -3.253 -12.902 -5.625 243 2HE MET 83 HE3 MET 83 -1.815 -13.956 -5.431 244 3HE MET 83 HE1 MET 83 -2.997 -13.798 -4.092 245 H LYS 84 HN LYS 84 -4.063 -7.393 -3.781 246 HA LYS 84 HA LYS 84 -5.156 -7.922 -6.274 247 1HB LYS 84 HB1 LYS 84 -5.814 -6.718 -4.145 248 2HB LYS 84 HB2 LYS 84 -4.677 -5.457 -4.536 249 1HG LYS 84 HG1 LYS 84 -5.994 -4.820 -6.479 250 2HG LYS 84 HG2 LYS 84 -6.901 -6.347 -6.470 251 1HD LYS 84 HD1 LYS 84 -7.602 -5.714 -4.076 252 2HD LYS 84 HD2 LYS 84 -6.876 -4.260 -4.230 253 1HE LYS 84 HE1 LYS 84 -8.413 -3.497 -6.172 254 2HE LYS 84 HE2 LYS 84 -9.092 -5.172 -6.286 255 1HZ LYS 84 HZ2 LYS 84 -9.948 -4.917 -4.059 256 2HZ LYS 84 HZ3 LYS 84 -9.340 -3.362 -3.935 257 3HZ LYS 84 HZ1 LYS 84 -10.551 -3.712 -5.104 258 H ALA 85 HN ALA 85 -3.156 -5.077 -5.318 259 HA ALA 85 HA ALA 85 -3.069 -4.019 -7.948 260 1HB ALA 85 HB2 ALA 85 -2.519 -2.944 -5.560 261 2HB ALA 85 HB3 ALA 85 -0.950 -3.860 -5.614 262 3HB ALA 85 HB1 ALA 85 -1.259 -2.574 -6.822 263 H LEU 86 HN LEU 86 -0.718 -6.046 -6.150 264 HA LEU 86 HA LEU 86 1.252 -5.814 -8.298 265 1HB LEU 86 HB1 LEU 86 1.046 -7.675 -5.875 266 2HB LEU 86 HB2 LEU 86 2.437 -7.441 -6.728 267 HG LEU 86 HG LEU 86 0.886 -5.014 -5.536 268 1HD1 LEU 86 HD22 LEU 86 2.402 -6.826 -3.808 269 2HD1 LEU 86 HD23 LEU 86 1.786 -5.134 -3.429 270 3HD1 LEU 86 HD21 LEU 86 0.644 -6.429 -3.869 271 1HD2 LEU 86 HD12 LEU 86 2.712 -4.490 -7.033 272 2HD2 LEU 86 HD13 LEU 86 2.807 -3.776 -5.402 273 3HD2 LEU 86 HD11 LEU 86 3.872 -5.207 -5.829 274 H LYS 87 HN LYS 87 -1.011 -8.109 -7.048 275 HA LYS 87 HA LYS 87 -0.571 -10.100 -8.684 276 1HB LYS 87 HB1 LYS 87 -3.150 -9.028 -7.584 277 2HB LYS 87 HB2 LYS 87 -3.523 -9.296 -9.121 278 1HG LYS 87 HG1 LYS 87 -2.038 -11.653 -7.923 279 2HG LYS 87 HG2 LYS 87 -3.547 -11.223 -7.117 280 1HD LYS 87 HD1 LYS 87 -4.742 -11.371 -9.380 281 2HD LYS 87 HD2 LYS 87 -3.224 -11.777 -10.149 282 1HE LYS 87 HE1 LYS 87 -3.058 -13.902 -8.758 283 2HE LYS 87 HE2 LYS 87 -4.629 -13.475 -7.960 284 1HZ LYS 87 HZ3 LYS 87 -4.197 -13.901 -10.865 285 2HZ LYS 87 HZ1 LYS 87 -4.912 -14.994 -9.780 286 3HZ LYS 87 HZ2 LYS 87 -5.666 -13.510 -10.116 287 H VAL 88 HN VAL 88 -2.632 -7.462 -9.691 288 HA VAL 88 HA VAL 88 -2.883 -7.802 -12.329 289 HB VAL 88 HB VAL 88 -1.938 -5.120 -11.098 290 1HG1 VAL 88 HG13 VAL 88 -3.628 -5.539 -13.578 291 2HG1 VAL 88 HG11 VAL 88 -3.257 -3.970 -12.750 292 3HG1 VAL 88 HG12 VAL 88 -1.915 -4.892 -13.456 293 1HG2 VAL 88 HG22 VAL 88 -4.708 -6.363 -11.046 294 2HG2 VAL 88 HG23 VAL 88 -3.687 -5.680 -9.705 295 3HG2 VAL 88 HG21 VAL 88 -4.393 -4.575 -10.892 296 H ARG 89 HN ARG 89 0.013 -6.579 -10.709 297 HA ARG 89 HA ARG 89 1.368 -6.056 -13.167 298 1HB ARG 89 HB1 ARG 89 2.343 -6.095 -10.253 299 2HB ARG 89 HB2 ARG 89 3.149 -5.286 -11.576 300 1HG ARG 89 HG1 ARG 89 0.256 -4.497 -11.268 301 2HG ARG 89 HG2 ARG 89 1.053 -4.333 -9.788 302 1HD ARG 89 HD1 ARG 89 2.830 -2.896 -11.340 303 2HD ARG 89 HD2 ARG 89 1.591 -3.153 -12.644 304 HE ARG 89 HE ARG 89 0.856 -1.850 -9.996 305 1HH1 ARG 89 HH22 ARG 89 1.853 -1.357 -13.298 306 2HH1 ARG 89 HH21 ARG 89 1.426 0.324 -13.283 307 1HH2 ARG 89 HH12 ARG 89 -0.197 0.176 -10.167 308 2HH2 ARG 89 HH11 ARG 89 0.270 1.201 -11.481 309 H GLY 90 HN GLY 90 1.504 -8.500 -10.562 310 1HA GLY 90 HA2 GLY 90 2.232 -10.679 -10.930 311 2HA GLY 90 HA1 GLY 90 3.266 -10.152 -12.299 312 H LEU 91 HN LEU 91 2.813 -8.616 -9.076 313 HA LEU 91 HA LEU 91 5.767 -8.797 -8.789 314 1HB LEU 91 HB1 LEU 91 3.703 -6.698 -7.965 315 2HB LEU 91 HB2 LEU 91 5.258 -6.818 -7.126 316 HG LEU 91 HG LEU 91 4.515 -5.551 -9.662 317 1HD1 LEU 91 HD23 LEU 91 5.873 -4.481 -7.880 318 2HD1 LEU 91 HD21 LEU 91 7.228 -5.621 -8.237 319 3HD1 LEU 91 HD22 LEU 91 6.682 -4.445 -9.493 320 1HD2 LEU 91 HD13 LEU 91 6.791 -7.555 -10.007 321 2HD2 LEU 91 HD11 LEU 91 5.178 -7.505 -10.888 322 3HD2 LEU 91 HD12 LEU 91 6.376 -6.206 -11.111 323 H GLN 92 HN GLN 92 6.447 -8.663 -6.404 324 HA GLN 92 HA GLN 92 4.647 -10.431 -4.836 325 1HB GLN 92 HB1 GLN 92 7.681 -10.300 -4.958 326 2HB GLN 92 HB2 GLN 92 6.827 -11.043 -3.637 327 1HG GLN 92 HG1 GLN 92 5.656 -12.146 -6.089 328 2HG GLN 92 HG2 GLN 92 7.345 -11.944 -6.474 329 1HE2 GLN 92 HE21 GLN 92 6.590 -14.855 -3.682 330 2HE2 GLN 92 HE22 GLN 92 5.398 -13.693 -3.867 331 HA PRO 93 HA PRO 93 5.221 -6.950 -2.231 332 1HB PRO 93 HB1 PRO 93 3.231 -7.572 -0.447 333 2HB PRO 93 HB2 PRO 93 2.972 -6.705 -1.920 334 1HG PRO 93 HG1 PRO 93 2.335 -9.539 -1.263 335 2HG PRO 93 HG2 PRO 93 1.548 -8.480 -2.420 336 1HD PRO 93 HD1 PRO 93 3.298 -10.532 -3.078 337 2HD PRO 93 HD2 PRO 93 3.003 -9.154 -4.112 338 H GLU 94 HN GLU 94 5.343 -10.368 -1.468 339 HA GLU 94 HA GLU 94 5.554 -10.097 1.309 340 1HB GLU 94 HB1 GLU 94 6.818 -12.376 -0.291 341 2HB GLU 94 HB2 GLU 94 6.310 -12.410 1.404 342 1HG GLU 94 HG1 GLU 94 4.427 -13.426 0.599 343 2HG GLU 94 HG2 GLU 94 3.882 -11.733 0.264 344 H CYS 95 HN CYS 95 7.841 -9.412 -1.203 345 HA CYS 95 HA CYS 95 10.084 -9.741 0.682 346 1HB CYS 95 HB1 CYS 95 9.937 -10.693 -1.824 347 2HB CYS 95 HB2 CYS 95 10.315 -9.026 -2.272 348 HG1 CYS 95 HG1 CYS 95 12.450 -8.867 -0.637 349 H CYS 96 HN CYS 96 7.862 -7.442 0.181 350 HA CYS 96 HA CYS 96 9.853 -5.252 -0.032 351 1HB CYS 96 HB1 CYS 96 6.905 -5.309 -0.826 352 2HB CYS 96 HB2 CYS 96 8.009 -3.973 -1.013 353 HG1 CYS 96 HG1 CYS 96 7.675 -6.651 -2.764 354 H ALA 97 HN ALA 97 8.939 -3.181 0.891 355 HA ALA 97 HA ALA 97 7.384 -3.720 3.337 356 1HB ALA 97 HB1 ALA 97 9.660 -2.956 4.067 357 2HB ALA 97 HB2 ALA 97 9.342 -1.386 3.165 358 3HB ALA 97 HB3 ALA 97 8.309 -1.853 4.523 359 H VAL 98 HN VAL 98 5.556 -2.572 3.425 360 HA VAL 98 HA VAL 98 5.073 -0.677 1.275 361 HB VAL 98 HB VAL 98 2.805 -0.726 3.080 362 1HG1 VAL 98 HG12 VAL 98 2.746 -0.371 0.610 363 2HG1 VAL 98 HG13 VAL 98 2.865 -2.193 0.450 364 3HG1 VAL 98 HG11 VAL 98 1.498 -1.398 1.322 365 1HG2 VAL 98 HG21 VAL 98 3.919 -2.750 4.035 366 2HG2 VAL 98 HG22 VAL 98 2.292 -2.762 3.711 367 3HG2 VAL 98 HG23 VAL 98 3.437 -3.560 2.443 368 H PHE 99 HN PHE 99 3.701 1.271 1.939 369 HA PHE 99 HA PHE 99 4.201 2.346 4.489 370 1HB PHE 99 HB1 PHE 99 5.633 3.387 1.871 371 2HB PHE 99 HB2 PHE 99 5.368 4.478 3.170 372 HD1 PHE 99 HD1 PHE 99 7.040 1.410 1.911 373 HD2 PHE 99 HD2 PHE 99 6.899 4.036 5.295 374 HE1 PHE 99 HE1 PHE 99 9.316 0.803 2.550 375 HE2 PHE 99 HE2 PHE 99 9.184 3.553 5.777 376 HZ PHE 99 HZ PHE 99 10.482 2.292 4.116 377 H ARG 100 HN ARG 100 3.258 4.573 4.621 378 HA ARG 100 HA ARG 100 1.623 5.291 2.267 379 1HB ARG 100 HB1 ARG 100 -0.004 5.829 3.215 380 2HB ARG 100 HB2 ARG 100 0.502 4.885 4.465 381 1HG ARG 100 HG1 ARG 100 1.869 7.441 4.920 382 2HG ARG 100 HG2 ARG 100 0.245 7.853 4.343 383 1HD ARG 100 HD1 ARG 100 -0.316 5.912 6.275 384 2HD ARG 100 HD2 ARG 100 1.291 6.402 6.824 385 HE ARG 100 HE ARG 100 -1.310 8.108 6.390 386 1HH1 ARG 100 HH22 ARG 100 2.087 8.535 6.498 387 2HH1 ARG 100 HH21 ARG 100 1.980 10.140 7.149 388 1HH2 ARG 100 HH12 ARG 100 -1.531 10.082 7.372 389 2HH2 ARG 100 HH11 ARG 100 -0.102 11.038 7.652 390 H LEU 101 HN LEU 101 2.005 7.390 1.470 391 HA LEU 101 HA LEU 101 4.760 7.949 1.627 392 1HB LEU 101 HB1 LEU 101 2.401 9.562 0.363 393 2HB LEU 101 HB2 LEU 101 4.117 9.937 0.050 394 HG LEU 101 HG LEU 101 2.681 7.329 -0.705 395 1HD1 LEU 101 HD23 LEU 101 2.132 9.375 -2.093 396 2HD1 LEU 101 HD21 LEU 101 3.866 9.416 -2.579 397 3HD1 LEU 101 HD22 LEU 101 2.866 7.963 -2.968 398 1HD2 LEU 101 HD12 LEU 101 5.602 8.051 -0.656 399 2HD2 LEU 101 HD13 LEU 101 4.759 6.468 -0.428 400 3HD2 LEU 101 HD11 LEU 101 4.985 7.206 -2.096 401 H LEU 102 HN LEU 102 5.289 10.561 1.596 402 HA LEU 102 HA LEU 102 4.995 11.187 4.344 403 1HB LEU 102 HB1 LEU 102 6.322 13.293 3.402 404 2HB LEU 102 HB2 LEU 102 7.089 11.732 3.846 405 HG LEU 102 HG LEU 102 7.039 10.968 1.517 406 1HD1 LEU 102 HD23 LEU 102 4.976 12.296 0.816 407 2HD1 LEU 102 HD21 LEU 102 5.981 13.759 0.781 408 3HD1 LEU 102 HD22 LEU 102 6.381 12.375 -0.337 409 1HD2 LEU 102 HD13 LEU 102 9.016 12.133 2.328 410 2HD2 LEU 102 HD11 LEU 102 8.721 12.405 0.572 411 3HD2 LEU 102 HD12 LEU 102 8.331 13.711 1.763 412 H HIS 103 HN HSP 103 2.640 11.551 4.482 413 HA HIS 103 HA HSP 103 1.741 13.979 3.136 414 1HB HIS 103 HB1 HSP 103 0.363 11.998 4.991 415 2HB HIS 103 HB2 HSP 103 -0.391 13.538 4.446 416 HD1 HIS 103 HD1 HSP 103 -1.896 11.150 3.618 417 HD2 HIS 103 HD2 HSP 103 1.173 12.810 1.255 418 HE1 HIS 103 HE1 HSP 103 -2.422 10.642 1.204 419 HE2 HIS 103 HE2 HSP 103 -0.608 11.673 -0.203 420 H GLU 104 HN GLU 104 3.478 13.076 5.969 421 HA GLU 104 HA GLU 104 3.296 15.862 6.917 422 1HB GLU 104 HB1 GLU 104 2.794 15.504 9.103 423 2HB GLU 104 HB2 GLU 104 1.443 15.023 8.072 424 1HG GLU 104 HG1 GLU 104 3.513 13.034 9.254 425 2HG GLU 104 HG2 GLU 104 1.947 13.471 10.007 426 H HIS 105 HN HSP 105 5.343 14.184 5.524 427 HA HIS 105 HA HSP 105 7.354 14.473 7.603 428 1HB HIS 105 HB1 HSP 105 7.988 12.107 5.938 429 2HB HIS 105 HB2 HSP 105 8.223 12.365 7.676 430 HD1 HIS 105 HD1 HSP 105 5.718 12.099 8.992 431 HD2 HIS 105 HD2 HSP 105 6.380 10.067 5.393 432 HE1 HIS 105 HE1 HSP 105 4.205 10.061 8.985 433 HE2 HIS 105 HE2 HSP 105 4.692 8.835 6.833 434 H LYS 106 HN LYS 106 9.626 14.183 6.358 435 HA LYS 106 HA LYS 106 9.250 14.706 3.495 436 1HB LYS 106 HB1 LYS 106 10.680 16.353 5.586 437 2HB LYS 106 HB2 LYS 106 11.547 16.096 4.075 438 1HG LYS 106 HG1 LYS 106 8.653 17.170 4.183 439 2HG LYS 106 HG2 LYS 106 10.087 18.207 4.247 440 1HD LYS 106 HD1 LYS 106 10.852 17.361 2.010 441 2HD LYS 106 HD2 LYS 106 9.443 16.277 1.932 442 1HE LYS 106 HE1 LYS 106 8.919 18.210 0.585 443 2HE LYS 106 HE2 LYS 106 7.898 18.298 2.076 444 1HZ LYS 106 HZ1 LYS 106 10.473 19.709 1.619 445 2HZ LYS 106 HZ2 LYS 106 8.920 20.393 1.523 446 3HZ LYS 106 HZ3 LYS 106 9.505 19.813 3.008 447 H GLY 107 HN GLY 107 10.873 13.821 2.226 448 1HA GLY 107 HA2 GLY 107 12.758 12.705 1.790 449 2HA GLY 107 HA1 GLY 107 13.112 12.537 3.535 450 H LYS 108 HN LYS 108 10.870 11.194 4.545 451 HA LYS 108 HA LYS 108 11.383 8.597 3.239 452 1HB LYS 108 HB1 LYS 108 10.714 9.235 6.138 453 2HB LYS 108 HB2 LYS 108 11.189 7.627 5.428 454 1HG LYS 108 HG1 LYS 108 12.977 10.096 5.694 455 2HG LYS 108 HG2 LYS 108 13.039 8.595 6.648 456 1HD LYS 108 HD1 LYS 108 13.519 7.282 4.525 457 2HD LYS 108 HD2 LYS 108 13.600 8.823 3.633 458 1HE LYS 108 HE1 LYS 108 15.483 9.584 5.139 459 2HE LYS 108 HE2 LYS 108 15.423 7.981 5.976 460 1HZ LYS 108 HZ1 LYS 108 15.891 8.426 3.077 461 2HZ LYS 108 HZ2 LYS 108 17.071 8.051 4.240 462 3HZ LYS 108 HZ3 LYS 108 15.853 6.927 3.868 463 H LYS 109 HN LYS 109 9.506 7.389 5.037 464 HA LYS 109 HA LYS 109 6.840 8.304 4.162 465 1HB LYS 109 HB1 LYS 109 8.472 5.965 3.284 466 2HB LYS 109 HB2 LYS 109 7.192 5.475 3.652 467 1HG LYS 109 HG1 LYS 109 6.994 7.976 1.856 468 2HG LYS 109 HG2 LYS 109 8.536 7.281 1.592 469 1HD LYS 109 HD1 LYS 109 5.992 5.626 1.186 470 2HD LYS 109 HD2 LYS 109 6.860 6.432 -0.088 471 1HE LYS 109 HE1 LYS 109 8.231 4.408 1.774 472 2HE LYS 109 HE2 LYS 109 7.418 3.933 0.228 473 1HZ LYS 109 HZ1 LYS 109 8.862 5.546 -0.893 474 2HZ LYS 109 HZ2 LYS 109 9.695 5.803 0.570 475 3HZ LYS 109 HZ3 LYS 109 9.709 4.266 -0.190 476 H ALA 110 HN ALA 110 5.303 6.631 5.112 477 HA ALA 110 HA ALA 110 6.133 6.209 7.943 478 1HB ALA 110 HB3 ALA 110 3.344 6.818 6.911 479 2HB ALA 110 HB1 ALA 110 3.673 5.978 8.488 480 3HB ALA 110 HB2 ALA 110 4.268 7.635 8.250 481 H ARG 111 HN ARG 111 6.232 3.939 8.512 482 HA ARG 111 HA ARG 111 5.905 2.354 6.124 483 1HB ARG 111 HB1 ARG 111 8.071 2.814 7.499 484 2HB ARG 111 HB2 ARG 111 7.298 1.745 8.733 485 1HG ARG 111 HG1 ARG 111 7.570 0.826 5.840 486 2HG ARG 111 HG2 ARG 111 8.977 0.833 6.905 487 1HD ARG 111 HD1 ARG 111 7.013 -0.295 8.546 488 2HD ARG 111 HD2 ARG 111 6.483 -0.856 6.954 489 HE ARG 111 HE ARG 111 9.413 -1.260 7.689 490 1HH1 ARG 111 HH22 ARG 111 6.238 -2.684 7.689 491 2HH1 ARG 111 HH21 ARG 111 6.872 -4.291 7.862 492 1HH2 ARG 111 HH12 ARG 111 10.240 -3.344 7.289 493 2HH2 ARG 111 HH11 ARG 111 9.162 -4.674 7.650 494 H LEU 112 HN LEU 112 4.646 0.873 6.080 495 HA LEU 112 HA LEU 112 2.638 0.487 8.032 496 1HB LEU 112 HB1 LEU 112 3.138 -0.223 5.099 497 2HB LEU 112 HB2 LEU 112 1.710 -0.906 5.938 498 HG LEU 112 HG LEU 112 0.874 1.264 6.410 499 1HD1 LEU 112 HD12 LEU 112 3.210 2.637 6.081 500 2HD1 LEU 112 HD13 LEU 112 1.535 3.331 6.135 501 3HD1 LEU 112 HD11 LEU 112 2.147 2.287 7.474 502 1HD2 LEU 112 HD21 LEU 112 1.697 1.001 3.495 503 2HD2 LEU 112 HD22 LEU 112 0.154 0.473 4.253 504 3HD2 LEU 112 HD23 LEU 112 0.511 2.233 4.104 505 H ASP 113 HN ASP 113 1.487 -1.551 8.124 506 HA ASP 113 HA ASP 113 3.388 -3.757 8.510 507 1HB ASP 113 HB1 ASP 113 1.646 -3.167 10.387 508 2HB ASP 113 HB2 ASP 113 0.456 -3.983 9.279 509 H TRP 114 HN TRP 114 2.971 -5.672 7.195 510 HA TRP 114 HA TRP 114 1.390 -5.399 5.212 511 1HB TRP 114 HB1 TRP 114 3.141 -7.607 6.485 512 2HB TRP 114 HB2 TRP 114 1.999 -8.264 5.304 513 HD1 TRP 114 HD1 TRP 114 5.421 -7.857 4.893 514 HE1 TRP 114 HE1 TRP 114 6.132 -6.674 2.691 515 HE3 TRP 114 HE3 TRP 114 1.001 -6.285 3.693 516 HZ2 TRP 114 HZ2 TRP 114 4.586 -5.565 0.383 517 HZ3 TRP 114 HZ3 TRP 114 0.497 -5.189 1.492 518 HH2 TRP 114 HH2 TRP 114 2.165 -5.107 -0.192 519 H ASN 115 HN ASN 115 0.469 -6.394 8.299 520 HA ASN 115 HA ASN 115 -2.024 -7.526 7.203 521 1HB ASN 115 HB1 ASN 115 -0.582 -7.913 9.625 522 2HB ASN 115 HB2 ASN 115 -1.777 -6.773 10.132 523 1HD2 ASN 115 HD21 ASN 115 -4.620 -8.927 9.386 524 2HD2 ASN 115 HD22 ASN 115 -4.114 -7.268 9.264 525 H THR 116 HN THR 116 -0.920 -4.607 6.854 526 HA THR 116 HA THR 116 -2.390 -3.342 8.803 527 HB THR 116 HB THR 116 -0.193 -2.464 7.237 528 HG1 THR 116 HG1 THR 116 -1.256 -1.359 9.495 529 1HG2 THR 116 HG22 THR 116 -2.699 -0.612 7.726 530 2HG2 THR 116 HG23 THR 116 -1.055 0.054 7.908 531 3HG2 THR 116 HG21 THR 116 -1.456 -0.499 6.319 532 H ASP 117 HN ASP 117 -4.244 -1.999 8.500 533 HA ASP 117 HA ASP 117 -6.305 -3.286 7.287 534 1HB ASP 117 HB1 ASP 117 -6.567 -0.407 7.729 535 2HB ASP 117 HB2 ASP 117 -7.715 -1.820 8.004 536 H ALA 118 HN ALA 118 -4.231 -1.318 5.566 537 HA ALA 118 HA ALA 118 -4.389 0.175 3.797 538 1HB ALA 118 HB3 ALA 118 -4.832 -2.187 2.813 539 2HB ALA 118 HB1 ALA 118 -6.563 -1.779 2.849 540 3HB ALA 118 HB2 ALA 118 -5.434 -0.783 1.838 541 H ALA 119 HN ALA 119 -7.406 -0.709 5.326 542 HA ALA 119 HA ALA 119 -8.984 1.524 4.329 543 1HB ALA 119 HB3 ALA 119 -8.685 -0.810 6.437 544 2HB ALA 119 HB1 ALA 119 -10.139 0.318 6.564 545 3HB ALA 119 HB2 ALA 119 -9.879 -0.727 5.116 546 H SER 120 HN SER 120 -6.504 1.075 6.791 547 HA SER 120 HA SER 120 -7.464 3.394 8.307 548 1HB SER 120 HB1 SER 120 -4.913 1.725 8.569 549 2HB SER 120 HB2 SER 120 -5.398 3.091 9.651 550 HG SER 120 HG1 SER 120 -5.979 0.647 10.004 551 H LEU 121 HN LEU 121 -5.738 2.666 5.458 552 HA LEU 121 HA LEU 121 -4.093 5.142 5.642 553 1HB LEU 121 HB1 LEU 121 -3.901 2.815 3.646 554 2HB LEU 121 HB2 LEU 121 -2.791 4.145 3.786 555 HG LEU 121 HG LEU 121 -1.620 2.462 4.941 556 1HD1 LEU 121 HD21 LEU 121 -1.871 4.447 6.455 557 2HD1 LEU 121 HD22 LEU 121 -3.337 3.744 7.140 558 3HD1 LEU 121 HD23 LEU 121 -1.748 2.875 7.385 559 1HD2 LEU 121 HD11 LEU 121 -4.370 1.443 5.644 560 2HD2 LEU 121 HD12 LEU 121 -2.880 0.551 5.187 561 3HD2 LEU 121 HD13 LEU 121 -3.146 1.218 6.890 562 H ILE 122 HN ILE 122 -6.823 3.946 4.821 563 HA ILE 122 HA ILE 122 -7.357 4.614 2.314 564 HB ILE 122 HB ILE 122 -9.006 3.709 4.201 565 1HG1 ILE 122 HG11 ILE 122 -10.883 4.005 2.440 566 2HG1 ILE 122 HG12 ILE 122 -9.470 4.505 1.403 567 1HG2 ILE 122 HG22 ILE 122 -9.577 5.948 5.137 568 2HG2 ILE 122 HG23 ILE 122 -10.261 6.398 3.502 569 3HG2 ILE 122 HG21 ILE 122 -11.005 5.080 4.429 570 1HD1 ILE 122 HD1 ILE 122 -8.349 2.328 2.352 571 2HD1 ILE 122 HD2 ILE 122 -10.140 1.815 2.293 572 3HD1 ILE 122 HD3 ILE 122 -9.322 2.411 0.849 573 H GLY 123 HN GLY 123 -8.011 6.259 1.132 574 1HA GLY 123 HA2 GLY 123 -8.037 8.400 0.371 575 2HA GLY 123 HA1 GLY 123 -8.302 8.885 2.075 576 H GLU 124 HN GLU 124 -5.387 7.034 1.359 577 HA GLU 124 HA GLU 124 -3.829 9.549 1.513 578 1HB GLU 124 HB1 GLU 124 -2.948 6.801 2.449 579 2HB GLU 124 HB2 GLU 124 -2.116 8.351 2.679 580 1HG GLU 124 HG1 GLU 124 -4.946 8.181 3.785 581 2HG GLU 124 HG2 GLU 124 -3.775 7.063 4.511 582 H GLU 125 HN GLU 125 -1.377 8.191 1.037 583 HA GLU 125 HA GLU 125 -1.718 6.995 -1.637 584 1HB GLU 125 HB1 GLU 125 0.133 9.314 -1.010 585 2HB GLU 125 HB2 GLU 125 0.427 8.166 -2.338 586 1HG GLU 125 HG1 GLU 125 -1.165 8.869 -3.723 587 2HG GLU 125 HG2 GLU 125 -2.338 9.178 -2.432 588 H LEU 126 HN LEU 126 -0.678 5.125 -1.615 589 HA LEU 126 HA LEU 126 1.322 4.787 0.376 590 1HB LEU 126 HB1 LEU 126 -0.411 2.881 -1.273 591 2HB LEU 126 HB2 LEU 126 1.088 2.241 -0.620 592 HG LEU 126 HG LEU 126 0.114 3.446 1.646 593 1HD1 LEU 126 HD21 LEU 126 -2.349 2.845 0.156 594 2HD1 LEU 126 HD22 LEU 126 -2.204 2.875 1.960 595 3HD1 LEU 126 HD23 LEU 126 -1.765 4.344 1.034 596 1HD2 LEU 126 HD12 LEU 126 -0.551 0.600 0.625 597 2HD2 LEU 126 HD13 LEU 126 0.964 1.084 1.479 598 3HD2 LEU 126 HD11 LEU 126 -0.642 1.141 2.336 599 H GLN 127 HN GLN 127 3.124 3.167 -0.163 600 HA GLN 127 HA GLN 127 3.850 3.038 -2.921 601 1HB GLN 127 HB1 GLN 127 4.852 5.304 -2.230 602 2HB GLN 127 HB2 GLN 127 5.859 4.405 -1.069 603 1HG GLN 127 HG1 GLN 127 6.260 3.084 -3.592 604 2HG GLN 127 HG2 GLN 127 6.045 4.816 -4.046 605 1HE2 GLN 127 HE21 GLN 127 9.581 3.846 -2.475 606 2HE2 GLN 127 HE22 GLN 127 8.407 2.644 -2.870 607 H VAL 128 HN VAL 128 5.669 1.460 -3.146 608 HA VAL 128 HA VAL 128 5.957 -0.139 -0.662 609 HB VAL 128 HB VAL 128 5.725 -1.033 -3.552 610 1HG1 VAL 128 HG12 VAL 128 6.647 -2.635 -1.093 611 2HG1 VAL 128 HG13 VAL 128 6.176 -3.342 -2.690 612 3HG1 VAL 128 HG11 VAL 128 7.619 -2.290 -2.603 613 1HG2 VAL 128 HG22 VAL 128 3.599 -0.826 -2.188 614 2HG2 VAL 128 HG23 VAL 128 3.975 -2.474 -2.784 615 3HG2 VAL 128 HG21 VAL 128 4.286 -2.056 -1.039 616 H ASP 129 HN ASP 129 8.075 -0.952 -0.260 617 HA ASP 129 HA ASP 129 10.143 0.027 -2.063 618 1HB ASP 129 HB1 ASP 129 9.430 1.434 0.350 619 2HB ASP 129 HB2 ASP 129 10.901 0.480 0.787 620 H PHE 130 HN PHE 130 12.328 -0.639 -0.294 621 HA PHE 130 HA PHE 130 12.325 -3.404 -0.677 622 1HB PHE 130 HB1 PHE 130 14.132 -1.640 1.092 623 2HB PHE 130 HB2 PHE 130 14.465 -3.363 0.694 624 HD1 PHE 130 HD2 PHE 130 14.915 -4.068 -1.638 625 HD2 PHE 130 HD1 PHE 130 14.404 0.069 -0.654 626 HE1 PHE 130 HE2 PHE 130 15.882 -3.427 -3.791 627 HE2 PHE 130 HE1 PHE 130 15.365 0.686 -2.816 628 HZ PHE 130 HZ PHE 130 16.108 -1.051 -4.392 629 H LEU 131 HN LEU 131 12.740 -4.996 1.114 630 HA LEU 131 HA LEU 131 10.556 -4.975 2.657 631 1HB LEU 131 HB1 LEU 131 12.153 -6.933 3.912 632 2HB LEU 131 HB2 LEU 131 11.149 -7.218 2.403 633 HG LEU 131 HG LEU 131 13.128 -6.673 1.025 634 1HD1 LEU 131 HD23 LEU 131 14.569 -6.545 3.761 635 2HD1 LEU 131 HD21 LEU 131 15.404 -6.777 2.176 636 3HD1 LEU 131 HD22 LEU 131 14.514 -5.258 2.485 637 1HD2 LEU 131 HD12 LEU 131 12.563 -9.009 1.640 638 2HD2 LEU 131 HD13 LEU 131 14.316 -8.708 1.303 639 3HD2 LEU 131 HD11 LEU 131 13.729 -8.900 3.004 640 H ASP 132 HN ASP 132 13.515 -3.727 3.329 641 HA ASP 132 HA ASP 132 13.648 -3.830 6.039 642 1HB ASP 132 HB1 ASP 132 14.425 -1.270 4.520 643 2HB ASP 132 HB2 ASP 132 15.096 -1.857 6.107 No H/Q in entry = 643 Start of MODEL 28 1 1H SER 55 HT3 SER 55 -13.381 8.266 2.677 2 2H SER 55 HT2 SER 55 -11.733 8.101 2.949 3 3H SER 55 HT1 SER 55 -12.314 9.464 2.098 4 HA SER 55 HA SER 55 -13.056 8.080 0.320 5 1HB SER 55 HB1 SER 55 -10.532 8.926 0.602 6 2HB SER 55 HB2 SER 55 -10.173 7.198 0.957 7 HG SER 55 HG1 SER 55 -11.245 8.394 -1.383 8 H ASN 56 HN ASN 56 -12.441 5.867 -0.778 9 HA ASN 56 HA ASN 56 -12.154 3.743 1.235 10 1HB ASN 56 HB1 ASN 56 -14.094 3.504 -1.083 11 2HB ASN 56 HB2 ASN 56 -13.638 2.237 0.170 12 1HD2 ASN 56 HD21 ASN 56 -15.553 3.821 2.758 13 2HD2 ASN 56 HD22 ASN 56 -14.120 2.901 2.482 14 H THR 57 HN THR 57 -10.486 5.425 -0.704 15 HA THR 57 HA THR 57 -9.522 3.173 -2.373 16 HB THR 57 HB THR 57 -9.068 4.681 -4.210 17 HG1 THR 57 HG1 THR 57 -10.159 6.619 -2.419 18 1HG2 THR 57 HG21 THR 57 -11.432 3.765 -4.116 19 2HG2 THR 57 HG22 THR 57 -11.946 5.281 -3.284 20 3HG2 THR 57 HG23 THR 57 -11.292 5.355 -4.963 21 H ILE 58 HN ILE 58 -7.218 3.287 -2.822 22 HA ILE 58 HA ILE 58 -5.820 5.491 -1.604 23 HB ILE 58 HB ILE 58 -4.427 2.955 -0.957 24 1HG1 ILE 58 HG11 ILE 58 -6.882 3.526 0.715 25 2HG1 ILE 58 HG12 ILE 58 -6.730 2.208 -0.484 26 1HG2 ILE 58 HG21 ILE 58 -4.945 5.561 0.561 27 2HG2 ILE 58 HG22 ILE 58 -4.062 4.167 1.241 28 3HG2 ILE 58 HG23 ILE 58 -3.433 5.011 -0.241 29 1HD1 ILE 58 HD2 ILE 58 -4.696 1.331 0.723 30 2HD1 ILE 58 HD3 ILE 58 -5.035 2.528 2.041 31 3HD1 ILE 58 HD1 ILE 58 -6.240 1.252 1.657 32 H ARG 59 HN ARG 59 -3.407 5.425 -2.386 33 HA ARG 59 HA ARG 59 -3.462 4.129 -5.023 34 1HB ARG 59 HB1 ARG 59 -2.075 6.637 -3.996 35 2HB ARG 59 HB2 ARG 59 -1.883 5.949 -5.628 36 1HG ARG 59 HG1 ARG 59 -3.758 6.889 -6.368 37 2HG ARG 59 HG2 ARG 59 -4.719 6.157 -5.175 38 1HD ARG 59 HD1 ARG 59 -3.848 8.065 -3.504 39 2HD ARG 59 HD2 ARG 59 -3.394 8.924 -5.032 40 HE ARG 59 HE ARG 59 -5.774 8.756 -5.763 41 1HH1 ARG 59 HH22 ARG 59 -5.359 7.592 -2.461 42 2HH1 ARG 59 HH21 ARG 59 -7.013 7.078 -2.364 43 1HH2 ARG 59 HH12 ARG 59 -7.985 8.712 -5.282 44 2HH2 ARG 59 HH11 ARG 59 -8.510 7.744 -3.946 45 H VAL 60 HN VAL 60 -1.517 3.223 -5.782 46 HA VAL 60 HA VAL 60 0.449 2.680 -3.621 47 HB VAL 60 HB VAL 60 -0.306 0.587 -5.672 48 1HG1 VAL 60 HG13 VAL 60 1.915 0.385 -4.552 49 2HG1 VAL 60 HG11 VAL 60 1.082 0.343 -2.952 50 3HG1 VAL 60 HG12 VAL 60 0.786 -0.967 -4.166 51 1HG2 VAL 60 HG22 VAL 60 -1.487 0.839 -2.856 52 2HG2 VAL 60 HG23 VAL 60 -2.375 0.959 -4.422 53 3HG2 VAL 60 HG21 VAL 60 -1.602 -0.602 -3.940 54 H PHE 61 HN PHE 61 2.329 3.535 -4.245 55 HA PHE 61 HA PHE 61 2.806 3.839 -7.117 56 1HB PHE 61 HB1 PHE 61 3.922 5.075 -4.586 57 2HB PHE 61 HB2 PHE 61 4.919 5.100 -6.135 58 HD1 PHE 61 HD2 PHE 61 1.417 5.692 -4.778 59 HD2 PHE 61 HD1 PHE 61 4.476 6.997 -7.473 60 HE1 PHE 61 HE2 PHE 61 0.090 7.657 -5.338 61 HE2 PHE 61 HE1 PHE 61 3.167 9.013 -7.946 62 HZ PHE 61 HZ PHE 61 0.986 9.362 -6.857 63 H LEU 62 HN LEU 62 4.705 2.912 -8.176 64 HA LEU 62 HA LEU 62 5.316 0.426 -6.766 65 1HB LEU 62 HB1 LEU 62 6.027 1.461 -9.534 66 2HB LEU 62 HB2 LEU 62 6.754 0.015 -8.906 67 HG LEU 62 HG LEU 62 4.572 -0.285 -10.335 68 1HD1 LEU 62 HD13 LEU 62 5.915 -2.101 -9.324 69 2HD1 LEU 62 HD11 LEU 62 4.996 -1.899 -7.776 70 3HD1 LEU 62 HD12 LEU 62 4.139 -2.410 -9.278 71 1HD2 LEU 62 HD23 LEU 62 3.135 1.185 -8.813 72 2HD2 LEU 62 HD21 LEU 62 2.515 -0.492 -9.134 73 3HD2 LEU 62 HD22 LEU 62 3.280 -0.108 -7.564 74 HA PRO 63 HA PRO 63 9.269 1.864 -5.701 75 1HB PRO 63 HB1 PRO 63 10.453 -0.778 -6.253 76 2HB PRO 63 HB2 PRO 63 10.420 0.127 -4.774 77 1HG PRO 63 HG1 PRO 63 8.847 -2.121 -5.511 78 2HG PRO 63 HG2 PRO 63 8.559 -1.154 -4.126 79 1HD PRO 63 HD1 PRO 63 6.849 -1.314 -6.377 80 2HD PRO 63 HD2 PRO 63 6.723 -0.151 -5.114 81 H ASN 64 HN ASN 64 9.037 3.053 -7.805 82 HA ASN 64 HA ASN 64 11.351 2.800 -9.234 83 1HB ASN 64 HB1 ASN 64 9.368 0.930 -10.254 84 2HB ASN 64 HB2 ASN 64 9.354 2.307 -11.404 85 1HD2 ASN 64 HD21 ASN 64 12.666 -0.135 -11.153 86 2HD2 ASN 64 HD22 ASN 64 11.422 -0.218 -9.948 87 H LYS 65 HN LYS 65 8.204 3.505 -10.808 88 HA LYS 65 HA LYS 65 8.027 6.072 -9.482 89 1HB LYS 65 HB1 LYS 65 8.146 7.435 -11.484 90 2HB LYS 65 HB2 LYS 65 9.688 6.668 -11.165 91 1HG LYS 65 HG1 LYS 65 7.590 5.445 -13.096 92 2HG LYS 65 HG2 LYS 65 8.694 6.723 -13.624 93 1HD LYS 65 HD1 LYS 65 9.518 3.936 -12.630 94 2HD LYS 65 HD2 LYS 65 9.607 4.553 -14.280 95 1HE LYS 65 HE1 LYS 65 11.267 6.329 -13.528 96 2HE LYS 65 HE2 LYS 65 11.270 5.554 -11.886 97 1HZ LYS 65 HZ1 LYS 65 11.923 3.493 -12.921 98 2HZ LYS 65 HZ2 LYS 65 11.969 4.236 -14.444 99 3HZ LYS 65 HZ3 LYS 65 13.040 4.734 -13.216 100 H GLN 66 HN GLN 66 6.442 3.356 -10.177 101 HA GLN 66 HA GLN 66 4.434 4.553 -11.764 102 1HB GLN 66 HB1 GLN 66 5.060 1.755 -11.043 103 2HB GLN 66 HB2 GLN 66 3.359 2.142 -11.345 104 1HG GLN 66 HG1 GLN 66 5.539 3.018 -13.291 105 2HG GLN 66 HG2 GLN 66 4.974 1.334 -13.236 106 1HE2 GLN 66 HE21 GLN 66 1.708 2.142 -14.599 107 2HE2 GLN 66 HE22 GLN 66 2.691 0.926 -13.869 108 H ARG 67 HN ARG 67 2.129 3.700 -11.198 109 HA ARG 67 HA ARG 67 1.494 4.077 -8.392 110 1HB ARG 67 HB1 ARG 67 0.043 6.031 -8.826 111 2HB ARG 67 HB2 ARG 67 1.771 6.387 -8.828 112 1HG ARG 67 HG1 ARG 67 0.513 5.690 -11.509 113 2HG ARG 67 HG2 ARG 67 -0.072 7.157 -10.760 114 1HD ARG 67 HD1 ARG 67 1.727 8.341 -11.386 115 2HD ARG 67 HD2 ARG 67 2.814 7.238 -10.465 116 HE ARG 67 HE ARG 67 2.621 5.672 -12.568 117 1HH1 ARG 67 HH22 ARG 67 3.485 8.989 -12.179 118 2HH1 ARG 67 HH21 ARG 67 4.545 8.968 -13.546 119 1HH2 ARG 67 HH12 ARG 67 3.714 5.682 -14.510 120 2HH2 ARG 67 HH11 ARG 67 4.649 7.093 -14.903 121 H THR 68 HN THR 68 -0.893 4.014 -8.118 122 HA THR 68 HA THR 68 -2.608 3.551 -10.237 123 HB THR 68 HB THR 68 -1.477 1.354 -10.588 124 HG1 THR 68 HG1 THR 68 -3.372 0.107 -10.219 125 1HG2 THR 68 HG23 THR 68 -0.718 0.984 -8.175 126 2HG2 THR 68 HG21 THR 68 -2.443 0.627 -7.755 127 3HG2 THR 68 HG22 THR 68 -1.559 -0.424 -8.924 128 H VAL 69 HN VAL 69 -4.790 2.636 -9.265 129 HA VAL 69 HA VAL 69 -4.880 3.595 -6.462 130 HB VAL 69 HB VAL 69 -6.162 5.161 -7.610 131 1HG1 VAL 69 HG12 VAL 69 -7.560 2.857 -9.097 132 2HG1 VAL 69 HG13 VAL 69 -8.008 4.604 -9.175 133 3HG1 VAL 69 HG11 VAL 69 -6.415 4.066 -9.816 134 1HG2 VAL 69 HG22 VAL 69 -7.132 4.354 -5.542 135 2HG2 VAL 69 HG23 VAL 69 -8.326 4.994 -6.726 136 3HG2 VAL 69 HG21 VAL 69 -8.176 3.216 -6.500 137 H VAL 70 HN VAL 70 -5.920 2.299 -5.001 138 HA VAL 70 HA VAL 70 -6.876 -0.303 -6.060 139 HB VAL 70 HB VAL 70 -5.933 -1.427 -4.096 140 1HG1 VAL 70 HG12 VAL 70 -3.860 0.028 -5.816 141 2HG1 VAL 70 HG13 VAL 70 -3.519 -1.360 -4.715 142 3HG1 VAL 70 HG11 VAL 70 -4.627 -1.571 -6.138 143 1HG2 VAL 70 HG23 VAL 70 -5.787 0.457 -2.508 144 2HG2 VAL 70 HG21 VAL 70 -4.218 -0.400 -2.693 145 3HG2 VAL 70 HG22 VAL 70 -4.461 1.194 -3.501 146 H ASN 71 HN ASN 71 -8.323 -1.394 -4.465 147 HA ASN 71 HA ASN 71 -9.723 0.595 -2.778 148 1HB ASN 71 HB1 ASN 71 -10.966 -1.452 -4.711 149 2HB ASN 71 HB2 ASN 71 -11.868 -0.650 -3.364 150 1HD2 ASN 71 HD21 ASN 71 -10.793 1.595 -6.673 151 2HD2 ASN 71 HD22 ASN 71 -9.997 0.089 -6.367 152 H VAL 72 HN VAL 72 -10.300 -0.242 -0.766 153 HA VAL 72 HA VAL 72 -9.295 -2.941 -0.252 154 HB VAL 72 HB VAL 72 -8.668 -1.053 1.300 155 1HG1 VAL 72 HG13 VAL 72 -10.935 0.085 1.256 156 2HG1 VAL 72 HG11 VAL 72 -11.524 -1.233 2.341 157 3HG1 VAL 72 HG12 VAL 72 -10.172 -0.185 2.889 158 1HG2 VAL 72 HG23 VAL 72 -10.123 -3.484 2.436 159 2HG2 VAL 72 HG21 VAL 72 -8.326 -3.229 2.157 160 3HG2 VAL 72 HG22 VAL 72 -9.183 -2.311 3.417 161 H ARG 73 HN ARG 73 -10.669 -4.679 -0.117 162 HA ARG 73 HA ARG 73 -13.554 -4.017 -0.354 163 1HB ARG 73 HB1 ARG 73 -11.996 -6.426 -1.373 164 2HB ARG 73 HB2 ARG 73 -13.712 -6.252 -1.472 165 1HG ARG 73 HG1 ARG 73 -11.625 -4.349 -2.782 166 2HG ARG 73 HG2 ARG 73 -12.458 -5.666 -3.620 167 1HD ARG 73 HD1 ARG 73 -13.797 -3.902 -4.286 168 2HD ARG 73 HD2 ARG 73 -14.700 -4.461 -2.810 169 HE ARG 73 HE ARG 73 -13.236 -2.640 -1.576 170 1HH1 ARG 73 HH22 ARG 73 -15.308 -2.541 -4.353 171 2HH1 ARG 73 HH21 ARG 73 -15.803 -0.913 -4.032 172 1HH2 ARG 73 HH12 ARG 73 -13.479 -0.403 -1.441 173 2HH2 ARG 73 HH11 ARG 73 -14.745 0.315 -2.381 174 H ASN 74 HN ASN 74 -14.954 -5.256 0.827 175 HA ASN 74 HA ASN 74 -15.670 -6.016 2.739 176 1HB ASN 74 HB1 ASN 74 -13.582 -8.173 2.256 177 2HB ASN 74 HB2 ASN 74 -15.159 -8.310 3.180 178 1HD2 ASN 74 HD21 ASN 74 -15.724 -9.625 -0.268 179 2HD2 ASN 74 HD22 ASN 74 -14.619 -10.018 1.006 180 H GLY 75 HN GLY 75 -12.407 -6.446 2.965 181 1HA GLY 75 HA2 GLY 75 -11.770 -4.849 4.952 182 2HA GLY 75 HA1 GLY 75 -12.029 -6.394 5.854 183 H MET 76 HN MET 76 -10.514 -5.402 2.704 184 HA MET 76 HA MET 76 -8.677 -7.446 2.815 185 1HB MET 76 HB1 MET 76 -8.821 -4.886 1.197 186 2HB MET 76 HB2 MET 76 -7.346 -5.630 1.254 187 1HG MET 76 HG1 MET 76 -7.903 -7.686 0.276 188 2HG MET 76 HG2 MET 76 -9.568 -7.588 0.688 189 1HE MET 76 HE1 MET 76 -10.086 -8.280 -1.928 190 2HE MET 76 HE2 MET 76 -9.503 -7.379 -3.363 191 3HE MET 76 HE3 MET 76 -8.338 -8.277 -2.335 192 H SER 77 HN SER 77 -6.458 -7.460 3.173 193 HA SER 77 HA SER 77 -5.476 -5.426 5.176 194 1HB SER 77 HB1 SER 77 -4.457 -8.189 4.493 195 2HB SER 77 HB2 SER 77 -3.850 -7.131 5.754 196 HG SER 77 HG1 SER 77 -6.595 -7.788 5.793 197 H LEU 78 HN LEU 78 -3.367 -4.754 4.898 198 HA LEU 78 HA LEU 78 -2.584 -3.846 2.612 199 1HB LEU 78 HB1 LEU 78 -1.088 -4.828 5.008 200 2HB LEU 78 HB2 LEU 78 -0.078 -4.643 3.560 201 HG LEU 78 HG LEU 78 -0.070 -2.604 4.946 202 1HD1 LEU 78 HD23 LEU 78 -0.023 -2.816 2.209 203 2HD1 LEU 78 HD21 LEU 78 -1.504 -1.914 2.367 204 3HD1 LEU 78 HD22 LEU 78 -0.175 -1.112 3.139 205 1HD2 LEU 78 HD12 LEU 78 -2.952 -2.528 4.045 206 2HD2 LEU 78 HD13 LEU 78 -2.194 -2.062 5.599 207 3HD2 LEU 78 HD11 LEU 78 -1.985 -1.000 4.173 208 H HIS 79 HN HSP 79 -1.221 -6.953 3.675 209 HA HIS 79 HA HSP 79 -0.030 -7.635 1.385 210 1HB HIS 79 HB1 HSP 79 -1.150 -9.203 3.697 211 2HB HIS 79 HB2 HSP 79 -1.056 -10.159 2.228 212 HD1 HIS 79 HD1 HSP 79 0.680 -10.735 4.685 213 HD2 HIS 79 HD2 HSP 79 2.134 -8.266 1.678 214 HE1 HIS 79 HE1 HSP 79 3.222 -10.437 4.816 215 HE2 HIS 79 HE2 HSP 79 3.965 -9.443 2.747 216 H ASP 80 HN ASP 80 -3.349 -8.858 2.240 217 HA ASP 80 HA ASP 80 -3.674 -9.995 -0.326 218 1HB ASP 80 HB1 ASP 80 -5.693 -9.185 1.872 219 2HB ASP 80 HB2 ASP 80 -6.165 -10.091 0.411 220 H CYS 81 HN CYS 81 -4.147 -6.779 0.975 221 HA CYS 81 HA CYS 81 -6.004 -6.002 -1.062 222 1HB CYS 81 HB1 CYS 81 -5.476 -5.159 1.499 223 2HB CYS 81 HB2 CYS 81 -4.414 -4.095 0.708 224 HG1 CYS 81 HG1 CYS 81 -5.965 -3.263 -1.308 225 H LEU 82 HN LEU 82 -2.563 -6.014 -0.626 226 HA LEU 82 HA LEU 82 -2.097 -4.268 -2.949 227 1HB LEU 82 HB1 LEU 82 -0.430 -5.723 -0.810 228 2HB LEU 82 HB2 LEU 82 0.372 -5.131 -2.154 229 HG LEU 82 HG LEU 82 -0.369 -3.887 0.259 230 1HD1 LEU 82 HD11 LEU 82 0.256 -2.368 -2.402 231 2HD1 LEU 82 HD12 LEU 82 0.435 -1.649 -0.753 232 3HD1 LEU 82 HD13 LEU 82 1.514 -3.000 -1.283 233 1HD2 LEU 82 HD23 LEU 82 -2.306 -2.770 -1.726 234 2HD2 LEU 82 HD21 LEU 82 -2.589 -3.544 -0.122 235 3HD2 LEU 82 HD22 LEU 82 -1.786 -1.943 -0.187 236 H MET 83 HN MET 83 -1.472 -7.524 -1.763 237 HA MET 83 HA MET 83 -0.372 -8.584 -4.138 238 1HB MET 83 HB1 MET 83 -0.600 -9.577 -1.726 239 2HB MET 83 HB2 MET 83 -2.290 -9.675 -1.928 240 1HG MET 83 HG1 MET 83 -2.572 -11.371 -3.187 241 2HG MET 83 HG2 MET 83 -1.106 -11.127 -4.118 242 1HE MET 83 HE3 MET 83 -1.921 -14.086 -3.211 243 2HE MET 83 HE1 MET 83 -0.384 -13.732 -4.069 244 3HE MET 83 HE2 MET 83 -0.371 -14.741 -2.587 245 H LYS 84 HN LYS 84 -3.597 -7.545 -3.418 246 HA LYS 84 HA LYS 84 -4.888 -8.645 -5.718 247 1HB LYS 84 HB1 LYS 84 -6.209 -8.230 -3.978 248 2HB LYS 84 HB2 LYS 84 -5.302 -6.793 -3.477 249 1HG LYS 84 HG1 LYS 84 -6.766 -6.754 -6.118 250 2HG LYS 84 HG2 LYS 84 -7.563 -6.441 -4.482 251 1HD LYS 84 HD1 LYS 84 -6.508 -4.628 -3.871 252 2HD LYS 84 HD2 LYS 84 -5.268 -4.784 -5.083 253 1HE LYS 84 HE1 LYS 84 -6.674 -3.034 -5.917 254 2HE LYS 84 HE2 LYS 84 -7.071 -4.492 -6.918 255 1HZ LYS 84 HZ1 LYS 84 -8.562 -3.627 -4.496 256 2HZ LYS 84 HZ2 LYS 84 -9.024 -3.313 -6.120 257 3HZ LYS 84 HZ3 LYS 84 -8.952 -4.897 -5.529 258 H ALA 85 HN ALA 85 -3.435 -5.486 -4.922 259 HA ALA 85 HA ALA 85 -3.836 -4.398 -7.492 260 1HB ALA 85 HB3 ALA 85 -3.174 -3.322 -5.111 261 2HB ALA 85 HB1 ALA 85 -1.493 -3.901 -5.440 262 3HB ALA 85 HB2 ALA 85 -2.203 -2.660 -6.510 263 H LEU 86 HN LEU 86 -0.886 -5.828 -6.019 264 HA LEU 86 HA LEU 86 0.745 -5.244 -8.367 265 1HB LEU 86 HB1 LEU 86 1.194 -7.157 -6.041 266 2HB LEU 86 HB2 LEU 86 2.386 -6.572 -7.018 267 HG LEU 86 HG LEU 86 0.529 -4.569 -5.549 268 1HD1 LEU 86 HD22 LEU 86 0.986 -6.199 -3.968 269 2HD1 LEU 86 HD23 LEU 86 2.752 -5.779 -4.036 270 3HD1 LEU 86 HD21 LEU 86 1.470 -4.545 -3.558 271 1HD2 LEU 86 HD12 LEU 86 1.901 -3.561 -7.181 272 2HD2 LEU 86 HD13 LEU 86 2.290 -3.006 -5.526 273 3HD2 LEU 86 HD11 LEU 86 3.402 -4.189 -6.369 274 H LYS 87 HN LYS 87 -0.834 -7.990 -6.903 275 HA LYS 87 HA LYS 87 -0.276 -9.911 -8.608 276 1HB LYS 87 HB1 LYS 87 -2.762 -9.144 -7.178 277 2HB LYS 87 HB2 LYS 87 -3.313 -9.574 -8.682 278 1HG LYS 87 HG1 LYS 87 -1.373 -11.593 -7.533 279 2HG LYS 87 HG2 LYS 87 -2.940 -11.431 -6.741 280 1HD LYS 87 HD1 LYS 87 -4.065 -11.781 -9.033 281 2HD LYS 87 HD2 LYS 87 -2.477 -11.981 -9.755 282 1HE LYS 87 HE1 LYS 87 -3.360 -14.217 -9.373 283 2HE LYS 87 HE2 LYS 87 -2.041 -13.965 -8.156 284 1HZ LYS 87 HZ2 LYS 87 -3.738 -13.353 -6.562 285 2HZ LYS 87 HZ3 LYS 87 -4.957 -13.619 -7.707 286 3HZ LYS 87 HZ1 LYS 87 -3.995 -14.916 -7.178 287 H VAL 88 HN VAL 88 -2.823 -7.613 -9.337 288 HA VAL 88 HA VAL 88 -3.307 -8.124 -11.940 289 HB VAL 88 HB VAL 88 -2.984 -5.296 -10.733 290 1HG1 VAL 88 HG11 VAL 88 -4.658 -6.068 -13.117 291 2HG1 VAL 88 HG12 VAL 88 -4.635 -4.480 -12.223 292 3HG1 VAL 88 HG13 VAL 88 -3.156 -5.014 -13.052 293 1HG2 VAL 88 HG21 VAL 88 -4.689 -7.258 -9.738 294 2HG2 VAL 88 HG22 VAL 88 -4.830 -5.467 -9.539 295 3HG2 VAL 88 HG23 VAL 88 -5.738 -6.317 -10.857 296 H ARG 89 HN ARG 89 -0.644 -6.143 -10.638 297 HA ARG 89 HA ARG 89 0.307 -5.322 -13.176 298 1HB ARG 89 HB1 ARG 89 1.741 -5.377 -10.492 299 2HB ARG 89 HB2 ARG 89 2.084 -4.324 -11.845 300 1HG ARG 89 HG1 ARG 89 -0.722 -3.971 -11.265 301 2HG ARG 89 HG2 ARG 89 -0.068 -4.204 -9.733 302 1HD ARG 89 HD1 ARG 89 0.402 -1.939 -9.773 303 2HD ARG 89 HD2 ARG 89 1.843 -2.404 -10.791 304 HE ARG 89 HE ARG 89 0.189 -2.148 -12.791 305 1HH1 ARG 89 HH22 ARG 89 1.088 -0.060 -10.201 306 2HH1 ARG 89 HH21 ARG 89 0.743 1.379 -11.104 307 1HH2 ARG 89 HH12 ARG 89 -0.880 -0.282 -13.726 308 2HH2 ARG 89 HH11 ARG 89 -0.315 1.241 -13.139 309 H GLY 90 HN GLY 90 1.149 -7.888 -10.852 310 1HA GLY 90 HA2 GLY 90 1.917 -9.946 -11.732 311 2HA GLY 90 HA1 GLY 90 2.905 -9.092 -12.956 312 H LEU 91 HN LEU 91 2.576 -7.870 -9.639 313 HA LEU 91 HA LEU 91 5.440 -8.544 -9.235 314 1HB LEU 91 HB1 LEU 91 3.696 -6.173 -8.379 315 2HB LEU 91 HB2 LEU 91 5.166 -6.595 -7.482 316 HG LEU 91 HG LEU 91 4.768 -5.087 -9.971 317 1HD1 LEU 91 HD21 LEU 91 6.165 -4.320 -8.070 318 2HD1 LEU 91 HD22 LEU 91 7.337 -5.659 -8.386 319 3HD1 LEU 91 HD23 LEU 91 7.088 -4.362 -9.621 320 1HD2 LEU 91 HD13 LEU 91 6.718 -7.405 -10.315 321 2HD2 LEU 91 HD11 LEU 91 5.199 -7.042 -11.278 322 3HD2 LEU 91 HD12 LEU 91 6.604 -5.943 -11.350 323 H GLN 92 HN GLN 92 5.920 -8.606 -6.750 324 HA GLN 92 HA GLN 92 3.644 -9.940 -5.443 325 1HB GLN 92 HB1 GLN 92 4.951 -11.608 -4.488 326 2HB GLN 92 HB2 GLN 92 5.316 -11.632 -6.191 327 1HG GLN 92 HG1 GLN 92 7.360 -10.018 -5.646 328 2HG GLN 92 HG2 GLN 92 7.132 -10.510 -3.965 329 1HE2 GLN 92 HE21 GLN 92 8.466 -13.872 -4.839 330 2HE2 GLN 92 HE22 GLN 92 7.323 -13.251 -3.806 331 HA PRO 93 HA PRO 93 5.039 -7.053 -2.501 332 1HB PRO 93 HB1 PRO 93 3.222 -7.561 -0.580 333 2HB PRO 93 HB2 PRO 93 2.761 -6.827 -2.122 334 1HG PRO 93 HG1 PRO 93 2.307 -9.585 -1.101 335 2HG PRO 93 HG2 PRO 93 1.326 -8.632 -2.195 336 1HD PRO 93 HD1 PRO 93 3.089 -10.683 -2.943 337 2HD PRO 93 HD2 PRO 93 2.460 -9.468 -4.025 338 H GLU 94 HN GLU 94 5.257 -10.411 -1.997 339 HA GLU 94 HA GLU 94 5.548 -10.570 0.693 340 1HB GLU 94 HB1 GLU 94 7.135 -12.329 -1.257 341 2HB GLU 94 HB2 GLU 94 6.835 -12.694 0.437 342 1HG GLU 94 HG1 GLU 94 5.073 -13.915 -0.235 343 2HG GLU 94 HG2 GLU 94 4.206 -12.328 -0.349 344 H CYS 95 HN CYS 95 7.957 -9.470 -1.678 345 HA CYS 95 HA CYS 95 10.055 -9.635 0.404 346 1HB CYS 95 HB1 CYS 95 10.157 -9.281 -2.630 347 2HB CYS 95 HB2 CYS 95 11.575 -9.239 -1.558 348 HG1 CYS 95 HG1 CYS 95 11.149 -11.645 -0.500 349 H CYS 96 HN CYS 96 7.775 -7.517 -0.170 350 HA CYS 96 HA CYS 96 9.615 -5.212 -0.323 351 1HB CYS 96 HB1 CYS 96 6.646 -5.378 -1.043 352 2HB CYS 96 HB2 CYS 96 7.735 -4.022 -1.316 353 HG1 CYS 96 HG1 CYS 96 9.483 -5.308 -2.823 354 H ALA 97 HN ALA 97 8.617 -3.201 0.650 355 HA ALA 97 HA ALA 97 7.047 -3.845 3.060 356 1HB ALA 97 HB3 ALA 97 9.306 -3.144 3.888 357 2HB ALA 97 HB1 ALA 97 9.096 -1.581 2.960 358 3HB ALA 97 HB2 ALA 97 8.001 -1.967 4.294 359 H VAL 98 HN VAL 98 5.222 -2.653 3.182 360 HA VAL 98 HA VAL 98 4.799 -0.692 1.119 361 HB VAL 98 HB VAL 98 2.648 -0.597 3.105 362 1HG1 VAL 98 HG13 VAL 98 2.513 -0.149 0.601 363 2HG1 VAL 98 HG11 VAL 98 2.309 -1.968 0.455 364 3HG1 VAL 98 HG12 VAL 98 1.179 -0.917 1.428 365 1HG2 VAL 98 HG22 VAL 98 3.571 -2.673 3.947 366 2HG2 VAL 98 HG23 VAL 98 1.920 -2.667 3.510 367 3HG2 VAL 98 HG21 VAL 98 3.136 -3.448 2.336 368 H PHE 99 HN PHE 99 3.607 1.337 1.815 369 HA PHE 99 HA PHE 99 4.348 2.444 4.340 370 1HB PHE 99 HB1 PHE 99 5.721 3.368 1.737 371 2HB PHE 99 HB2 PHE 99 5.413 4.494 2.961 372 HD1 PHE 99 HD1 PHE 99 6.980 1.361 1.725 373 HD2 PHE 99 HD2 PHE 99 6.988 3.857 5.223 374 HE1 PHE 99 HE1 PHE 99 9.222 0.610 2.329 375 HE2 PHE 99 HE2 PHE 99 9.225 3.183 5.692 376 HZ PHE 99 HZ PHE 99 10.483 1.986 3.937 377 H ARG 100 HN ARG 100 3.432 4.588 4.551 378 HA ARG 100 HA ARG 100 1.458 5.439 2.432 379 1HB ARG 100 HB1 ARG 100 0.008 5.398 3.840 380 2HB ARG 100 HB2 ARG 100 1.147 5.279 5.168 381 1HG ARG 100 HG1 ARG 100 1.825 7.722 4.817 382 2HG ARG 100 HG2 ARG 100 0.259 7.859 3.918 383 1HD ARG 100 HD1 ARG 100 -0.529 6.600 6.240 384 2HD ARG 100 HD2 ARG 100 1.044 7.166 6.811 385 HE ARG 100 HE ARG 100 -1.402 8.812 5.763 386 1HH1 ARG 100 HH22 ARG 100 2.025 9.138 6.087 387 2HH1 ARG 100 HH21 ARG 100 1.968 10.793 6.581 388 1HH2 ARG 100 HH12 ARG 100 -1.547 10.966 6.439 389 2HH2 ARG 100 HH11 ARG 100 -0.081 11.877 6.692 390 H LEU 101 HN LEU 101 1.847 7.523 1.653 391 HA LEU 101 HA LEU 101 4.681 7.990 1.587 392 1HB LEU 101 HB1 LEU 101 2.341 9.666 0.371 393 2HB LEU 101 HB2 LEU 101 4.068 9.892 -0.032 394 HG LEU 101 HG LEU 101 2.307 7.478 -0.711 395 1HD1 LEU 101 HD22 LEU 101 2.153 9.524 -2.194 396 2HD1 LEU 101 HD23 LEU 101 3.908 9.327 -2.553 397 3HD1 LEU 101 HD21 LEU 101 2.753 8.021 -3.010 398 1HD2 LEU 101 HD11 LEU 101 5.330 7.746 -1.043 399 2HD2 LEU 101 HD12 LEU 101 4.414 6.521 -0.070 400 3HD2 LEU 101 HD13 LEU 101 4.283 6.536 -1.875 401 H LEU 102 HN LEU 102 5.272 10.563 1.566 402 HA LEU 102 HA LEU 102 4.758 11.377 4.285 403 1HB LEU 102 HB1 LEU 102 6.264 13.306 3.411 404 2HB LEU 102 HB2 LEU 102 6.932 11.761 3.929 405 HG LEU 102 HG LEU 102 6.181 12.177 0.990 406 1HD1 LEU 102 HD21 LEU 102 8.750 13.125 2.329 407 2HD1 LEU 102 HD22 LEU 102 8.524 12.872 0.545 408 3HD1 LEU 102 HD23 LEU 102 7.540 14.103 1.421 409 1HD2 LEU 102 HD11 LEU 102 7.005 9.888 2.126 410 2HD2 LEU 102 HD12 LEU 102 7.685 10.427 0.528 411 3HD2 LEU 102 HD13 LEU 102 8.617 10.666 2.051 412 H HIS 103 HN HSP 103 2.594 12.139 4.408 413 HA HIS 103 HA HSP 103 1.984 14.396 2.604 414 1HB HIS 103 HB1 HSP 103 0.285 12.881 4.636 415 2HB HIS 103 HB2 HSP 103 -0.249 14.352 3.747 416 HD1 HIS 103 HD1 HSP 103 -1.810 11.776 3.391 417 HD2 HIS 103 HD2 HSP 103 1.207 13.104 0.789 418 HE1 HIS 103 HE1 HSP 103 -2.326 10.856 1.110 419 HE2 HIS 103 HE2 HSP 103 -0.573 11.751 -0.464 420 H GLU 104 HN GLU 104 3.680 13.716 5.422 421 HA GLU 104 HA GLU 104 3.532 16.517 6.324 422 1HB GLU 104 HB1 GLU 104 2.911 16.178 8.500 423 2HB GLU 104 HB2 GLU 104 1.593 15.779 7.395 424 1HG GLU 104 HG1 GLU 104 3.481 13.680 8.681 425 2HG GLU 104 HG2 GLU 104 1.884 14.183 9.319 426 H HIS 105 HN HSP 105 5.590 14.676 5.086 427 HA HIS 105 HA HSP 105 7.496 15.010 7.234 428 1HB HIS 105 HB1 HSP 105 8.043 12.434 5.883 429 2HB HIS 105 HB2 HSP 105 8.202 12.884 7.608 430 HD1 HIS 105 HD1 HSP 105 5.720 12.844 8.859 431 HD2 HIS 105 HD2 HSP 105 6.250 10.533 5.408 432 HE1 HIS 105 HE1 HSP 105 4.105 10.892 9.003 433 HE2 HIS 105 HE2 HSP 105 4.467 9.524 6.917 434 H LYS 106 HN LYS 106 9.808 14.619 6.211 435 HA LYS 106 HA LYS 106 9.684 14.890 3.275 436 1HB LYS 106 HB1 LYS 106 10.072 17.093 4.359 437 2HB LYS 106 HB2 LYS 106 11.390 16.382 5.326 438 1HG LYS 106 HG1 LYS 106 12.613 17.350 3.663 439 2HG LYS 106 HG2 LYS 106 12.483 15.744 3.009 440 1HD LYS 106 HD1 LYS 106 11.993 17.194 1.153 441 2HD LYS 106 HD2 LYS 106 10.433 16.486 1.628 442 1HE LYS 106 HE1 LYS 106 9.842 18.597 2.864 443 2HE LYS 106 HE2 LYS 106 11.458 19.296 2.429 444 1HZ LYS 106 HZ2 LYS 106 10.868 19.045 0.119 445 2HZ LYS 106 HZ3 LYS 106 9.356 18.394 0.535 446 3HZ LYS 106 HZ1 LYS 106 9.730 19.998 0.943 447 H GLY 107 HN GLY 107 10.775 13.304 2.383 448 1HA GLY 107 HA2 GLY 107 12.410 11.837 1.961 449 2HA GLY 107 HA1 GLY 107 13.338 12.582 3.303 450 H LYS 108 HN LYS 108 10.083 11.188 3.853 451 HA LYS 108 HA LYS 108 11.175 8.703 4.852 452 1HB LYS 108 HB1 LYS 108 10.047 10.784 6.730 453 2HB LYS 108 HB2 LYS 108 10.096 9.019 7.059 454 1HG LYS 108 HG1 LYS 108 12.690 9.349 6.355 455 2HG LYS 108 HG2 LYS 108 12.376 10.996 6.946 456 1HD LYS 108 HD1 LYS 108 11.408 9.715 9.091 457 2HD LYS 108 HD2 LYS 108 12.065 8.239 8.357 458 1HE LYS 108 HE1 LYS 108 13.708 10.772 9.083 459 2HE LYS 108 HE2 LYS 108 13.600 9.272 10.090 460 1HZ LYS 108 HZ3 LYS 108 14.608 9.429 7.303 461 2HZ LYS 108 HZ1 LYS 108 15.554 9.318 8.710 462 3HZ LYS 108 HZ2 LYS 108 14.526 8.037 8.267 463 H LYS 109 HN LYS 109 9.617 7.201 4.611 464 HA LYS 109 HA LYS 109 6.877 8.122 3.998 465 1HB LYS 109 HB1 LYS 109 8.614 5.870 3.083 466 2HB LYS 109 HB2 LYS 109 7.392 5.314 3.431 467 1HG LYS 109 HG1 LYS 109 6.856 7.750 1.682 468 2HG LYS 109 HG2 LYS 109 8.548 7.360 1.449 469 1HD LYS 109 HD1 LYS 109 6.199 5.458 0.910 470 2HD LYS 109 HD2 LYS 109 7.036 6.333 -0.295 471 1HE LYS 109 HE1 LYS 109 8.538 4.419 1.630 472 2HE LYS 109 HE2 LYS 109 7.743 3.812 0.136 473 1HZ LYS 109 HZ1 LYS 109 9.061 5.538 -1.065 474 2HZ LYS 109 HZ2 LYS 109 9.963 5.747 0.372 475 3HZ LYS 109 HZ3 LYS 109 9.921 4.234 -0.456 476 H ALA 110 HN ALA 110 5.251 6.738 4.986 477 HA ALA 110 HA ALA 110 6.075 6.247 7.795 478 1HB ALA 110 HB2 ALA 110 3.249 6.664 6.755 479 2HB ALA 110 HB3 ALA 110 3.707 6.131 8.428 480 3HB ALA 110 HB1 ALA 110 4.183 7.765 7.852 481 H ARG 111 HN ARG 111 6.266 4.031 8.365 482 HA ARG 111 HA ARG 111 5.810 2.313 6.052 483 1HB ARG 111 HB1 ARG 111 8.076 2.538 7.157 484 2HB ARG 111 HB2 ARG 111 7.351 1.958 8.650 485 1HG ARG 111 HG1 ARG 111 6.756 0.158 6.361 486 2HG ARG 111 HG2 ARG 111 8.476 0.383 6.580 487 1HD ARG 111 HD1 ARG 111 7.677 0.085 9.226 488 2HD ARG 111 HD2 ARG 111 6.457 -0.893 8.450 489 HE ARG 111 HE ARG 111 9.504 -1.272 8.072 490 1HH1 ARG 111 HH22 ARG 111 6.306 -2.379 7.150 491 2HH1 ARG 111 HH21 ARG 111 6.959 -3.637 6.149 492 1HH2 ARG 111 HH12 ARG 111 10.324 -3.035 6.909 493 2HH2 ARG 111 HH11 ARG 111 9.223 -4.121 6.214 494 H LEU 112 HN LEU 112 4.735 0.428 6.256 495 HA LEU 112 HA LEU 112 2.746 0.454 8.458 496 1HB LEU 112 HB1 LEU 112 2.444 -0.327 5.512 497 2HB LEU 112 HB2 LEU 112 1.162 -0.399 6.737 498 HG LEU 112 HG LEU 112 2.624 2.154 6.004 499 1HD1 LEU 112 HD11 LEU 112 1.440 1.254 3.992 500 2HD1 LEU 112 HD12 LEU 112 -0.089 1.198 4.939 501 3HD1 LEU 112 HD13 LEU 112 0.704 2.789 4.604 502 1HD2 LEU 112 HD22 LEU 112 1.644 2.257 8.201 503 2HD2 LEU 112 HD23 LEU 112 0.869 3.388 7.038 504 3HD2 LEU 112 HD21 LEU 112 0.016 1.863 7.495 505 H ASP 113 HN ASP 113 1.401 -1.697 8.032 506 HA ASP 113 HA ASP 113 3.391 -3.808 8.436 507 1HB ASP 113 HB1 ASP 113 1.694 -3.329 10.360 508 2HB ASP 113 HB2 ASP 113 0.456 -4.051 9.243 509 H TRP 114 HN TRP 114 3.042 -5.762 7.160 510 HA TRP 114 HA TRP 114 1.580 -5.464 5.114 511 1HB TRP 114 HB1 TRP 114 3.313 -7.634 6.406 512 2HB TRP 114 HB2 TRP 114 2.148 -8.369 5.296 513 HD1 TRP 114 HD1 TRP 114 5.324 -8.319 4.544 514 HE1 TRP 114 HE1 TRP 114 6.159 -6.944 2.465 515 HE3 TRP 114 HE3 TRP 114 1.089 -6.399 3.651 516 HZ2 TRP 114 HZ2 TRP 114 4.610 -5.677 0.271 517 HZ3 TRP 114 HZ3 TRP 114 0.527 -5.387 1.423 518 HH2 TRP 114 HH2 TRP 114 2.222 -5.154 -0.242 519 H ASN 115 HN ASN 115 0.405 -6.323 8.092 520 HA ASN 115 HA ASN 115 -2.036 -7.397 6.799 521 1HB ASN 115 HB1 ASN 115 -0.654 -8.112 9.159 522 2HB ASN 115 HB2 ASN 115 -1.832 -7.010 9.799 523 1HD2 ASN 115 HD21 ASN 115 -4.689 -9.043 8.742 524 2HD2 ASN 115 HD22 ASN 115 -4.178 -7.391 8.868 525 H THR 116 HN THR 116 -0.983 -4.512 6.673 526 HA THR 116 HA THR 116 -2.135 -3.396 8.841 527 HB THR 116 HB THR 116 -0.167 -2.419 7.148 528 HG1 THR 116 HG1 THR 116 -0.984 -1.214 9.442 529 1HG2 THR 116 HG23 THR 116 -2.574 -0.515 7.986 530 2HG2 THR 116 HG21 THR 116 -0.900 0.095 7.899 531 3HG2 THR 116 HG22 THR 116 -1.617 -0.429 6.400 532 H ASP 117 HN ASP 117 -3.984 -2.102 9.102 533 HA ASP 117 HA ASP 117 -6.276 -2.595 7.420 534 1HB ASP 117 HB1 ASP 117 -6.319 -2.084 9.905 535 2HB ASP 117 HB2 ASP 117 -5.865 -0.396 9.493 536 H ALA 118 HN ALA 118 -5.410 -2.034 5.361 537 HA ALA 118 HA ALA 118 -4.564 0.448 4.423 538 1HB ALA 118 HB3 ALA 118 -5.136 -1.965 3.312 539 2HB ALA 118 HB1 ALA 118 -6.766 -1.253 3.079 540 3HB ALA 118 HB2 ALA 118 -5.320 -0.476 2.310 541 H ALA 119 HN ALA 119 -7.737 -0.534 5.631 542 HA ALA 119 HA ALA 119 -9.297 1.590 4.451 543 1HB ALA 119 HB2 ALA 119 -9.079 -0.625 6.629 544 2HB ALA 119 HB3 ALA 119 -10.492 0.544 6.761 545 3HB ALA 119 HB1 ALA 119 -10.279 -0.524 5.314 546 H SER 120 HN SER 120 -6.815 1.529 6.925 547 HA SER 120 HA SER 120 -7.967 3.950 8.169 548 1HB SER 120 HB1 SER 120 -5.563 2.236 8.925 549 2HB SER 120 HB2 SER 120 -6.052 3.761 9.748 550 HG SER 120 HG1 SER 120 -7.735 1.479 9.431 551 H LEU 121 HN LEU 121 -5.859 2.909 5.651 552 HA LEU 121 HA LEU 121 -4.340 5.471 5.721 553 1HB LEU 121 HB1 LEU 121 -3.942 3.029 3.906 554 2HB LEU 121 HB2 LEU 121 -2.926 4.411 3.971 555 HG LEU 121 HG LEU 121 -1.687 2.940 5.318 556 1HD1 LEU 121 HD22 LEU 121 -2.176 4.953 6.725 557 2HD1 LEU 121 HD23 LEU 121 -3.626 4.155 7.369 558 3HD1 LEU 121 HD21 LEU 121 -1.989 3.436 7.727 559 1HD2 LEU 121 HD12 LEU 121 -4.398 1.792 5.991 560 2HD2 LEU 121 HD13 LEU 121 -2.885 0.954 5.489 561 3HD2 LEU 121 HD11 LEU 121 -3.068 1.573 7.198 562 H ILE 122 HN ILE 122 -6.948 4.100 4.844 563 HA ILE 122 HA ILE 122 -7.448 4.647 2.257 564 HB ILE 122 HB ILE 122 -9.059 3.742 4.189 565 1HG1 ILE 122 HG11 ILE 122 -10.812 3.432 2.494 566 2HG1 ILE 122 HG12 ILE 122 -9.776 4.366 1.357 567 1HG2 ILE 122 HG21 ILE 122 -9.884 5.936 4.922 568 2HG2 ILE 122 HG22 ILE 122 -10.444 6.270 3.210 569 3HG2 ILE 122 HG23 ILE 122 -11.195 4.952 4.128 570 1HD1 ILE 122 HD2 ILE 122 -8.216 2.231 2.606 571 2HD1 ILE 122 HD3 ILE 122 -9.763 1.583 1.959 572 3HD1 ILE 122 HD1 ILE 122 -8.713 2.438 0.847 573 H GLY 123 HN GLY 123 -8.074 6.198 1.011 574 1HA GLY 123 HA2 GLY 123 -8.131 8.299 0.157 575 2HA GLY 123 HA1 GLY 123 -8.483 8.861 1.829 576 H GLU 124 HN GLU 124 -5.515 7.104 0.798 577 HA GLU 124 HA GLU 124 -3.999 9.623 1.137 578 1HB GLU 124 HB1 GLU 124 -3.203 6.881 2.213 579 2HB GLU 124 HB2 GLU 124 -2.287 8.393 2.362 580 1HG GLU 124 HG1 GLU 124 -5.133 8.299 3.492 581 2HG GLU 124 HG2 GLU 124 -3.877 7.382 4.316 582 H GLU 125 HN GLU 125 -1.529 8.360 0.781 583 HA GLU 125 HA GLU 125 -1.755 6.964 -1.805 584 1HB GLU 125 HB1 GLU 125 0.144 9.273 -1.223 585 2HB GLU 125 HB2 GLU 125 0.414 8.075 -2.513 586 1HG GLU 125 HG1 GLU 125 -1.095 8.819 -3.950 587 2HG GLU 125 HG2 GLU 125 -2.304 9.159 -2.701 588 H LEU 126 HN LEU 126 -0.638 5.136 -1.684 589 HA LEU 126 HA LEU 126 1.350 4.973 0.374 590 1HB LEU 126 HB1 LEU 126 -0.361 2.881 -1.075 591 2HB LEU 126 HB2 LEU 126 1.121 2.354 -0.311 592 HG LEU 126 HG LEU 126 0.045 3.834 1.759 593 1HD1 LEU 126 HD22 LEU 126 -2.335 2.899 0.288 594 2HD1 LEU 126 HD23 LEU 126 -2.263 3.168 2.075 595 3HD1 LEU 126 HD21 LEU 126 -1.881 4.528 0.985 596 1HD2 LEU 126 HD11 LEU 126 0.982 1.465 1.882 597 2HD2 LEU 126 HD12 LEU 126 -0.600 1.631 2.761 598 3HD2 LEU 126 HD13 LEU 126 -0.545 0.854 1.140 599 H GLN 127 HN GLN 127 3.127 3.275 -0.067 600 HA GLN 127 HA GLN 127 3.919 3.262 -2.886 601 1HB GLN 127 HB1 GLN 127 5.303 4.986 -1.073 602 2HB GLN 127 HB2 GLN 127 6.243 3.547 -1.048 603 1HG GLN 127 HG1 GLN 127 5.939 3.767 -3.810 604 2HG GLN 127 HG2 GLN 127 5.851 5.544 -3.280 605 1HE2 GLN 127 HE21 GLN 127 9.380 3.524 -2.728 606 2HE2 GLN 127 HE22 GLN 127 7.939 2.614 -3.041 607 H VAL 128 HN VAL 128 5.574 1.501 -3.209 608 HA VAL 128 HA VAL 128 5.762 -0.264 -0.844 609 HB VAL 128 HB VAL 128 5.311 -1.028 -3.743 610 1HG1 VAL 128 HG12 VAL 128 6.258 -2.813 -1.417 611 2HG1 VAL 128 HG13 VAL 128 5.722 -3.386 -3.044 612 3HG1 VAL 128 HG11 VAL 128 7.216 -2.411 -2.919 613 1HG2 VAL 128 HG21 VAL 128 3.284 -0.789 -2.287 614 2HG2 VAL 128 HG22 VAL 128 3.573 -2.469 -2.866 615 3HG2 VAL 128 HG23 VAL 128 3.984 -2.020 -1.150 616 H ASP 129 HN ASP 129 7.843 -1.064 -0.454 617 HA ASP 129 HA ASP 129 9.891 -0.208 -2.342 618 1HB ASP 129 HB1 ASP 129 9.269 1.304 0.034 619 2HB ASP 129 HB2 ASP 129 10.728 0.348 0.471 620 H PHE 130 HN PHE 130 12.068 -0.817 -0.452 621 HA PHE 130 HA PHE 130 12.075 -3.598 -0.847 622 1HB PHE 130 HB1 PHE 130 14.132 -3.381 0.873 623 2HB PHE 130 HB2 PHE 130 14.272 -2.826 -0.824 624 HD1 PHE 130 HD1 PHE 130 13.445 -1.673 2.655 625 HD2 PHE 130 HD2 PHE 130 14.501 -0.471 -1.316 626 HE1 PHE 130 HE1 PHE 130 13.766 0.628 3.421 627 HE2 PHE 130 HE2 PHE 130 14.818 1.820 -0.531 628 HZ PHE 130 HZ PHE 130 14.448 2.383 1.837 629 H LEU 131 HN LEU 131 12.322 -5.208 0.863 630 HA LEU 131 HA LEU 131 10.197 -5.127 2.512 631 1HB LEU 131 HB1 LEU 131 11.120 -7.237 3.622 632 2HB LEU 131 HB2 LEU 131 10.970 -7.315 1.848 633 HG LEU 131 HG LEU 131 13.558 -6.327 2.107 634 1HD1 LEU 131 HD21 LEU 131 13.399 -6.575 4.628 635 2HD1 LEU 131 HD22 LEU 131 13.258 -8.346 4.383 636 3HD1 LEU 131 HD23 LEU 131 14.750 -7.475 3.827 637 1HD2 LEU 131 HD11 LEU 131 12.889 -8.168 0.636 638 2HD2 LEU 131 HD12 LEU 131 14.359 -8.567 1.602 639 3HD2 LEU 131 HD13 LEU 131 12.760 -9.275 2.060 640 H ASP 132 HN ASP 132 13.352 -4.417 3.160 641 HA ASP 132 HA ASP 132 13.377 -4.385 5.859 642 1HB ASP 132 HB1 ASP 132 14.965 -2.273 4.294 643 2HB ASP 132 HB2 ASP 132 15.370 -2.984 5.920 No H/Q in entry = 643 Start of MODEL 29 1 1H SER 55 HT2 SER 55 -13.516 7.306 3.254 2 2H SER 55 HT1 SER 55 -11.853 7.427 3.442 3 3H SER 55 HT3 SER 55 -12.728 8.759 2.830 4 HA SER 55 HA SER 55 -13.248 7.622 0.859 5 1HB SER 55 HB1 SER 55 -10.839 8.664 1.252 6 2HB SER 55 HB2 SER 55 -10.288 6.959 1.372 7 HG SER 55 HG1 SER 55 -11.435 8.364 -0.793 8 H ASN 56 HN ASN 56 -12.144 5.674 -0.535 9 HA ASN 56 HA ASN 56 -11.879 3.280 1.092 10 1HB ASN 56 HB1 ASN 56 -14.350 3.473 0.503 11 2HB ASN 56 HB2 ASN 56 -13.855 3.274 -1.226 12 1HD2 ASN 56 HD21 ASN 56 -13.423 -0.277 -0.683 13 2HD2 ASN 56 HD22 ASN 56 -13.377 1.049 -1.793 14 H THR 57 HN THR 57 -10.280 5.232 -0.554 15 HA THR 57 HA THR 57 -9.348 3.320 -2.607 16 HB THR 57 HB THR 57 -8.997 5.122 -4.196 17 HG1 THR 57 HG1 THR 57 -10.209 6.708 -2.152 18 1HG2 THR 57 HG22 THR 57 -11.298 4.078 -4.227 19 2HG2 THR 57 HG23 THR 57 -11.875 5.385 -3.123 20 3HG2 THR 57 HG21 THR 57 -11.281 5.797 -4.775 21 H ILE 58 HN ILE 58 -7.104 3.248 -2.816 22 HA ILE 58 HA ILE 58 -5.618 5.392 -1.534 23 HB ILE 58 HB ILE 58 -4.362 2.738 -1.062 24 1HG1 ILE 58 HG11 ILE 58 -6.669 3.499 0.751 25 2HG1 ILE 58 HG12 ILE 58 -6.693 2.182 -0.459 26 1HG2 ILE 58 HG23 ILE 58 -4.626 5.262 0.683 27 2HG2 ILE 58 HG21 ILE 58 -3.676 3.800 1.074 28 3HG2 ILE 58 HG22 ILE 58 -3.218 4.792 -0.362 29 1HD1 ILE 58 HD1 ILE 58 -4.669 1.139 0.644 30 2HD1 ILE 58 HD2 ILE 58 -4.869 2.338 1.989 31 3HD1 ILE 58 HD3 ILE 58 -6.179 1.160 1.634 32 H ARG 59 HN ARG 59 -3.402 5.542 -2.494 33 HA ARG 59 HA ARG 59 -3.510 4.339 -5.167 34 1HB ARG 59 HB1 ARG 59 -2.113 6.797 -4.054 35 2HB ARG 59 HB2 ARG 59 -1.916 6.180 -5.714 36 1HG ARG 59 HG1 ARG 59 -3.853 7.027 -6.425 37 2HG ARG 59 HG2 ARG 59 -4.760 6.341 -5.180 38 1HD ARG 59 HD1 ARG 59 -3.785 8.253 -3.554 39 2HD ARG 59 HD2 ARG 59 -3.482 9.118 -5.108 40 HE ARG 59 HE ARG 59 -5.907 8.891 -5.652 41 1HH1 ARG 59 HH22 ARG 59 -5.219 7.625 -2.428 42 2HH1 ARG 59 HH21 ARG 59 -6.839 7.050 -2.246 43 1HH2 ARG 59 HH12 ARG 59 -8.070 8.852 -4.965 44 2HH2 ARG 59 HH11 ARG 59 -8.475 7.788 -3.656 45 H VAL 60 HN VAL 60 -1.875 3.112 -5.909 46 HA VAL 60 HA VAL 60 0.185 2.459 -3.855 47 HB VAL 60 HB VAL 60 -0.483 0.498 -6.012 48 1HG1 VAL 60 HG11 VAL 60 1.610 0.284 -4.660 49 2HG1 VAL 60 HG12 VAL 60 0.594 0.085 -3.191 50 3HG1 VAL 60 HG13 VAL 60 0.471 -1.118 -4.539 51 1HG2 VAL 60 HG23 VAL 60 -1.946 0.653 -3.324 52 2HG2 VAL 60 HG21 VAL 60 -2.673 0.861 -4.965 53 3HG2 VAL 60 HG22 VAL 60 -1.977 -0.732 -4.485 54 H PHE 61 HN PHE 61 1.991 3.471 -4.427 55 HA PHE 61 HA PHE 61 2.528 4.026 -7.261 56 1HB PHE 61 HB1 PHE 61 3.695 4.842 -4.572 57 2HB PHE 61 HB2 PHE 61 4.696 5.010 -6.114 58 HD1 PHE 61 HD2 PHE 61 1.163 5.634 -4.829 59 HD2 PHE 61 HD1 PHE 61 4.519 7.158 -7.008 60 HE1 PHE 61 HE2 PHE 61 -0.010 7.742 -5.172 61 HE2 PHE 61 HE1 PHE 61 3.345 9.289 -7.280 62 HZ PHE 61 HZ PHE 61 1.084 9.593 -6.363 63 H LEU 62 HN LEU 62 4.369 3.080 -8.407 64 HA LEU 62 HA LEU 62 5.122 0.557 -7.150 65 1HB LEU 62 HB1 LEU 62 5.454 1.756 -9.865 66 2HB LEU 62 HB2 LEU 62 6.728 0.565 -9.300 67 HG LEU 62 HG LEU 62 4.810 -0.265 -10.739 68 1HD1 LEU 62 HD11 LEU 62 6.041 -1.791 -9.153 69 2HD1 LEU 62 HD12 LEU 62 4.704 -1.517 -7.948 70 3HD1 LEU 62 HD13 LEU 62 4.353 -2.286 -9.535 71 1HD2 LEU 62 HD21 LEU 62 3.068 1.258 -9.923 72 2HD2 LEU 62 HD22 LEU 62 2.587 -0.463 -9.956 73 3HD2 LEU 62 HD23 LEU 62 3.022 0.334 -8.363 74 HA PRO 63 HA PRO 63 8.576 2.330 -5.454 75 1HB PRO 63 HB1 PRO 63 10.227 -0.017 -6.037 76 2HB PRO 63 HB2 PRO 63 9.810 0.721 -4.510 77 1HG PRO 63 HG1 PRO 63 8.715 -1.607 -5.625 78 2HG PRO 63 HG2 PRO 63 8.038 -0.768 -4.281 79 1HD PRO 63 HD1 PRO 63 6.824 -1.014 -6.812 80 2HD PRO 63 HD2 PRO 63 6.297 0.020 -5.573 81 H ASN 64 HN ASN 64 8.928 3.966 -7.065 82 HA ASN 64 HA ASN 64 10.555 5.077 -8.077 83 1HB ASN 64 HB1 ASN 64 12.054 2.500 -8.776 84 2HB ASN 64 HB2 ASN 64 12.619 4.169 -9.071 85 1HD2 ASN 64 HD21 ASN 64 13.218 2.624 -5.387 86 2HD2 ASN 64 HD22 ASN 64 12.630 1.682 -6.718 87 H LYS 65 HN LYS 65 8.308 3.014 -9.241 88 HA LYS 65 HA LYS 65 8.762 3.979 -11.986 89 1HB LYS 65 HB1 LYS 65 7.256 1.525 -11.053 90 2HB LYS 65 HB2 LYS 65 7.361 2.121 -12.742 91 1HG LYS 65 HG1 LYS 65 9.197 0.846 -12.977 92 2HG LYS 65 HG2 LYS 65 10.047 2.028 -11.928 93 1HD LYS 65 HD1 LYS 65 9.018 0.602 -9.927 94 2HD LYS 65 HD2 LYS 65 8.955 -0.684 -11.154 95 1HE LYS 65 HE1 LYS 65 11.404 -0.476 -11.532 96 2HE LYS 65 HE2 LYS 65 11.466 0.994 -10.473 97 1HZ LYS 65 HZ1 LYS 65 10.549 -1.664 -9.551 98 2HZ LYS 65 HZ2 LYS 65 12.137 -1.071 -9.378 99 3HZ LYS 65 HZ3 LYS 65 10.845 -0.263 -8.623 100 H GLN 66 HN GLN 66 5.800 2.548 -11.202 101 HA GLN 66 HA GLN 66 4.601 5.047 -11.822 102 1HB GLN 66 HB1 GLN 66 4.262 2.116 -12.483 103 2HB GLN 66 HB2 GLN 66 2.740 2.813 -12.229 104 1HG GLN 66 HG1 GLN 66 4.927 4.038 -14.096 105 2HG GLN 66 HG2 GLN 66 3.938 2.659 -14.631 106 1HE2 GLN 66 HE21 GLN 66 0.871 4.623 -14.885 107 2HE2 GLN 66 HE22 GLN 66 1.526 3.030 -14.793 108 H ARG 67 HN ARG 67 1.880 4.427 -11.513 109 HA ARG 67 HA ARG 67 1.449 3.636 -8.797 110 1HB ARG 67 HB1 ARG 67 0.359 5.822 -8.189 111 2HB ARG 67 HB2 ARG 67 2.123 5.874 -8.243 112 1HG ARG 67 HG1 ARG 67 0.714 6.583 -10.825 113 2HG ARG 67 HG2 ARG 67 0.389 7.655 -9.482 114 1HD ARG 67 HD1 ARG 67 2.313 8.757 -9.907 115 2HD ARG 67 HD2 ARG 67 3.201 7.290 -9.298 116 HE ARG 67 HE ARG 67 2.338 7.481 -12.195 117 1HH1 ARG 67 HH22 ARG 67 4.849 8.174 -9.912 118 2HH1 ARG 67 HH21 ARG 67 6.042 8.352 -11.149 119 1HH2 ARG 67 HH12 ARG 67 4.062 6.902 -13.656 120 2HH2 ARG 67 HH11 ARG 67 5.572 7.683 -13.308 121 H THR 68 HN THR 68 -0.899 3.804 -8.285 122 HA THR 68 HA THR 68 -2.705 4.641 -10.219 123 HB THR 68 HB THR 68 -2.056 2.597 -11.518 124 HG1 THR 68 HG1 THR 68 -4.246 1.763 -11.510 125 1HG2 THR 68 HG21 THR 68 -1.492 1.116 -9.551 126 2HG2 THR 68 HG22 THR 68 -3.267 0.998 -9.195 127 3HG2 THR 68 HG23 THR 68 -2.606 0.373 -10.751 128 H VAL 69 HN VAL 69 -5.045 3.688 -9.486 129 HA VAL 69 HA VAL 69 -4.887 3.954 -6.542 130 HB VAL 69 HB VAL 69 -6.081 5.799 -7.306 131 1HG1 VAL 69 HG12 VAL 69 -7.765 3.907 -9.057 132 2HG1 VAL 69 HG13 VAL 69 -8.067 5.666 -8.797 133 3HG1 VAL 69 HG11 VAL 69 -6.568 5.139 -9.640 134 1HG2 VAL 69 HG23 VAL 69 -6.987 4.703 -5.341 135 2HG2 VAL 69 HG21 VAL 69 -8.177 5.661 -6.295 136 3HG2 VAL 69 HG22 VAL 69 -8.204 3.866 -6.400 137 H VAL 70 HN VAL 70 -6.002 2.514 -5.256 138 HA VAL 70 HA VAL 70 -7.337 0.282 -6.670 139 HB VAL 70 HB VAL 70 -6.414 -1.293 -5.026 140 1HG1 VAL 70 HG13 VAL 70 -5.269 -1.121 -7.193 141 2HG1 VAL 70 HG11 VAL 70 -4.225 0.201 -6.554 142 3HG1 VAL 70 HG12 VAL 70 -4.111 -1.463 -5.847 143 1HG2 VAL 70 HG23 VAL 70 -4.634 1.016 -4.080 144 2HG2 VAL 70 HG21 VAL 70 -5.944 0.200 -3.134 145 3HG2 VAL 70 HG22 VAL 70 -4.481 -0.726 -3.617 146 H ASN 71 HN ASN 71 -8.688 -0.994 -4.990 147 HA ASN 71 HA ASN 71 -9.843 0.960 -3.082 148 1HB ASN 71 HB1 ASN 71 -11.273 -1.074 -4.890 149 2HB ASN 71 HB2 ASN 71 -12.038 -0.301 -3.440 150 1HD2 ASN 71 HD21 ASN 71 -11.332 1.988 -6.822 151 2HD2 ASN 71 HD22 ASN 71 -10.517 0.474 -6.625 152 H VAL 72 HN VAL 72 -10.577 0.008 -1.099 153 HA VAL 72 HA VAL 72 -9.377 -2.648 -0.632 154 HB VAL 72 HB VAL 72 -8.688 -0.707 0.875 155 1HG1 VAL 72 HG12 VAL 72 -11.024 0.310 1.042 156 2HG1 VAL 72 HG13 VAL 72 -11.468 -1.070 2.109 157 3HG1 VAL 72 HG11 VAL 72 -10.153 0.022 2.627 158 1HG2 VAL 72 HG22 VAL 72 -10.043 -3.123 2.198 159 2HG2 VAL 72 HG23 VAL 72 -8.294 -2.969 1.667 160 3HG2 VAL 72 HG21 VAL 72 -8.940 -1.976 3.003 161 H ARG 73 HN ARG 73 -10.707 -4.342 0.199 162 HA ARG 73 HA ARG 73 -13.576 -3.845 -0.224 163 1HB ARG 73 HB1 ARG 73 -12.084 -5.976 -1.058 164 2HB ARG 73 HB2 ARG 73 -12.634 -6.575 0.513 165 1HG ARG 73 HG1 ARG 73 -14.896 -5.299 -0.888 166 2HG ARG 73 HG2 ARG 73 -14.028 -6.290 -2.066 167 1HD ARG 73 HD1 ARG 73 -14.140 -8.206 -0.228 168 2HD ARG 73 HD2 ARG 73 -15.397 -7.171 0.544 169 HE ARG 73 HE ARG 73 -15.470 -8.298 -2.302 170 1HH1 ARG 73 HH22 ARG 73 -17.040 -6.173 0.024 171 2HH1 ARG 73 HH21 ARG 73 -18.341 -5.867 -1.066 172 1HH2 ARG 73 HH12 ARG 73 -17.552 -8.495 -3.241 173 2HH2 ARG 73 HH11 ARG 73 -18.671 -7.226 -2.887 174 H ASN 74 HN ASN 74 -14.631 -5.717 1.571 175 HA ASN 74 HA ASN 74 -14.347 -4.142 3.949 176 1HB ASN 74 HB1 ASN 74 -15.914 -6.718 3.827 177 2HB ASN 74 HB2 ASN 74 -16.202 -5.307 4.846 178 1HD2 ASN 74 HD21 ASN 74 -17.977 -3.450 2.300 179 2HD2 ASN 74 HD22 ASN 74 -17.184 -3.365 3.833 180 H GLY 75 HN GLY 75 -12.564 -4.463 5.089 181 1HA GLY 75 HA2 GLY 75 -11.317 -5.465 6.623 182 2HA GLY 75 HA1 GLY 75 -12.240 -6.993 6.381 183 H MET 76 HN MET 76 -10.578 -5.275 3.714 184 HA MET 76 HA MET 76 -8.925 -7.529 3.377 185 1HB MET 76 HB1 MET 76 -9.037 -4.853 1.922 186 2HB MET 76 HB2 MET 76 -7.782 -5.857 1.625 187 1HG MET 76 HG1 MET 76 -9.567 -7.835 1.221 188 2HG MET 76 HG2 MET 76 -10.758 -6.636 1.283 189 1HE MET 76 HE2 MET 76 -11.049 -7.969 -1.256 190 2HE MET 76 HE3 MET 76 -9.954 -7.710 -2.653 191 3HE MET 76 HE1 MET 76 -9.432 -8.750 -1.293 192 H SER 77 HN SER 77 -6.685 -7.663 3.468 193 HA SER 77 HA SER 77 -5.405 -5.766 5.384 194 1HB SER 77 HB1 SER 77 -4.302 -8.343 4.225 195 2HB SER 77 HB2 SER 77 -3.706 -7.475 5.525 196 HG SER 77 HG1 SER 77 -5.600 -9.429 5.362 197 H LEU 78 HN LEU 78 -3.316 -5.042 4.895 198 HA LEU 78 HA LEU 78 -2.658 -4.234 2.487 199 1HB LEU 78 HB1 LEU 78 -1.068 -5.045 4.892 200 2HB LEU 78 HB2 LEU 78 -0.126 -4.861 3.387 201 HG LEU 78 HG LEU 78 -0.197 -2.798 4.771 202 1HD1 LEU 78 HD23 LEU 78 -0.039 -2.995 2.086 203 2HD1 LEU 78 HD21 LEU 78 -1.655 -2.289 2.152 204 3HD1 LEU 78 HD22 LEU 78 -0.447 -1.324 2.938 205 1HD2 LEU 78 HD13 LEU 78 -3.092 -2.871 3.874 206 2HD2 LEU 78 HD11 LEU 78 -2.356 -2.299 5.433 207 3HD2 LEU 78 HD12 LEU 78 -2.180 -1.301 3.977 208 H HIS 79 HN HSP 79 -1.211 -7.191 3.697 209 HA HIS 79 HA HSP 79 -0.291 -7.963 1.305 210 1HB HIS 79 HB1 HSP 79 -0.544 -9.290 3.975 211 2HB HIS 79 HB2 HSP 79 -0.810 -10.477 2.757 212 HD1 HIS 79 HD1 HSP 79 1.338 -9.052 0.689 213 HD2 HIS 79 HD2 HSP 79 2.064 -10.175 4.651 214 HE1 HIS 79 HE1 HSP 79 3.864 -9.084 1.094 215 HE2 HIS 79 HE2 HSP 79 4.219 -10.054 3.337 216 H ASP 80 HN ASP 80 -3.591 -8.208 2.268 217 HA ASP 80 HA ASP 80 -4.081 -10.309 0.250 218 1HB ASP 80 HB1 ASP 80 -5.973 -8.873 2.225 219 2HB ASP 80 HB2 ASP 80 -6.428 -10.215 1.131 220 H CYS 81 HN CYS 81 -4.321 -6.933 1.019 221 HA CYS 81 HA CYS 81 -6.165 -6.410 -1.138 222 1HB CYS 81 HB1 CYS 81 -5.812 -5.406 1.419 223 2HB CYS 81 HB2 CYS 81 -4.768 -4.347 0.642 224 HG1 CYS 81 HG1 CYS 81 -6.188 -3.656 -1.514 225 H LEU 82 HN LEU 82 -2.736 -6.087 -0.424 226 HA LEU 82 HA LEU 82 -2.240 -4.418 -2.768 227 1HB LEU 82 HB1 LEU 82 -0.506 -5.846 -0.660 228 2HB LEU 82 HB2 LEU 82 0.220 -5.099 -1.952 229 HG LEU 82 HG LEU 82 -0.628 -4.051 0.534 230 1HD1 LEU 82 HD12 LEU 82 1.209 -2.967 -0.981 231 2HD1 LEU 82 HD13 LEU 82 -0.104 -2.338 -2.035 232 3HD1 LEU 82 HD11 LEU 82 0.057 -1.727 -0.339 233 1HD2 LEU 82 HD22 LEU 82 -2.616 -3.038 -1.450 234 2HD2 LEU 82 HD23 LEU 82 -2.833 -3.809 0.164 235 3HD2 LEU 82 HD21 LEU 82 -2.149 -2.143 0.062 236 H MET 83 HN MET 83 -1.619 -7.671 -1.525 237 HA MET 83 HA MET 83 -0.186 -8.697 -3.709 238 1HB MET 83 HB1 MET 83 -0.664 -9.810 -1.465 239 2HB MET 83 HB2 MET 83 -2.359 -9.755 -1.755 240 1HG MET 83 HG1 MET 83 -2.022 -11.929 -2.172 241 2HG MET 83 HG2 MET 83 -2.373 -11.220 -3.673 242 1HE MET 83 HE2 MET 83 0.869 -11.516 -1.250 243 2HE MET 83 HE3 MET 83 0.198 -13.165 -1.450 244 3HE MET 83 HE1 MET 83 1.819 -12.779 -2.103 245 H LYS 84 HN LYS 84 -3.658 -7.948 -3.307 246 HA LYS 84 HA LYS 84 -4.879 -8.969 -5.719 247 1HB LYS 84 HB1 LYS 84 -6.193 -8.828 -4.342 248 2HB LYS 84 HB2 LYS 84 -5.351 -7.513 -3.480 249 1HG LYS 84 HG1 LYS 84 -5.781 -5.857 -5.223 250 2HG LYS 84 HG2 LYS 84 -6.772 -7.062 -6.066 251 1HD LYS 84 HD1 LYS 84 -7.818 -7.142 -3.550 252 2HD LYS 84 HD2 LYS 84 -6.861 -5.796 -3.251 253 1HE LYS 84 HE1 LYS 84 -8.103 -4.625 -5.355 254 2HE LYS 84 HE2 LYS 84 -9.125 -6.090 -5.424 255 1HZ LYS 84 HZ3 LYS 84 -9.429 -5.488 -2.885 256 2HZ LYS 84 HZ1 LYS 84 -9.065 -3.923 -3.443 257 3HZ LYS 84 HZ2 LYS 84 -10.378 -4.759 -4.101 258 H ALA 85 HN ALA 85 -3.392 -5.807 -4.704 259 HA ALA 85 HA ALA 85 -3.946 -4.657 -7.232 260 1HB ALA 85 HB1 ALA 85 -3.439 -3.504 -4.864 261 2HB ALA 85 HB2 ALA 85 -1.675 -4.013 -5.106 262 3HB ALA 85 HB3 ALA 85 -2.400 -2.814 -6.184 263 H LEU 86 HN LEU 86 -0.980 -6.014 -5.803 264 HA LEU 86 HA LEU 86 0.720 -5.239 -8.087 265 1HB LEU 86 HB1 LEU 86 1.138 -7.146 -5.763 266 2HB LEU 86 HB2 LEU 86 2.342 -6.551 -6.707 267 HG LEU 86 HG LEU 86 0.382 -4.608 -5.269 268 1HD1 LEU 86 HD22 LEU 86 0.869 -6.176 -3.694 269 2HD1 LEU 86 HD23 LEU 86 2.638 -5.805 -3.785 270 3HD1 LEU 86 HD21 LEU 86 1.406 -4.531 -3.279 271 1HD2 LEU 86 HD11 LEU 86 3.220 -4.113 -6.143 272 2HD2 LEU 86 HD12 LEU 86 1.667 -3.482 -6.845 273 3HD2 LEU 86 HD13 LEU 86 2.134 -2.990 -5.191 274 H LYS 87 HN LYS 87 -0.783 -8.063 -6.719 275 HA LYS 87 HA LYS 87 -0.087 -9.943 -8.399 276 1HB LYS 87 HB1 LYS 87 -2.750 -9.272 -7.182 277 2HB LYS 87 HB2 LYS 87 -3.131 -9.729 -8.677 278 1HG LYS 87 HG1 LYS 87 -1.190 -11.691 -7.448 279 2HG LYS 87 HG2 LYS 87 -2.760 -11.562 -6.664 280 1HD LYS 87 HD1 LYS 87 -3.880 -11.982 -8.929 281 2HD LYS 87 HD2 LYS 87 -2.306 -12.077 -9.688 282 1HE LYS 87 HE1 LYS 87 -1.716 -14.105 -8.267 283 2HE LYS 87 HE2 LYS 87 -3.347 -13.999 -7.482 284 1HZ LYS 87 HZ2 LYS 87 -2.815 -14.362 -10.379 285 2HZ LYS 87 HZ3 LYS 87 -3.297 -15.567 -9.284 286 3HZ LYS 87 HZ1 LYS 87 -4.340 -14.274 -9.641 287 H VAL 88 HN VAL 88 -2.637 -7.728 -9.248 288 HA VAL 88 HA VAL 88 -3.010 -8.259 -11.869 289 HB VAL 88 HB VAL 88 -2.992 -5.583 -10.352 290 1HG1 VAL 88 HG13 VAL 88 -4.067 -5.891 -13.157 291 2HG1 VAL 88 HG11 VAL 88 -4.267 -4.474 -12.023 292 3HG1 VAL 88 HG12 VAL 88 -2.648 -4.887 -12.582 293 1HG2 VAL 88 HG23 VAL 88 -4.625 -7.389 -9.671 294 2HG2 VAL 88 HG21 VAL 88 -5.264 -5.752 -10.025 295 3HG2 VAL 88 HG22 VAL 88 -5.454 -7.086 -11.246 296 H ARG 89 HN ARG 89 -0.311 -6.593 -10.440 297 HA ARG 89 HA ARG 89 0.669 -5.495 -12.960 298 1HB ARG 89 HB1 ARG 89 2.016 -5.391 -10.267 299 2HB ARG 89 HB2 ARG 89 2.055 -4.212 -11.573 300 1HG ARG 89 HG1 ARG 89 -0.618 -4.138 -11.074 301 2HG ARG 89 HG2 ARG 89 -0.199 -4.878 -9.633 302 1HD ARG 89 HD1 ARG 89 1.435 -3.085 -8.971 303 2HD ARG 89 HD2 ARG 89 0.975 -2.173 -10.474 304 HE ARG 89 HE ARG 89 -1.182 -3.062 -8.526 305 1HH1 ARG 89 HH22 ARG 89 1.295 -0.691 -8.844 306 2HH1 ARG 89 HH21 ARG 89 0.437 0.488 -7.910 307 1HH2 ARG 89 HH12 ARG 89 -2.570 -1.314 -7.831 308 2HH2 ARG 89 HH11 ARG 89 -1.738 0.082 -7.252 309 H GLY 90 HN GLY 90 1.471 -7.934 -10.494 310 1HA GLY 90 HA2 GLY 90 2.453 -9.967 -11.119 311 2HA GLY 90 HA1 GLY 90 3.355 -9.174 -12.448 312 H LEU 91 HN LEU 91 2.895 -7.909 -9.108 313 HA LEU 91 HA LEU 91 5.851 -8.009 -8.854 314 1HB LEU 91 HB1 LEU 91 3.720 -6.053 -7.900 315 2HB LEU 91 HB2 LEU 91 5.259 -6.186 -7.040 316 HG LEU 91 HG LEU 91 4.542 -4.676 -9.390 317 1HD1 LEU 91 HD23 LEU 91 7.322 -5.134 -8.131 318 2HD1 LEU 91 HD21 LEU 91 6.884 -3.815 -9.277 319 3HD1 LEU 91 HD22 LEU 91 6.117 -3.876 -7.641 320 1HD2 LEU 91 HD13 LEU 91 6.621 -6.746 -10.178 321 2HD2 LEU 91 HD11 LEU 91 4.948 -6.442 -10.903 322 3HD2 LEU 91 HD12 LEU 91 6.239 -5.232 -11.046 323 H GLN 92 HN GLN 92 6.574 -8.101 -6.511 324 HA GLN 92 HA GLN 92 4.899 -10.114 -5.141 325 1HB GLN 92 HB1 GLN 92 7.867 -9.575 -4.737 326 2HB GLN 92 HB2 GLN 92 6.896 -10.902 -4.047 327 1HG GLN 92 HG1 GLN 92 6.470 -11.710 -6.455 328 2HG GLN 92 HG2 GLN 92 7.618 -10.455 -7.018 329 1HE2 GLN 92 HE21 GLN 92 9.746 -13.516 -6.477 330 2HE2 GLN 92 HE22 GLN 92 8.602 -12.954 -7.623 331 HA PRO 93 HA PRO 93 4.969 -6.906 -2.154 332 1HB PRO 93 HB1 PRO 93 3.140 -7.876 -0.463 333 2HB PRO 93 HB2 PRO 93 2.680 -7.249 -2.026 334 1HG PRO 93 HG1 PRO 93 2.886 -10.114 -1.226 335 2HG PRO 93 HG2 PRO 93 1.716 -9.334 -2.256 336 1HD PRO 93 HD1 PRO 93 3.846 -10.792 -3.212 337 2HD PRO 93 HD2 PRO 93 3.178 -9.459 -4.109 338 H GLU 94 HN GLU 94 5.550 -10.385 -1.486 339 HA GLU 94 HA GLU 94 5.697 -10.013 1.303 340 1HB GLU 94 HB1 GLU 94 7.020 -12.308 -0.217 341 2HB GLU 94 HB2 GLU 94 6.518 -12.290 1.477 342 1HG GLU 94 HG1 GLU 94 4.670 -13.399 0.709 343 2HG GLU 94 HG2 GLU 94 4.067 -11.732 0.345 344 H CYS 95 HN CYS 95 7.996 -9.458 -1.287 345 HA CYS 95 HA CYS 95 10.235 -9.574 0.618 346 1HB CYS 95 HB1 CYS 95 10.075 -9.257 -2.417 347 2HB CYS 95 HB2 CYS 95 11.584 -9.122 -1.485 348 HG1 CYS 95 HG1 CYS 95 11.369 -11.500 -0.317 349 H CYS 96 HN CYS 96 7.866 -7.401 0.033 350 HA CYS 96 HA CYS 96 9.751 -5.117 -0.121 351 1HB CYS 96 HB1 CYS 96 6.827 -5.313 -0.987 352 2HB CYS 96 HB2 CYS 96 7.855 -3.920 -1.134 353 HG1 CYS 96 HG1 CYS 96 7.459 -6.256 -3.135 354 H ALA 97 HN ALA 97 8.701 -3.109 0.811 355 HA ALA 97 HA ALA 97 7.040 -3.769 3.159 356 1HB ALA 97 HB1 ALA 97 9.047 -1.473 3.120 357 2HB ALA 97 HB2 ALA 97 7.871 -1.843 4.397 358 3HB ALA 97 HB3 ALA 97 9.196 -3.012 4.113 359 H VAL 98 HN VAL 98 5.172 -2.645 3.178 360 HA VAL 98 HA VAL 98 4.766 -0.660 1.138 361 HB VAL 98 HB VAL 98 2.676 -0.592 3.229 362 1HG1 VAL 98 HG11 VAL 98 2.429 0.134 0.821 363 2HG1 VAL 98 HG12 VAL 98 2.307 -1.643 0.411 364 3HG1 VAL 98 HG13 VAL 98 1.124 -0.838 1.531 365 1HG2 VAL 98 HG23 VAL 98 3.500 -2.807 3.779 366 2HG2 VAL 98 HG21 VAL 98 1.845 -2.661 3.402 367 3HG2 VAL 98 HG22 VAL 98 2.991 -3.329 2.083 368 H PHE 99 HN PHE 99 3.623 1.394 1.872 369 HA PHE 99 HA PHE 99 4.484 2.462 4.385 370 1HB PHE 99 HB1 PHE 99 5.715 3.388 1.713 371 2HB PHE 99 HB2 PHE 99 5.565 4.476 3.048 372 HD1 PHE 99 HD1 PHE 99 7.059 1.341 1.733 373 HD2 PHE 99 HD2 PHE 99 7.023 3.861 5.191 374 HE1 PHE 99 HE1 PHE 99 9.304 0.602 2.374 375 HE2 PHE 99 HE2 PHE 99 9.249 3.192 5.719 376 HZ PHE 99 HZ PHE 99 10.542 2.057 3.955 377 H ARG 100 HN ARG 100 3.623 4.647 4.671 378 HA ARG 100 HA ARG 100 1.592 5.545 2.643 379 1HB ARG 100 HB1 ARG 100 0.291 5.235 4.314 380 2HB ARG 100 HB2 ARG 100 1.612 5.484 5.505 381 1HG ARG 100 HG1 ARG 100 1.825 7.780 5.163 382 2HG ARG 100 HG2 ARG 100 0.535 7.784 3.915 383 1HD ARG 100 HD1 ARG 100 -0.918 6.674 5.886 384 2HD ARG 100 HD2 ARG 100 0.396 7.135 6.927 385 HE ARG 100 HE ARG 100 -1.405 8.988 5.147 386 1HH1 ARG 100 HH22 ARG 100 1.330 8.902 7.363 387 2HH1 ARG 100 HH21 ARG 100 1.323 10.630 7.594 388 1HH2 ARG 100 HH12 ARG 100 -1.696 11.114 5.846 389 2HH2 ARG 100 HH11 ARG 100 -0.426 11.896 6.748 390 H LEU 101 HN LEU 101 2.086 7.489 1.787 391 HA LEU 101 HA LEU 101 4.842 8.049 1.842 392 1HB LEU 101 HB1 LEU 101 2.457 9.658 0.617 393 2HB LEU 101 HB2 LEU 101 4.165 10.044 0.282 394 HG LEU 101 HG LEU 101 2.695 7.466 -0.498 395 1HD1 LEU 101 HD23 LEU 101 2.293 9.540 -1.904 396 2HD1 LEU 101 HD21 LEU 101 4.047 9.509 -2.315 397 3HD1 LEU 101 HD22 LEU 101 3.007 8.103 -2.758 398 1HD2 LEU 101 HD12 LEU 101 5.641 8.067 -0.344 399 2HD2 LEU 101 HD13 LEU 101 4.730 6.518 -0.152 400 3HD2 LEU 101 HD11 LEU 101 5.047 7.258 -1.810 401 H LEU 102 HN LEU 102 5.676 10.368 2.068 402 HA LEU 102 HA LEU 102 5.124 11.177 4.617 403 1HB LEU 102 HB1 LEU 102 6.834 12.742 4.421 404 2HB LEU 102 HB2 LEU 102 7.355 11.186 3.870 405 HG LEU 102 HG LEU 102 6.590 13.748 2.280 406 1HD1 LEU 102 HD21 LEU 102 8.850 13.740 3.193 407 2HD1 LEU 102 HD22 LEU 102 9.195 12.168 2.391 408 3HD1 LEU 102 HD23 LEU 102 8.857 13.641 1.387 409 1HD2 LEU 102 HD12 LEU 102 7.215 10.978 1.100 410 2HD2 LEU 102 HD13 LEU 102 5.677 11.974 0.903 411 3HD2 LEU 102 HD11 LEU 102 7.208 12.520 0.176 412 H HIS 103 HN HSP 103 3.090 12.077 5.015 413 HA HIS 103 HA HSP 103 2.710 14.685 3.662 414 1HB HIS 103 HB1 HSP 103 0.679 13.180 5.345 415 2HB HIS 103 HB2 HSP 103 0.413 14.614 4.301 416 HD1 HIS 103 HD1 HSP 103 0.054 11.053 4.402 417 HD2 HIS 103 HD2 HSP 103 0.724 13.891 1.391 418 HE1 HIS 103 HE1 HSP 103 -0.589 9.982 2.201 419 HE2 HIS 103 HE2 HSP 103 -0.294 11.756 0.417 420 H GLU 104 HN GLU 104 3.893 13.086 6.474 421 HA GLU 104 HA GLU 104 3.958 15.691 7.826 422 1HB GLU 104 HB1 GLU 104 3.364 13.148 9.412 423 2HB GLU 104 HB2 GLU 104 3.361 14.813 9.981 424 1HG GLU 104 HG1 GLU 104 1.069 14.426 9.836 425 2HG GLU 104 HG2 GLU 104 1.389 15.245 8.261 426 H HIS 105 HN HSP 105 5.832 13.902 6.196 427 HA HIS 105 HA HSP 105 7.842 13.644 8.311 428 1HB HIS 105 HB1 HSP 105 8.267 11.540 6.318 429 2HB HIS 105 HB2 HSP 105 8.379 11.469 8.060 430 HD1 HIS 105 HD1 HSP 105 5.630 11.670 9.113 431 HD2 HIS 105 HD2 HSP 105 6.354 9.801 5.434 432 HE1 HIS 105 HE1 HSP 105 3.617 10.213 8.600 433 HE2 HIS 105 HE2 HSP 105 4.066 9.160 6.346 434 H LYS 106 HN LYS 106 10.092 13.620 7.252 435 HA LYS 106 HA LYS 106 9.974 14.842 4.561 436 1HB LYS 106 HB1 LYS 106 10.526 16.462 6.366 437 2HB LYS 106 HB2 LYS 106 11.819 15.367 6.937 438 1HG LYS 106 HG1 LYS 106 12.969 16.933 5.664 439 2HG LYS 106 HG2 LYS 106 12.852 15.591 4.553 440 1HD LYS 106 HD1 LYS 106 10.753 16.705 3.513 441 2HD LYS 106 HD2 LYS 106 11.063 18.117 4.551 442 1HE LYS 106 HE1 LYS 106 13.332 18.399 3.468 443 2HE LYS 106 HE2 LYS 106 12.975 16.975 2.405 444 1HZ LYS 106 HZ3 LYS 106 11.049 18.145 1.588 445 2HZ LYS 106 HZ1 LYS 106 11.391 19.479 2.578 446 3HZ LYS 106 HZ2 LYS 106 12.466 19.046 1.337 447 H GLY 107 HN GLY 107 11.059 13.727 3.073 448 1HA GLY 107 HA2 GLY 107 12.931 12.780 2.258 449 2HA GLY 107 HA1 GLY 107 13.484 12.321 3.895 450 H LYS 108 HN LYS 108 11.249 10.887 4.891 451 HA LYS 108 HA LYS 108 11.637 8.495 3.205 452 1HB LYS 108 HB1 LYS 108 11.060 8.711 6.182 453 2HB LYS 108 HB2 LYS 108 11.499 7.224 5.229 454 1HG LYS 108 HG1 LYS 108 13.318 9.612 5.822 455 2HG LYS 108 HG2 LYS 108 13.396 7.979 6.523 456 1HD LYS 108 HD1 LYS 108 13.815 7.019 4.208 457 2HD LYS 108 HD2 LYS 108 13.862 8.681 3.562 458 1HE LYS 108 HE1 LYS 108 15.791 9.215 5.112 459 2HE LYS 108 HE2 LYS 108 15.769 7.497 5.680 460 1HZ LYS 108 HZ1 LYS 108 16.131 8.412 2.877 461 2HZ LYS 108 HZ2 LYS 108 17.354 7.867 3.922 462 3HZ LYS 108 HZ3 LYS 108 16.130 6.804 3.415 463 H LYS 109 HN LYS 109 9.755 7.116 4.963 464 HA LYS 109 HA LYS 109 7.108 8.225 4.222 465 1HB LYS 109 HB1 LYS 109 8.571 5.872 3.206 466 2HB LYS 109 HB2 LYS 109 7.402 5.385 3.634 467 1HG LYS 109 HG1 LYS 109 7.196 7.976 1.889 468 2HG LYS 109 HG2 LYS 109 8.729 7.244 1.640 469 1HD LYS 109 HD1 LYS 109 6.150 5.671 1.136 470 2HD LYS 109 HD2 LYS 109 7.047 6.517 -0.102 471 1HE LYS 109 HE1 LYS 109 8.336 4.369 1.678 472 2HE LYS 109 HE2 LYS 109 7.544 3.997 0.106 473 1HZ LYS 109 HZ1 LYS 109 9.039 5.655 -0.905 474 2HZ LYS 109 HZ2 LYS 109 9.875 5.766 0.577 475 3HZ LYS 109 HZ3 LYS 109 9.824 4.292 -0.308 476 H ALA 110 HN ALA 110 5.496 6.583 5.163 477 HA ALA 110 HA ALA 110 6.421 6.022 7.937 478 1HB ALA 110 HB1 ALA 110 3.577 6.629 7.092 479 2HB ALA 110 HB2 ALA 110 4.091 5.922 8.686 480 3HB ALA 110 HB3 ALA 110 4.625 7.572 8.239 481 H ARG 111 HN ARG 111 6.567 3.748 8.384 482 HA ARG 111 HA ARG 111 5.974 2.196 6.020 483 1HB ARG 111 HB1 ARG 111 8.228 2.458 7.360 484 2HB ARG 111 HB2 ARG 111 7.393 1.492 8.617 485 1HG ARG 111 HG1 ARG 111 7.337 0.364 5.829 486 2HG ARG 111 HG2 ARG 111 8.914 0.447 6.623 487 1HD ARG 111 HD1 ARG 111 7.728 -0.571 8.721 488 2HD ARG 111 HD2 ARG 111 6.393 -0.891 7.710 489 HE ARG 111 HE ARG 111 9.228 -1.884 6.883 490 1HH1 ARG 111 HH22 ARG 111 5.983 -2.785 7.990 491 2HH1 ARG 111 HH21 ARG 111 6.441 -4.442 8.178 492 1HH2 ARG 111 HH12 ARG 111 9.446 -4.098 6.384 493 2HH2 ARG 111 HH11 ARG 111 8.358 -5.208 7.157 494 H LEU 112 HN LEU 112 4.757 0.390 6.114 495 HA LEU 112 HA LEU 112 2.736 0.515 8.277 496 1HB LEU 112 HB1 LEU 112 2.501 -0.379 5.359 497 2HB LEU 112 HB2 LEU 112 1.174 -0.372 6.548 498 HG LEU 112 HG LEU 112 2.684 2.130 5.792 499 1HD1 LEU 112 HD13 LEU 112 1.552 1.240 3.761 500 2HD1 LEU 112 HD11 LEU 112 0.003 1.122 4.677 501 3HD1 LEU 112 HD12 LEU 112 0.746 2.740 4.366 502 1HD2 LEU 112 HD21 LEU 112 0.084 1.789 7.300 503 2HD2 LEU 112 HD22 LEU 112 1.679 2.388 7.923 504 3HD2 LEU 112 HD23 LEU 112 0.769 3.351 6.701 505 H ASP 113 HN ASP 113 1.333 -1.698 7.771 506 HA ASP 113 HA ASP 113 3.290 -3.808 8.366 507 1HB ASP 113 HB1 ASP 113 1.522 -3.239 10.196 508 2HB ASP 113 HB2 ASP 113 0.344 -4.049 9.068 509 H TRP 114 HN TRP 114 2.949 -5.812 7.153 510 HA TRP 114 HA TRP 114 1.539 -5.576 5.037 511 1HB TRP 114 HB1 TRP 114 3.315 -7.621 6.442 512 2HB TRP 114 HB2 TRP 114 2.157 -8.463 5.403 513 HD1 TRP 114 HD1 TRP 114 5.549 -7.953 4.779 514 HE1 TRP 114 HE1 TRP 114 6.166 -6.696 2.591 515 HE3 TRP 114 HE3 TRP 114 1.030 -6.623 3.650 516 HZ2 TRP 114 HZ2 TRP 114 4.555 -5.566 0.359 517 HZ3 TRP 114 HZ3 TRP 114 0.425 -5.699 1.387 518 HH2 TRP 114 HH2 TRP 114 2.137 -5.128 -0.166 519 H ASN 115 HN ASN 115 0.359 -6.415 8.072 520 HA ASN 115 HA ASN 115 -2.058 -7.546 6.769 521 1HB ASN 115 HB1 ASN 115 -0.692 -8.202 9.155 522 2HB ASN 115 HB2 ASN 115 -1.883 -7.096 9.765 523 1HD2 ASN 115 HD21 ASN 115 -4.715 -9.170 8.696 524 2HD2 ASN 115 HD22 ASN 115 -4.218 -7.510 8.800 525 H THR 116 HN THR 116 -1.044 -4.663 6.584 526 HA THR 116 HA THR 116 -2.194 -3.502 8.713 527 HB THR 116 HB THR 116 -0.264 -2.577 6.963 528 HG1 THR 116 HG1 THR 116 -1.136 -1.226 9.183 529 1HG2 THR 116 HG21 THR 116 -2.728 -0.699 7.483 530 2HG2 THR 116 HG22 THR 116 -1.077 -0.023 7.605 531 3HG2 THR 116 HG23 THR 116 -1.525 -0.648 6.051 532 H ASP 117 HN ASP 117 -4.060 -2.218 8.976 533 HA ASP 117 HA ASP 117 -6.376 -2.751 7.300 534 1HB ASP 117 HB1 ASP 117 -6.444 -2.294 9.779 535 2HB ASP 117 HB2 ASP 117 -5.965 -0.600 9.415 536 H ALA 118 HN ALA 118 -5.521 -2.168 5.252 537 HA ALA 118 HA ALA 118 -4.621 0.308 4.353 538 1HB ALA 118 HB1 ALA 118 -5.304 -2.125 3.264 539 2HB ALA 118 HB2 ALA 118 -6.861 -1.316 2.952 540 3HB ALA 118 HB3 ALA 118 -5.333 -0.640 2.232 541 H ALA 119 HN ALA 119 -7.819 -0.622 5.535 542 HA ALA 119 HA ALA 119 -9.347 1.559 4.382 543 1HB ALA 119 HB1 ALA 119 -9.138 -0.706 6.512 544 2HB ALA 119 HB2 ALA 119 -10.546 0.459 6.662 545 3HB ALA 119 HB3 ALA 119 -10.329 -0.585 5.199 546 H SER 120 HN SER 120 -6.859 1.400 6.854 547 HA SER 120 HA SER 120 -7.970 3.825 8.133 548 1HB SER 120 HB1 SER 120 -5.625 2.034 8.896 549 2HB SER 120 HB2 SER 120 -6.093 3.554 9.741 550 HG SER 120 HG1 SER 120 -7.814 1.311 9.354 551 H LEU 121 HN LEU 121 -5.887 2.784 5.608 552 HA LEU 121 HA LEU 121 -4.292 5.296 5.753 553 1HB LEU 121 HB1 LEU 121 -3.902 2.872 3.915 554 2HB LEU 121 HB2 LEU 121 -2.863 4.234 4.025 555 HG LEU 121 HG LEU 121 -1.692 2.693 5.366 556 1HD1 LEU 121 HD21 LEU 121 -3.593 4.023 7.388 557 2HD1 LEU 121 HD22 LEU 121 -2.008 3.218 7.777 558 3HD1 LEU 121 HD23 LEU 121 -2.091 4.726 6.758 559 1HD2 LEU 121 HD13 LEU 121 -4.451 1.654 5.992 560 2HD2 LEU 121 HD11 LEU 121 -2.978 0.763 5.532 561 3HD2 LEU 121 HD12 LEU 121 -3.183 1.412 7.247 562 H ILE 122 HN ILE 122 -6.901 4.074 4.855 563 HA ILE 122 HA ILE 122 -7.304 4.603 2.295 564 HB ILE 122 HB ILE 122 -8.996 3.729 4.197 565 1HG1 ILE 122 HG11 ILE 122 -10.807 3.501 2.632 566 2HG1 ILE 122 HG12 ILE 122 -9.906 4.516 1.471 567 1HG2 ILE 122 HG22 ILE 122 -9.632 5.978 5.046 568 2HG2 ILE 122 HG23 ILE 122 -10.312 6.360 3.398 569 3HG2 ILE 122 HG21 ILE 122 -11.038 5.055 4.367 570 1HD1 ILE 122 HD2 ILE 122 -8.346 2.205 2.571 571 2HD1 ILE 122 HD3 ILE 122 -9.823 1.775 1.625 572 3HD1 ILE 122 HD1 ILE 122 -8.642 2.736 0.814 573 H GLY 123 HN GLY 123 -8.087 6.148 0.988 574 1HA GLY 123 HA2 GLY 123 -8.137 8.233 0.108 575 2HA GLY 123 HA1 GLY 123 -8.490 8.804 1.777 576 H GLU 124 HN GLU 124 -5.511 7.058 0.754 577 HA GLU 124 HA GLU 124 -4.005 9.570 1.213 578 1HB GLU 124 HB1 GLU 124 -3.223 6.791 2.181 579 2HB GLU 124 HB2 GLU 124 -2.347 8.303 2.446 580 1HG GLU 124 HG1 GLU 124 -5.240 7.948 3.459 581 2HG GLU 124 HG2 GLU 124 -3.881 7.231 4.327 582 H GLU 125 HN GLU 125 -1.529 8.293 0.917 583 HA GLU 125 HA GLU 125 -1.644 7.152 -1.804 584 1HB GLU 125 HB1 GLU 125 0.300 9.288 -0.809 585 2HB GLU 125 HB2 GLU 125 0.593 8.271 -2.232 586 1HG GLU 125 HG1 GLU 125 -0.730 9.375 -3.622 587 2HG GLU 125 HG2 GLU 125 -2.076 9.438 -2.473 588 H LEU 126 HN LEU 126 -0.537 5.311 -1.933 589 HA LEU 126 HA LEU 126 1.160 4.689 0.387 590 1HB LEU 126 HB1 LEU 126 -0.392 2.830 -1.510 591 2HB LEU 126 HB2 LEU 126 0.889 2.233 -0.465 592 HG LEU 126 HG LEU 126 -1.912 2.772 0.178 593 1HD1 LEU 126 HD22 LEU 126 -0.713 0.655 0.721 594 2HD1 LEU 126 HD23 LEU 126 0.374 1.560 1.851 595 3HD1 LEU 126 HD21 LEU 126 -1.392 1.436 2.201 596 1HD2 LEU 126 HD12 LEU 126 -1.249 4.920 1.113 597 2HD2 LEU 126 HD13 LEU 126 -1.691 3.776 2.387 598 3HD2 LEU 126 HD11 LEU 126 0.042 4.063 2.145 599 H GLN 127 HN GLN 127 3.041 3.263 -0.112 600 HA GLN 127 HA GLN 127 3.782 3.160 -2.908 601 1HB GLN 127 HB1 GLN 127 4.756 5.388 -1.999 602 2HB GLN 127 HB2 GLN 127 5.783 4.387 -0.956 603 1HG GLN 127 HG1 GLN 127 6.070 3.336 -3.654 604 2HG GLN 127 HG2 GLN 127 5.937 5.149 -3.848 605 1HE2 GLN 127 HE21 GLN 127 9.428 3.833 -2.443 606 2HE2 GLN 127 HE22 GLN 127 8.190 2.714 -2.889 607 H VAL 128 HN VAL 128 5.596 1.588 -3.171 608 HA VAL 128 HA VAL 128 5.850 -0.123 -0.761 609 HB VAL 128 HB VAL 128 5.699 -0.890 -3.701 610 1HG1 VAL 128 HG13 VAL 128 6.415 -2.617 -1.257 611 2HG1 VAL 128 HG11 VAL 128 6.025 -3.241 -2.907 612 3HG1 VAL 128 HG12 VAL 128 7.492 -2.245 -2.684 613 1HG2 VAL 128 HG21 VAL 128 3.499 -0.661 -2.506 614 2HG2 VAL 128 HG22 VAL 128 3.873 -2.319 -3.069 615 3HG2 VAL 128 HG23 VAL 128 4.068 -1.903 -1.300 616 H ASP 129 HN ASP 129 7.955 -0.944 -0.366 617 HA ASP 129 HA ASP 129 10.026 -0.055 -2.183 618 1HB ASP 129 HB1 ASP 129 9.378 1.498 0.177 619 2HB ASP 129 HB2 ASP 129 10.869 0.579 0.599 620 H PHE 130 HN PHE 130 12.173 -0.616 -0.260 621 HA PHE 130 HA PHE 130 12.209 -3.401 -0.555 622 1HB PHE 130 HB1 PHE 130 14.171 -3.062 1.307 623 2HB PHE 130 HB2 PHE 130 14.407 -2.673 -0.425 624 HD1 PHE 130 HD1 PHE 130 13.234 -1.180 2.835 625 HD2 PHE 130 HD2 PHE 130 14.801 -0.389 -1.070 626 HE1 PHE 130 HE1 PHE 130 13.476 1.187 3.396 627 HE2 PHE 130 HE2 PHE 130 15.038 1.970 -0.487 628 HZ PHE 130 HZ PHE 130 14.372 2.773 1.742 629 H LEU 131 HN LEU 131 12.496 -4.926 1.298 630 HA LEU 131 HA LEU 131 10.273 -4.867 2.695 631 1HB LEU 131 HB1 LEU 131 11.865 -6.718 4.173 632 2HB LEU 131 HB2 LEU 131 10.882 -7.115 2.669 633 HG LEU 131 HG LEU 131 12.865 -6.585 1.281 634 1HD1 LEU 131 HD22 LEU 131 14.290 -6.439 4.023 635 2HD1 LEU 131 HD23 LEU 131 15.126 -6.667 2.438 636 3HD1 LEU 131 HD21 LEU 131 14.229 -5.148 2.751 637 1HD2 LEU 131 HD12 LEU 131 12.290 -8.882 1.819 638 2HD2 LEU 131 HD13 LEU 131 14.068 -8.622 1.671 639 3HD2 LEU 131 HD11 LEU 131 13.313 -8.802 3.305 640 H ASP 132 HN ASP 132 13.162 -3.521 3.542 641 HA ASP 132 HA ASP 132 12.815 -3.405 6.331 642 1HB ASP 132 HB1 ASP 132 14.275 -1.201 4.788 643 2HB ASP 132 HB2 ASP 132 14.562 -1.771 6.488 No H/Q in entry = 643 Start of MODEL 30 1 1H SER 55 HT1 SER 55 -13.744 7.386 3.048 2 2H SER 55 HT3 SER 55 -12.085 7.396 3.298 3 3H SER 55 HT2 SER 55 -12.821 8.704 2.479 4 HA SER 55 HA SER 55 -13.412 7.303 0.665 5 1HB SER 55 HB1 SER 55 -11.003 8.377 0.939 6 2HB SER 55 HB2 SER 55 -10.461 6.702 1.287 7 HG SER 55 HG1 SER 55 -11.692 7.770 -1.041 8 H ASN 56 HN ASN 56 -12.403 5.186 -0.444 9 HA ASN 56 HA ASN 56 -12.095 3.038 1.495 10 1HB ASN 56 HB1 ASN 56 -14.551 3.080 0.894 11 2HB ASN 56 HB2 ASN 56 -14.054 2.690 -0.804 12 1HD2 ASN 56 HD21 ASN 56 -14.411 -0.707 0.440 13 2HD2 ASN 56 HD22 ASN 56 -15.063 0.534 -0.580 14 H THR 57 HN THR 57 -10.500 4.785 -0.340 15 HA THR 57 HA THR 57 -9.382 2.643 -2.000 16 HB THR 57 HB THR 57 -9.217 4.052 -3.975 17 HG1 THR 57 HG1 THR 57 -10.445 5.945 -2.249 18 1HG2 THR 57 HG21 THR 57 -11.468 2.844 -3.632 19 2HG2 THR 57 HG22 THR 57 -12.116 4.394 -2.968 20 3HG2 THR 57 HG23 THR 57 -11.537 4.323 -4.674 21 H ILE 58 HN ILE 58 -7.151 2.968 -2.444 22 HA ILE 58 HA ILE 58 -5.980 5.421 -1.439 23 HB ILE 58 HB ILE 58 -4.338 2.987 -0.788 24 1HG1 ILE 58 HG11 ILE 58 -5.400 3.004 1.595 25 2HG1 ILE 58 HG12 ILE 58 -6.863 3.559 0.773 26 1HG2 ILE 58 HG22 ILE 58 -4.744 5.673 0.629 27 2HG2 ILE 58 HG23 ILE 58 -3.715 4.347 1.230 28 3HG2 ILE 58 HG21 ILE 58 -3.312 5.098 -0.349 29 1HD1 ILE 58 HD1 ILE 58 -5.221 1.035 0.017 30 2HD1 ILE 58 HD2 ILE 58 -6.679 1.041 1.072 31 3HD1 ILE 58 HD3 ILE 58 -6.829 1.500 -0.666 32 H ARG 59 HN ARG 59 -3.598 5.558 -2.378 33 HA ARG 59 HA ARG 59 -3.766 4.263 -4.996 34 1HB ARG 59 HB1 ARG 59 -2.087 6.563 -3.911 35 2HB ARG 59 HB2 ARG 59 -1.895 5.847 -5.534 36 1HG ARG 59 HG1 ARG 59 -3.237 7.538 -6.102 37 2HG ARG 59 HG2 ARG 59 -4.452 6.311 -5.877 38 1HD ARG 59 HD1 ARG 59 -3.869 7.799 -3.338 39 2HD ARG 59 HD2 ARG 59 -4.330 8.915 -4.679 40 HE ARG 59 HE ARG 59 -6.350 7.336 -5.052 41 1HH1 ARG 59 HH22 ARG 59 -5.161 8.576 -1.975 42 2HH1 ARG 59 HH21 ARG 59 -6.712 9.166 -1.592 43 1HH2 ARG 59 HH12 ARG 59 -8.292 6.949 -3.742 44 2HH2 ARG 59 HH11 ARG 59 -8.530 8.162 -2.568 45 H VAL 60 HN VAL 60 -1.814 3.336 -5.868 46 HA VAL 60 HA VAL 60 0.038 2.412 -3.752 47 HB VAL 60 HB VAL 60 -0.805 0.523 -5.948 48 1HG1 VAL 60 HG13 VAL 60 1.387 0.166 -4.775 49 2HG1 VAL 60 HG11 VAL 60 0.492 -0.006 -3.228 50 3HG1 VAL 60 HG12 VAL 60 0.194 -1.183 -4.574 51 1HG2 VAL 60 HG23 VAL 60 -2.018 0.629 -3.134 52 2HG2 VAL 60 HG21 VAL 60 -2.874 0.938 -4.693 53 3HG2 VAL 60 HG22 VAL 60 -2.211 -0.704 -4.339 54 H PHE 61 HN PHE 61 1.881 3.351 -4.314 55 HA PHE 61 HA PHE 61 2.497 3.735 -7.194 56 1HB PHE 61 HB1 PHE 61 3.492 4.954 -4.598 57 2HB PHE 61 HB2 PHE 61 4.479 5.031 -6.151 58 HD1 PHE 61 HD2 PHE 61 0.963 5.548 -4.801 59 HD2 PHE 61 HD1 PHE 61 4.040 6.950 -7.427 60 HE1 PHE 61 HE2 PHE 61 -0.338 7.556 -5.262 61 HE2 PHE 61 HE1 PHE 61 2.743 8.989 -7.820 62 HZ PHE 61 HZ PHE 61 0.583 9.326 -6.688 63 H LEU 62 HN LEU 62 4.319 2.638 -8.156 64 HA LEU 62 HA LEU 62 5.291 0.512 -6.374 65 1HB LEU 62 HB1 LEU 62 5.517 0.998 -9.321 66 2HB LEU 62 HB2 LEU 62 6.712 -0.057 -8.491 67 HG LEU 62 HG LEU 62 4.595 -1.071 -9.634 68 1HD1 LEU 62 HD13 LEU 62 6.056 -2.355 -8.081 69 2HD1 LEU 62 HD11 LEU 62 4.975 -1.839 -6.705 70 3HD1 LEU 62 HD12 LEU 62 4.327 -2.843 -8.043 71 1HD2 LEU 62 HD21 LEU 62 2.937 0.585 -8.748 72 2HD2 LEU 62 HD22 LEU 62 2.511 -1.143 -8.429 73 3HD2 LEU 62 HD23 LEU 62 3.167 -0.131 -7.097 74 HA PRO 63 HA PRO 63 8.576 2.686 -5.186 75 1HB PRO 63 HB1 PRO 63 10.685 0.731 -5.706 76 2HB PRO 63 HB2 PRO 63 10.009 1.234 -4.192 77 1HG PRO 63 HG1 PRO 63 9.444 -1.156 -5.759 78 2HG PRO 63 HG2 PRO 63 8.871 -0.794 -4.154 79 1HD PRO 63 HD1 PRO 63 7.176 -0.919 -6.280 80 2HD PRO 63 HD2 PRO 63 6.873 0.127 -4.978 81 H ASN 64 HN ASN 64 8.572 4.281 -6.843 82 HA ASN 64 HA ASN 64 9.760 5.615 -8.043 83 1HB ASN 64 HB1 ASN 64 11.900 4.281 -7.054 84 2HB ASN 64 HB2 ASN 64 12.026 3.681 -8.739 85 1HD2 ASN 64 HD21 ASN 64 12.753 7.037 -10.032 86 2HD2 ASN 64 HD22 ASN 64 11.898 5.587 -10.445 87 H LYS 65 HN LYS 65 8.106 3.102 -8.911 88 HA LYS 65 HA LYS 65 8.555 3.547 -11.787 89 1HB LYS 65 HB1 LYS 65 7.279 1.056 -10.565 90 2HB LYS 65 HB2 LYS 65 7.942 1.302 -12.242 91 1HG LYS 65 HG1 LYS 65 9.518 1.267 -9.586 92 2HG LYS 65 HG2 LYS 65 9.227 -0.166 -10.557 93 1HD LYS 65 HD1 LYS 65 10.748 0.347 -12.188 94 2HD LYS 65 HD2 LYS 65 10.397 2.096 -12.142 95 1HE LYS 65 HE1 LYS 65 12.732 1.499 -11.376 96 2HE LYS 65 HE2 LYS 65 11.758 2.521 -10.244 97 1HZ LYS 65 HZ3 LYS 65 11.754 -0.402 -9.980 98 2HZ LYS 65 HZ1 LYS 65 13.021 0.539 -9.335 99 3HZ LYS 65 HZ2 LYS 65 11.429 0.809 -8.823 100 H GLN 66 HN GLN 66 5.922 1.714 -10.758 101 HA GLN 66 HA GLN 66 4.292 3.521 -12.018 102 1HB GLN 66 HB1 GLN 66 4.121 0.641 -11.026 103 2HB GLN 66 HB2 GLN 66 2.619 1.384 -11.544 104 1HG GLN 66 HG1 GLN 66 3.396 0.192 -13.416 105 2HG GLN 66 HG2 GLN 66 3.620 1.950 -13.793 106 1HE2 GLN 66 HE21 GLN 66 6.886 -0.562 -13.121 107 2HE2 GLN 66 HE22 GLN 66 5.291 -1.129 -12.874 108 H ARG 67 HN ARG 67 1.758 3.271 -11.394 109 HA ARG 67 HA ARG 67 1.340 3.547 -8.594 110 1HB ARG 67 HB1 ARG 67 0.254 5.823 -8.853 111 2HB ARG 67 HB2 ARG 67 2.028 5.811 -8.842 112 1HG ARG 67 HG1 ARG 67 1.188 5.502 -11.602 113 2HG ARG 67 HG2 ARG 67 0.229 6.791 -10.909 114 1HD ARG 67 HD1 ARG 67 2.168 8.089 -10.217 115 2HD ARG 67 HD2 ARG 67 3.292 6.733 -10.564 116 HE ARG 67 HE ARG 67 1.635 8.260 -12.649 117 1HH1 ARG 67 HH22 ARG 67 4.103 5.823 -12.017 118 2HH1 ARG 67 HH21 ARG 67 4.249 5.426 -13.684 119 1HH2 ARG 67 HH12 ARG 67 2.456 8.224 -14.786 120 2HH2 ARG 67 HH11 ARG 67 3.368 6.836 -15.271 121 H THR 68 HN THR 68 -1.051 3.973 -8.219 122 HA THR 68 HA THR 68 -2.876 3.781 -10.282 123 HB THR 68 HB THR 68 -1.958 1.472 -10.721 124 HG1 THR 68 HG1 THR 68 -3.996 0.457 -10.465 125 1HG2 THR 68 HG21 THR 68 -1.312 0.946 -8.305 126 2HG2 THR 68 HG22 THR 68 -3.074 0.729 -7.954 127 3HG2 THR 68 HG23 THR 68 -2.252 -0.339 -9.152 128 H VAL 69 HN VAL 69 -5.035 2.621 -9.158 129 HA VAL 69 HA VAL 69 -5.023 3.565 -6.353 130 HB VAL 69 HB VAL 69 -7.502 3.810 -8.055 131 1HG1 VAL 69 HG12 VAL 69 -6.585 5.187 -5.480 132 2HG1 VAL 69 HG13 VAL 69 -8.121 5.519 -6.383 133 3HG1 VAL 69 HG11 VAL 69 -7.837 3.900 -5.649 134 1HG2 VAL 69 HG21 VAL 69 -5.378 5.999 -7.794 135 2HG2 VAL 69 HG22 VAL 69 -5.943 5.190 -9.307 136 3HG2 VAL 69 HG23 VAL 69 -7.078 6.228 -8.372 137 H VAL 70 HN VAL 70 -6.122 2.173 -4.944 138 HA VAL 70 HA VAL 70 -7.332 -0.200 -6.245 139 HB VAL 70 HB VAL 70 -6.457 -1.561 -4.378 140 1HG1 VAL 70 HG12 VAL 70 -5.267 -1.597 -6.530 141 2HG1 VAL 70 HG13 VAL 70 -4.258 -0.200 -6.007 142 3HG1 VAL 70 HG11 VAL 70 -4.148 -1.783 -5.124 143 1HG2 VAL 70 HG23 VAL 70 -4.802 0.922 -3.659 144 2HG2 VAL 70 HG21 VAL 70 -6.085 0.132 -2.655 145 3HG2 VAL 70 HG22 VAL 70 -4.557 -0.751 -3.016 146 H ASN 71 HN ASN 71 -8.829 -1.335 -4.750 147 HA ASN 71 HA ASN 71 -10.183 0.628 -2.980 148 1HB ASN 71 HB1 ASN 71 -11.331 -1.731 -4.586 149 2HB ASN 71 HB2 ASN 71 -12.221 -0.863 -3.262 150 1HD2 ASN 71 HD21 ASN 71 -11.534 1.115 -6.846 151 2HD2 ASN 71 HD22 ASN 71 -10.518 -0.214 -6.404 152 H VAL 72 HN VAL 72 -10.894 -0.246 -0.932 153 HA VAL 72 HA VAL 72 -9.254 -2.527 -0.203 154 HB VAL 72 HB VAL 72 -10.760 -0.481 1.505 155 1HG1 VAL 72 HG11 VAL 72 -8.934 -2.810 2.362 156 2HG1 VAL 72 HG12 VAL 72 -9.347 -1.419 3.410 157 3HG1 VAL 72 HG13 VAL 72 -10.671 -2.476 2.872 158 1HG2 VAL 72 HG21 VAL 72 -7.755 -0.904 1.005 159 2HG2 VAL 72 HG22 VAL 72 -8.751 0.477 0.438 160 3HG2 VAL 72 HG23 VAL 72 -8.466 0.215 2.221 161 H ARG 73 HN ARG 73 -12.077 -2.194 -1.551 162 HA ARG 73 HA ARG 73 -13.969 -3.422 -1.657 163 1HB ARG 73 HB1 ARG 73 -12.061 -5.161 -1.795 164 2HB ARG 73 HB2 ARG 73 -12.409 -5.569 -0.160 165 1HG ARG 73 HG1 ARG 73 -13.707 -7.116 -1.556 166 2HG ARG 73 HG2 ARG 73 -14.943 -5.921 -1.106 167 1HD ARG 73 HD1 ARG 73 -15.154 -6.339 -3.490 168 2HD ARG 73 HD2 ARG 73 -14.453 -4.679 -3.304 169 HE ARG 73 HE ARG 73 -12.694 -7.121 -3.764 170 1HH1 ARG 73 HH22 ARG 73 -14.548 -4.653 -5.302 171 2HH1 ARG 73 HH21 ARG 73 -13.656 -4.767 -6.780 172 1HH2 ARG 73 HH12 ARG 73 -11.231 -6.972 -5.513 173 2HH2 ARG 73 HH11 ARG 73 -11.769 -6.092 -6.900 174 H ASN 74 HN ASN 74 -14.180 -5.567 0.759 175 HA ASN 74 HA ASN 74 -15.597 -3.673 2.439 176 1HB ASN 74 HB1 ASN 74 -16.369 -6.141 1.341 177 2HB ASN 74 HB2 ASN 74 -15.845 -6.647 2.970 178 1HD2 ASN 74 HD21 ASN 74 -18.343 -4.538 4.670 179 2HD2 ASN 74 HD22 ASN 74 -16.662 -4.955 4.781 180 H GLY 75 HN GLY 75 -12.599 -4.713 2.330 181 1HA GLY 75 HA2 GLY 75 -11.645 -4.033 4.574 182 2HA GLY 75 HA1 GLY 75 -12.380 -5.566 5.157 183 H MET 76 HN MET 76 -10.388 -4.461 2.330 184 HA MET 76 HA MET 76 -8.890 -6.869 2.396 185 1HB MET 76 HB1 MET 76 -8.662 -4.251 0.881 186 2HB MET 76 HB2 MET 76 -7.397 -5.323 0.809 187 1HG MET 76 HG1 MET 76 -9.186 -7.200 0.126 188 2HG MET 76 HG2 MET 76 -10.369 -5.969 0.130 189 1HE MET 76 HE1 MET 76 -10.719 -6.895 -2.516 190 2HE MET 76 HE2 MET 76 -9.449 -6.791 -3.783 191 3HE MET 76 HE3 MET 76 -9.259 -7.934 -2.421 192 H SER 77 HN SER 77 -6.665 -7.110 2.798 193 HA SER 77 HA SER 77 -5.583 -5.264 4.887 194 1HB SER 77 HB1 SER 77 -5.740 -8.059 4.811 195 2HB SER 77 HB2 SER 77 -4.207 -7.756 4.072 196 HG SER 77 HG1 SER 77 -5.415 -6.930 6.601 197 H LEU 78 HN LEU 78 -3.308 -4.867 4.746 198 HA LEU 78 HA LEU 78 -2.531 -3.706 2.444 199 1HB LEU 78 HB1 LEU 78 -1.151 -4.804 4.863 200 2HB LEU 78 HB2 LEU 78 -0.086 -4.451 3.443 201 HG LEU 78 HG LEU 78 -0.214 -2.592 5.032 202 1HD1 LEU 78 HD21 LEU 78 -0.196 -2.496 2.275 203 2HD1 LEU 78 HD22 LEU 78 -1.616 -1.604 2.566 204 3HD1 LEU 78 HD23 LEU 78 -0.296 -0.923 3.464 205 1HD2 LEU 78 HD12 LEU 78 -3.041 -2.368 3.832 206 2HD2 LEU 78 HD13 LEU 78 -2.649 -2.538 5.571 207 3HD2 LEU 78 HD11 LEU 78 -2.216 -1.021 4.525 208 H HIS 79 HN HSP 79 -1.328 -6.878 3.502 209 HA HIS 79 HA HSP 79 -0.127 -7.586 1.217 210 1HB HIS 79 HB1 HSP 79 -1.350 -9.117 3.511 211 2HB HIS 79 HB2 HSP 79 -1.257 -10.073 2.034 212 HD1 HIS 79 HD1 HSP 79 0.395 -10.715 4.541 213 HD2 HIS 79 HD2 HSP 79 2.009 -8.257 1.616 214 HE1 HIS 79 HE1 HSP 79 2.930 -10.435 4.771 215 HE2 HIS 79 HE2 HSP 79 3.767 -9.457 2.751 216 H ASP 80 HN ASP 80 -3.514 -8.629 2.037 217 HA ASP 80 HA ASP 80 -3.877 -9.828 -0.465 218 1HB ASP 80 HB1 ASP 80 -5.948 -8.606 1.503 219 2HB ASP 80 HB2 ASP 80 -6.382 -9.703 0.175 220 H CYS 81 HN CYS 81 -4.207 -6.517 0.661 221 HA CYS 81 HA CYS 81 -5.896 -5.736 -1.504 222 1HB CYS 81 HB1 CYS 81 -5.507 -4.844 1.046 223 2HB CYS 81 HB2 CYS 81 -4.277 -3.882 0.327 224 HG1 CYS 81 HG1 CYS 81 -5.711 -2.989 -1.803 225 H LEU 82 HN LEU 82 -2.459 -5.773 -0.820 226 HA LEU 82 HA LEU 82 -1.826 -4.160 -3.181 227 1HB LEU 82 HB1 LEU 82 -0.285 -5.656 -0.974 228 2HB LEU 82 HB2 LEU 82 0.575 -5.080 -2.298 229 HG LEU 82 HG LEU 82 -0.281 -3.838 0.111 230 1HD1 LEU 82 HD13 LEU 82 0.727 -2.448 -2.511 231 2HD1 LEU 82 HD11 LEU 82 0.644 -1.585 -0.929 232 3HD1 LEU 82 HD12 LEU 82 1.783 -2.971 -1.143 233 1HD2 LEU 82 HD22 LEU 82 -1.965 -2.596 -2.008 234 2HD2 LEU 82 HD23 LEU 82 -2.413 -3.367 -0.435 235 3HD2 LEU 82 HD21 LEU 82 -1.527 -1.814 -0.420 236 H MET 83 HN MET 83 -1.537 -7.422 -1.922 237 HA MET 83 HA MET 83 -0.258 -8.678 -4.069 238 1HB MET 83 HB1 MET 83 -0.993 -9.646 -1.800 239 2HB MET 83 HB2 MET 83 -2.647 -9.424 -2.212 240 1HG MET 83 HG1 MET 83 -2.979 -11.043 -3.641 241 2HG MET 83 HG2 MET 83 -1.303 -11.109 -4.190 242 1HE MET 83 HE2 MET 83 0.660 -12.362 -3.028 243 2HE MET 83 HE3 MET 83 0.547 -11.303 -1.582 244 3HE MET 83 HE1 MET 83 0.627 -13.082 -1.387 245 H LYS 84 HN LYS 84 -3.525 -7.316 -3.839 246 HA LYS 84 HA LYS 84 -4.782 -8.251 -6.289 247 1HB LYS 84 HB1 LYS 84 -6.186 -7.840 -5.075 248 2HB LYS 84 HB2 LYS 84 -5.184 -6.724 -4.093 249 1HG LYS 84 HG1 LYS 84 -5.164 -4.952 -5.711 250 2HG LYS 84 HG2 LYS 84 -6.252 -5.898 -6.748 251 1HD LYS 84 HD1 LYS 84 -7.457 -5.986 -4.266 252 2HD LYS 84 HD2 LYS 84 -6.443 -4.713 -3.917 253 1HE LYS 84 HE1 LYS 84 -7.563 -3.307 -5.828 254 2HE LYS 84 HE2 LYS 84 -8.350 -4.808 -6.441 255 1HZ LYS 84 HZ1 LYS 84 -9.507 -4.943 -4.276 256 2HZ LYS 84 HZ2 LYS 84 -8.915 -3.428 -3.863 257 3HZ LYS 84 HZ3 LYS 84 -9.947 -3.614 -5.230 258 H ALA 85 HN ALA 85 -2.931 -5.319 -5.246 259 HA ALA 85 HA ALA 85 -3.046 -4.092 -7.799 260 1HB ALA 85 HB1 ALA 85 -2.460 -3.068 -5.418 261 2HB ALA 85 HB2 ALA 85 -0.836 -3.902 -5.552 262 3HB ALA 85 HB3 ALA 85 -1.257 -2.605 -6.702 263 H LEU 86 HN LEU 86 -0.367 -5.814 -6.136 264 HA LEU 86 HA LEU 86 1.455 -5.406 -8.349 265 1HB LEU 86 HB1 LEU 86 1.465 -7.397 -6.015 266 2HB LEU 86 HB2 LEU 86 2.811 -7.021 -6.890 267 HG LEU 86 HG LEU 86 1.129 -4.785 -5.520 268 1HD1 LEU 86 HD22 LEU 86 1.156 -6.337 -3.942 269 2HD1 LEU 86 HD23 LEU 86 2.966 -6.463 -3.944 270 3HD1 LEU 86 HD21 LEU 86 2.095 -4.910 -3.468 271 1HD2 LEU 86 HD12 LEU 86 2.705 -3.916 -7.019 272 2HD2 LEU 86 HD13 LEU 86 3.067 -3.459 -5.330 273 3HD2 LEU 86 HD11 LEU 86 4.071 -4.750 -6.151 274 H LYS 87 HN LYS 87 -0.532 -7.983 -7.085 275 HA LYS 87 HA LYS 87 -0.035 -9.908 -8.811 276 1HB LYS 87 HB1 LYS 87 -2.577 -8.912 -7.591 277 2HB LYS 87 HB2 LYS 87 -3.007 -9.308 -9.116 278 1HG LYS 87 HG1 LYS 87 -1.363 -11.443 -7.695 279 2HG LYS 87 HG2 LYS 87 -3.005 -11.180 -7.177 280 1HD LYS 87 HD1 LYS 87 -3.759 -12.468 -8.945 281 2HD LYS 87 HD2 LYS 87 -3.137 -11.240 -10.072 282 1HE LYS 87 HE1 LYS 87 -1.493 -13.604 -8.940 283 2HE LYS 87 HE2 LYS 87 -2.243 -13.516 -10.584 284 1HZ LYS 87 HZ3 LYS 87 -0.934 -11.362 -10.791 285 2HZ LYS 87 HZ1 LYS 87 -0.030 -11.923 -9.475 286 3HZ LYS 87 HZ2 LYS 87 -0.101 -12.843 -10.903 287 H VAL 88 HN VAL 88 -2.288 -7.354 -9.632 288 HA VAL 88 HA VAL 88 -2.597 -7.764 -12.293 289 HB VAL 88 HB VAL 88 -2.229 -5.001 -10.956 290 1HG1 VAL 88 HG13 VAL 88 -3.688 -5.589 -13.516 291 2HG1 VAL 88 HG11 VAL 88 -3.680 -4.034 -12.568 292 3HG1 VAL 88 HG12 VAL 88 -2.157 -4.619 -13.244 293 1HG2 VAL 88 HG22 VAL 88 -4.203 -6.951 -10.318 294 2HG2 VAL 88 HG23 VAL 88 -4.045 -5.232 -9.785 295 3HG2 VAL 88 HG21 VAL 88 -5.005 -5.635 -11.262 296 H ARG 89 HN ARG 89 0.066 -6.026 -10.678 297 HA ARG 89 HA ARG 89 1.143 -5.060 -13.128 298 1HB ARG 89 HB1 ARG 89 2.421 -5.156 -10.368 299 2HB ARG 89 HB2 ARG 89 2.770 -4.022 -11.664 300 1HG ARG 89 HG1 ARG 89 -0.112 -3.927 -11.081 301 2HG ARG 89 HG2 ARG 89 0.674 -4.039 -9.546 302 1HD ARG 89 HD1 ARG 89 0.654 -1.736 -9.808 303 2HD ARG 89 HD2 ARG 89 2.256 -2.070 -10.617 304 HE ARG 89 HE ARG 89 0.843 -2.183 -12.800 305 1HH1 ARG 89 HH22 ARG 89 0.612 0.102 -10.166 306 2HH1 ARG 89 HH21 ARG 89 0.161 1.415 -11.206 307 1HH2 ARG 89 HH12 ARG 89 -0.275 -0.590 -14.047 308 2HH2 ARG 89 HH11 ARG 89 -0.294 1.024 -13.426 309 H GLY 90 HN GLY 90 1.790 -7.777 -10.911 310 1HA GLY 90 HA2 GLY 90 2.717 -9.746 -11.759 311 2HA GLY 90 HA1 GLY 90 3.710 -8.828 -12.935 312 H LEU 91 HN LEU 91 3.104 -8.126 -9.461 313 HA LEU 91 HA LEU 91 5.981 -8.666 -8.964 314 1HB LEU 91 HB1 LEU 91 4.200 -6.325 -8.144 315 2HB LEU 91 HB2 LEU 91 5.655 -6.688 -7.308 316 HG LEU 91 HG LEU 91 6.440 -6.761 -10.076 317 1HD1 LEU 91 HD23 LEU 91 4.453 -5.636 -10.767 318 2HD1 LEU 91 HD21 LEU 91 4.849 -4.232 -9.638 319 3HD1 LEU 91 HD22 LEU 91 5.918 -4.647 -11.011 320 1HD2 LEU 91 HD11 LEU 91 7.868 -6.105 -8.124 321 2HD2 LEU 91 HD12 LEU 91 7.929 -4.937 -9.501 322 3HD2 LEU 91 HD13 LEU 91 6.967 -4.543 -8.023 323 H GLN 92 HN GLN 92 6.319 -8.558 -6.431 324 HA GLN 92 HA GLN 92 4.136 -10.161 -5.244 325 1HB GLN 92 HB1 GLN 92 5.804 -11.425 -3.981 326 2HB GLN 92 HB2 GLN 92 5.980 -11.674 -5.711 327 1HG GLN 92 HG1 GLN 92 7.962 -10.352 -5.926 328 2HG GLN 92 HG2 GLN 92 7.683 -9.473 -4.447 329 1HE2 GLN 92 HE21 GLN 92 9.494 -13.049 -3.756 330 2HE2 GLN 92 HE22 GLN 92 8.769 -12.851 -5.274 331 HA PRO 93 HA PRO 93 4.927 -7.099 -2.229 332 1HB PRO 93 HB1 PRO 93 3.123 -7.875 -0.370 333 2HB PRO 93 HB2 PRO 93 2.653 -7.126 -1.883 334 1HG PRO 93 HG1 PRO 93 2.472 -9.992 -1.103 335 2HG PRO 93 HG2 PRO 93 1.402 -9.047 -2.119 336 1HD PRO 93 HD1 PRO 93 3.270 -10.829 -3.095 337 2HD PRO 93 HD2 PRO 93 2.731 -9.448 -4.004 338 H GLU 94 HN GLU 94 5.337 -10.533 -1.596 339 HA GLU 94 HA GLU 94 5.521 -10.457 1.108 340 1HB GLU 94 HB1 GLU 94 7.038 -12.355 -0.755 341 2HB GLU 94 HB2 GLU 94 6.987 -12.547 1.003 342 1HG GLU 94 HG1 GLU 94 5.213 -13.894 0.651 343 2HG GLU 94 HG2 GLU 94 4.282 -12.339 0.595 344 H CYS 95 HN CYS 95 8.184 -9.895 -1.262 345 HA CYS 95 HA CYS 95 10.062 -9.642 0.955 346 1HB CYS 95 HB1 CYS 95 10.379 -9.460 -2.078 347 2HB CYS 95 HB2 CYS 95 11.714 -9.273 -0.915 348 HG1 CYS 95 HG1 CYS 95 9.694 -11.848 -1.464 349 H CYS 96 HN CYS 96 7.769 -7.595 0.025 350 HA CYS 96 HA CYS 96 9.574 -5.257 -0.116 351 1HB CYS 96 HB1 CYS 96 6.642 -5.502 -0.912 352 2HB CYS 96 HB2 CYS 96 7.688 -4.121 -1.158 353 HG1 CYS 96 HG1 CYS 96 9.531 -5.338 -2.602 354 H ALA 97 HN ALA 97 8.505 -3.238 0.790 355 HA ALA 97 HA ALA 97 6.911 -3.869 3.191 356 1HB ALA 97 HB2 ALA 97 9.043 -1.669 3.057 357 2HB ALA 97 HB3 ALA 97 7.891 -1.950 4.383 358 3HB ALA 97 HB1 ALA 97 9.139 -3.204 4.051 359 H VAL 98 HN VAL 98 5.082 -2.668 3.281 360 HA VAL 98 HA VAL 98 4.688 -0.696 1.242 361 HB VAL 98 HB VAL 98 2.670 -0.570 3.427 362 1HG1 VAL 98 HG13 VAL 98 2.452 0.130 0.916 363 2HG1 VAL 98 HG11 VAL 98 1.999 -1.624 0.695 364 3HG1 VAL 98 HG12 VAL 98 1.080 -0.531 1.815 365 1HG2 VAL 98 HG22 VAL 98 3.400 -2.805 3.916 366 2HG2 VAL 98 HG23 VAL 98 1.748 -2.618 3.522 367 3HG2 VAL 98 HG21 VAL 98 2.893 -3.300 2.214 368 H PHE 99 HN PHE 99 3.602 1.392 1.979 369 HA PHE 99 HA PHE 99 4.504 2.464 4.459 370 1HB PHE 99 HB1 PHE 99 5.784 3.371 1.807 371 2HB PHE 99 HB2 PHE 99 5.572 4.481 3.074 372 HD1 PHE 99 HD1 PHE 99 6.992 1.280 1.807 373 HD2 PHE 99 HD2 PHE 99 7.148 3.764 5.296 374 HE1 PHE 99 HE1 PHE 99 9.209 0.441 2.395 375 HE2 PHE 99 HE2 PHE 99 9.427 3.148 5.643 376 HZ PHE 99 HZ PHE 99 10.581 1.863 3.878 377 H ARG 100 HN ARG 100 3.690 4.711 4.696 378 HA ARG 100 HA ARG 100 1.643 5.521 2.649 379 1HB ARG 100 HB1 ARG 100 0.302 5.200 4.266 380 2HB ARG 100 HB2 ARG 100 1.592 5.426 5.496 381 1HG ARG 100 HG1 ARG 100 1.769 7.741 5.238 382 2HG ARG 100 HG2 ARG 100 0.502 7.759 3.970 383 1HD ARG 100 HD1 ARG 100 -0.996 6.582 5.835 384 2HD ARG 100 HD2 ARG 100 0.294 6.934 6.941 385 HE ARG 100 HE ARG 100 -1.333 9.039 5.314 386 1HH1 ARG 100 HH22 ARG 100 1.397 8.547 7.442 387 2HH1 ARG 100 HH21 ARG 100 1.531 10.246 7.820 388 1HH2 ARG 100 HH12 ARG 100 -1.484 11.108 6.230 389 2HH2 ARG 100 HH11 ARG 100 -0.125 11.707 7.144 390 H LEU 101 HN LEU 101 2.078 7.431 1.758 391 HA LEU 101 HA LEU 101 4.814 8.075 1.808 392 1HB LEU 101 HB1 LEU 101 2.382 9.571 0.522 393 2HB LEU 101 HB2 LEU 101 4.076 10.012 0.184 394 HG LEU 101 HG LEU 101 2.702 7.366 -0.535 395 1HD1 LEU 101 HD23 LEU 101 2.226 9.388 -1.982 396 2HD1 LEU 101 HD21 LEU 101 3.979 9.416 -2.396 397 3HD1 LEU 101 HD22 LEU 101 2.983 7.963 -2.806 398 1HD2 LEU 101 HD12 LEU 101 5.628 8.056 -0.387 399 2HD2 LEU 101 HD13 LEU 101 4.758 6.494 -0.136 400 3HD2 LEU 101 HD11 LEU 101 5.057 7.169 -1.819 401 H LEU 102 HN LEU 102 5.589 10.437 1.954 402 HA LEU 102 HA LEU 102 5.012 11.331 4.471 403 1HB LEU 102 HB1 LEU 102 6.648 12.913 4.249 404 2HB LEU 102 HB2 LEU 102 7.225 11.401 3.661 405 HG LEU 102 HG LEU 102 6.360 13.929 2.090 406 1HD1 LEU 102 HD21 LEU 102 8.628 13.960 2.967 407 2HD1 LEU 102 HD22 LEU 102 8.996 12.413 2.124 408 3HD1 LEU 102 HD23 LEU 102 8.592 13.894 1.160 409 1HD2 LEU 102 HD13 LEU 102 7.014 11.173 0.888 410 2HD2 LEU 102 HD11 LEU 102 5.432 12.092 0.764 411 3HD2 LEU 102 HD12 LEU 102 6.904 12.718 -0.029 412 H HIS 103 HN HSP 103 2.705 11.774 4.497 413 HA HIS 103 HA HSP 103 2.012 14.301 3.190 414 1HB HIS 103 HB1 HSP 103 0.428 12.451 5.020 415 2HB HIS 103 HB2 HSP 103 -0.194 13.980 4.308 416 HD1 HIS 103 HD1 HSP 103 -1.325 11.043 3.752 417 HD2 HIS 103 HD2 HSP 103 1.061 13.363 1.174 418 HE1 HIS 103 HE1 HSP 103 -1.897 10.389 1.384 419 HE2 HIS 103 HE2 HSP 103 -0.490 11.806 -0.151 420 H GLU 104 HN GLU 104 3.513 13.088 6.077 421 HA GLU 104 HA GLU 104 3.695 15.827 7.043 422 1HB GLU 104 HB1 GLU 104 2.889 15.785 9.106 423 2HB GLU 104 HB2 GLU 104 1.581 15.314 8.017 424 1HG GLU 104 HG1 GLU 104 3.301 13.362 9.721 425 2HG GLU 104 HG2 GLU 104 1.684 13.985 10.137 426 H HIS 105 HN HSP 105 5.491 13.750 5.867 427 HA HIS 105 HA HSP 105 7.264 13.539 8.217 428 1HB HIS 105 HB1 HSP 105 8.069 11.599 6.201 429 2HB HIS 105 HB2 HSP 105 7.897 11.412 7.934 430 HD1 HIS 105 HD1 HSP 105 4.958 11.472 8.450 431 HD2 HIS 105 HD2 HSP 105 6.564 9.660 5.035 432 HE1 HIS 105 HE1 HSP 105 3.274 9.766 7.642 433 HE2 HIS 105 HE2 HSP 105 4.238 8.762 5.536 434 H LYS 106 HN LYS 106 9.635 13.633 7.433 435 HA LYS 106 HA LYS 106 9.802 15.053 4.841 436 1HB LYS 106 HB1 LYS 106 10.282 16.429 6.837 437 2HB LYS 106 HB2 LYS 106 11.482 15.214 7.375 438 1HG LYS 106 HG1 LYS 106 12.590 17.084 6.316 439 2HG LYS 106 HG2 LYS 106 12.841 15.659 5.324 440 1HD LYS 106 HD1 LYS 106 11.176 16.382 3.659 441 2HD LYS 106 HD2 LYS 106 10.583 17.684 4.726 442 1HE LYS 106 HE1 LYS 106 11.968 18.661 2.983 443 2HE LYS 106 HE2 LYS 106 12.828 18.827 4.568 444 1HZ LYS 106 HZ2 LYS 106 14.091 16.857 3.995 445 2HZ LYS 106 HZ3 LYS 106 13.291 16.743 2.502 446 3HZ LYS 106 HZ1 LYS 106 14.283 18.081 2.834 447 H GLY 107 HN GLY 107 10.856 13.967 3.326 448 1HA GLY 107 HA2 GLY 107 12.644 12.941 2.452 449 2HA GLY 107 HA1 GLY 107 13.225 12.477 4.079 450 H LYS 108 HN LYS 108 11.409 10.862 5.226 451 HA LYS 108 HA LYS 108 11.669 8.617 3.452 452 1HB LYS 108 HB1 LYS 108 12.068 9.248 6.226 453 2HB LYS 108 HB2 LYS 108 10.677 8.264 6.257 454 1HG LYS 108 HG1 LYS 108 13.339 7.621 4.713 455 2HG LYS 108 HG2 LYS 108 13.151 7.273 6.421 456 1HD LYS 108 HD1 LYS 108 11.063 5.808 5.753 457 2HD LYS 108 HD2 LYS 108 11.599 6.016 4.061 458 1HE LYS 108 HE1 LYS 108 13.884 5.027 4.820 459 2HE LYS 108 HE2 LYS 108 13.070 4.627 6.387 460 1HZ LYS 108 HZ1 LYS 108 11.318 3.578 4.888 461 2HZ LYS 108 HZ2 LYS 108 12.512 3.625 3.672 462 3HZ LYS 108 HZ3 LYS 108 12.773 2.753 5.110 463 H LYS 109 HN LYS 109 9.802 7.080 4.961 464 HA LYS 109 HA LYS 109 7.158 8.131 4.165 465 1HB LYS 109 HB1 LYS 109 8.718 5.806 3.127 466 2HB LYS 109 HB2 LYS 109 7.572 5.283 3.553 467 1HG LYS 109 HG1 LYS 109 7.255 7.892 1.849 468 2HG LYS 109 HG2 LYS 109 8.778 7.180 1.537 469 1HD LYS 109 HD1 LYS 109 6.206 5.584 1.091 470 2HD LYS 109 HD2 LYS 109 7.066 6.432 -0.156 471 1HE LYS 109 HE1 LYS 109 8.454 4.338 1.630 472 2HE LYS 109 HE2 LYS 109 7.566 3.881 0.115 473 1HZ LYS 109 HZ2 LYS 109 9.000 5.505 -1.038 474 2HZ LYS 109 HZ3 LYS 109 9.905 5.688 0.396 475 3HZ LYS 109 HZ1 LYS 109 9.826 4.174 -0.405 476 H ALA 110 HN ALA 110 5.478 6.740 5.169 477 HA ALA 110 HA ALA 110 6.403 6.130 7.919 478 1HB ALA 110 HB3 ALA 110 3.569 6.687 6.981 479 2HB ALA 110 HB1 ALA 110 4.032 6.027 8.608 480 3HB ALA 110 HB2 ALA 110 4.574 7.664 8.135 481 H ARG 111 HN ARG 111 6.552 3.919 8.442 482 HA ARG 111 HA ARG 111 6.032 2.236 6.114 483 1HB ARG 111 HB1 ARG 111 8.297 2.301 7.108 484 2HB ARG 111 HB2 ARG 111 7.609 1.850 8.680 485 1HG ARG 111 HG1 ARG 111 6.872 0.005 6.447 486 2HG ARG 111 HG2 ARG 111 8.594 0.121 6.689 487 1HD ARG 111 HD1 ARG 111 7.634 -0.037 9.343 488 2HD ARG 111 HD2 ARG 111 6.481 -1.055 8.487 489 HE ARG 111 HE ARG 111 9.543 -1.406 8.419 490 1HH1 ARG 111 HH22 ARG 111 6.466 -2.516 7.162 491 2HH1 ARG 111 HH21 ARG 111 7.218 -3.795 6.261 492 1HH2 ARG 111 HH12 ARG 111 10.474 -3.222 7.410 493 2HH2 ARG 111 HH11 ARG 111 9.457 -4.287 6.582 494 H LEU 112 HN LEU 112 4.883 0.408 6.229 495 HA LEU 112 HA LEU 112 2.877 0.434 8.416 496 1HB LEU 112 HB1 LEU 112 2.594 -0.342 5.470 497 2HB LEU 112 HB2 LEU 112 1.307 -0.401 6.681 498 HG LEU 112 HG LEU 112 2.798 2.145 5.963 499 1HD1 LEU 112 HD12 LEU 112 1.627 1.240 3.925 500 2HD1 LEU 112 HD13 LEU 112 0.082 1.216 4.855 501 3HD1 LEU 112 HD11 LEU 112 0.905 2.786 4.518 502 1HD2 LEU 112 HD23 LEU 112 0.238 1.769 7.512 503 2HD2 LEU 112 HD21 LEU 112 1.828 2.426 8.074 504 3HD2 LEU 112 HD22 LEU 112 0.840 3.343 6.867 505 H ASP 113 HN ASP 113 1.530 -1.671 8.037 506 HA ASP 113 HA ASP 113 3.472 -3.878 8.331 507 1HB ASP 113 HB1 ASP 113 1.902 -3.368 10.325 508 2HB ASP 113 HB2 ASP 113 0.546 -3.879 9.249 509 H TRP 114 HN TRP 114 2.800 -5.880 7.154 510 HA TRP 114 HA TRP 114 1.398 -5.432 5.063 511 1HB TRP 114 HB1 TRP 114 2.855 -7.776 6.419 512 2HB TRP 114 HB2 TRP 114 1.705 -8.336 5.193 513 HD1 TRP 114 HD1 TRP 114 4.976 -8.494 4.702 514 HE1 TRP 114 HE1 TRP 114 6.008 -7.178 2.675 515 HE3 TRP 114 HE3 TRP 114 0.921 -6.342 3.577 516 HZ2 TRP 114 HZ2 TRP 114 4.662 -5.798 0.403 517 HZ3 TRP 114 HZ3 TRP 114 0.530 -5.377 1.281 518 HH2 TRP 114 HH2 TRP 114 2.329 -5.229 -0.274 519 H ASN 115 HN ASN 115 0.088 -6.175 8.053 520 HA ASN 115 HA ASN 115 -2.502 -6.607 6.618 521 1HB ASN 115 HB1 ASN 115 -1.486 -7.325 9.418 522 2HB ASN 115 HB2 ASN 115 -3.217 -7.405 8.934 523 1HD2 ASN 115 HD21 ASN 115 -2.638 -10.151 6.592 524 2HD2 ASN 115 HD22 ASN 115 -3.470 -8.633 6.669 525 H THR 116 HN THR 116 -1.252 -4.156 6.774 526 HA THR 116 HA THR 116 -1.577 -3.045 9.180 527 HB THR 116 HB THR 116 0.003 -2.342 7.158 528 HG1 THR 116 HG1 THR 116 -0.727 -0.677 9.302 529 1HG2 THR 116 HG22 THR 116 -2.311 -0.754 6.579 530 2HG2 THR 116 HG23 THR 116 -1.294 0.329 7.563 531 3HG2 THR 116 HG21 THR 116 -0.611 -0.399 6.054 532 H ASP 117 HN ASP 117 -4.052 -3.585 7.120 533 HA ASP 117 HA ASP 117 -6.235 -2.798 6.904 534 1HB ASP 117 HB1 ASP 117 -6.169 -2.793 9.336 535 2HB ASP 117 HB2 ASP 117 -5.500 -1.174 9.297 536 H ALA 118 HN ALA 118 -5.680 -1.996 4.810 537 HA ALA 118 HA ALA 118 -4.458 0.591 4.341 538 1HB ALA 118 HB3 ALA 118 -6.387 -1.311 2.794 539 2HB ALA 118 HB1 ALA 118 -5.285 -0.027 2.062 540 3HB ALA 118 HB2 ALA 118 -4.631 -1.512 2.830 541 H ALA 119 HN ALA 119 -7.578 -0.496 5.460 542 HA ALA 119 HA ALA 119 -9.183 1.683 4.421 543 1HB ALA 119 HB2 ALA 119 -8.973 -0.653 6.457 544 2HB ALA 119 HB3 ALA 119 -10.356 0.536 6.671 545 3HB ALA 119 HB1 ALA 119 -10.193 -0.447 5.167 546 H SER 120 HN SER 120 -6.698 1.381 6.905 547 HA SER 120 HA SER 120 -7.795 3.706 8.327 548 1HB SER 120 HB1 SER 120 -6.797 1.805 9.637 549 2HB SER 120 HB2 SER 120 -5.225 2.142 8.850 550 HG SER 120 HG1 SER 120 -5.720 4.415 9.635 551 H LEU 121 HN LEU 121 -5.781 2.920 5.648 552 HA LEU 121 HA LEU 121 -4.283 5.484 5.893 553 1HB LEU 121 HB1 LEU 121 -3.775 3.151 3.973 554 2HB LEU 121 HB2 LEU 121 -2.779 4.549 4.182 555 HG LEU 121 HG LEU 121 -1.596 2.965 5.458 556 1HD1 LEU 121 HD21 LEU 121 -3.558 4.158 7.501 557 2HD1 LEU 121 HD22 LEU 121 -1.964 3.369 7.881 558 3HD1 LEU 121 HD23 LEU 121 -2.065 4.921 6.929 559 1HD2 LEU 121 HD11 LEU 121 -4.334 1.803 6.005 560 2HD2 LEU 121 HD12 LEU 121 -2.814 0.997 5.509 561 3HD2 LEU 121 HD13 LEU 121 -3.066 1.544 7.241 562 H ILE 122 HN ILE 122 -6.838 4.188 4.922 563 HA ILE 122 HA ILE 122 -7.268 4.716 2.380 564 HB ILE 122 HB ILE 122 -8.982 3.848 4.231 565 1HG1 ILE 122 HG11 ILE 122 -10.800 3.947 2.434 566 2HG1 ILE 122 HG12 ILE 122 -9.468 4.573 1.393 567 1HG2 ILE 122 HG23 ILE 122 -9.679 6.072 5.065 568 2HG2 ILE 122 HG21 ILE 122 -10.277 6.474 3.384 569 3HG2 ILE 122 HG22 ILE 122 -11.047 5.157 4.286 570 1HD1 ILE 122 HD1 ILE 122 -8.236 2.404 2.528 571 2HD1 ILE 122 HD2 ILE 122 -9.971 1.834 2.217 572 3HD1 ILE 122 HD3 ILE 122 -8.974 2.487 0.904 573 H GLY 123 HN GLY 123 -8.010 6.261 1.054 574 1HA GLY 123 HA2 GLY 123 -8.132 8.334 0.181 575 2HA GLY 123 HA1 GLY 123 -8.427 8.924 1.852 576 H GLU 124 HN GLU 124 -5.456 7.138 1.116 577 HA GLU 124 HA GLU 124 -3.968 9.704 1.270 578 1HB GLU 124 HB1 GLU 124 -3.080 6.990 2.310 579 2HB GLU 124 HB2 GLU 124 -2.236 8.541 2.481 580 1HG GLU 124 HG1 GLU 124 -5.083 8.183 3.608 581 2HG GLU 124 HG2 GLU 124 -3.700 7.468 4.445 582 H GLU 125 HN GLU 125 -1.473 8.276 0.913 583 HA GLU 125 HA GLU 125 -1.763 7.115 -1.790 584 1HB GLU 125 HB1 GLU 125 0.170 9.317 -1.010 585 2HB GLU 125 HB2 GLU 125 0.479 8.185 -2.346 586 1HG GLU 125 HG1 GLU 125 -0.974 9.028 -3.801 587 2HG GLU 125 HG2 GLU 125 -2.226 9.314 -2.583 588 H LEU 126 HN LEU 126 -0.814 5.167 -1.799 589 HA LEU 126 HA LEU 126 1.054 4.689 0.394 590 1HB LEU 126 HB1 LEU 126 -0.479 2.619 -1.271 591 2HB LEU 126 HB2 LEU 126 0.778 2.208 -0.140 592 HG LEU 126 HG LEU 126 -2.041 2.918 0.443 593 1HD1 LEU 126 HD22 LEU 126 -0.985 0.712 1.001 594 2HD1 LEU 126 HD23 LEU 126 0.153 1.559 2.122 595 3HD1 LEU 126 HD21 LEU 126 -1.620 1.570 2.460 596 1HD2 LEU 126 HD12 LEU 126 0.130 4.055 2.294 597 2HD2 LEU 126 HD13 LEU 126 -1.150 5.007 1.347 598 3HD2 LEU 126 HD11 LEU 126 -1.603 3.908 2.666 599 H GLN 127 HN GLN 127 2.926 3.291 -0.068 600 HA GLN 127 HA GLN 127 3.606 3.080 -2.895 601 1HB GLN 127 HB1 GLN 127 4.625 5.306 -2.023 602 2HB GLN 127 HB2 GLN 127 5.640 4.298 -0.975 603 1HG GLN 127 HG1 GLN 127 5.935 3.174 -3.614 604 2HG GLN 127 HG2 GLN 127 5.776 4.961 -3.903 605 1HE2 GLN 127 HE21 GLN 127 9.275 3.708 -2.402 606 2HE2 GLN 127 HE22 GLN 127 8.035 2.577 -2.829 607 H VAL 128 HN VAL 128 5.356 1.479 -3.172 608 HA VAL 128 HA VAL 128 5.659 -0.208 -0.747 609 HB VAL 128 HB VAL 128 5.476 -0.971 -3.687 610 1HG1 VAL 128 HG11 VAL 128 6.356 -2.686 -1.284 611 2HG1 VAL 128 HG12 VAL 128 5.893 -3.324 -2.909 612 3HG1 VAL 128 HG13 VAL 128 7.339 -2.282 -2.766 613 1HG2 VAL 128 HG23 VAL 128 3.310 -0.824 -2.471 614 2HG2 VAL 128 HG21 VAL 128 3.725 -2.487 -2.985 615 3HG2 VAL 128 HG22 VAL 128 3.937 -2.007 -1.235 616 H ASP 129 HN ASP 129 7.756 -0.959 -0.303 617 HA ASP 129 HA ASP 129 9.828 -0.091 -2.160 618 1HB ASP 129 HB1 ASP 129 9.306 1.379 0.254 619 2HB ASP 129 HB2 ASP 129 10.755 0.337 0.613 620 H PHE 130 HN PHE 130 12.033 -0.905 -0.556 621 HA PHE 130 HA PHE 130 11.686 -3.675 -0.846 622 1HB PHE 130 HB1 PHE 130 13.922 -1.977 -0.661 623 2HB PHE 130 HB2 PHE 130 13.980 -2.823 0.914 624 HD1 PHE 130 HD1 PHE 130 13.566 -3.295 -2.819 625 HD2 PHE 130 HD2 PHE 130 14.872 -5.085 0.842 626 HE1 PHE 130 HE1 PHE 130 14.331 -5.274 -4.040 627 HE2 PHE 130 HE2 PHE 130 15.625 -7.054 -0.394 628 HZ PHE 130 HZ PHE 130 15.348 -7.164 -2.838 629 H LEU 131 HN LEU 131 12.263 -5.190 0.973 630 HA LEU 131 HA LEU 131 10.293 -5.126 2.655 631 1HB LEU 131 HB1 LEU 131 11.879 -6.809 4.167 632 2HB LEU 131 HB2 LEU 131 11.054 -7.314 2.621 633 HG LEU 131 HG LEU 131 13.131 -6.673 1.359 634 1HD1 LEU 131 HD21 LEU 131 14.269 -6.520 4.228 635 2HD1 LEU 131 HD22 LEU 131 15.281 -6.820 2.760 636 3HD1 LEU 131 HD23 LEU 131 14.389 -5.274 2.919 637 1HD2 LEU 131 HD11 LEU 131 12.535 -8.982 1.777 638 2HD2 LEU 131 HD12 LEU 131 14.318 -8.708 1.806 639 3HD2 LEU 131 HD13 LEU 131 13.411 -8.940 3.356 640 H ASP 132 HN ASP 132 13.211 -3.711 3.116 641 HA ASP 132 HA ASP 132 14.206 -2.485 4.801 642 1HB ASP 132 HB1 ASP 132 12.155 -1.179 3.793 643 2HB ASP 132 HB2 ASP 132 11.306 -1.586 5.330 No H/Q in entry = 643
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